smiles
stringlengths 2
836
| selfies
stringlengths 4
2.93k
| target
int64 0
1
|
|---|---|---|
COc1ccc(-n2nnnc2C2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][N][N][=N][N][=C][Ring1][Branch1][C][C][C][N][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=N] | 1 |
CC(C)CC(=O)N1CC(C)N(C(=O)CC(C)C)CC1C | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][Ring1][=N][C] | 0 |
O=C(Nc1ccc(Cl)cc1)C1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][N][=C][Ring1][=N][O][Ring1][S] | 1 |
Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1 | [C][N][C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][=N][N][=C][Ring1][O][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | 0 |
Cc1ccc(C)c(NC(=O)C2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][Ring1][P][=C][Ring2][Ring1][O] | 1 |
NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch2] | 0 |
CCCCN(C=O)c1c(CC)nc2c(OCc3ccc(Cl)cc3Cl)cccn12 | [C][C][C][C][N][Branch1][Ring1][C][=O][C][=C][Branch1][Ring1][C][C][N][=C][C][Branch1][#C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][C][=C][N][Ring2][Ring1][Branch1][Ring1][S] | 1 |
Cc1cc(C(=O)N2CCc3ccccc3C2)n[nH]1 | [C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][NH1][Ring1][P] | 0 |
O=[N+]([O-])c1ccc(Sc2cc[n+]([O-])c3ccccc23)c([N+](=O)[O-])c1 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][Ring1][S][C][=C][C][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Branch1] | 1 |
CN(CC(=O)NCc1ccc2c(c1)OCO2)CC(=O)Nc1ccc(F)c(F)c1F | [C][N][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F] | 0 |
O=c1c(=O)n(-c2ccccc2)ccn1Cc1c(F)cccc1Cl | [O][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Ring1][=N][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl] | 0 |
COCCn1c(=O)c(-c2ccc(F)cc2)nc2cnc(N3CCOCC3)nc21 | [C][O][C][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][N][Ring2][Ring1][Branch2] | 0 |
COc1ccc(-c2nc(CS(=O)CC(=O)N3CCc4ccccc4C3)c(C)o2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=N][C][Branch2][Ring1][=Branch2][C][S][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][Branch1][C][C][O][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] | 0 |
Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 | [C][C][=C][C][=C][C][Branch2][Ring2][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S][=C][Ring2][Ring1][S] | 1 |
O=C(CCN1C(=O)C2C3CCC(C3)C2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 | [O][=C][Branch2][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][O][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2] | 0 |
CCSc1nnc(-c2ccc(Cl)cc2)c2ccccc12 | [C][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | 0 |
COc1ccc(NC(=O)CN2C(=O)C(C)SC(C)C2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][Branch1][C][C][C][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][Ring2] | 0 |
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCC1 | [C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | 0 |
CCc1nc(SCC(=O)Nc2ccccc2Cl)n[nH]1 | [C][C][C][=N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][NH1][Ring1][P] | 0 |
COC(=O)[C@@]12CCCN1[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]1C(=O)N(C)C(=O)[C@@H]12 | [C][O][C][=Branch1][C][=O][C@@][C][C][C][N][Ring1][Branch1][C@H1][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C@@H1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Ring1][Branch2][Ring2][Ring1][#Branch2] | 1 |
c1ccc(C[C@H]2CNCCN2CCCCC2CCCCC2)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch1][C][C@H1][C][N][C][C][N][Ring1][=Branch1][C][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | 0 |
O=C(COC(=O)COc1ccc(Br)cc1)NCCC1=CCCCC1 | [O][=C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1] | 0 |
CN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 | [C][N][Branch2][Ring2][=C][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] | 0 |
O=C(CSc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1)N1CCCc2ccccc21 | [O][=C][Branch2][Ring1][S][C][S][C][N][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][C][=C][Ring1][N][C][=Branch1][C][=O][N][=Ring1][P][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | 0 |
