molecule_smiles
stringlengths 1
1.82k
| SELFIES
stringlengths 3
6.66k
|
|---|---|
CC(C)CC(=O)O[C@@H]1[C@H](O)[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](Oc3ccc(CC4NC(=O)C([C@@H](C)c5ccccc5)NC(=O)CNC(=O)C(CO)NC(=O)C([C@@H](O)[C@@H]5CN=C(N)N5[C@H]5O[C@H](O)[C@@H](O)[C@H](O)[C@@H]5O)NC(=O)C([C@@H](O)[C@@H]5CN=C(N)N5)NC4=O)cc3)O[C@@H]2CO)O[C@H](CO)[C@H]1O | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C@@H1][C@H1][Branch1][C][O][C@@H1][Branch2][#Branch2][=C][O][C@H1][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch2][=Branch2][=Branch2][O][C][=C][C][=C][Branch2][Branch2][N][C][C][N][C][=Branch1][C][=O][C][Branch1][=N][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch2][Ring1][P][C@@H1][Branch1][C][O][C@@H1][C][N][=C][Branch1][C][N][N][Ring1][=Branch1][C@H1][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][N][C][=Branch1][C][=O][C][Branch1][#C][C@@H1][Branch1][C][O][C@@H1][C][N][=C][Branch1][C][N][N][Ring1][=Branch1][N][C][Ring2][Branch1][O][=O][C][=C][Ring2][=Branch1][Ring1][O][C@@H1][Ring2][=Branch1][N][C][O][O][C@H1][Branch1][Ring1][C][O][C@H1][Ring2][#Branch1][Branch2][O] |
CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCCCCCCCCCCN)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(cc3)Oc3cc2cc(c3O)Oc2ccc(cc2)[C@H]1O | [C][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch2][Branch1][Ring1][C][=Branch1][C][=O][N][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][N][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=C][C][Ring2][Ring2][C][=C][C][=C][Ring1][=Branch1][O][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][Ring2][Branch1][=Branch1][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@H1][Ring2][=Branch1][=C][O] |
CCC1=NC(=O)C(Cc2cccs2)NC(=O)C(C(C)C)NC(=O)C([C@H](C)CC)NC(=O)C(NC(=O)C(NC(=O)C(CCCN)NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CC[C@@H](C)CC)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@H](C)CC)[C@H](C)OC(=O)C(C(C)C)NC1=O | [C][C][C][=N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch2][Branch2][O][N][C][=Branch1][C][=O][C][Branch2][#Branch1][N][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch2][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C][C][Branch1][C][C][C][C@H1][Branch1][C][C][C][C][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][Branch2][Branch1][=O] |
CCCCCCCCC/C=C/C=C/C=C/C(=O)O[C@@]12C[C@@H](C)[C@]3(O)C4=CC(C)C(=O)[C@@]4(O)[C@H](O)[C@@]4(CO)O[C@H]4[C@H]3[C@@H]1C2(C)C | [C][C][C][C][C][C][C][C][C][/C][=C][/C][=C][/C][=C][/C][=Branch1][C][=O][O][C@@][C][C@@H1][Branch1][C][C][C@][Branch1][C][O][C][=C][C][Branch1][C][C][C][=Branch1][C][=O][C@@][Ring1][#Branch1][Branch1][C][O][C@H1][Branch1][C][O][C@@][Branch1][Ring1][C][O][O][C@H1][Ring1][Branch1][C@H1][Ring2][Ring1][C][C@@H1][Ring2][Ring1][#Branch1][C][Ring2][Ring1][Branch2][Branch1][C][C][C] |
CCN(CC)Cc1c[nH]c(C)c(O)c1=O | [C][C][N][Branch1][Ring1][C][C][C][C][=C][NH1][C][Branch1][C][C][=C][Branch1][C][O][C][Ring1][Branch2][=O] |
N=c1sc2ccccc2n1CCN1CCC(c2ccc(F)cc2)CC1 | [N][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][N][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] |
CC(NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccccc1)[C@@H](C)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC1CSSCC(C(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC1=O | [C][C][Branch2][=Branch1][Ring2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][S][S][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][Ring2][Ring2][Ring2][=O] |
C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(OC)c3)C1=O)C2=O | [C][=C][Branch1][C][C][C@@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][C@@][C][C@@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C@@][Branch1][Branch2][C][C][=C][Branch1][C][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][Ring2][Ring1][S][=O][C][Ring2][Ring2][C][=O] |
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]3COC(=O)C23)OCO4)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Branch1][Branch2][C@@H1][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][Ring1][=Branch1][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][C][O][C][=Branch1][C][=O][C][Ring2][Ring1][#Branch2][Ring1][=Branch1][O][C][O][Ring2][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Branch1][O][C] |
CO[C@]1(CC[C@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C | [C][O][C@][Branch2][Ring1][N][C][C][C@H1][Branch1][C][C][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][O][C@H1][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch2][=Branch1][S][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][=Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][O][C@H1][Ring2][Ring1][#C][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C][C][C@][Ring2][Ring2][P][Branch1][C][C][C@H1][Ring2][Branch1][=Branch1][C][C][C@][Ring2][Branch1][#Branch2][Branch1][C][C][C@H1][Ring2][Branch1][=C][C@@H1][Ring2][#Branch1][C][C] |
