formula
stringlengths 1
25
| smiles
stringlengths 1
660
|
|---|---|
C22H22ClNO4
|
CCOCCCN1COC2=CC=C3C(=O)C(C4=CC=C(Cl)C=C4)=COC3=C2C1
|
C27H25ClN4O8
|
COC1=CC(C2C3=C(C[C@@H](C)[C@]4(OC5=C(Cl)C(OC)=CC(OC)=C5C4=O)C3=O)NC3=NC=NN32)=CC(OC)=C1O
|
C42H78O15
|
CC(C)(C)CC(C)(C)C1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C1
|
C27H33N2O5.ClH
|
CC[C@H]1[C@@H]2CC3[C@@H]4N(C)C5=CC=CC=C5C45C[C@@H](C2[C@@H]5O)[N+]3(CC2=CC=C(C(=O)OC)O2)[C@@H]1O.[Cl-]
|
C13H19BrO3
|
CCC[C@@H](C(=O)OC)C1=C(Br)C(=C(C)C)OC1
|
C29H34N2O9
|
CCC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)C2=CC=CC(NC=O)=C2O)[C@@H](C)OC(=O)[C@@H]1CC1=CC=CC=C1
|
C21H25N2O4
|
COC(=O)[C@@]1(O)C[C@@]23C=CC[N+]4(O)CC[C@@]5(C6=CC=CC=C6N[C@]15[C@H]2C)[C@H]34
|
C18H18N4O4S3
|
O=S(=O)(N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC1=NC=CC(C2=CC=CS2)=N1)C1=CC=CS1
|
C44H54N4O4
|
C/C=C1\CN2[C@H]3C[C@@]45C6=CC=CC7=C6N(C[C@H]6[C@@H]8C[C@H]9[C@H]%10[C@@H](C[C@@H]([C@@H]8CO[C@@]76C)N9C)C6=CC=CC=C6N%10C)[C@H]4[C@@H]2CC1[C@]3(CC(=O)OC)[C@@H]5CO
|
C31H46ClNO4
|
COC1=CC=C(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C=C1Cl
|
C16H17N5O8
|
CC1=C(C(=O)NCCO[N+](=O)[O-])[C@@H](C2=CC=CC([N+](=O)[O-])=C2)C([N+](=O)[O-])=C(C)N1
|
C37H44N2O7
|
NCOC1=CC(CCC(=O)C[C@H](O)[C@@H]2C=C[C@H]3C[C@H](CC4=CC=CC=C4)[C@@H]2C2=CC(O)=C(O)C(OC4CCNCC4)=C23)=CC=C1O
|
C19H20N.BrH
|
CC1=C2C[N+](C)(C)CC2=CC2=CC=C3C=CC=CC3=C12.[Br-]
|
C22H24N4O4S
|
CC1=CC=CC(OC[C@@H]2CN(S(=O)(=O)C3=CN(C)N=C3)[C@H]3C4=CC=CC=C4OC[C@@H]23)=N1
|
C43H62O14
|
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(COC(=O)C6=CC(O)=C(O)C(O)=C6)[C@@H]5CC[C@]43C)[C@H]2C1
|
C24H28N2O10
|
C[C@@H]1O[C@@H](OC2=CC=CC3=NC4=C(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=CC=C4N=C23)[C@H](O)[C@H](O)[C@H]1O
|
C90H142N22O23
|
CC[C@@](C)(NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CC(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@@H](CO)NC(=O)C(C)(C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(C)=O)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CO)CC1=CNC2=CC=CC=C12
|
C42H58N4O7
|
CNC[C@@]1(OC2=CC3=CC(=C2O)N/C(NC)=N\C#CC[C@H]2CCC[C@@]2(CC2=CC=C(O)C(OC)=C2)C(=O)/C=C/[C@H](C(C)C)C3)CC[C@H](C[C@H](O)OC)C1
|
C13H21NO5
|
CC(O)CC(O)CC(=O)C1=C(O)[C@@H](C(C)C)NC1=O
|
C8H14N2O5
|
CC(=O)N[C@H]1NC[C@H](C(=O)O)[C@H](O)[C@@H]1O
|
C27H27N7O7S
|
CO/C(=C\C1=CC=C(O)C=C1)C(=O)O[C@@H]1[C@H](OC(=O)/C=C/C2=CN=CN2)[C@@H](CSC)O[C@H]1N1C=NC2=C(N)N=CN=C21
|
C93H156O31
|
CO[C@H]1C[C@H](CC[C@H](C)[C@H](O)[C@H](C)[C@@H]2C[C@H](O)C[C@H](O)[C@H](C)[C@@H](OC)C[C@@H]3CC=C[C@@H](C[C@@H](O[C@H]4OC[C@H](OC)[C@@H](OC)[C@@H]4O)C/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]4C[C@H](OC)C[C@H](C)O4)C[C@H](O)C[C@H](O)[C@H](C)[C@@H](OC)C[C@@H]4CC=C[C@@H](C[C@@H](O[C@H]5OC[C@H](OC)[C@@H](OC)[C@@H]5OC(=O)[C@H](O)CO)C/C=C(C)/C=C/C(=O)O2)O4)O3)O[C@@H](C)C1
|
C21H18O8
|
COC(=O)COC1=CC(OCC(=O)OC)=C2C(=O)C=C(C3=CC=CC=C3)OC2=C1
|
C22H18O12
|
O=C(O)C[C@H](OC(=O)C1=CC2=CC(O)=C(O)C=C2[C@@H](C2=CC=C(O)C(O)=C2)[C@@H]1C(=O)O)C(=O)O
|
C26H38N6O3
|
CC(=O)N1CCC(N(C)[C@H]2C[C@H]3C(=O)NC4(CCN(CC5=CC=CN=C5)CC4)CC(=O)N3C2)CC1
|
C21H30ClN3O2
|
CC(C)(C)C(=O)N1CCN2[C@H](CN(C(=O)C3=CC=C(Cl)C=C3)CC2(C)C)C1
|
C29H36N6O6
|
COC1=CC2=C(C3=CC=C(N[C@@H](CC(C)C)C(=O)NC4=NNC=N4)C(=O)C=C3[C@@H](NC(C)=O)CC2)C(OC)=C1OC
|
C19H20ClN5O4S
|
COC1=CC=C(Cl)C=C1NC(=O)CSC1=NC2=C(N=CNC2=O)N1C[C@@H]1CCCO1
|
C27H41ClNO2
|
CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C(Cl)=C1
|
C22H17N5O2
|
COC1=CC=C2C(OCC3=NN=C4C=CC(C5=CC=CC=C5)=NN34)=CC=NC2=C1
|
C43H46N4O8
|
C/C=C(/C)C(=O)O[C@@H]1CC2=C3O[C@@]1(C)[C@H](CC1=CC=C(NCC)N=C1)CCC1=C(N)N=CC=C1[C@H](CC1=CC=CC(O)=C1)C3=C1OC(CO)=CC(=O)C1=C2O
|
C16H14Cl2N2O2
|
CN[C@@H]1CC2=C(Cl)NC3=C2C(=CC=C3Cl)[C@@]12C=C(C)C(=O)O2
|
C33H49NO4
|
C=CC(C)(C)N1C(=O)[C@@H](C[C@@H]2CC[C@H]3[C@](C)(CC[C@H](O)C(C)(C)O)[C@@H](O)CC[C@]3(C)C2=C)C2=CC=CC=C21
|
C42H57N5O9
|
CC[C@H](C)[C@H]1C(=O)N[C@@H](CC2=CC=C(OCC=C(C)C)C=C2)C(=O)N(C)[C@@H](C)C(=O)O[C@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N1C
|
C39H64O12
|
C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
|
C21H25N7O5
|
COC1=CC=CC(NC(=O)N[C@H]2CCN(C(=O)C3=CN=CC=N3)[C@@H]2C(=O)N(C)CC(N)=O)=C1
|
C48H57Br8N7O10
|
CNCCC1=CC(Br)=C(OCCCNC(=O)N(C)CCC2=CC(Br)=C(OCCCNC(=O)N(C)CCC3=CC(Br)=C(OCCCNC(=O)C4=NO[C@]5(CC(Br)=C(OC)C(Br)=CO5)[C@@H]4O)C(Br)=C3)C(Br)=C2)C(Br)=C1
|
C35H44N4O8S
|
CC[C@@H](C)[C@H](NC1=CC=C2C(=CC1=O)[C@@H](NC(C)=O)CCC1=CC(OC)=C(OC)C(OC)=C12)C(=O)NC1=NC(C(=O)OC)=C(C(C)C)S1
|
C20H37N3O8
|
CC(C)NC(=O)C[C@@H]1O[C@H](CNC[C@H]2O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
|
C21H42O2
|
CCCCCCCCC(CCCCCCCC)COC(=O)CC
|
C23H24N2O9S
|
C[C@@]1(O)CC[C@]2([C@]3(C(=O)O)CO3)CC(=O)ON=C([C@H]3CO3)C3=NC(=CO3)/C=C\C=C/C(=O)C[C@@H]1S2
|
C46H60N6O4
|
C[C@@H]1N[C@H](CC[C@H]2C[C@@H]3C[C@@H]4CC[C@@](O)(CC(=O)O)CN[C@@]5(C)C[C@@H](CC6=CC=CC(=C6)[C@H]2C2=CC=C6C=CC=C4C6=C23)N[C@H](N)C5)[C@@H](N2C=CN=C2)C[C@H]1O
|
C35H62O15
|
CC[C@H](C)[C@@H](O)C(=O)O[C@@H](C(=O)O[C@@H](C(=O)O[C@@H](C(=O)O[C@@H](C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)CO)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC
|
C41H57NO12
|
C=C[C@@H]1[C@H](CC(=O)O)C(C(=O)OC)=CC2(CCCC2)[C@H]1O[C@]1(CO)O[C@H](CO)[C@]23OC(CCCO)=C4NC([C@H](C)C5CCCC5)=CC4=C2CC[C@@]1(O)[C@H]3O
|
C59H68N4O7S2
|
N[C@@H]1NC[C@@]23CSSCC4=C(CCC(=O)C[C@H](O)[C@@H]5C=C[C@@H](C6CCCCC6)C[C@H]5O)C(O)=CC5=C4O[C@H]4[C@@H](C#C[C@H](O)C6=CC=C1C2=C6[C@@H](C1=CNC2=CN4C=C12)C1(CCCC1)C3)C1(C#CO5)CCCC1
|
C51H60N4O7S2
|
CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2C4CC[C@@]5(C6=CC[C@@H](C7CCCCC7)[C@H](NC[C@H](C)O)SS[C@@H]7C=CC8=C(C=CN=C8N7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@@H]32)CCCC1
|
C25H31NO3
|
COC1=CC=C([C@H]2CNC(=O)[C@H](CC3=CC=CC(C)=C3)C2)C=C1OC1CCCC1
|
C24H44N6O2
|
CCCCCCCCCCC[C@@H]1N=C(N)N2CCCC2=C1C(=O)OCCCCN/C=N/N
|
C31H46O7S2
|
CC1(C)CCC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@]5(C)C6=C(C[C@@H]45)C(S(=O)(=O)O)=CC(O)=C6S(=O)(=O)O)[C@]3(C)CC[C@@H]12
|
C7H6O2S
|
CC(=O)C(=O)C1=CC=CS1
|
C14H14N6OS2
|
CC1=CSC(NC(=O)C2=CC(SC3=NN=CN3C)=CC=C2N)=N1
|
C13H11Br2NO
|
NC1=C(Br)C=C(Br)C=C1[C@H](O)C1=CC=CC=C1
|
C6H10ClNO2
|
C/C(Cl)=C/C[C@H](N)C(=O)O
|
C54H101N23O14
|
NCCCCNC(=O)[C@H](CC[C@H](O)CN)NC(=O)/C(=C/CCN=C(N)N)NC(=O)[C@H](CC[C@H](O)CN)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN
|
C34H34O15
|
CCOC(=O)OC1=CC(C)=C(C(=O)OC2=CC(C)=C(C(=O)OC3=CC(C)=C(C=O)C(OC(=O)OCC)=C3)C(OC(=O)OCC)=C2)C(OC)=C1
|
C21H13N5O4
|
O=C1C=C(C2=CC=CC=C2)N2C(C3=CC=CO3)=NN(C3=CC=C([N+](=O)[O-])C=C3)C2=N1
|
C44H80O8
|
CCCCCC[C@@H](O)CCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CC[C@@H](O)[C@H]2CC[C@H](CCCCCCCCCCCCCCCCC3=C[C@H](C)OC3=O)O2)O1
|
C32H32O16
|
COC1=CC(C(=O)OC[C@H]2O[C@@H](OC3=CC4=C(C(O)=C3OC)C(=O)C(C3=CC(O)=C(OC)C(OC)=C3)=CO4)[C@H](O)[C@@H](O)[C@@H]2O)=CC=C1O
|
C65H79N3O7S2
|
CC[C@H]1CC2=CC(O)=C(O[C@H]3C[C@@H](CC4=CC=CN4)C4=CC=NC(N)=C4CSSC[C@H](CO)[C@@H]3O)C=C2[C@@H]2C[C@@H](O)[C@H]3[C@H](C#C[C@]4(CCCC[C@@H]3O)C[C@H](C3=CC=CC=C3)[C@H]3CC5=CC=CC=C5CCC[C@H]3[C@@H]4CO)C=C12
|
C9H18O7
|
C[C@H]1O[C@H](OC(CO)CO)[C@H](O)[C@@H](O)[C@H]1O
|
C81H92N10O9
|
CN[C@@H]1C2=C3C=CC=C2[C@@H]2CC4(CCCC4)[C@@](CC4=CC=NC(N)=C4)(CNC4=N[C@@H](N5C=C6C=CNC6=C5)[C@@H]5[C@H](O)N[C@H]6CCCC[C@@H]6C#CC[C@]6([C@H]7C[C@@H](OC(C)=O)C[C@@H](C8=CC(O)=C(O)C(OCCC9=CC=CN=C9)=C8)O7)CC#C[C@@H]7[C@@H](C[C@H](C3)C[C@@]57N4)OC3=C(O)C=CC(=C3)C6)[C@@H]12
|
C23H28ClN3O4S
|
CC(C)(C)CC(=O)N1C[C@H]2C[C@H](C1)C1=CC=C(NS(=O)(=O)C3=CC=C(Cl)C=C3)C(=O)N1C2
|
C38H55Br4N3O6
|
CCCCCCC(C)CCCCCCCCC(=O)NCCC1=CC(Br)=C(OCCCNC(=O)C2=NO[C@]3(C=C(Br)C(OC)=C(Br)[C@@H]3O)C2)C(Br)=C1
|
C25H30Cl2O5
|
CC(C)=CCC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)C1=C(O)C=C(O)C=C1C2=O
|
C4H5NO3
|
O=C1CCC(=O)N1O
|
C25H27N7O2S
|
CN(CC1=CC=CC=C1)CC1=CN([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=S)NC2=CC=CC(C#N)=C2)N=N1
|
C13H20Cl5NO3
|
COC(=O)[C@@H](C[C@H](C)C(Cl)Cl)N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl
|
C28H33NO2
|
CC1=CC2=C(NC3=C([C@]4(C)CC[C@@]5(C(C)C)C[C@H]54)C(O)=CC=C32)C2=C1OC(C)(C)C=C2
|
C53H59N3O8S2
|
NC(N)C1=CC2=C3C=C1CSSCC14CC5C=C[C@]1(O)C[C@@](/C=C/C(=O)CCC1=CC(=C(O)C=C1)OCCC1=CC(=C(O)C=C1)[C@H]3CC(=O)C1=C(CC#C2)NC=C1)(C4)[C@@H]5CCC[C@H](O)CO
|
C55H81N7O12
|
CCCCCC/C=C\CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](C(=O)N[C@@H](CO)[C@@H](O)CC(=O)N[C@H](C(=O)N[C@@H]1/C=C\C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC2=CC=C(O)C=C2)C(=O)OC1)C(C)C)C(C)C
|
C54H74N10O14
|
CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC(=O)/C=C/C2=CC=CC=C2/C=C/C(=O)O)[C@@H](C)OC1=O
|
C18H19NO7
|
COC1=CC=CC(OCC(=O)NC2=CC(OC)=C(OC)C=C2C(=O)O)=C1
|
C48H52N4O6
|
C[C@@H]1C=C[C@H]([C@@H](O)CC(=O)CCC2=CC=C3OC#CC4(CCCC4)[C@H]4C#C[C@H](O)C5=CC=C6C7=C5[C@@H](CC[C@H]7CN[C@H]6N)C5=CNC6=CN(C=C56)[C@H]4OC3=C2)[C@@H](O)C1
|
C14H15NO7S
|
COC(=O)[C@@H]1CS(=O)(=O)[C@H]2C3=CC=C(OC)C(OC)=C3C(=O)N12
|
C66H77N3O9S4
|
NC(N)C1=CC2=C3C=C1CSSC[C@@H]1C[C@@]4(/C=C/C(=O)CCC5=CC(=C(O)C=C5)OCCC5=CC(=C(O)C=C5)[C@@H]3CC(=O)C3=C(CC#C2)NC=C3)CC[C@@H]2C[C@](O)(CO)CCC[C@H]3[C@@H]2CC2=CC=CC=C2[C@H](CO)[C@@H]3CSSC[C@@]1(O)C4
|
C26H46O9
|
CCCCCCC[C@@H]1CC(=O)OC[C@H]2O[C@@H](O[C@H](CCCCCCC)CC(=O)O1)[C@H](O)[C@@H](O)[C@@H]2O
|
C52H86O19
|
C/C=C/C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5C[C@@H](O)[C@@H]6[C@@H]([C@](C)(CCC=C(C)C)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
|
C36H52O11S2
|
COC1=CC(C[C@H]2[C@H](O)C[C@@H](OCO)CCC3=CC(O[C@H]4CCC5(CCCC5)C4)=C(O)C=C3[C@H](CCO)SSC[C@@H]2O)=CC(OCO)=C1O
|
C33H58N2O3.2BrH
|
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)[C@@H]([N+]5(C)CCCCC5)C[C@@H]34)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1.[Br-].[Br-]
|
C42H51NO9
|
C/C=C1/C[C@@H](C2=CC(CO)=CC(NC[C@H](O)C3CCCCC3)=C2)C#C[C@H]2CC(=O)OC3=CC(O)=C(C=C32)C[C@H]([C@@](C)(O)C2CCC(=O)CC2)OC1=O
|
C43H74N4O12
|
CCCCCC1OC(=O)[C@H](C)N(C)C(=O)C(CCCCC)OC(=O)[C@@H](C)N(C)C(=O)C(CCCCC)OC(=O)[C@H](C)N(C)C(=O)C(CCCCC)OC(=O)[C@@H](C)NC1=O
|
C26H21ClN2O6
|
COC1=CC(OC)=C2C(=O)[C@@]3(OC2=C1Cl)C(=O)/C(=C\NC1=CC=CC2=CC=CN=C12)C(=O)C[C@H]3C
|
C51H78N8O8S
|
C#CCCCCCC(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](CC1=CC=C(OC)C=C1)C(=O)N(C)CC1=NC=CS1)C(C)C)C(C)C)C(C)C
|
C42H67N3O8
|
CC(C)CCC[C@@H]1CO[C@@H]([C@@H](O)[C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4/C(=N/C[C@H](C)O)C(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(CCC5=CC=C(N)N=C5)[C@H]4CC[C@]23C)[C@H]1C
|
C77H126N14O18
|
C/C=C1\NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)CCC[C@H](O)CC(C)C)C(C)C)C(C)C)C(C)C)[C@H](C)CC)[C@@H](C)OC(=O)[C@@H](C(C)C)NC1=O
|
C6H10N2
|
C1C[C@H]2CC[C@@H]1N=N2
|
C34H51N5O7
|
CCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O1
|
C24H19N3O4S
|
CC1=CC=C2OC(C3=CC(NC(=O)CCN4C(=S)OC5=CC=CC=C54)=CC=C3O)=NC2=C1
|
C35H50O3
|
CC(=O)CC[C@H](C1=CC(C[C@@H]2C[C@H]3C(C)(C)CCC[C@]3(C)C3=CC(O)=C(C(C)C)C=C32)=CC=C1O)C(C)C
|
C26H48N2O6
|
CC[C@@H]1CCC[C@H](C)CC[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](NC(C)=O)[C@H]2O)[C@H](CC)CCCNC1=O
|
C12H22N2O7S
|
CS(=O)(=O)NC[C@H]1O[C@@H](CC(=O)N2CCOCC2)[C@H](O)[C@@H]1O
|
C35H52O2
|
CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@]4(C[C@H]5C[C@]4(C)C4=C5[C@@H](C)CC[C@H]5[C@@H](C(C)C)CC[C@]5(C)C4)[C@H]3C[C@@H]12
|
C26H40N7O19P3S
|
C=C(CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O)C(=O)O
|
C14H16Cl3N3O2
|
O=CNC(N1C[C@@H]2C[C@@H](C1)C1=CC=CC(=O)N1C2)C(Cl)(Cl)Cl
|
C48H76O22S
|
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OS(=O)(=O)O)[C@@](C)(C=O)[C@@H]5CC[C@]43C)[C@@H]2C1
|
C30H28BrN3O4
|
COC1=CC=C(CCN2CC(=O)N3C(C4=CC=CC(Br)=C4)C4=C(C[C@H]3C2=O)C2=CC=CC=C2N4)C=C1OC
|
C40H60N2O5S2
|
C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](N2C=CN=C2)CSSC[C@H]2C[C@H]1[C@@]1(C)CC[C@H]3C(=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]43C)[C@]21O
|
C30H24N4O10
|
O=C(OC[C@H]1O[C@](O)(COC(=O)C2=CC=CN=C2)[C@@H](OC(=O)C2=CC=CN=C2)[C@@H]1OC(=O)C1=CC=CN=C1)C1=CC=CN=C1
|
C45H56N4O5S2
|
CC#CC1=CC=C(C2=CC=C(C(=O)[C@H]3CC[C@@H]4CC35C[C@@H]([C@H](O)CO)[C@@H](C5)C3(C#CC5=C(C=C(O)C=C5NC[C@H](C)O)C[C@H]4NC(=N)NC)CCCCC3)S2)S1
|
C55H68N2O14
|
CCOC(=O)C1=C(C=O)C2=C3C[C@@H](CO)C(=O)[C@H](C3)C3=CC4=C(C=C3CC[C@@H](CO)COC3=C2C(=C(CO)C2=C3C[C@]3(C=C[C@@H](CCO)[C@@H]5[C@@H](CO)C[C@@H]6CN(CCCOC)CC[C@@H]6[C@]53O)O2)O1)NC=C4
|
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