SMILES
stringlengths 3
3.54k
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stringlengths 4
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|---|---|
N[N+](O)(N=O)c1ccccc1 | [N][N+1][Branch1][C][O][Branch1][Ring1][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
c1ccc(c2cccc3c2c2c4oc5c(ccc6c5c5ccccc5n6c5ccccc5)c4ccc2n3c2ccccc2)cc1 | [C][=C][C][=C][Branch2][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][O][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][#Branch2][N][Ring2][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][=N] |
CCCC(=O)NS(=O)(=O)C(NC(=O)c1ccccc1OC)C1(c2cccc(F)c2)CC[NH2+]CC1 | [C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][NH2+1][C][C][Ring1][=N] |
Cc1ccc(Cn2cc(c3nn(C4CC5(CCN(C(=O)OC(C)(C)C)C5)C4)c(N)c3C#N)cn2)cc1C(F)(F)F | [C][C][=C][C][=C][Branch2][Branch1][O][C][N][C][=C][Branch2][Ring2][#C][C][=N][N][Branch2][Ring1][#C][C][C][C][Branch2][Ring1][=Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N][C][Ring1][#C][C][Branch1][C][N][=C][Ring2][Ring1][Branch1][C][#N][C][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
CCCCC(Nc1ccc(C)cc1Cl)C(=O)OC | [C][C][C][C][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][O][C] |
Cc1ccc(Cc2cnc(NC(=O)c3ccc(CS(C)(=O)=O)cc3)s2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][=C][N][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][S][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2] |
Cc1cccc(C(C)C(=O)N(C)c2ccccc2Br)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=C][Ring2][Ring1][Ring1] |
Cc1ccc(C)c2c1CCc1ccccc1C2 | [C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O] |
COCOc1ccccc1c1cc(c2ccccc2C(=O)NCCN(C(=O)[O-])C(C)(C)C)c(C#N)c(NC(=O)c2cccs2)n1 | [C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch2][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][Ring2][Ring2][Ring1] |
COc1ccc(N(C(C)c2cccc(C)c2)S(=O)(=O)c2ccc(OC)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][N][Branch1][S][C][Branch1][C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][O] |
CC1C=CN(C)C(C(CCN2c3ccccc3Oc3ccccc32)S(=O)(=O)[O-])[NH+]1C | [C][C][C][=C][N][Branch1][C][C][C][Branch2][Ring2][Ring1][C][Branch2][Ring1][#Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][O-1][NH1+1][Ring2][Ring1][N][C] |
CC(C)OC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C(N)=O)cc1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Branch1] |
CC(C)CC(C[NH3+])C(=O)Nc1ccc(Cl)c(C(N)=O)c1 | [C][C][Branch1][C][C][C][C][Branch1][Ring1][C][NH3+1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2] |
CCc1ccc(N2c3cccc(C(=O)[O-])c3OCC2CO)nc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][O][C][C][Ring1][=N][C][O][N][=C][Ring2][Ring1][Branch1] |
Cc1cc(Cl)c2nc(Cl)nc(N(C)C)c2c1 | [C][C][=C][C][Branch1][C][Cl][=C][N][=C][Branch1][C][Cl][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][#Branch2][=C][Ring1][#C] |
O=[N+]([O-])c1cnc(Cl)nc1N1CCC(CCO)C1 | [O][=N+1][Branch1][C][O-1][C][=C][N][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][N][C][C][C][Branch1][Ring2][C][C][O][C][Ring1][Branch2] |
CCOc1cc(C=NNS(=O)(=O)c2cc(C)ccc2C)ccc1O | [C][C][O][C][=C][C][Branch2][Ring1][#Branch1][C][=N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring1][Ring2][O] |
O=C(c1cnc2ccccc2c1)n1ccnc1 | [O][=C][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=C][N][=C][Ring1][Branch1] |
Cc1cccc(C(NC(=O)c2coc(S(=O)(=O)N(C)C)c2)C(=O)[O-])c1C | [C][C][=C][C][=C][C][Branch2][Ring2][Ring2][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][O][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][O][C][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Branch2][C] |