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(S(=O)(=O)c4cccc(NC(C)=O)c4)CC3)c(F)c2)C(=O)O1 | [C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Branch1][Ring1][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][C][N][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1][C][Branch1][C][F][=C][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][O][Ring2][Ring1][S] |
COc1ccc(OCC2=NC(c3ccccc3)c3ccccc3CN2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][P][C][C][=C][Ring2][Ring1][#Branch2] |
CCN(CC)/C(=N\C#N)C1=CC(C)(C)Oc2ccc([N+](=O)[O-])cc21 | [C][C][N][Branch1][Ring1][C][C][/C][=Branch1][Ring2][=N][\C][#N][C][=C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Ring1][#C] |
C=C(C)C(=O)CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O | [C][=C][Branch1][C][C][C][=Branch1][C][=O][C][C][/C][Branch1][C][C][=C][/C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@H1][Branch2][Ring1][Ring2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@H1][Ring2][Ring1][#C][O] |
COc1cccc(CN2CCC[C@@H]2[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][N][C][C][C][C@@H1][Ring1][Branch1][C@H1][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Ring1][=C] |
Cc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 | [C][C][=C][Branch1][#C][N][C][C][C@@H1][Branch1][=Branch1][C@H1][Branch1][C][C][N][C][Ring1][Branch2][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][N][Branch1][C][N][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][=Branch2][=Ring1][N] |
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(OC(=O)N(C)CCN(C)C(=O)OCc3ccc(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)c([N+](=O)[O-])c3)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][C@@H1][Branch2][Branch2][C][O][C][=Branch1][C][=O][C][Branch2][Branch1][S][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C@@H1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][O][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][=Branch1][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@][Branch1][C][O][Branch2][Ring2][S][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][O][C@@H1][Ring1][Branch2][C][C@H1][Branch1][C][O][C@@][Ring1][=N][Branch1][C][C][C][Ring2][#Branch1][#Branch1][=O][C][Ring2][#Branch1][Branch2][Branch1][C][C][C] |
CC[C@H](C)C1NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)C(C)NC(=O)C(NC(=O)CCCCCCCN)CSSCC(C(=O)NC(Cc2ccccc2)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C([C@@H](C)CC)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)NC1=O | [C][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][N][C][S][S][C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][Ring2][Branch2][=C][=O] |
CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(=O)C3CC3)CC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch2][Ring2][P][N][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][C@H1][Ring1][O][C][N][C][C][C][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=C][=N][C][=Ring2][Ring2][Ring1][C] |
CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(N(C)C)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 | [C][C][C@][C][=C][C][N][C][C][C@@][Branch2][Branch2][Branch2][C][=C][C][Branch2][Branch1][#Branch2][C@@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C@H1][C][C@@H1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][F][F][C][N][Branch2][Ring1][#Branch2][C][C][C][=C][Ring2][Ring1][Ring1][NH1][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][N][Ring1][=Branch2][C][Ring2][Ring1][Branch2][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring2][=Branch1][N][Branch1][C][C][C@H1][Ring2][Ring2][#Branch2][C@@][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@@H1][Ring2][Branch1][Branch2][O][C][Branch1][C][C][=O][C@@H1][Ring2][Branch1][=Branch2][Ring2][Branch1][=N] |
CCCCc1oc2ccccc2c1Cc1cccc(/C(C)=C/Cn2oc(=O)[nH]c2=O)c1 | [C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][=C][C][=C][C][Branch2][Ring1][C][/C][Branch1][C][C][=C][/C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][=C][Ring1][P] |
Cc1ccc(C(N)=O)cc1Nc1ncnc2c1cnn2-c1ccccc1 | [C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1ccc(CNC(=O)NC(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cn1 | [C][C][=C][C][=C][Branch2][=Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch2][Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=N][Ring2][Ring2][S] |