C1CCCN(c2nc3nonc3nc2N2CCCCCC2)CC1 | [C][C][C][C][N][Branch2][Ring1][#Branch1][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][=C][Ring1][=Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1] | 0 |
COc1ccc(S(=O)(=O)N2CCN(C(=O)CCOc3ccccc3)CC2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch2][O][C] | 0 |
COc1cccc2cc(-c3nnc(Nc4ccccc4C)s3)c(=O)oc12 | [C][O][C][=C][C][=C][C][C][=C][Branch2][Ring1][Ring2][C][=N][N][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][Ring1][=N][C][=Branch1][C][=O][O][C][Ring2][Ring1][Branch2][=Ring2][Ring1][Ring2] | 1 |
COc1ccc2oc(=O)cc(CN3CCN(c4ccccc4OC)CC3)c2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch1][C][N][C][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][=C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] | 0 |
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)c2nsnc12 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=N][S][N][=C][Ring2][Ring1][Ring1][Ring1][Branch1] | 0 |
Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][C] | 0 |
Cc1ccccc1NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=S][N][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2] | 0 |
COc1ccc(CSc2nc(CSC)cc(N3CCOCC3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][S][C][=N][C][Branch1][Ring2][C][S][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] | 0 |
O=C(OCC(=O)N1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] | [O][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1] | 0 |
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1][O][C] | 0 |
NNC(=O)Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 | [N][N][C][=Branch1][C][=O][C][C][=C][N][Branch2][Ring1][Ring2][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | 0 |
Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cccnc3)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | 0 |
CCCCc1nnc(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)s1 | [C][C][C][C][C][=N][N][=C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][P][S][Ring2][Ring1][#Branch2] | 0 |
Cc1ccc(OCCCN2CCCC2)c(C)c1 | [C][C][=C][C][=C][Branch1][N][O][C][C][C][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][S] | 0 |
CC(=O)c1ccc(NC(=O)CSc2nc(C)cc(C)c2C(N)=O)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][=Branch1] | 0 |
O=C(Nc1ccc(F)cc1)c1oc2ccccc2c1NC(=O)C1CC1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1] | 0 |
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][Branch2] | 0 |
Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 | [C][C][=C][C][Branch1][#Branch2][/C][=N][/N][C][=N][N][=C][Ring1][Branch1][=C][Branch1][C][C][N][Ring1][=N][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][#C] | 1 |
CN(C)c1ccc(-c2nc3ccccn3c2/N=C/c2ccc(Br)cc2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][O][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][/N][=C][/C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2] | 0 |
COc1cc(C(=O)OCc2nc(=O)c3sccc3[nH]2)c([N+](=O)[O-])cc1OC | [C][O][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][=N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][NH1][Ring1][#Branch2][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][#Branch1][O][C] | 0 |
CC(C)[C@H]1C(C#N)=C(N)Oc2n[nH]c(C(C)(C)C)c21 | [C][C][Branch1][C][C][C@H1][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][=N][NH1][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=Branch2][Ring1][S] | 0 |
O=C(NC1CC1)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | 0 |
O=C(N/N=C/c1cccnc1)/C(=C\c1cccs1)NC(=O)c1ccccc1 | [O][=C][Branch1][N][N][/N][=C][/C][=C][C][=C][N][=C][Ring1][=Branch1][/C][=Branch1][=Branch2][=C][\C][=C][C][=C][S][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | 0 |
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)Cn3cc(CCCC[NH3+])nn3)CC2)nc(N2CCN(C(=O)[C@H](C)n3cc(CCC(=O)O)nn3)CC2)n1 | [C][#C][C][O][C][C][O][C][C][O][C][C][N][C][=N][C][Branch2][Ring1][S][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][N][C][=C][Branch1][=Branch1][C][C][C][C][NH3+1][N][=N][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1][=N][C][Branch2][Ring2][Branch1][N][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][=N][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2][=N][Ring2][Ring2][=N] | 0 |
Cc1cc(=O)n(C(C)C(=O)N2CCCc3ccccc32)c2c1c(C)nn2-c1ccccc1 | [C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | 0 |
Cc1cc(C)c(NC(=O)C(C)n2nc(-c3ccc(C)c(C)c3)ccc2=O)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][N][N][=C][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][C][Ring1][=C][=O][C][Branch1][C][C][=C][Ring2][Ring1][N] | 0 |
COc1ccccc1-c1nc(C#N)c(N2CCCCCC2)o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][O][Ring1][=C] | 0 |
O=C(NCc1ccc(F)cc1)C1CCCN1C(=O)Nc1ccc(Cl)cc1 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | 0 |
O=C(O)CCc1ccc(-c2cccs2)n1CCc1ccccc1 | [O][=C][Branch1][C][O][C][C][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | 0 |
COc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3ccc(F)cc3)c3ccccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][N][C][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][S] | 0 |
CCN1CCN(S(=O)(=O)c2cc(OC)c(Cl)cc2OC)CC1 | [C][C][N][C][C][N][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][Cl][C][=C][Ring1][=Branch2][O][C][C][C][Ring2][Ring1][Ring2] | 0 |
CCC(C(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)c1ccccc1 | [C][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | 1 |
Nc1cccc(-c2cn3ccsc3n2)c1 | [N][C][=C][C][=C][C][Branch1][=N][C][=C][N][C][=C][S][C][Ring1][Branch1][=N][Ring1][Branch2][=C][Ring1][=C] | 0 |
COC(=O)c1cc2occc2n1CC(=O)Nc1ccc(OC)c(OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][O][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | 0 |
COc1ccccc1Cc1c(-c2cccc(Cl)c2)nc2c(C)cc(Br)cn12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=C][C][Branch1][C][C][=C][C][Branch1][C][Br][=C][N][Ring2][Ring1][C][Ring1][Branch2] | 0 |
CCOC(=O)c1sc(NC(=O)c2cc(-c3cccc(O)c3)on2)c(C(=O)OCC)c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][N][=Ring1][N][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=Ring2][Ring1][=Branch2][C] | 0 |
O=C(NCc1ccccc1)c1ccc2c(c1)nc1n2CCCCC1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][C][C][C][C][Ring1][#Branch1] | 0 |
CC(C)(C)OC(=O)CNC(=O)c1nc[nH]c1C(=O)NCc1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][=C][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | 0 |
Cc1ccc(C(=O)CSc2nnc(COc3cccc4cccnc34)o2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][O][Ring1][P][C][=C][Ring2][Ring1][O] | 1 |
O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sc3ccccc3c21)NC1CCCC1 | [O][=C][Branch2][Ring2][=Branch1][C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Ring2][Ring1][Branch1][N][C][C][C][C][C][Ring1][Branch1] | 0 |
COc1cccc(C(=O)Nc2cc(NC(=O)c3cccs3)ccc2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][C][=C][Ring2][Ring1][Branch2] | 0 |
O=C(COc1ccccc1[N+](=O)[O-])NCc1cccnc1 | [O][=C][Branch1][S][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | 0 |
Cc1sc2nc(CN3CCCCC3)nc(Nc3ccc4c(c3)OCCO4)c2c1C | [C][C][S][C][=N][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][Branch2][C][=Ring2][Ring1][O][C] | 0 |
N/C(=N\NC(=O)Nc1ccc(Cl)cc1)c1ccccn1 | [N][/C][=Branch2][Ring1][Ring1][=N][\N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] | 0 |
COC(=O)c1cc(C(=O)Nc2nnc(CC(C)(C)C)s2)cc([N+](=O)[O-])c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][#Branch2][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][=Branch1] | 0 |
Cc1cccc(C)c1NC(=O)C(=O)NCCc1c[nH]c2ccccc12 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | 0 |
O=C(CN1C(=O)c2ccccc2C1=O)NCC1CCCO1 | [O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][C][C][C][O][Ring1][Branch1] | 0 |
COc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccc(F)cc1 | [C][O][C][=C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][Branch1][=C][C][Branch1][C][Cl][=C][Ring1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | 1 |