CCOC(CCOc1c(C)cc(Br)cc1[N+](=O)[O-])C(=O)[O-] | [C][C][O][C][Branch2][Ring1][#Branch1][C][C][O][C][=C][Branch1][C][C][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1] |
Cc1ccn(CCC(=O)N2CCC3(CC2)CC3C(=O)NCCC2=CCCCC2)n1 | [C][C][C][=C][N][Branch2][Ring2][Ring2][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1][N][=Ring2][Ring1][N] |
COCC([NH2+]C(C)Cc1ccc(C)s1)C(C)C | [C][O][C][C][Branch1][P][NH2+1][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][Branch1][C][C][C] |
CCC[NH2+]C(c1cncc(F)c1)c1cccc(Cl)c1 | [C][C][C][NH2+1][C][Branch1][N][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
Cc1cccc(C#N)c1SC(C)CCl | [C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][S][C][Branch1][C][C][C][Cl] |
CC1OCCC12CN(C(=O)CC(C)(C)C)CCO2 | [C][C][O][C][C][C][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][C][O][Ring1][=N] |
Cc1ccc2cccc(Oc3nccc(N)n3)c2n1 | [C][C][=C][C][=C][C][=C][C][=C][Branch1][=N][O][C][=N][C][=C][C][Branch1][C][N][=N][Ring1][#Branch1][C][Ring1][=C][=N][Ring2][Ring1][C] |
Cc1nccn1CC(C)[NH2+]C1(c2cc(F)cc(F)c2)CC1 | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][Branch1][C][C][NH2+1][C][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring1][O] |
[NH3+]C(CCc1ccccc1)c1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1 | [NH3+1][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][S][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][Ring2][Ring1][Ring1] |
Cn1ccnc1SCC(C#N)(NC1CC1)C1CC1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][Branch1][Ring1][C][#N][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1] |
[NH3+]CC1(C(=O)c2ccc(F)c(F)c2)CCCCC1 | [NH3+1][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][C][Ring1][S] |
COC(=O)C1(c2ccccc2)CCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CC1 | [C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][C][Ring2][Ring1][=C] |
NC(=O)c1cccc(c2nccnc2C2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][=N][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring2][Ring1][C][=C][Ring2][Ring1][=C] |
Cc1nc2ccc(c3cc(CCC(=O)[O-])n(C)n3)cc2[nH]1 | [C][C][=N][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][N][Branch1][C][C][N][=Ring1][O][C][=C][Ring1][P][NH1][Ring2][Ring1][Ring2] |
CCC(NC(=O)NC(CCCC[NH3+])CC(N)=O)NC(=O)C1CCCCC1[NH3+] | [C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][NH3+1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][NH3+1] |
N#CC1C(c2ccc(c3cccc(F)c3)cc2)C(CO)N1C(=O)c1cccnc1 | [N][#C][C][C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][Branch1][Ring1][C][O][N][Ring2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CN(CC1CC(O)C1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 | [C][N][Branch1][O][C][C][C][C][Branch1][C][O][C][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N] |
CCCC(CCCC1CCC(O)CC1)C(=O)[O-] | [C][C][C][C][Branch1][#C][C][C][C][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=Branch1][C][=O][O-1] |
CN(CC(F)F)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 | [C][N][Branch1][#Branch1][C][C][Branch1][C][F][F][C][=Branch1][C][=O][N][C][C][Branch1][#C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][N][=N][Ring1][Branch2][C][Ring1][N] |
COCCNc1nccn1Cc1ccc(C(C)C)cc1 | [C][O][C][C][N][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2] |
CCC(C)NC(=O)c1cccc(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3ccc(OC)c(NC(=O)c4ccccc4F)c3)CC2)c1C | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Branch1][S][N][C][=Branch1][C][=O][C][NH1+1][C][C][C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring2][Ring1][C][C][C][Ring2][Ring2][C][=C][Ring2][Ring2][N][C] |
CC(=O)N1CCCc2nc(C[NH3+])cnc21 | [C][C][=Branch1][C][=O][N][C][C][C][C][=N][C][Branch1][Ring1][C][NH3+1][=C][N][=C][Ring1][Branch2][Ring1][N] |