O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N2C1Cc1c([nH]c3ccccc13)C2c1ccccc1 | [O][=C][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][P][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCS(=O)(=O)c1ccc2oc(Cc3ccc(C)cc3)nc2c1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][Ring1][=N][=C][Ring1][P] |
c1ccc(CCC2=NOC(c3ccccc3)C2)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring2][C][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][=C][Ring2][Ring1][Ring1] |
CC(=O)O[C@@H]1[C@H]2[C@@H](O)[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC/C=C/c4ccccc4)CC[C@@H](C)[C@@]13OC2(C)C | [C][C][=Branch1][C][=O][O][C@@H1][C@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Branch1][C][C][C@@H1][Branch1][=N][O][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@@H1][Branch1][C][C][C@@][Ring2][Ring1][S][Ring2][Ring1][C][O][C][Ring2][Ring1][P][Branch1][C][C][C] |
CN(C)c1cccc2c(S(=O)(=O)Nc3cnc(Br)cn3)cccc12 | [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][P] |
CC(C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1)c1ccc(-c2ccccc2S(C)(=O)=O)cc1F | [C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][=Branch2][C][=C][C][=C][O][N][=C][Branch1][C][N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][S][F] |
CC[C@H](C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CS)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(N)CCC(N)=O)[C@@H](C)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)O | [C][C][C@H1][Branch1][C][C][C][Branch2][=N][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch2][Branch1][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][O] |
Cc1c(CN2CCCC2)c2cc(NC(=O)NC(Cc3ccc4ccccc4c3)C(=O)NC(CCCN=C(N)N)C(=O)NCc3ccccc3)ccc2n1Cc1c(Cl)cccc1Cl | [C][C][=C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=C][C][Branch2][Branch1][Branch2][N][C][=Branch1][C][=O][N][C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring2][O][N][Ring2][Branch1][Ring2][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] |
CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)NC(CC(=O)O)C(=O)NC1CSSCC(C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(Cc2c[nH]cn2)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(N)=O)NC(=O)C(CC(C)C)NC(=O)C([C@@H](C)O)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC1=O | [C][S][C][C][C][Branch2][#Branch1][P][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][S][S][C][C][Branch2][#Branch1][Ring1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][Ring2][Branch2][C][=O] |
COc1ccc(CO[C@H]2[C@H](O)[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](Oc4ccc(CC5NC(=O)C([C@@H](C)c6ccccc6)NC(=O)CNC(=O)C(CO)NC(=O)C([C@@H](O)[C@@H]6CN=C(N)N6[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)NC(=O)C([C@@H](O)[C@@H]6CN=C(N)N6)NC5=O)cc4)O[C@@H]3CO)O[C@@H]2CO)cc1OCc1ccccc1 | [C][O][C][=C][C][=C][Branch2][N][Branch1][C][O][C@H1][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch2][#Branch2][#C][O][C@H1][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch2][=Branch2][#Branch2][O][C][=C][C][=C][Branch2][Branch2][=N][C][C][N][C][=Branch1][C][=O][C][Branch1][=N][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch2][Ring2][C][C@@H1][Branch1][C][O][C@@H1][C][N][=C][Branch1][C][N][N][Ring1][=Branch1][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][O][N][C][=Branch1][C][=O][C][Branch1][#C][C@@H1][Branch1][C][O][C@@H1][C][N][=C][Branch1][C][N][N][Ring1][=Branch1][N][C][Ring2][Branch1][N][=O][C][=C][Ring2][=Branch1][Ring2][O][C@@H1][Ring2][=Branch1][=N][C][O][O][C@@H1][Ring2][#Branch1][Branch2][C][O][C][=C][Ring2][Branch2][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(C)(C)C(NC(=O)NC1(C(=O)OCc2ccco2)CCCCC1)C(=O)N1C[C@H]2C(C1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C | [C][C][Branch1][C][C][Branch1][C][C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][N][C][Branch1][=C][C][=Branch1][C][=O][O][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][Ring1][#C][C][=Branch1][C][=O][N][C][C@H1][C][Branch2][Ring1][O][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][Branch1][C][N][=O][C][Ring1][P][Branch1][C][C][C] |
O=c1[nH]cnc2c1ncn2C(COCCP(=O)(O)O)COCCP(=O)(O)O | [O][=C][NH1][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][Branch1][=N][C][O][C][C][P][=Branch1][C][=O][Branch1][C][O][O][C][O][C][C][P][=Branch1][C][=O][Branch1][C][O][O] |
N#Cc1ccc2cc1Oc1cccc(c1)C(c1cccc(Cl)c1)N1CCC(NCc3cncn3C2)C1=O | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][C][Branch1][=C][N][C][C][=C][N][=C][N][Ring1][Branch1][C][Ring2][Ring1][=C][C][Ring1][=N][=O] |