Nc1nc(=O)c2[nH]c(=S)[nH]c2[nH]1 | [N][C][=N][C][=Branch1][C][=O][C][NH1][C][=Branch1][C][=S][NH1][C][=Ring1][=Branch1][NH1][Ring1][O] | 0 |
CCOC(=O)c1nnc2c(Br)c(-c3ccccc3)nn2c1C | [C][C][O][C][=Branch1][C][=O][C][N][=N][C][=C][Branch1][C][Br][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][N][C][=Ring1][S][C] | 0 |
O=C(NCc1ccco1)Nc1cccc(-c2ccccc2)c1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][N][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N] | 0 |
Cc1n[nH]c(SCC(C)C)nc1=O | [C][C][=N][NH1][C][Branch1][Branch2][S][C][C][Branch1][C][C][C][=N][C][Ring1][O][=O] | 0 |
O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][S] | 0 |
Cn1cnc2cc(NCc3ccccc3Cl)ccc21 | [C][N][C][=N][C][=C][C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][=C][Ring1][#C][Ring2][Ring1][C] | 0 |
O=C(CNC(=O)C1CCCC1)Nc1ccccc1Br | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | 0 |
CC(C)(C)c1csc(NC2=NS(=O)(=O)c3ccccc32)n1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][S][C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=N][Ring1][P] | 0 |
COc1ccc(-n2c(SCC(=O)c3ccccc3)nc3c([nH]c4ccccc43)c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Ring2][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][=C] | 0 |
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1ccc(Cl)c(Cl)c1 | [C][C][N][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | 0 |
O=C(NCCCN1CCCC1=O)Nc1ccc(Cl)cc1 | [O][=C][Branch1][=N][N][C][C][C][N][C][C][C][C][Ring1][Branch1][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | 0 |
COc1cccc(N2CCN(C(=O)Cn3c(-c4cccs4)cc4ccccc43)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring2][Branch2][N][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][=N] | 0 |
Cc1cc(C)cc(NC(=O)CSc2nc3ncccc3[nH]2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring2][Ring1][Branch1] | 0 |
CCC(C)(C)NC(=O)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1cnccn1 | [C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1] | 0 |
Cc1cc(/C=C2\SC(Nc3ccc(F)cc3)=NC2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 | [C][C][=C][C][Branch2][Ring1][Branch2][/C][=C][\S][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][Ring1][=N][=O][=C][Branch1][C][C][N][Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | 1 |
O=C(c1ccco1)N1CCN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N][C][C][Ring2][Ring1][Branch1] | 0 |
C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC2CCC(O)CC2)ccc1Cl | [C][=C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][=C][C][=C][Ring1][S][Cl] | 0 |
CCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(C)s2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2] | 0 |
Cc1c(Br)c(=O)oc2c(Br)c(O)ccc12 | [C][C][=C][Branch1][C][Br][C][=Branch1][C][=O][O][C][=C][Branch1][C][Br][C][Branch1][C][O][=C][C][=C][Ring1][=C][Ring1][Branch2] | 0 |
CCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2)cc1OC | [C][C][O][C][=C][Branch1][C][Br][C][=C][Branch1][S][/C][=N][\N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] | 1 |
Cn1nnnc1SCC(=O)Nc1ccc(Br)cc1Br | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Br] | 0 |
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C] | 0 |
COc1ccc([N+](=O)[O-])c(C=CC(=O)c2ccccn2)c1 | [C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][#C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | 1 |
COc1cccc(C(C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2cc(C)on2)c2ccc3c(c2)OCCO3)c1OC | [C][O][C][=C][C][=C][C][Branch2][Branch1][#Branch2][C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring2][=Branch1][O][C] | 0 |
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1] | 1 |
Cc1noc(C(=O)Nc2cccc(Cl)c2)c1Cl | [C][C][=N][O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring1][#C][Cl] | 0 |
O=C(Nc1nnc(S(=O)(=O)Nc2ccccc2)s1)c1ccccc1Cl | [O][=C][Branch2][Ring1][O][N][C][=N][N][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | 0 |
O=C(Cc1cn2ccsc2n1)Nc1cccc2cnccc12 | [O][=C][Branch1][=C][C][C][=C][N][C][=C][S][C][Ring1][Branch1][=N][Ring1][Branch2][N][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | 0 |