O=S(Cc1ccccc1Cc1ccccc1)Cc1ccccc1Cc1ccccc1 | [O][=S][Branch2][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=C(c1ccoc1)N1CCCC(c2nc3ccc(c4ccncc4)cn3n2)C1 | [O][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][N][C][C][C][C][Branch2][Ring1][Branch2][C][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][N][Ring1][N][N][=Ring1][#C][C][Ring2][Ring1][Branch1] |
Fc1cccc(Cn2ccc3cc(C=Nc4ccc(F)cc4F)ccc32)c1 | [F][C][=C][C][=C][C][Branch2][Ring1][S][C][N][C][=C][C][=C][C][Branch1][#C][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][C][=C][Ring1][S][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch2] |
O=S(=O)([O-])C(F)(F)CCCCCCCO | [O][=S][=Branch1][C][=O][Branch1][C][O-1][C][Branch1][C][F][Branch1][C][F][C][C][C][C][C][C][C][O] |
O=c1cc(C2CC2)[nH]c(c2ccc(Br)cc2C(F)(F)F)n1 | [O][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Ring2] |
Cc1ccc(NC(=O)c2cccc(NC(=O)C[NH+]3CCC(C(=O)NC(C(=O)Nc4ccccc4C(C)C)C(C)C)CC3)c2C)cc1F | [C][C][=C][C][=C][Branch2][=Branch1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Branch1][Ring1][N][C][=Branch1][C][=O][C][NH1+1][C][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring2][Ring1][C][C][=C][Ring2][Ring2][=N][F] |
CC1CN(c2ccnc(N(C)C)n2)CC(CO)O1 | [C][C][C][N][Branch1][S][C][=C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][=Branch2][C][C][Branch1][Ring1][C][O][O][Ring1][P] |
CC(C)(C[NH2+]Cc1ccccc1)c1ccc(N)cc1 | [C][C][Branch1][C][C][Branch1][N][C][NH2+1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1] |
CC(C)(C)c1cccc(Oc2cc(c3ccc(OC(F)(F)F)cc3)ccc2C=O)c1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring2][C][O][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][=C][C][=C][Ring1][P][C][=O][=C][Ring2][Ring1][#Branch2] |
COC(=O)CCCCC=C(COc1cccc2ccccc12)C(=O)NC1CC[NH+](C2CCCC2)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][C][C][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][NH1+1][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][O] |
CN(CCCc1ccccc1)C(C)(C)C[NH3+] | [C][N][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][NH3+1] |
CCn1c(SCC(=O)Nc2ccc(Br)cc2Cl)nnc1C(C)Oc1ccc(OC)cc1 | [C][C][N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl][=N][N][=C][Ring2][Ring1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
C=CCOCC(F)(OC(F)(F)C(F)(OC(F)(F)C(=C)F)C(F)(F)F)C(F)(F)F | [C][=C][C][O][C][C][Branch1][C][F][Branch2][Ring2][Ring2][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][=C][O][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=C][F][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] |
CC1CC(C(=O)[O-])CN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C1 | [C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][N][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][F][F][C][Ring2][Ring1][#Branch1] |
CCOC(=O)CSCC(=O)Nc1sc(c2ccccc2)c(C)c1C(=O)OCC | [C][C][O][C][=Branch1][C][=O][C][S][C][C][=Branch1][C][=O][N][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][C][=Ring1][N][C][=Branch1][C][=O][O][C][C] |
CCC(CC)(C([NH2+]C)c1ccc(OC)cc1C)N(C)C | [C][C][C][Branch1][Ring1][C][C][Branch2][Ring1][Ring1][C][Branch1][Ring1][NH2+1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][N][Branch1][C][C][C] |
CCOc1ccc(n2c(C)cc(C(=O)COC(=O)c3c(OC)cccc3OC)c2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring2][Branch2][N][C][Branch1][C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][=Branch1][C][C][=C][Ring2][Ring1][=N] |
COc1ccc(CC#N)c2scc(N)c12 | [C][O][C][=C][C][=C][Branch1][Ring2][C][C][#N][C][S][C][=C][Branch1][C][N][C][Ring1][=N][=Ring1][=Branch1] |
Cc1cc(OCC(=O)NC2CCCCC2)nc2c1c(C)nn2C | [C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][Ring1][P][C][Branch1][C][C][=N][N][Ring1][=Branch1][C] |