COC1=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC(=O)[C@]3(O)[C@H](C)[C@H](CCC(C)C)O[C@@H]3OC[C@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4OC(=O)c4ccc(OC)cc4)[C@H]3OC(C)=O)[C@@H]2C1 | [C][O][C][=C][C][C@@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][=Branch1][S][C][C][=Branch1][C][=O][C@][Ring1][#Branch1][Branch1][C][O][C@H1][Branch1][C][C][C@H1][Branch1][Branch2][C][C][C][Branch1][C][C][C][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][P][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C@H1][Ring2][Ring1][O][O][C][Branch1][C][C][=O][C@@H1][Ring2][Branch1][Ring2][C][Ring2][Branch1][=C] |
Oc1ccc(N=C(Cc2ccc(Cl)cc2)c2ccc(O)c(O)c2O)cc1 | [O][C][=C][C][=C][Branch2][Ring1][S][N][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][=Branch2] |
O=C(O)C1C[C@@H](O)CCN1 | [O][=C][Branch1][C][O][C][C][C@@H1][Branch1][C][O][C][C][N][Ring1][#Branch1] |
COC(=O)C(CC(C)C)N1C(=O)C2Cc3c([nH]c4ccccc34)CN2C1(C)C | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][N][Ring1][=N][C][Ring1][P][Branch1][C][C][C] |
C[C@H]1[C@@H](OCC(CO[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)OC(=O)CCC(=O)O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 | [C][C@H1][C@@H1][Branch2][Branch1][=Branch1][O][C][C][Branch2][Ring2][Ring2][C][O][C@H1][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@H1][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][Branch1][C@H1][Ring1][#C][C][C@@][Ring1][#C][Ring1][=Branch2][O][O][Ring1][#C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@H1][C@H1][Branch1][C][C][C][C][C@@H1][Ring2][Ring2][#C][C@@][Ring1][=N][Ring1][#Branch1][O][O][Ring1][=N] |
CCOP(=O)(OCC)OCc1ccc(S(=O)(=O)CC(C[C@H]2O[C@@H]3C[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)C[C@H]2O[C@@H]3C[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)cc1 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C][=C][C][=C][Branch2][=Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring2][Ring1][C][C@H1][O][C@@H1][C][C@][Branch1][C][C][C][C][C@H1][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][Branch1][C@H1][Ring1][#C][C][C@@][Ring1][#C][Ring1][=Branch2][O][O][Ring1][#C][C][C@H1][O][C@@H1][C][C@][Branch1][C][C][C][C][C@H1][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][Branch1][C@H1][Ring1][#C][C][C@@][Ring1][#C][Ring1][=Branch2][O][O][Ring1][#C][C][=C][Ring2][Branch1][Ring1] |
CC[C@H](C)C1NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(NC(=O)C(CO)NC(=O)C(N)CO)CSSCC(C(=O)NC(Cc2ccccc2)C(=O)NCC(=O)O)NC(=O)C([C@@H](C)CC)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)NC1=O | [C][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][C][N][C][O][C][S][S][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][Ring2][Branch2][Branch2][=O] |
CN1CCN(CCNC(=O)COc2ccc3oc4c(NCCN5CCN(C)CC5)c5ccccc5[n+](C)c4c3c2)CC1 | [C][N][C][C][N][Branch2][Branch1][=Branch2][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][O][C][=C][Branch1][#C][N][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][Branch1][C][C][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N][C][C][Ring2][Ring2][=Branch2] |
CN(Cc1ccccc1)C(=S)N1CCC(c2cccc(Cl)c2)=N1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=S][N][C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring1][N] |
CC1NC(=O)C([C@@H](C)O)NC(=O)CNC(=O)C(Cc2c[nH]cn2)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)CC(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CC(N)=O)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)C2CCCN2C1=O | [C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][Branch2][#Branch2][#Branch2][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][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][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][Ring2][O][Ring1][=O] |
CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5[C@](C)(C(=O)O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6OC(C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)OC1=O | [C][C][=C][C][C@@H1][Branch2][#Branch1][S][C@@H1][Branch1][C][C][C@H1][C][C][C@@][Branch1][C][C][C@@H1][C][C][C@H1][C@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch2][Ring2][O][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][O][O][C][C][C@@][Ring2][Ring2][C][C][C@@][Ring2][Ring2][#Branch1][Ring1][Ring1][C][C][C@][Ring2][Ring2][#C][Ring2][Ring2][N][C][O][C][Ring2][Branch1][Branch2][=O] |
CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1cccnc1)C(=O)NC(CO)C(=O)NC(Cc1ccc(NC(=O)NC(=O)C(N)CC(N)=O)cc1)C(=O)NC(Cc1ccc(NC(N)=O)cc1)C(=O)NC(CC(C)C)C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)O | [C][C][=Branch1][C][=O][N][C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch2][Ring2][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][O][C][C][C][C][N][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][O] |
COC[C@H]1OC(=O)C2=C1N=C1COCC(=O)C1[C@H]2c1ccc(F)c(Br)c1 | [C][O][C][C@H1][O][C][=Branch1][C][=O][C][=C][Ring1][=Branch1][N][=C][C][O][C][C][=Branch1][C][=O][C][Ring1][#Branch1][C@H1][Ring1][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Br][=C][Ring1][Branch2] |
CN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4ccccc4C(N)=O)n3)cc2)CC1 | [C][N][C][C][N][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][N][C][=N][C][=C][Branch1][Ring1][C][#N][C][Branch1][#C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2][C][C][Ring2][Ring1][#C] |
Cc1cn(C2C=CC(COP3(=O)OCc4cc(CCC(=O)OCc5ccccc5)ccc4O3)O2)c(=O)[nH]c1=O | [C][C][=C][N][Branch2][Branch1][Ring1][C][C][=C][C][Branch2][Ring2][Branch2][C][O][P][=Branch1][C][=O][O][C][C][=C][C][Branch1][P][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][#Branch1][O][Ring2][Ring1][=C][C][=Branch1][C][=O][NH1][C][Ring2][Ring2][Branch1][=O] |
C=c1cc2/c(=C/c3cc4ccccc4s3)oc(O)c2c(=O)[nH]1 | [C][=C][C][=C][/C][=Branch1][#C][=C][/C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][O][C][Branch1][C][O][=C][Ring1][S][C][=Branch1][C][=O][NH1][Ring2][Ring1][Branch1] |
O=C(O)c1cc(F)ccc1Cn1nnc(-c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)n1 | [O][=C][Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][N][N][=N][C][Branch2][Ring1][S][C][=C][C][=C][C][Branch2][Ring1][Ring2][/C][=C][/C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][Branch2] |
CC[C@H](C)C(NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(CCSC)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)O | [C][C][C@H1][Branch1][C][C][C][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch3][Ring1][Ring2][#C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][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][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch2][#C][#Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][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][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O] |
Cn1c(CSCC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccccc1 | [C][N][C][Branch1][P][C][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CSCCC(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(CS)NC(=O)C(CC(N)=O)NC(=O)C(CCCN=C(N)N)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CO)C(C)C)[C@@H](C)O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)O)[C@@H](C)O | [C][S][C][C][C][Branch2][Branch2][=C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][#Branch1][#Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][=Branch1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][O][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch2][#Branch1][P][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O] |
CC[C@H](C)C1NC(=O)C(CCC(N)=O)NC(=O)C(N)CSSCC(C(=O)O)NC(=O)C2CCCN2C(=O)C(CO)NC(=O)C(CC(=O)O)NC1=O | [C][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][C][N][C][S][S][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][Ring2][Ring2][=C][=O] |
CC(=O)OC/C1=C\[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](O)/C(OC(C)=O)=C(\C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C | [C][C][=Branch1][C][=O][O][C][/C][=C][\C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][=C][Branch2][Ring2][#C][C@@H1][Branch1][C][O][/C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Branch1][C][\C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@@H1][Ring2][Ring1][P][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][=Branch1][Branch1][C][C][C] |
Cc1ccc(S(=O)(=O)N/N=C2\CC[C@@]3(C)[C@@H](CC[C@@]4(C)[C@H]3[C@@H](O)CC3=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@@]34C)C2(C)C)cc1 | [C][C][=C][C][=C][Branch2][=Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][/N][=C][\C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][C][C][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C@@H1][Branch1][C][O][C][C][=C][Branch2][Ring1][=Branch1][C@H1][Branch1][C][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][C][C][C@@][Ring1][S][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][S][Branch1][C][C][C][C][=C][Ring2][Ring2][=N] |
CCCN1CCO[C@H]2c3cc(C(N)=O)ccc3CC[C@@H]21 | [C][C][C][N][C][C][O][C@H1][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][Ring1][=Branch2][C][C][C@@H1][Ring1][=N][Ring1][P] |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@H]7[C@](C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)(CC[C@@H](C)[C@@]7(C)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O | [C][C@@H1][O][C@@H1][Branch2][=Branch2][N][O][C@H1][C@H1][Branch2][#Branch1][Branch2][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C][C][=C][C@H1][C@][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][Branch1][#C][C][C][C@@H1][Branch1][C][C][C@@][Ring2][Ring1][Branch1][Branch1][C][C][O][C][C][C@@][Ring2][Ring1][O][Branch1][C][C][C@][Ring2][Ring1][S][Branch1][C][C][C][C][C@H1][Ring2][Ring2][=Branch1][C][Ring2][Ring2][#Branch2][Branch1][C][C][C][O][C][C@H1][Branch1][C][O][C@@H1][Ring2][Branch1][Ring2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch1][=Branch2][O] |
