smiles
large_stringlengths 5
271
| zinc_id
int64 213
2.38B
| SELFIES
stringlengths 13
1.1k
|
|---|---|---|
CCN(CC)C(=O)C1CCN(C(=O)C2(CCOC)CCCC2)CC1
| 151,315,072 |
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][O][C][C][C][C][C][Ring1][=Branch2][C][C][Ring1][P]
|
COC[C@]1(C(=O)OC)CCCN1C[C@@H](O)C[C@@]1(O)CCOC1
| 931,055,953 |
[C][O][C][C@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][C][N][Ring1][=Branch2][C][C@@H1][Branch1][C][O][C][C@@][Branch1][C][O][C][C][O][C][Ring1][=Branch1]
|
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)NCCc4nnnn4C)[C@@H]1[C@H]3C2
| 673,000,038 |
[C][O][C@@H1][C@H1][C][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=N][N][=N][N][Ring1][Branch1][C][C@@H1][Ring2][Ring1][C][C@H1][Ring1][S][C][Ring2][Ring1][Ring1]
|
Cc1ccc(C)n1[C@@H](C)C(=O)N(C)CCNC(=O)C1CC2(CCC2)C1
| 1,387,984,304 |
[C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][#Branch1]
|
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NCC1C[C@@H](C)O[C@H](C)C1
| 239,637,006 |
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][C][C][O][C@H1][Branch1][C][C][C][Ring1][Branch2]
|
CNCc1cnc(N2CC(F)(F)C2)c(F)c1
| 1,986,113,151 |
[C][N][C][C][=C][N][=C][Branch1][=N][N][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N]
|
Cc1nccn1[C@H](C)CN[C@@H]1CCN[C@@H]2C[C@H]12
| 1,908,810,977 |
[C][C][=N][C][=C][N][Ring1][Branch1][C@H1][Branch1][C][C][C][N][C@@H1][C][C][N][C@@H1][C][C@H1][Ring1][#Branch1][Ring1][Ring1]
|
O=C(O)c1ccc2oc([C@@H]3C[C@H]3F)nc2n1
| 1,895,356,255 |
[O][=C][Branch1][C][O][C][=C][C][=C][O][C][Branch1][#Branch1][C@@H1][C][C@H1][Ring1][Ring1][F][=N][C][Ring1][=Branch2][=N][Ring1][=N]
|
N#Cc1ccc(C[C@H](C#N)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1
| 280,548,765 |
[N][#C][C][=C][C][=C][Branch2][Ring1][=N][C][C@H1][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C@H1][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1]
|
Cc1cn2nc(C(=O)O[C@@H]3CC[C@H]3C)cc2c(N2CCSCC2)n1
| 1,850,658,451 |
[C][C][=C][N][N][=C][Branch1][=N][C][=Branch1][C][=O][O][C@@H1][C][C][C@H1][Ring1][Ring2][C][C][=C][Ring1][=N][C][Branch1][=Branch2][N][C][C][S][C][C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1]
|
CCN[C@H]1COCC[C@@H]1Cc1cnsc1
| 1,960,083,850 |
[C][C][N][C@H1][C][O][C][C][C@@H1][Ring1][=Branch1][C][C][C][=N][S][C][=Ring1][Branch1]
|
C[C@@H](N)CCN1CCO[C@H](c2cccs2)C1
| 1,981,110,978 |
[C][C@@H1][Branch1][C][N][C][C][N][C][C][O][C@H1][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][O]
|
CC(C)(C)OC(=O)NC1CCN(C[C@@H](O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1
| 695,382,799 |
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][N][Branch1][P][C][C@@H1][Branch1][C][O][C@@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][C][Ring1][Branch1][C][C][Ring1][S]
|
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)C(=O)N[C@H](C)CCc3ccccc3)C2)no1
| 521,407,993 |
[C][C][C][=N][C][Branch2][Ring2][N][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C@@H1][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=N][O][Ring2][Ring1][=C]
|
C=C(C)CNC(=O)C(=O)Nc1ccc(OC)nc1C(F)(F)F
| 663,284,301 |
[C][=C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2][C][Branch1][C][F][Branch1][C][F][F]
|
Cc1ccc(OCCc2nc(-c3ccn(C)c(=O)c3)no2)c(C)c1
| 571,867,443 |
[C][C][=C][C][=C][Branch2][Ring1][O][O][C][C][C][=N][C][Branch1][#C][C][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][=N][O][Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1]