Cc1ccc(CNc2ccc3c(c2)C(=O)NC3=O)cc1F | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][Ring1][F] |
CCC(C)C(NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)C(C)NC(=O)C(CCCC[NH3+])NC(=O)CNC(=O)C(CC(N)=O)NC(=O)C[NH3+])C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCCC[NH3+])C(=O)NC(CCC(=O)[O-])C(=O)NC(CCCC[NH3+])C(=O)NC(C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCC(=O)[O-])C(=O)NC(CCC(=O)[O-])C(=O)[O-])C(C)C)C(C)C | [C][C][C][Branch1][C][C][C][Branch2][#Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch2][Branch1][S][N][C][=Branch1][C][=O][C][Branch2][Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][NH3+1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][NH3+1][C][Branch1][C][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][#Branch2][Ring2][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][NH3+1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][NH3+1][C][=Branch1][C][=O][N][C][Branch2][=Branch1][=N][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][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][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][Branch1][C][C][C][C][Branch1][C][C][C] |
CCCNC(=O)C(CC)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 | [C][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=C(CC1COCC[NH2+]1)NC1CCN(c2ccccc2)C1=O | [O][=C][Branch1][#Branch2][C][C][C][O][C][C][NH2+1][Ring1][=Branch1][N][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O] |
ClB(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 | [Cl][B][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1ccc(OCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][O][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1][Cl] |
Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc([O-])c([N+](=O)[O-])c2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][=Branch2][C][S][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][N][=C][C][=C][C][=C][Branch1][C][O-1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][S] |
CCCCNc1nc(c2ccc(C)n(C)c2=O)cs1 | [C][C][C][C][N][C][=N][C][Branch1][S][C][=C][C][=C][Branch1][C][C][N][Branch1][C][C][C][Ring1][Branch2][=O][=C][S][Ring1][=C] |
CCOC(=O)SSCCCCSSC(=O)OCC | [C][C][O][C][=Branch1][C][=O][S][S][C][C][C][C][S][S][C][=Branch1][C][=O][O][C][C] |
C[NH2+]CC1CCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 | [C][NH2+1][C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N] |
COc1ccc(CN2CC(C)c3c(Nc4ccccc4S(=O)(=O)NC4CCCCC4)nc(Nc4ccc(N5CCOCC5)cc4OC)nc32)cc1 | [C][O][C][=C][C][=C][Branch2][=Branch1][Branch2][C][N][C][C][Branch1][C][C][C][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][O][C][N][=C][Ring2][Ring2][=Branch1][Ring2][Ring2][#Branch2][C][=C][Ring2][Ring2][P] |
C#CC(C#C)=C(C#C)C#CC=O | [C][#C][C][Branch1][Ring1][C][#C][=C][Branch1][Ring1][C][#C][C][#C][C][=O] |
CC(C)(C)OOC(c1ccccc1)(c1ccccc1)c1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
FC(c1ccc(Cl)c(Cl)c1)C1CCC[NH2+]C1 | [F][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][C][C][NH2+1][C][Ring1][=Branch1] |
CCCn1ncnc1C[NH+](CCOC)CCC(=O)OC | [C][C][C][N][N][=C][N][=C][Ring1][Branch1][C][NH1+1][Branch1][Branch1][C][C][O][C][C][C][C][=Branch1][C][=O][O][C] |
O=C(NCc1cccnc1)c1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][NH1+1][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N][=C][Ring2][Ring1][Ring2] |
CCOCCNC(=O)C1CCNc2ccccc21 | [C][C][O][C][C][N][C][=Branch1][C][=O][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
CCCC(=O)Cc1ccc(OC)cc1 | [C][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
Cc1ccsc1c1n[nH]c(S(N)(=O)=O)n1 | [C][C][C][=C][S][C][=Ring1][Branch1][C][=N][NH1][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=N][Ring1][=Branch2] |