C=C[C@]1(C)CC[C@@H]2[C@@]3(C)CCC[C@](C)(CO[C@@H]4O[C@@H](C(O)OC(C)=O)[C@H](O)[C@]4(O)OC(C)=O)[C@@H]3CC[C@@]2(C)O1 | [C][=C][C@][Branch1][C][C][C][C][C@@H1][C@@][Branch1][C][C][C][C][C][C@][Branch1][C][C][Branch2][Ring2][C][C][O][C@@H1][O][C@@H1][Branch1][O][C][Branch1][C][O][O][C][Branch1][C][C][=O][C@H1][Branch1][C][O][C@][Ring1][N][Branch1][C][O][O][C][Branch1][C][C][=O][C@@H1][Ring2][Ring1][O][C][C][C@@][Ring2][Ring1][#C][Branch1][C][C][O][Ring2][Ring2][Branch1] |
C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][#Branch1][#Branch2][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][Branch2][O][C@@H1][O][C][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring1][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring2][Branch2][C][C][C@][Ring2][Ring2][N][Ring2][Ring2][P][C][C@@H1][Ring2][Branch1][N][Ring2][Branch1][=Branch2] |
CC(C)CC(C(=O)O)N1C(=O)C(=C(c2ccccc2)c2ccccc2)SC1=S | [C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=Branch2][Ring1][Ring2][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring2][Ring1][Ring1][=S] |
CC#CCOc1ccc(S(=O)(=O)NC(Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)O)cc1 | [C][C][#C][C][O][C][=C][C][=C][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch2][Ring1][=N][C][C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][S] |
Cc1cccc(OCc2cn(CCn3c([N+](=O)[O-])cnc3C)nn2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=C][O][C][C][=C][N][Branch2][Ring1][C][C][C][N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][N][=C][Ring1][Branch2][C][N][=N][Ring1][S][=C][Ring2][Ring1][Branch2] |
CCC(=O)OC[C@@]1(O)[C@H](OC(C)=O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C=C(CC)CN(CCc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 | [C][C][C][=Branch1][C][=O][O][C][C@@][Branch1][C][O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][Branch1][Ring1][C][C][C][=C][C][N][C][C][C@@][Branch2][=Branch1][#Branch1][C][=C][C][Branch2][Ring2][N][C@@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C@@H1][C][=C][Branch1][Ring1][C][C][C][N][Branch2][Ring1][C][C][C][C][=C][Ring1][P][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][P][N][Branch1][C][C][C@@H1][Ring2][Branch1][Branch1][Ring2][Ring2][Branch1][C@@H1][Ring2][Ring2][=Branch2][Ring2][Ring2][#C] |
CC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | [C][C][C@@H1][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][N][Branch2][Ring1][=C][C][Branch1][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][N][=C][Ring1][#Branch1][C][C][C][Ring1][P][C][C@@H1][Ring2][Ring1][#Branch1][C] |
CCN1C(N(C)C)=Nc2ccccc2C1CC(=O)NCc1ccccc1 | [C][C][N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC[C@H](C)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(C)NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(CCSC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(N)CO)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)NC(C)C(N)=O | [C][C][C@H1][Branch1][C][C][C][Branch3][Ring2][C][S][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch3][Ring1][Ring1][S][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch2][S][=Branch2][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch2][=Branch2][=C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch2][Branch1][S][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][C][N][C][O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][Branch1][C][N][=O] |
CC(=O)CC(=O)c1cccnc1 | [C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CO[C@@H]1[C@@H](O[C@H]2CC[C@H](OC)[C@@H](C)O2)[C@H](C)[C@@](O)(CC(=O)O)O[C@H]1[C@H](C)[C@H]1O[C@@]2(CC[C@@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@@H](O)[C@@H](C)C[C@@H](C)[C@@H](C)O)C[C@@H]4O[C@H]4CC[C@H](OC)[C@@H](C)O4)O3)O2)C[C@H](O)[C@H]1C | [C][O][C@@H1][C@@H1][Branch1][P][O][C@H1][C][C][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][C][C][O][Ring1][=Branch2][C@H1][Branch1][C][C][C@@][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][O][C@H1][Ring2][Ring1][=Branch1][C@H1][Branch1][C][C][C@H1][O][C@@][Branch2][=Branch1][Branch2][C][C][C@@][Branch1][C][C][Branch2][Branch1][O][C@H1][C][C][C@@][Branch1][C][C][Branch2][Ring2][=N][C@@H1][O][C@@H1][Branch2][Ring1][Ring1][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][C][C@@H1][Branch1][C][C][C@@H1][Branch1][C][C][O][C][C@@H1][Ring1][#C][O][C@H1][C][C][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][C][C][O][Ring1][=Branch2][O][Ring2][Ring1][#C][O][Ring2][Ring2][Branch1][C][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][O][C] |
COc1ccccc1N1CCN(CCCN2C(=O)C3Sc4ccccc4C3N(C)C2=O)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][=C][C][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][N][Branch1][C][C][C][Ring1][#C][=O][C][C][Ring2][Ring1][=Branch2] |
CC(=O)Nc1ccc(CC(NC(=O)C(Cc2ccc(NC(C)=O)cc2)NC(=O)C(CO)NC(=O)C(NC(=O)c2ccncc2)NC(=O)C(Cc2ccc(Cl)cc2)NC(=O)C(Cc2ccc3ccccc3c2)NC(C)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCCNC(C)C)C(=O)N2CCCC2C(=O)NC(C)C(N)=O)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][N][=Branch2][C][C][Branch2][Branch2][O][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][O][C][C][C][C][N][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][Branch1][C][N][=O][C][=C][Ring2][Branch2][N] |
C[C@H](CCCn1nnc(-c2ccccc2)n1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 | [C][C@H1][Branch2][Ring1][Branch1][C][C][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][N][Branch1][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc2ccc(OCc3ccccc3)cc2c1)C(O)C(O)=NO | [N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring1][=N][C][C][=C][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][=C][=C][Ring2][Ring1][C][C][Branch1][C][O][C][Branch1][C][O][=N][O] |
NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2COCc2cn(CCN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)nn2)[C@H](N)[C@@H](O)[C@@H]1O | [N][C][C@@H1][O][C@H1][Branch2][=Branch2][C][O][C@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][#Branch1][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C][C@H1][Branch1][C][N][C@H1][Ring1][=Branch2][O][C@H1][O][C@H1][Branch1][Ring1][C][N][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][O][C@@H1][Ring2][Ring1][N][C][O][C][C][=C][N][Branch2][Ring2][#C][C][C][N][C][C][N][Branch2][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][Branch2][N][=N][Ring2][Ring1][#C][C@H1][Branch1][C][N][C@@H1][Branch1][C][O][C@@H1][Ring2][=Branch1][#Branch1][O] |
CCc1ccnc2c(N3CCCC3=O)cc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CNCc3cccc(C(F)(F)F)c3)cc12 | [C][C][C][=C][C][=N][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring2][#Branch2][Ring2][Ring2][=Branch1] |
CO/C(C)=C1/NC(=O)C([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(N)=O)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3[nH]c4cccc5c4c3CO[C@H](C(O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)C(=O)OC5)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2 | [C][O][/C][Branch1][C][C][=C][/N][C][=Branch1][C][=O][C][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][C][Branch1][C][O][=C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][S][Ring1][Branch2][N][=C][Ring1][#C][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C@@H1][C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][O][C@H1][Branch2][Ring2][#Branch1][C][Branch2][Ring1][#Branch2][O][C@H1][C][C@][Branch1][C][C][Branch1][C][O][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Branch1][C][C][O][Ring1][N][C][=Branch1][C][=O][O][C][Ring2][Ring1][Branch2][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][=C][S][C][Ring2][=Branch1][#C][=N][Ring1][Branch1][C][=N][C][=Branch1][Branch1][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][Ring2][Branch1][Ring2] |
CC(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(CCCCNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O | [C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][Branch3][Ring1][Ring2][S][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch3][Ring1][C][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch2][=C][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch2][#Branch1][=N][C][C][C][C][N][C][=Branch1][C][=O][C][S][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Branch1][C][O][C@@H1][Ring1][S][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O] |
CC(NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccccc1)[C@@H](C)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)O | [C][C][Branch2][=Branch1][Ring2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][O] |
OC(/C=C/C=C/c1ccccc1)CCc1ccccc1 | [O][C][Branch1][=N][/C][=C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCC[C@@H](COC(=O)CC)NC(=O)C(N)CC(=O)O | [C][C][C][C@@H1][Branch1][=Branch2][C][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=Branch1][C][=O][O] |
C[C@@H](O)C(N)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)O | [C][C@@H1][Branch1][C][O][C][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O] |
CCN1CCN(CCCCOC(=O)c2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)CC1 | [C][C][N][C][C][N][Branch2][Ring2][#Branch2][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring1][=N][=O][C][C][Ring2][Ring1][#C] |
CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(C(=O)NC1CSSCC(C(N)=O)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(c2cccnc2)NC(=O)C(CCCN=C(N)N)NC1=O)c1cccnc1 | [C][C][=Branch1][C][=O][N][C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch2][Branch2][Ring2][C][=Branch1][C][=O][N][C][C][S][S][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][Ring2][Branch1][#Branch2][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CN(C)CCNC(=O)C(=O)CCCCCCOc1ccc(-c2ccccc2)cc1 | [C][N][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] |
CC(NC(=O)C(CS)NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CS)NC(=O)C(CS)NC(=O)CN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCNC(=N)N)C(=O)NC(CS)C(N)=O | [C][C][Branch2][#Branch1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][S][C][Branch1][C][N][=O] |
COc1cc(N2CCC(N3CCOCC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1 | [C][O][C][=C][C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][=C][Ring2][Ring1][C][N][C][=N][C][=C][C][Branch2][Ring2][=C][C][=C][Branch2][Ring1][=N][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][Ring1][P][N][=C][C][=C][C][=C][N][Ring2][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][S] |
CC(=O)OCO/N=[N+](\[O-])N1CCCC1C(=O)OCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | [C][C][=Branch1][C][=O][O][C][O][/N][=N+1][Branch1][C][\O-1][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch2] |
O=C(NCCCN1CCCC1)C1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@H]1N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 | [O][=C][Branch1][N][N][C][C][C][N][C][C][C][C][Ring1][Branch1][C][C@@H1][Branch1][Ring1][C][O][C@@H1][C][N][C][=Branch1][Branch2][=C][C][=C][C][Ring1][=Branch1][=O][C@H1][Ring1][=C][N][Ring1][O][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][C] |
COC(=O)[C@@]1(O)C[C@@]2(C)C(C(=O)C[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@]4(C)CCCC(C)(C)O4)CC[C@]23C)C1(C)C | [C][O][C][=Branch1][C][=O][C@@][Branch1][C][O][C][C@@][Branch1][C][C][C][Branch2][Ring2][P][C][=Branch1][C][=O][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch2][C][C@@H1][Branch1][C][O][C@@H1][C@@H1][Branch2][Ring1][C][C@@][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][#C][Branch1][C][C][C] |
c1csc(CNC23CC4CC(CC2C4)C3)c1 | [C][=C][S][C][Branch2][Ring1][Ring2][C][N][C][C][C][C][C][Branch1][Branch2][C][C][Ring1][#Branch1][C][Ring1][=Branch1][C][Ring1][=Branch2][=C][Ring1][S] |
CCCCCCO[C@H]1C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(C)=O | [C][C][C][C][C][C][O][C@H1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C@@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][C@@H1][Ring1][#C][N][C][Branch1][C][C][=O] |
CC(C)CC(NC(=O)[C@](C)(CCCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(Cc1ccc(O)c(N)c1)C(=O)NC1(C(=O)NC(CC(N)=O)C(N)=O)CCCCC1 | [C][C][Branch1][C][C][C][C][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C@][Branch1][C][C][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][S][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][Branch1][C][N][=O][C][C][C][C][C][Ring1][P] |
CCCc1ccc(C(=O)NC(c2ccccc2)C(O)C(=O)O[C@H]2C[C@@]3(O)[C@@H](OC(=O)c4ccccc4)[C@@H]4[C@]5(OC(C)=O)CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)C(OC(C)=O)=C(C2C)C3(C)C)cc1 | [C][C][C][C][=C][C][=C][Branch2][Branch2][#Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][=Branch1][C][=O][O][C@H1][C][C@@][Branch1][C][O][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][O][C@@H1][Ring1][Branch2][C][C@H1][Branch1][C][O][C@@][Ring1][=N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Branch1][=Branch1][C][Ring2][Ring2][Branch1][C][C][Ring2][Ring2][Branch1][Branch1][C][C][C][C][=C][Ring2][Branch1][=C] |
CC(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C(N)[C@@H](C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)O | [C][C][Branch2][Ring2][O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][N][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][O] |
CC(C)OC(=O)C(C)CNC(=O)C(N)CC(=O)O | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=Branch1][C][=O][O] |
CC1(C)Oc2ccc3cc(CN)c(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C | [C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Branch1][Ring1][C][N][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=C][Ring1][=N][C@@H1][Branch2][Ring1][=N][O][C][=Branch1][C][=O][C@@][C][C][C@][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][C@H1][Ring2][Ring1][S][O][C][=Branch1][C][=O][C@@][C][C][C@][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C] |
CN(C/C=C/c1cccc(F)c1)Cc1cccc2cc[nH]c12 | [C][N][Branch1][#C][C][/C][=C][/C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][=C][C][=C][C][C][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1] |