|
C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C
| 337,854,647 |
[C][C@H1][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C@@H1][Ring1][#Branch2][C]
|
Cc1ccc(/C=C/C(=O)Nc2nnn[nH]2)s1
| 4,667 |
[C][C][=C][C][=C][Branch1][#C][/C][=C][/C][=Branch1][C][=O][N][C][=N][N][=N][NH1][Ring1][Branch1][S][Ring1][#C]
|
O=C([C@@H]1CCC[C@H]1F)[C@]1(O)CN2CCC1CC2
| 2,006,746,220 |
[O][=C][Branch1][=Branch2][C@@H1][C][C][C][C@H1][Ring1][Branch1][F][C@][Branch1][C][O][C][N][C][C][C][Ring1][#Branch1][C][C][Ring1][=Branch1]
|
CC[C@@H]1CN(C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2N)CCO1
| 251,541,065 |
[C][C][C@@H1][C][N][Branch1][S][C][C@@H1][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C@@H1][Ring1][#Branch1][N][C][C][O][Ring1][#C]
|
C[C@]1(CNCC(F)(F)C(F)F)CCN1
| 1,912,959,740 |
[C][C@][Branch1][S][C][N][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][C][C][N][Ring1][=N]
|
COCCNC(=N)NC[C@@H]1CC[C@@H]1C1CC1
| 1,902,507,927 |
[C][O][C][C][N][C][=Branch1][C][=N][N][C][C@@H1][C][C][C@@H1][Ring1][Ring2][C][C][C][Ring1][Ring1]
|
O=C(CCCc1cccs1)NC1CCC(NC(=O)C(F)F)CC1
| 1,447,721,279 |
[O][=C][Branch1][O][C][C][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][F][F][C][C][Ring1][N]
|
O=C(CN1CCc2sccc2C1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3)C[C@@H]21
| 1,785,099,433 |
[O][=C][Branch1][#C][C][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][N][C][C@@H1][O][C][C@@H1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][=C][Ring1][P]
|
CC1(N/C(S)=C(/C(O)=c2ccc3c(c2)CCC(=O)N=3)[n+]2cc(O)cc(Cl)c2)CC1
| 789,410,171 |
[C][C][Branch2][Ring2][#C][N][/C][Branch1][C][S][=C][Branch2][Ring1][Branch2][/C][Branch1][C][O][=C][C][=C][C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][=Ring1][Branch2][N+1][=C][C][Branch1][C][O][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring2][Ring1][N]
|
Cc1cc(C)c(CS(=O)(=O)CC(=O)N(C(C)C)C(C)C)c(C)n1
| 630,449,832 |
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][=N][Ring2][Ring1][=Branch1]
|
Cc1cncnc1C(=O)[C@@H]1CC[C@H](C2CC2)N1
| 2,006,854,222 |
[C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2]
|
C[C@H]1CCn2cc(C(=O)NC[C@@H](NCCC(C)(C)C)C3CC3)nc2C1
| 1,366,043,827 |
[C][C@H1][C][C][N][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C@@H1][Branch1][N][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][Ring1][N][=C][Ring2][Ring1][Ring2][C][Ring2][Ring1][Branch2]
|
CC[C@H](C(=O)NC1CC(CNC(=O)C(F)F)C1)c1ccc(F)cc1
| 1,486,603,565 |
[C][C][C@H1][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][N][C][N][C][=Branch1][C][=O][C][Branch1][C][F][F][C][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CCCCCC(=O)N1CCC(CC)(NC[C@@H]2CCc3ncnn32)CC1
| 1,570,251,045 |
[C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring1][C][C][Branch1][#C][N][C][C@@H1][C][C][C][=N][C][=N][N][Ring1][Branch1][Ring1][Branch2][C][C][Ring2][Ring1][C]
|
CO[C@@H](C)C(=O)Nc1cccc(NC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)c1
| 480,346,408 |
[C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Branch2]
|
CCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1
| 704,120,946 |
[C][C][C][Branch1][C][O][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=C]
|
Cn1cc(CCCN2CCCC[C@@H](O)C2)cn1
| 1,970,797,902 |
[C][N][C][=C][Branch1][S][C][C][C][N][C][C][C][C][C@@H1][Branch1][C][O][C][Ring1][Branch2][C][=N][Ring1][S]
|