N#CCc1c(OC(F)(F)F)ccnc1Br | [N][#C][C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][N][=C][Ring1][O][Br] |
CCOc1ccc2cc(C(=O)NC)c(=O)oc2c1 | [C][C][O][C][=C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][Ring1][O][=C][Ring1][#C] |
O=CC(O)C=Cc1ccccc1 | [O][=C][C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CNc1ccc2c(c1)nc1cc(I)ccn12 | [C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][C][=C][Branch1][C][I][C][=C][N][Ring1][#Branch1][Ring1][O] |
CCCCc1nc(C)n(c2ccc(OC(C)(C)C)cc2)c(=O)c1Cc1ccc(c2ccccc2)c(c2nc(=O)o[nH]2)c1 | [C][C][C][C][C][N][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][O][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring1][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][C][=N][C][=Branch1][C][=O][O][NH1][Ring1][=Branch1][=C][Ring2][Ring1][C] |
CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCCCC1 | [C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][C][C][C][C][C][Ring1][=Branch1] |
O=C(Nc1ccccc1N1CCCCC1)c1cc2c(F)cccc2s1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2] |
CCS(C)(=O)=Nc1ccc(Oc2ccc(F)cc2F)c(c2cn(C)c(=O)c3[nH]ccc32)c1 | [C][C][S][Branch1][C][C][=Branch1][C][=O][=N][C][=C][C][=C][Branch1][=C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][Branch2][Ring1][Ring2][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][NH1][C][=C][C][=Ring1][Branch1][Ring1][O][=C][Ring2][Ring1][#Branch2] |
CCc1cc2c(c(Br)c1O)OC(=O)C(c1csc(C)n1)C2 | [C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][Br][=C][Ring1][#Branch1][O][O][C][=Branch1][C][=O][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][Ring1][P] |
CCCCNS(=O)(=O)c1ccccc1C=C(C)C(=O)[O-] | [C][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][C][C][=Branch1][C][=O][O-1] |
CC[NH2+]C(Cc1ccc(Cl)c(F)c1)c1cc(F)ccc1F | [C][C][NH2+1][C][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F] |
Cc1ccccc1N(CCCC(=O)N(Cc1c(Cl)cccc1Cl)C(C)C(=O)NC(C)C)S(C)(=O)=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring2][=Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O] |
CC[NH2+]C1CCCc2nc(N(C)Cc3cc(Br)cs3)sc21 | [C][C][NH2+1][C][C][C][C][C][N][=C][Branch1][S][N][Branch1][C][C][C][C][=C][C][Branch1][C][Br][=C][S][Ring1][=Branch1][S][C][=Ring1][=C][Ring2][Ring1][C] |
Cc1csc2nc(c3cc(Cl)ccc3Cl)c(C=O)n12 | [C][C][=C][S][C][=N][C][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][=C][Branch1][Ring1][C][=O][N][Ring2][Ring1][C][Ring1][#C] |
O=C1CCN1c1cccc(CNC(=O)C2([NH+]3CCOCC3)CCC2)c1 | [O][=C][C][C][N][Ring1][Ring2][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][NH1+1][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] |
Nc1nc(=O)c2[nH]c(SCc3nnco3)nc2[nH]1 | [N][C][=N][C][=Branch1][C][=O][C][NH1][C][Branch1][#Branch2][S][C][C][=N][N][=C][O][Ring1][Branch1][=N][C][=Ring1][N][NH1][Ring1][P] |
Cc1nc(C[NH+]2CCCN(C(=O)Cc3nc(c4ccccc4)sc3C)CC2)cs1 | [C][C][=N][C][Branch2][Ring2][=Branch1][C][NH1+1][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][C][C][Ring2][Ring1][=Branch1][=C][S][Ring2][Ring1][N] |
CCN(CC1CCC1)c1sc(C(=O)C2CC2)c(N)c1OC | [C][C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C][S][C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Branch1][C][N][C][=Ring1][O][O][C] |
CC(CN1CCCCC1)[NH2+]C(C)c1ccc(I)cc1 | [C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][NH2+1][C][Branch1][C][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1] |
COc1ccccc1C(Br)c1cc2c(cc1Br)OCCO2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Br][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Br][O][C][C][O][Ring1][=Branch2] |
O=C1NC(=O)N(CCCn2ccnc2)C1c1cccc(Cl)c1 | [O][=C][N][C][=Branch1][C][=O][N][Branch1][O][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][Ring1][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |