SMILES
stringlengths 3
3.54k
| SELFIES
stringlengths 4
9.29k
|
---|---|
Cc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)NCC3(C)CCOC3)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][NH1+1][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][O][C][Ring1][=Branch1][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch2] |
CCCc1ccc(C(C)[NH2+]Cc2ccc(OC)nc2)cc1 | [C][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][C][C][NH2+1][C][C][=C][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] |
COCCCNc1ncnc(NNc2ccccc2)c1N | [C][O][C][C][C][N][C][=N][C][=N][C][Branch1][O][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][N] |
COc1ccc(C(=O)N2CCOC(C#N)C2)cc1[N+](=O)[O-] | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][O][C][Branch1][Ring1][C][#N][C][Ring1][Branch2][C][=C][Ring1][S][N+1][=Branch1][C][=O][O-1] |
O=C(c1cccc(Cl)c1)N(CC1CCC[NH2+]1)C1CC1 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Branch1][=Branch2][C][C][C][C][C][NH2+1][Ring1][Branch1][C][C][C][Ring1][Ring1] |
CCC[NH2+]C(c1ccoc1)c1nccc2ccccc12 | [C][C][C][NH2+1][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CN(CC1CC[NH+](C)CC1)C(=O)CCC1CCC([NH3+])CC1 | [C][N][Branch1][=N][C][C][C][C][NH1+1][Branch1][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][C][C][C][Branch1][C][NH3+1][C][C][Ring1][#Branch1] |
COc1cc(Br)c(F)c([N+](=O)[O-])c1NCC[NH+]1CCOCC1 | [C][O][C][=C][C][Branch1][C][Br][=C][Branch1][C][F][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O][N][C][C][NH1+1][C][C][O][C][C][Ring1][=Branch1] |
CCOC(=O)CNC(=O)c1sc(c2ccc(F)cc2)cc1C(=O)OC | [C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=Ring1][N][C][=Branch1][C][=O][O][C] |
Cc1nnsc1C(=O)NCC1CCN(S(=O)(=O)N(C)C)CC1 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][N] |
CCCCOc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1 | [C][C][C][C][O][C][=C][C][=C][Branch1][#C][C][NH2+1][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][S] |
CCCC(C)COC(=O)c1cc(F)ccc1[N+](=O)[O-] | [C][C][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1] |
O=C(Nc1cccc(Cl)c1Cl)NC1CC2C(=O)NC(Cc3ccc(O)cc3)C(=O)N2C1 | [O][=C][Branch1][=C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][N][C][C][C][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][S][C][Ring2][Ring1][Ring1] |
CNC(=O)c1cn(OC)c2ncoc12 | [C][N][C][=Branch1][C][=O][C][=C][N][Branch1][Ring1][O][C][C][N][=C][O][C][Ring1][#Branch2][=Ring1][Branch1] |
O=C([O-])c1cc(Cl)cc(S(=O)(=O)CC(Cl)=CCl)c1F | [O][=C][Branch1][C][O-1][C][=C][C][Branch1][C][Cl][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][Cl][=C][Cl][=C][Ring1][#C][F] |
C=C(CC1CC[NH+](CC(NC(=O)OCC)C(C)(C)C)CC1)[NH2+]Cc1cc(Cl)cc(Cl)c1 | [C][=C][Branch2][Ring2][C][C][C][C][C][NH1+1][Branch2][Ring1][Branch1][C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][C][NH2+1][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CCOC(=O)c1cc(C)nc2sc3c([nH]c(=O)c(C(C)=O)c3c3ccc(OC)cc3)c12 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][C][S][C][=C][Branch2][Ring1][=N][NH1][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring2][Ring1][#Branch2][=Ring2][Ring1][Branch1] |
COc1cc(C(=O)NC(C)CO)ccc1Nc1ncc(C(F)(F)F)c(NCc2ccc(C)cc2N(C)S(C)(=O)=O)n1 | [C][O][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][=C][C][=C][Ring1][=N][N][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=N][Ring2][Ring1][=Branch2] |
O=C(C=CC=CC1(F)CC1c1ccc(Br)c(Br)c1)NN1CCCCC1 | [O][=C][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][C][F][C][C][Ring1][Ring2][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][Br][=C][Ring1][Branch2][N][N][C][C][C][C][C][Ring1][=Branch1] |
CC(SCc1cccc(OCCF)c1)C([NH3+])C(=O)[O-] | [C][C][Branch1][P][S][C][C][=C][C][=C][C][Branch1][Branch1][O][C][C][F][=C][Ring1][#Branch2][C][Branch1][C][NH3+1][C][=Branch1][C][=O][O-1] |
CC(C)NC(=O)c1ccccc1NCC(=O)NCC1(c2ccccc2)CC1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2] |
COc1cccc(CC(=O)NC(c2cccc(OC)c2)c2nccn2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=N][C][=C][N][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2] |
CC(C)CC(NC(=O)C1CCCN1C(=O)C[NH3+])C(=O)NC(C(=O)[O-])C(C)O | [C][C][Branch1][C][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][NH3+1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][Branch1][C][C][O] |
CCCC(=O)C(C#N)c1cccnc1 | [C][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][=C][C][=C][N][=C][Ring1][=Branch1] |
Cc1noc(C)c1CSc1ncccc1C(=O)N1C2CCC1CC(=O)NC2 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2] |
CCCCCCCCCC(=O)C1C(=O)Nc2cc(Cl)ccc21 | [C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O] |
Cc1ccc(C)c(NC(N)=[NH+]CC(C)C)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch1][=N][N][C][Branch1][C][N][=NH1+1][C][C][Branch1][C][C][C][=C][Ring1][#C] |
CCOc1cc(C=NOC(=O)CC)ccc1OC(=O)CC | [C][C][O][C][=C][C][Branch1][#Branch2][C][=N][O][C][=Branch1][C][=O][C][C][=C][C][=C][Ring1][=N][O][C][=Branch1][C][=O][C][C] |
Cc1ccc(F)cc1NC(=O)N1CCC(c2nc(c3ccc4ccccc4n3)no2)CC1 | [C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=N][O][Ring1][#C][C][C][Ring2][Ring1][Branch1] |
CCSCCC(C[NH3+])N1CCC(C(C)C)CC1 | [C][C][S][C][C][C][Branch1][Ring1][C][NH3+1][N][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2] |
CC(C)(C)c1ccc(OCC(=O)N2CCSCC2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][S][C][C][Ring1][=Branch1][C][=C][Ring1][S] |
CCC[NH2+]C(CCCOCC)CCC(C)C | [C][C][C][NH2+1][C][Branch1][#Branch1][C][C][C][O][C][C][C][C][C][Branch1][C][C][C] |
CCCn1c(C#N)cc(N)c1Cc1cccc(Cl)c1 | [C][C][C][N][C][Branch1][Ring1][C][#N][=C][C][Branch1][C][N][=C][Ring1][Branch2][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CCN(CC)C(=O)C1CCN(c2cc[nH+]c3cc(Br)cnc23)CC1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][C][C][=C][C][=NH1+1][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][O][Ring1][#Branch1][C][C][Ring1][P] |
CCOC1CC([NH2+]C(CO)C(C)C)C12CCCCC2 | [C][C][O][C][C][C][Branch1][N][NH2+1][C][Branch1][Ring1][C][O][C][Branch1][C][C][C][C][Ring1][O][C][C][C][C][C][Ring1][=Branch1] |
CCC(NC(=O)C1CCC(=O)N1Cc1ccc2c(c1)OCO2)c1ccccc1 | [C][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
C[NH+](C)C(C)(C)CNS(=O)(=O)c1ccc(Br)cc1Cl | [C][NH1+1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl] |
CC(CNC(=O)NCCO)[NH+]1CCN(c2ccccc2)CC1 | [C][C][Branch1][O][C][N][C][=Branch1][C][=O][N][C][C][O][NH1+1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] |
CC(C)C[NH+](C)CC(=O)NCC(C)c1ccccc1 | [C][C][Branch1][C][C][C][NH1+1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCN(CC(=O)[O-])C(=O)Nc1ccc(C)cc1F | [C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][F] |
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2C1c1ccc(SC)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][S][C][=Branch2][Ring1][=N][=C][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][C][O][Ring1][S][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1][C][Ring2][Ring1][P][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2] |
CC(C)(CO)[NH2+]CC(=O)N1CCCC1C(=O)c1nnc(C2(C)CCCCC2)o1 | [C][C][Branch1][C][C][Branch1][Ring1][C][O][NH2+1][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][=N][N][=C][Branch1][N][C][Branch1][C][C][C][C][C][C][C][Ring1][#Branch1][O][Ring1][N] |
COC(=O)Cc1ccccc1C(CCc1ccccc1)C(N)=O | [C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] |
CCNC(=O)CC(C[NH3+])N(C)CCOCC | [C][C][N][C][=Branch1][C][=O][C][C][Branch1][Ring1][C][NH3+1][N][Branch1][C][C][C][C][O][C][C] |
CC(=O)c1cccc(n2ccn(C(C)C)c2=O)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][N][C][=C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][Branch2][=O][=C][Ring1][#C] |
NNC(=O)c1coc(COC(C(F)(F)F)C(F)(F)F)c1 | [N][N][C][=Branch1][C][=O][C][=C][O][C][Branch2][Ring1][=Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][S] |
CC(C)(C)C(=O)NCC1(c2cccc(Cl)c2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][#Branch2] |
Cc1ccc(CCNc2n[nH]c(N)n2)s1 | [C][C][=C][C][=C][Branch1][=C][C][C][N][C][=N][NH1][C][Branch1][C][N][=N][Ring1][=Branch1][S][Ring1][=C] |
CNc1cc(C(F)F)[nH+]c2c(Br)ccc(C)c12 | [C][N][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=NH1+1][C][=C][Branch1][C][Br][C][=C][C][Branch1][C][C][=C][Ring1][#C][Ring1][Branch2] |
COc1ccc(CO)cc1S(=O)(=O)NC1CCCC1C | [C][O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C] |
Cc1cc([N+](=O)[O-])cc(c2nc(CCl)co2)c1 | [C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][N][C][=N][C][Branch1][Ring1][C][Cl][=C][O][Ring1][#Branch1][=C][Ring1][S] |
Cc1cc(N(C)C(=O)OC(C)(C)C)cc(C)c1CCS(=O)(=O)N1CCC(NC(=O)CCCCCCCC(F)(F)C(F)(F)F)(C(N)=O)CC1 | [C][C][=C][C][Branch2][Ring1][C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Ring1][S][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring2][Ring1][#Branch2] |
CC[NH2+]C(C1CC(C)CC(C)C1)C(C)(C)N1CCCC1 | [C][C][NH2+1][C][Branch1][#C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][N][C][C][C][C][Ring1][Branch1] |
Cc1ccc(C)c(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][=C][Ring2][Ring1][=C] |
COc1cc(C(=O)N(Cc2ccccn2)c2nc3c(C)cc(C)cc3s2)c([N+](=O)[O-])cc1OC | [C][O][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][S][Ring1][O][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][=C][O][C] |
CC1c2cccnc2N(C2CC[NH2+]CC2)C(=O)CC1CC(=O)[O-] | [C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][C][NH2+1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Ring2][Ring1][C][C][C][=Branch1][C][=O][O-1] |
O=C([O-])CC(OC(=O)c1cc2ccc1o2)(C(F)(F)F)C(F)(F)F | [O][=C][Branch1][C][O-1][C][C][Branch1][P][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] |
CCN1CCN(C(=O)NC2CC[NH+](C)CC2)C(C)C1=O | [C][C][N][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][C][C][NH1+1][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][C][Ring1][P][=O] |
COc1cccc(C[NH+]2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][P][C][NH1+1][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch2][O][C] |
CCc1nc(CN(CCOC)CC2CCC[NH2+]2)no1 | [C][C][C][=N][C][Branch1][P][C][N][Branch1][Branch1][C][C][O][C][C][C][C][C][C][NH2+1][Ring1][Branch1][=N][O][Ring1][P] |
COc1cc(F)c(C(C)(C)C#N)c(F)c1 | [C][O][C][=C][C][Branch1][C][F][=C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][#N][C][Branch1][C][F][=C][Ring1][=N] |
CCc1cc2c(CC#N)c(CO)ccc2s1 | [C][C][C][=C][C][=C][Branch1][Ring2][C][C][#N][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][O][S][Ring1][=C] |
CCC(CC)C(=O)NCC(=O)Nc1ccc(OC)c(OC)c1 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] |
CCC(=O)N1CCCN(C(=O)c2cn[nH]n2)CC1 | [C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=N][NH1][N][=Ring1][Branch1][C][C][Ring1][=C] |
CCCNc1nc(C)cc(Sc2cccc(C)c2)n1 | [C][C][C][N][C][=N][C][Branch1][C][C][=C][C][Branch1][=N][S][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][Ring1][#C] |
CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 | [C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Ring1][=N] |
CCC#CCC(C)C(O)C#CC1C(O)CC(F)C1CC(=O)CCCCC(=O)[O-] | [C][C][C][#C][C][C][Branch1][C][C][C][Branch1][C][O][C][#C][C][C][Branch1][C][O][C][C][Branch1][C][F][C][Ring1][#Branch1][C][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][O-1] |
C#CC(OC)C(C=CC)=Nc1ccccc1C(=O)OC | [C][#C][C][Branch1][Ring1][O][C][C][Branch1][Ring2][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C] |
Cc1c([O-])c(C)c(c2cc3cc(OCc4cncs4)ccc3o2)oc1=O | [C][C][=C][Branch1][C][O-1][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#Branch2][O][C][C][=C][N][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=N][O][Ring1][S][O][C][Ring2][Ring1][Branch2][=O] |
CC1(c2cc(NC(=O)c3ncc(F)cc3F)ccn2)CCSC(N)=[NH+]1 | [C][C][Branch2][Ring1][=N][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][C][=N][Ring1][P][C][C][S][C][Branch1][C][N][=NH1+1][Ring2][Ring1][Branch2] |
O=C(CCS(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccccc1F | [O][=C][Branch2][Ring1][=Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CCOC(=O)CCNC(=O)C(c1ccccc1O)N(C(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C1CCC1 | [C][C][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][Branch2][Ring2][C][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][C][Ring1][Ring2] |
COc1ccc(C=CC(=O)N2CCN(c3c(C)n[nH]c3C)CC2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1][O][C] |
CC(C)(C)[NH2+]CC(O)Cn1ccccc1=O | [C][C][Branch1][C][C][Branch1][C][C][NH2+1][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O] |
COC1CCC2(CC1)Cc1ccc(c3cnccn3)cc1C2=NC#N | [C][O][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][C][Ring1][P][=N][C][#N] |
CN1C(=O)N(C)C(=O)C2(C1=O)C(c1ccc(F)cc1)NC(=O)NC2c1ccc(F)cc1 | [C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Branch1][C][Ring1][=Branch2][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Ring1][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
Cc1ccc(C)c(OCc2cc(F)cc(B(O)O)c2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Branch1][O][C][C][=C][C][Branch1][C][F][=C][C][Branch1][=Branch1][B][Branch1][C][O][O][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] |
CCC(=O)Cc1ccc(c2cnc3n[nH]c(c4nc5c(C(=O)N6CCCC6)cncc5[nH]4)c3c2)cn1 | [C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring2][=N][C][C][=N][C][=N][NH1][C][Branch2][Ring1][O][C][=N][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=N][C][=C][Ring1][=N][NH1][Ring1][S][=C][Ring2][Ring1][Branch1][C][=Ring2][Ring1][=Branch2][C][=N][Ring2][Ring1][#C] |
CS(=O)CC(NC(=O)[O-])c1ccccc1Cl | [C][S][=Branch1][C][=O][C][C][Branch1][#Branch1][N][C][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CCOCCCNC(NCCc1ccco1)=[NH+]CC(C)SC | [C][C][O][C][C][C][N][C][Branch1][O][N][C][C][C][=C][C][=C][O][Ring1][Branch1][=NH1+1][C][C][Branch1][C][C][S][C] |
Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Cl)cc2Cl)C(C)C(=O)NC(C)C)c2ccc(Cl)cc2)cc1 | [C][C][=C][C][=C][Branch2][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring2][=Branch1] |
Cn1ncnc1C[NH+]1CCC(C(=O)[O-])C1 | [C][N][N][=C][N][=C][Ring1][Branch1][C][NH1+1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][Ring1][Branch2] |
NN=C1COCc2cccc(Cl)c21 | [N][N][=C][C][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Ring1][O] |
CCCCCC1CCC(CCc2ncc(c3ccc(CCCC)cc3)cn2)CC1 | [C][C][C][C][C][C][C][C][C][Branch2][Ring1][O][C][C][C][=N][C][=C][Branch1][#C][C][=C][C][=C][Branch1][Branch1][C][C][C][C][C][=C][Ring1][#Branch2][C][=N][Ring1][S][C][C][Ring2][Ring1][Branch2] |
CCCn1c(=O)ccn(c2cc(OC(C)C)c(Cl)cc2F)c1=O | [C][C][C][N][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][Branch1][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Branch1][C][Cl][C][=C][Ring1][O][F][C][Ring2][Ring1][Ring1][=O] |
OC(Cc1c(F)cccc1F)C1COc2ccccc2O1 | [O][C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] |
Cc1cccc2c(=O)n(C)c(C(=O)[O-])nc12 | [C][C][=C][C][=C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=N][C][Ring1][#C][=Ring1][O] |
COc1cccc(c2nnc(C34CC5CCCC(NC(=O)c6cccc(C)n6)(C3)C(C5)C4)o2)c1 | [C][O][C][=C][C][=C][C][Branch2][Branch1][=Branch1][C][=N][N][=C][Branch2][Ring2][O][C][C][C][C][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][Branch1][Branch1][C][Ring2][Ring1][C][C][Branch1][Branch1][C][Ring2][Ring1][C][C][Ring2][Ring1][Branch1][O][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][S] |
O=C(NCCN1C(=O)CCC1=O)N1CC[NH+](C2CCCC2)CC1 | [O][=C][Branch1][#C][N][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][N][C][C][NH1+1][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][O] |
Nc1ccc(N2CCN(S(=O)(=O)c3cnc[nH]3)CC2)cc1 | [N][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][NH1][Ring1][Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2] |
CONS(=O)(=O)c1ccc(CC#N)cc1 | [C][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][C][C][#N][C][=C][Ring1][=Branch2] |
CC(=O)Nc1cc(=O)n(c2ccccc2)nc1c1ccccc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
C=CCNC(NCCCCC1CCCC1)=[NH+]Cc1nnc(C)n1C | [C][=C][C][N][C][Branch1][=N][N][C][C][C][C][C][C][C][C][C][Ring1][Branch1][=NH1+1][C][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C] |
O=C([O-])CCCCCCCNC(=O)c1cc(F)cc2cccnc12 | [O][=C][Branch1][C][O-1][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] |
COC(C)(C)CC(C)[NH2+]Cc1cccc(Br)c1 | [C][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][NH2+1][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] |
Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NC(C)c2ccccc2)cc1C | [C][C][=C][C][=C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][P][C] |
CC(C)[NH2+]Cc1cnc(Oc2cccc(F)c2)nc1 | [C][C][Branch1][C][C][NH2+1][C][C][=C][N][=C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=C][Ring1][=C] |
COc1cc(OC)c2cc(C(=O)N(C)C(C(N)=O)c3cccc(F)c3)[nH]c2c1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][NH1][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#Branch2][O][C] |
O=C([O-])C1CCCC1CNS(=O)(=O)CCc1ccccn1 | [O][=C][Branch1][C][O-1][C][C][C][C][C][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CC(C)C(C)CNc1ncc(Br)cc1Cl | [C][C][Branch1][C][C][C][Branch1][C][C][C][N][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl] |