C[C@H](NC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)c1ccc(NC(N)=O)cc1
| 918,573,224 |
[C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][/C][=Branch1][=N][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=C][Ring1][#Branch2]
|
CCc1cnccc1[C@H](O)[C@@]12COC[C@H]1C2
| 1,978,359,780 |
[C][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C@@][C][O][C][C@H1][Ring1][Branch1][C][Ring1][=Branch1]
|
CN1CCC[C@H](N(C)CCNC(=O)c2cn(C)ccc2=O)C1=O
| 1,390,783,396 |
[C][N][C][C][C][C@H1][Branch2][Ring1][Branch2][N][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=C][C][Ring1][#Branch1][=O][C][Ring2][Ring1][Branch1][=O]
|
Nc1cn(CC(Cl)=CCl)nc1C(=O)O
| 2,242,551,063 |
[N][C][=C][N][Branch1][Branch2][C][C][Branch1][C][Cl][=C][Cl][N][=C][Ring1][#Branch2][C][=Branch1][C][=O][O]
|
O=C(NCc1cnn(-c2ccccc2)c1)c1cc(-c2ccoc2)[nH]n1
| 642,659,236 |
[O][=C][Branch2][Ring1][Ring2][N][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][C][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][NH1][N][=Ring1][#Branch2]
|
Cn1cc([C@H]2N(C(=O)[C@H](C(=O)OC(C)(C)C)C3CC3)CC2(C)C)cn1
| 596,002,233 |
[C][N][C][=C][Branch2][Ring2][#Branch1][C@H1][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C@H1][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][Ring1][C][C][Ring1][P][Branch1][C][C][C][C][=N][Ring2][Ring1][Branch2]
|
C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2cnn(CC)c2)C1
| 1,100,199,290 |
[C][#C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][Ring1][C][C][C][=Ring1][#Branch1][C][Ring1][#C]
|
CCO[C@H](C)c1noc(COC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)O)n1
| 736,731,429 |
[C][C][O][C@H1][Branch1][C][C][C][=N][O][C][Branch2][Ring2][Ring1][C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@@H1][Branch1][C][C][O][=N][Ring2][Ring1][Branch2]
|
N#Cc1ccccc1N1CCC(CN[C@@H]2CCCNc3ccccc32)CC1
| 2,325,734,267 |
[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch2][Ring1][C][C][N][C@@H1][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][Ring2][Ring1][Ring1]
|
C[C@@H](NC(=O)CCCCCO)c1cn[nH]c1
| 1,567,140,318 |
[C][C@@H1][Branch1][N][N][C][=Branch1][C][=O][C][C][C][C][C][O][C][C][=N][NH1][C][=Ring1][Branch1]
|
Cc1c(C#N)cccc1C(=O)N1CCCC[C@@H]1CS(C)(=O)=O
| 456,203,745 |
[C][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][S][Branch1][C][C][=Branch1][C][=O][=O]
|
CCC[C@H](C)C(=O)NCC1(NC(=O)c2cnnc(C)c2)CCCCC1
| 1,370,030,371 |
[C][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][C][C][Ring1][S]
|
C[C@@H](OCc1ccccc1)C(=O)N[C@H]1C[C@H](CNC/C=C/Cl)C1
| 1,506,899,821 |
[C][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch1][#Branch1][C][N][C][/C][=C][/Cl][C][Ring1][#Branch2]
|
COC(=O)C1CCN(S(=O)(=O)N[C@H](CN)C(C)C)CC1
| 87,404,463 |
[C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][N][C][Branch1][C][C][C][C][C][Ring1][S]
|
C1N[C@H]2C[C@H]1C[C@@H]2N[C@@H]1CC[C@@H]2CC[C@@H]21
| 1,934,665,258 |
[C][N][C@H1][C][C@H1][Ring1][Branch1][C][C@@H1][Ring1][Branch1][N][C@@H1][C][C][C@@H1][C][C][C@@H1][Ring1][Ring2][Ring1][#Branch1]
|
C[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COCCO)C1)Oc1ccccc1
| 1,780,768,916 |
[C][C@H1][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C][C][C@H1][O][C][C][C][C@@][Ring1][=Branch1][Branch1][N][C][N][C][=Branch1][C][=O][C][O][C][C][O][C][Ring2][Ring1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CCCCOCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1
| 1,352,781,606 |
[C][C][C][C][O][C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@@H1][C][N][C][=Branch1][C][=O][N][Ring1][=Branch1][C][Ring1][=N]
|
C#CCCCC(=O)NC[C@@H](NC(=O)C1CS(=O)(=O)C1)C(C)(C)C
| 1,756,712,724 |
[C][#C][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C]
|
N#Cc1ccc(CSCC(=O)N2CCOC[C@@H]2C#N)cc1
| 173,120,213 |
[N][#C][C][=C][C][=C][Branch2][Ring1][C][C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][#N][C][=C][Ring2][Ring1][Ring1]
|
CCCOc1cnc([C@H](NN)C2[C@@H]3CC[C@@H]23)nc1
| 2,046,962,537 |
[C][C][C][O][C][=C][N][=C][Branch1][#C][C@H1][Branch1][Ring1][N][N][C][C@@H1][C][C][C@@H1][Ring1][Branch1][Ring1][Ring2][N][=C][Ring1][=C]
|
O=C(/C=C\c1cnc2ccccc2n1)N1CCC(n2ccnc2)CC1
| 255,868,785 |
[O][=C][Branch1][P][/C][=C][\C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][N][C][C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][C][Ring1][O]
|
C[C@@H](Oc1nc(C(=O)O)co1)C(C)(C)CN
| 1,986,546,523 |
[C][C@@H1][Branch1][S][O][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][O][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][N]
|
Cc1ncncc1CN(C)[C@@H]1CCC[C@H](O)CC1
| 2,058,455,355 |
[C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C@@H1][C][C][C][C@H1][Branch1][C][O][C][C][Ring1][Branch2]
|
CC(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCc2ccc(Cl)nc2C1
| 1,706,064,672 |
[C][C][=Branch1][C][=O][N][C][C][C][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=N][N][C][C][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][Ring1][O]
|
C[C@H]1CN(c2nccc3ccncc23)C[C@@H]1O
| 1,945,222,530 |
[C][C@H1][C][N][Branch1][#C][C][=N][C][=C][C][=C][C][=N][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C@@H1][Ring1][#C][O]
|
Cc1nnsc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3Cl)CCO2)C1
| 1,838,865,583 |
[C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C@][Branch2][Ring1][#Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][O][Ring1][#C][C][Ring2][Ring1][Branch1]
|
CC[C@H]1CCC[C@](NCCn2cc(Br)cn2)(C(=O)O)C1
| 2,371,755,521 |
[C][C][C@H1][C][C][C][C@][Branch1][=C][N][C][C][N][C][=C][Branch1][C][Br][C][=N][Ring1][=Branch1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][C]
|
Cc1nc([C@H](C)[S@](=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)oc1-c1ccc(Cl)cc1
| 477,637,915 |
[C][C][N][=C][Branch2][Ring1][O][C@H1][Branch1][C][C][S@][=Branch1][C][=O][C@@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][=Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
NCCCCc1cn(CC2(CF)CCC2)nn1
| 2,001,150,636 |
[N][C][C][C][C][C][=C][N][Branch1][N][C][C][Branch1][Ring1][C][F][C][C][C][Ring1][=Branch1][N][=N][Ring1][N]
|
Cc1cnoc1C(=O)N[C@@H](CNC(=O)/C=C/c1ccco1)C(C)(C)C
| 1,681,069,053 |
[C][C][C][=N][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][S][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C]
|
C[C@H]1C[C@@](NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)(C(=O)O)CCN1C(=O)OC(C)(C)C
| 2,304,557,385 |
[C][C@H1][C][C@@][Branch2][Ring1][=Branch2][N][C][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][N][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
CCCn1nncc1[C@H](O)[C@@H](N)CC=C(C)C
| 719,559,860 |
[C][C][C][N][N][=N][C][=C][Ring1][Branch1][C@H1][Branch1][C][O][C@@H1][Branch1][C][N][C][C][=C][Branch1][C][C][C]
|
O=C(NCCN(C[C@@H]1C[C@@]12CCOC2)C1CC1)C1CCC=CCC1
| 1,493,448,123 |
[O][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=N][C][C@@H1][C][C@@][Ring1][Ring1][C][C][O][C][Ring1][Branch1][C][C][C][Ring1][Ring1][C][C][C][C][=C][C][C][Ring1][#Branch1]
|
CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccc(S(C)(=O)=O)c2)cc1
| 1,661,979,495 |
[C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1]
|
CC[C@@H]1C[C@@H](N)CN1C(=O)N[C@@H]1CCSC1
| 2,242,876,483 |
[C][C][C@@H1][C][C@@H1][Branch1][C][N][C][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][S][C][Ring1][Branch1]
|
c1nnc2n1C[C@H](N[C@@H]1CCC[C@H]3CC[C@@H]31)CC2
| 2,052,281,228 |
[C][=N][N][=C][N][Ring1][Branch1][C][C@H1][Branch1][=C][N][C@@H1][C][C][C][C@H1][C][C][C@@H1][Ring1][Ring2][Ring1][Branch2][C][C][Ring1][#C]
|
CC[C@@H](CNC(=O)c1ccc(C)nc1)NC(=O)C(C)(C)C(C)(F)F
| 1,409,233,364 |
[C][C][C@@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][F][F]
|
CCN1CCC(CCNC(=O)c2cc(C(C)=O)c(C)nc2C)CC1
| 362,799,942 |
[C][C][N][C][C][C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Branch1][C][C][N][=C][Ring1][#Branch2][C][C][C][Ring2][Ring1][=Branch1]
|
CSC(C)(C)c1noc(C=CCN)n1
| 1,884,309,417 |
[C][S][C][Branch1][C][C][Branch1][C][C][C][=N][O][C][Branch1][Branch1][C][=C][C][N][=N][Ring1][=Branch2]
|
C=CCNC(=O)CNCCCCCCNC(=O)[C@H]1CCNC(=O)C1
| 1,178,184,525 |
[C][=C][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][C][N][C][=Branch1][C][=O][C@H1][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1]
|
COCCN(C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C1CCCCC1
| 1,504,853,288 |
[C][O][C][C][N][Branch1][C][C][C][C][N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=N][N][=C][Ring1][S][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1]
|
CC(C)(/C=C/C(=O)O)NC(=O)CC1CC1
| 1,933,074,867 |
[C][C][Branch1][C][C][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring1]
|
CC(C)c1ccccc1C(=O)[C@@]12C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2
| 713,417,336 |
[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@@][C][C@H1][Ring1][Ring1][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=C]
|
C[C@@](C#N)(NC(=O)CN1CC[C@@]2(C(=O)O)CCC[C@@H]12)C1CC1
| 1,589,324,242 |
[C][C@@][Branch1][Ring1][C][#N][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][C][C][C@@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C@@H1][Ring1][O][Ring1][Branch2][C][C][C][Ring1][Ring1]
|
NC(=O)c1ccc(N[C@@H]2C[C@H]3C[C@H]2C[C@@H]3F)nc1
| 1,965,697,178 |
[N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C@@H1][C][C@H1][C][C@H1][Ring1][Branch1][C][C@@H1][Ring1][Branch1][F][N][=C][Ring1][#C]
|
O=C(CNC(=O)c1cc(-c2ccccc2)on1)NC[C@@H]1CS(=O)(=O)c2ccccc21
| 1,624,818,740 |
[O][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O][N][C][C@@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O]
|
NC[C@@H]1CC[C@@H](CNCCc2ccoc2)CO1
| 2,246,565,122 |
[N][C][C@@H1][C][C][C@@H1][Branch1][N][C][N][C][C][C][C][=C][O][C][=Ring1][Branch1][C][O][Ring1][#C]
|
CCOc1cc(NC2CCN(CN3Cc4cc(C(F)(F)F)ccc4C3=O)CC2)ncn1
| 802,737,469 |
[C][C][O][C][=C][C][Branch2][Ring2][#Branch1][N][C][C][C][N][Branch2][Ring1][#Branch2][C][N][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][Ring1][=N][=O][C][C][Ring2][Ring1][Branch1][=N][C][=N][Ring2][Ring1][N]
|
CC(C)c1ocnc1C(=O)N1CCC[C@@H]1CNCC[C@H]1CCCO1
| 1,666,472,215 |
[C][C][Branch1][C][C][C][O][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][N][C][C][C@H1][C][C][C][O][Ring1][Branch1]
|
Cc1ccccc1C(=O)NCC1(NC(=O)C2(C)C[C@H]3C[C@@H]3C2)CC1
| 1,535,098,231 |
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][C][C@@H1][Ring1][Ring1][C][Ring1][#Branch1][C][C][Ring1][=N]
|
CO[C@H]1CNC2(CCC(C(F)F)CC2)OC1
| 2,245,975,731 |
[C][O][C@H1][C][N][C][Branch1][#C][C][C][C][Branch1][=Branch1][C][Branch1][C][F][F][C][C][Ring1][=Branch2][O][C][Ring1][=C]
|
CCn1ncc([C@@H](O)[C@]2(NC(=O)OC(C)(C)C)CCCC2(C)C)n1
| 2,300,969,579 |
[C][C][N][N][=C][C][Branch2][Ring1][S][C@@H1][Branch1][C][O][C@][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][C][Ring1][=N][Branch1][C][C][C][=N][Ring2][Ring1][=Branch1]
|
COc1ccnc(CNC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C2CC2)c1
| 1,406,798,311 |
[C][O][C][=C][C][=N][C][Branch2][Ring1][N][C][N][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][Ring1][Branch1][Branch1][C][C][C][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][#Branch1]
|
O[C@H]1COC2(CCN(C[C@H]3C[C@H](F)C3)CC2)C1
| 2,005,270,690 |
[O][C@H1][C][O][C][Branch2][Ring1][Ring2][C][C][N][Branch1][O][C][C@H1][C][C@H1][Branch1][C][F][C][Ring1][Branch1][C][C][Ring1][N][C][Ring1][S]
|
Cc1ccc(CCCC(=O)NCCNC(=O)[C@H]2CCC2(F)F)cc1
| 1,349,232,117 |
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][Ring1][Ring2][Branch1][C][F][F][C][=C][Ring2][Ring1][#Branch1]
|
CC(=O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)CCl)CC1
| 1,824,372,605 |
[C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Cl][C][C][Ring1][=N]
|
CCOC(=O)c1ccsc1NC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O
| 442,022,795 |
[C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O]
|
CC(=O)CCC(=O)Nc1ccnnc1C
| 701,952,000 |
[C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=N][N][=C][Ring1][=Branch1][C]
|
CC[C@@H](F)C(=O)NC[C@]1(C)CCCN(C(=O)Cc2ccccc2)C1
| 1,506,715,567 |
[C][C][C@@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S]
|
COCCc1noc(CN[C@H](C)CNC(=O)c2cnon2)n1
| 1,491,614,627 |
[C][O][C][C][C][=N][O][C][Branch2][Ring1][Ring2][C][N][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=N][O][N][=Ring1][Branch1][=N][Ring2][Ring1][C]
|
C[C@H](NCCOC1CCSCC1)[C@@H](C)NC(=O)OC(C)(C)C
| 1,927,981,575 |
[C][C@H1][Branch1][=N][N][C][C][O][C][C][C][S][C][C][Ring1][=Branch1][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
NCc1ccc(CN2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)s1
| 1,988,086,105 |
[N][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][C@@H1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][N][C][Ring1][#C][S][Ring2][Ring1][Branch1]
|
CN(Cc1ccco1)C(=O)CC[C@@H]1CCN1
| 1,979,102,935 |
[C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][C][C@@H1][C][C][N][Ring1][Ring2]
|
CN[C@H](Cc1ccc(C)c(Br)c1)c1ccc(Cl)cc1
| 314,519,959 |
[C][N][C@H1][Branch1][S][C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Br][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
Cc1ccc(N2CCCN(C(=O)NCc3cccc(S(=O)(=O)NC(C)C)c3)CC2)cc1
| 918,007,380 |
[C][C][=C][C][=C][Branch2][Ring2][O][N][C][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][Ring1][=N][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C]
|
OC[C@@H](NC1CCCC1)c1cnn(C(F)F)c1
| 2,008,189,582 |
[O][C][C@@H1][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][F][F][C][=Ring1][Branch2]
|
CC(=O)NCCC(=O)N1CCC(OC2CCN(C(=O)[C@H](C)Cc3ccco3)CC2)CC1
| 1,838,755,180 |
[C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][N][O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][S][C][C][Ring2][Ring1][#Branch1]
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.