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CHEMBL1081781 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][/N][=C][Branch1][N][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N] |
CHEMBL1091670 | [C][C][Branch1][C][C][C][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][Branch2][Branch2][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][C@H1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][Ring2][Branch1][Ring2][=O][C@@H1][Branch1][C][C][O] |
CHEMBL1086190 | [C][C][=C][C][=C][Branch2][=Branch1][#Branch1][N][/C][=Branch2][Ring1][Branch2][=N][/C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][S][/C][=Branch2][Ring1][=N][=N][\C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][C][Ring2][Ring2][C][C][C][C][Ring1][Ring2][C][=C][Ring2][Ring2][O] |
CHEMBL177285 | [C][N][C][C][N][Branch2][Branch1][#Branch2][C][C][N][C][C][C][N][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][C][C][=C][S][C][=Ring1][Branch1][Ring2][Ring1][P][C][C][Ring2][Ring2][=Branch2] |
CHEMBL604582 | [C][C][=C][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][C][Ring1][#Branch2][=C][Ring1][=C][C][=C][C][=C][C][Branch2][Ring1][=C][O][C][=C][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][O][=C][Ring1][#C][=C][Ring2][Ring1][=Branch1] |
CHEMBL1076799 | [C][=C][C][=C][C][=C][/C][Ring1][=Branch1][=C][Branch2][Ring2][=N][\C][=C][\C][=Branch1][C][=O][O][C][C][C][N][Branch1][C][C][C][C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C] |
CHEMBL1093316 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL1207397 | [C][C][Branch1][C][C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring2][Ring1][N][C][C][C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O] |
CHEMBL1092024 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C] |
CHEMBL1077098 | [C][C][C][C][C][C@@H1][C@][Ring1][=Branch1][Branch1][C][C][C][C][C@H1][Branch1][C][C][C@@][Ring1][Branch2][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][C][Ring1][Branch2][=O] |
CHEMBL1076911 | [C][C][Branch1][C][C][C@H1][C][C][C][=C][C@@][Branch1][C][C][Branch1][#Branch1][C@@H1][Branch1][C][O][C][O][C][C][C@H1][Ring1][O][C@][Ring1][#C][Branch1][C][C][C][C][C@H1][Ring2][Ring1][Branch1][O] |
CHEMBL163579 | [C][C][C][C][C][C][C][C][N][C][=N][N][Branch2][Ring2][S][C][=C][C][=C][Branch2][Ring2][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][C][N][C][C@H1][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][N][C][Ring2][Ring1][P][=O] |
CHEMBL1162102 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][=C][Ring1][=C][Ring1][#Branch2][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][=C][Ring1][=C][Ring1][#Branch2][=C][Ring2][Ring2][C] |
CHEMBL1201933 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Branch1][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][=Branch2][C][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring2][Ring1][=C][=C][Ring2][Ring2][#Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL1161924 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch2][C][C][C][C][N][C][C][=C][C][=C][C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][=C][Ring1][O][C][Branch1][C][N][=O] |
CHEMBL1161220 | [O][=P][Branch1][C][O][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][#Branch2][C][=C][Ring1][P] |
CHEMBL1160771 | [C][C@@H1][Branch1][C][O][C@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch2][Ring1][Branch2][C][=C][C][Branch1][Ring1][C][#N][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][Ring1][#C][C][C@H1][Ring2][Ring1][#Branch2][Ring2][Ring1][#Branch1] |
CHEMBL260970 | [O][=C][Branch2][Ring1][=Branch2][C][C][C][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][N][C][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL1099299 | [C][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
CHEMBL1084425 | [C][N][C@@H1][C][C][N][Branch2][Ring1][#Branch2][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1] |
CHEMBL1088145 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][N][/N][=C][\C][=Branch1][C][=O][N][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch2] |
CHEMBL1159678 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch1][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][O] |
CHEMBL1159681 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O] |
CHEMBL1091561 | [C][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][C][N][C][Branch1][C][C][=O] |
CHEMBL1096781 | [C][=C][C][C@H1][O][C@H1][Branch2][Ring1][Branch1][C@@H1][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][C][C][=Branch1][C][=C][C@H1][Ring1][=N][Ring1][#Branch2][C@][Branch1][C][C][Branch1][C][O][C][C][C@@H1][Ring2][Ring1][Branch1][O][C][Branch1][C][C][=O] |
CHEMBL3347286 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Ring1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][=N][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch2][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][Branch1][C][C][=O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O] |
CHEMBL606709 | [C][O][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][N][C@H1][C][C@@][C][=C][C@][Ring1][=Branch1][Branch1][Ring1][O][C][C@@H1][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][Ring1][S][C][C][N][Branch1][C][C][C@@H1][Ring2][Ring1][Branch1][C][Ring1][=Branch2] |
CHEMBL406648 | [C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][N][Branch2][Ring1][Branch2][C][=C][C][Branch1][C][F][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][=C][Ring1][O][C][C][C][Ring1][S][C][C][=Branch1][C][=O][O] |
CHEMBL604989 | [C][C@][C][C][C@@H1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C@H1][Ring1][O][C@@H1][Ring1][#C][C][C][C@@][Ring2][Ring1][C][Branch1][C][O][C][#C][C][=C][C][=C][Branch3][Ring1][=N][#Branch2][C][N][C][C@H1][O][C@@H1][O][C@@H1][C@@H1][Branch2][Branch1][Ring1][C][N][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@@][Ring1][#C][Ring2][Ring1][Ring1][C][C][=C][Ring2][Ring1][N][O][C@H1][Branch3][Ring1][Branch2][=N][O][C@@H1][C@@H1][Branch2][Branch1][Ring1][C][N][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@@][Ring1][#C][Ring2][Ring1][Ring1][C][C][=C][Ring2][Ring1][N][O][C@H1][Branch3][Ring1][Ring2][=Branch1][O][C@@H1][C@@H1][Branch2][Branch1][Ring1][C][N][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@@][Ring1][#C][Ring2][Ring1][Ring1][C][C][=C][Ring2][Ring1][N][O][C@H1][Branch2][#C][S][O][C@@H1][C@@H1][Branch2][Branch1][Ring1][C][N][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@@][Ring1][#C][Ring2][Ring1][Ring1][C][C][=C][Ring2][Ring1][N][O][C@H1][Branch2][O][#Branch2][O][C@@H1][C@@H1][Branch2][Branch1][Ring1][C][N][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@@][Ring1][#C][Ring2][Ring1][Ring1][C][C][=C][Ring2][Ring1][N][O][C@H1][Branch2][#Branch1][Ring2][O][C@@H1][C@@H1][Branch2][Branch1][Ring1][C][N][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@@][Ring1][#C][Ring2][Ring1][Ring1][C][C][=C][Ring2][Ring1][N][O][C@H1][Branch1][#C][O][C@H1][Ring2][#C][=N][C@H1][Branch1][C][O][C@H1][Ring2][#C][=C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][N][O][C@H1][Branch1][C][O][C@H1][Ring2][#Branch1][Ring2][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch2][N][O][C@H1][Branch1][C][O][C@H1][Ring2][N][Ring2][O][C@H1][Branch1][C][O][C@H1][Ring2][=C][N][O][C@H1][Branch1][C][O][C@H1][Ring2][P][Ring2][O][C][=C][Ring3][Ring1][C][C] |
CHEMBL611115 | [C][C@@][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C][Branch2][Ring1][Branch2][N][C][=N][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][N][=C][N][=C][Ring1][N][Ring1][#C][C@@H1][Ring2][Ring1][#Branch1][O] |
CHEMBL4116115 | [C][N+1][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Ring2][Ring1][#Branch2] |
CHEMBL608407 | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][Branch2][#Branch1][#Branch1][C@@H1][C][=C][Branch2][Branch1][Ring2][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][O][C@H1][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][=C][C@@H1][Branch1][C][O][C][Ring2][Ring1][Branch1][O][C@H1][Ring2][Ring1][S][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][=C][=C][Ring2][Branch1][Branch2] |
CHEMBL608409 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][/N][=C][Branch1][C][C][\C][Branch1][C][C][=N][\C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] |
CHEMBL1094634 | [C][=C][/C][=Branch2][Ring2][Branch1][=C][\C][=C][/C][C][C][C@][Branch1][C][C][C][Branch1][S][C@H1][Branch1][C][C][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][C@@H1][Ring2][Ring1][Ring1][Ring1][#C][C][C@@H1][Branch1][C][O][C][C@@H1][Ring2][Ring1][N][O] |
CHEMBL1088591 | [C][C][=C][Branch1][Ring1][C][#N][C][=N][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][Branch1][C][C][=C][Ring1][#Branch2][/C][Ring1][#C][=C][/C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][O][Ring1][=C] |
CHEMBL612143 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O] |
CHEMBL1078513 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Branch1][C][Cl][=C][Ring1][P][C][#N][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL1208391 | [C][C][N][=C][Branch2][Branch2][=Branch1][C][=N][C][Branch2][#Branch1][Ring2][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=Branch2][Ring2][Branch1][=C][Ring1][=Branch1][O][C][N][=C][Branch2][Ring1][C][C][=N][C][Branch1][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][S][Ring1][=Branch2][S][C][=Ring1][=C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][Ring2][Ring2][#C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][S][Ring2][Branch1][#Branch2][S][C][=Ring2][Branch1][#C][C][=Branch1][C][=O][O] |
CHEMBL1213309 | [C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Ring1][S][C][N] |
CHEMBL1075761 | [O][=C][Branch2][Branch1][Branch2][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL1092426 | [C][C][Branch2][#Branch1][Ring1][C@H1][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][Branch1][N][C@H1][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][C][C][C][C][C][Ring1][=N][C][=Branch1][C][=O][N][C][C@@H1][C@H1][Branch2][Ring1][P][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring2][Ring1][Branch1][Branch1][C][C][C][C][C][C][C][C][Ring2][Branch1][Ring1] |
CHEMBL1092443 | [N][C][=C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][=C][/N][=N][/C][=C][C][=C][C][Branch1][C][O][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][Ring1][O][=C][Ring1][#C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][Ring2][Ring1][N][=C][Ring2][Ring1][S] |
CHEMBL1207408 | [C][C@@H1][O][C@@H1][Branch2][Branch1][=C][O][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][S][O][C@@H1][Branch2][Ring1][=Branch1][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][=Branch1][C][=O][O][C@H1][Ring2][Ring1][=Branch2][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring2][Ring2][#Branch2][O] |
CHEMBL1089317 | [C][C][Branch1][C][C][C][C][N][C][=C][C][Branch1][C][Cl][=N][C][Branch2][Ring1][Branch2][S][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] |
CHEMBL1088309 | [O][=C][Branch2][Ring1][Branch2][C][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] |
CHEMBL1077805 | [C][O][C][=C][C][=C][C][Branch2][Branch1][=C][C][C][N][C][C][N][Branch2][Ring2][#Branch1][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][C][Ring1][Branch1][C][N][C][C][N][C][C@@H1][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring2][Ring2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][P] |
CHEMBL1097646 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][S][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch2][=N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C] |
CHEMBL1094665 | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][N][C][=Branch1][C][=O][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][F][C][Branch1][C][C][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][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][C][=N][NH1][C][=Branch1][C][=S][O][Ring1][=Branch1][=C][Ring1][N] |
CHEMBL1160322 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][Branch1][O][O][C][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][#C][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O] |
CHEMBL1077107 | [C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][N][C][Branch2][Ring1][#Branch1][N][N][C][=Branch1][C][=O][/C][=Branch1][=Branch2][=C][\C][=C][C][=C][O][Ring1][Branch1][S][C][Ring1][N][=S][=N][Ring2][Ring2][Branch2] |
CHEMBL608415 | [C][C][Branch1][C][C][C][C@H1][Branch2][S][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][O] |
CHEMBL532645 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][C][C][Branch1][C][C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][P][Ring1][Branch2].[Cl] |
CHEMBL1209204 | [N][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][S] |
CHEMBL1091752 | [N][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Branch2][=Branch1][Ring2][/N][=N][/C][=C][C][=C][Branch2][Branch1][=Branch1][C][=C][C][=C][Branch2][Ring2][#Branch2][/N][=N][/C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Branch1][C][N][C][Ring1][O][=C][Ring2][Ring1][Ring1][O][C][=C][Ring2][Ring1][N][C][=C][Ring2][Ring2][C][C][Branch1][C][O][=C][C][Ring2][Ring2][#C][=C][Ring2][Branch1][Ring1] |
CHEMBL1075929 | [C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][Branch2][Branch1][O][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch1][O][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1][C][C][C][/C][=C][\C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][Ring2][Branch2][Ring1][=O] |
CHEMBL1075937 | [C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][Branch2][Branch1][O][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch1][O][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Branch1][C][N][=O][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][Ring2][Branch2][O][=O] |
CHEMBL1098866 | [C][C][Branch1][C][C][O][C@H1][C@@H1][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][O][C@@H1][Branch1][=C][C][N][C][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C@H1][Ring2][Ring1][#C][O][Ring2][Ring2][Ring1] |
CHEMBL1159434 | [C][C@H1][O][C@@H1][Branch2][=Branch1][C][O][C@H1][C][C][C@@][Branch1][C][C][C][Branch2][Ring2][=N][C][C][C@][Branch1][C][C][C][Ring1][Branch2][C][=C][C@][O][C][C@@][Branch1][S][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][Ring1][O][C@@H1][Branch1][C][O][C][C@][Ring1][#C][Ring2][Ring1][Ring2][C][C@][Ring2][Ring1][=C][Branch1][C][C][C][O][C@H1][Branch1][C][O][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][Ring2][Branch1][Branch1][O] |
CHEMBL1084510 | [C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][N][C][C][N][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][N][C][=C][Ring2][Ring2][C] |
CHEMBL1206474 | [C][C][Branch1][C][C][C][C][Branch2][Branch1][C][C][P][=Branch1][C][=O][Branch1][C][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL1079125 | [C][C][Branch1][C][C][C@@H1][Branch1][C][O][C][C@@H1][O][C][=Branch1][C][=O][C@@][C][C@@H1][Branch2][Ring1][Branch2][C][C@@H1][Branch1][C][O][C@H1][Ring1][#Branch1][C@][Ring1][N][C][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][=Branch1][Ring1][=Branch1][C@@][Branch2][Branch1][Ring1][C][C][C][=C][Branch1][Ring2][O][Ring1][=Branch1][C@][C][C@H1][Ring1][=Branch1][C][C@@H1][Branch1][C][O][C@H1][Ring1][#Branch1][C@][C][O][C@@H1][O][C][C@][Branch1][C][C][Branch1][N][C][C][C@@H1][Ring1][O][O][C][Ring2][Ring1][Ring2][=O][C@@H1][Ring1][N][Ring1][#C][C][Ring2][Ring2][#Branch2][=O] |
CHEMBL1079127 | [C][O][C][=Branch1][C][=O][C][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][Ring1][=Branch2][C][C][N][C@H1][Branch1][C][O][C@][Branch2][Branch1][#Branch1][C][C@@H1][C][C@][C][C][=Branch1][C][=O][C][C@H1][Ring1][=Branch1][C][C][N][C][C][C@@][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][Branch1][Branch1][C][Ring2][Ring1][#Branch2][C@@][Ring2][Ring1][=Branch2][Ring1][N][O][C@@H1][Ring1][P][Ring2][Ring1][=Branch2][C@@H1][O][C][C][C@][Ring1][Branch1][Branch1][Branch1][C][Ring2][Branch1][C][C@H1][Ring2][Ring2][#Branch1][Ring2][Ring2][#Branch2] |
CHEMBL607223 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Branch2][O][C][N+1][C][C][C@][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@H1][Ring1][=Branch2][C@H1][C@@H1][Branch1][#Branch1][C][C@@H1][Ring1][=N][Ring1][S][C][=Branch2][=Branch1][Branch2][=C][C][O][C@H1][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][C][C][N+1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][=C][C][O][C@@H1][Ring2][Ring2][#Branch1][C@@H1][Branch1][Branch2][C@H1][Ring2][Ring1][=C][Ring2][Ring1][#Branch1][C@H1][Ring1][Branch2][C][C@@H1][Ring2][Ring1][#Branch2][Ring2][Ring1][#Branch1][C][Ring2][Branch1][#Branch1][C][=C][Ring2][Branch1][=C].[Br-1].[Br-1] |
CHEMBL1088782 | [O][=C][Branch2][Ring1][Branch2][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][O][N][C@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL1077878 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Br][C][C][C@@H1][C@@H1][Ring1][=Branch2][C][C][C@][Branch1][C][C][C@@H1][Branch1][C][O][C][C][C@@H1][Ring1][O][Ring1][#Branch1] |
CHEMBL1159904 | [C][C][C][C][C@H1][Branch2][Ring2][N][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][C][C][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][C][Branch1][C][C][C] |
CHEMBL1159912 | [C][C][C][C][C@@H1][Branch2][=Branch1][#Branch2][C][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL1160667 | [C][=C][C][=C][Branch2][Ring1][P][C][N][C][C][C][C][C][C][N][C][C][S][S][C][C][N][C][C][C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring2] |
CHEMBL1170005 | [C][C][=C][C][Branch1][Ring1][C][#N][=C][C][Branch1][C][C][=C][Ring1][=Branch2][O][C][=N][C][Branch2][Ring2][C][N][C][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][Cl][C][C][Ring2][Ring1][C][=N][C][=C][Ring2][Ring1][=Branch2][Br] |
CHEMBL1160256 | [C][C][=C][Branch1][C][C][C][=C][Branch2][Ring1][C][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Branch1][Ring1][C][N][C][C][C][C@H1][Ring1][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C][S][C][=Branch1][C][=O][N][Branch1][#C][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][O][C][Ring1][=C][=O][C][=C][Ring2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring2][S] |
CHEMBL1207360 | [C][C][Branch1][C][C][N][C][Branch2][Ring1][C][C][C][C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL1099329 | [O][=C][Branch1][C][O][C][C][C][O][C][=C][C][=C][C][Branch2][Branch1][Branch1][C][C][C][C][C][C][O][C][=C][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][#Branch2][=C][Ring2][Ring2][#Branch1][C][C][C][=Branch1][C][=O][O] |
CHEMBL1077021 | [C][C@H1][C][C][C@H1][C@@H1][Branch1][S][C][=C][C@@H1][C][O][C][=Branch1][C][=O][C@@][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][#C] |
CHEMBL1085236 | [C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][Branch1][Ring1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch2][Ring1][N][O][C][=Branch1][C][=O][C][C][N][C@@H1][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C@H1][Branch1][C][C][O][Ring2][Ring1][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@][Branch1][C][C][Branch1][C][O][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Ring2][Branch1][S][Branch1][C][C][O] |
CHEMBL1075934 | [C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch2][=Branch1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch1][O][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1][C][C][/C][=C][/C][C][C][C][C][C][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Branch1][C][N][=O][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][Ring2][Branch2][Branch1][=O] |
CHEMBL1075938 | [C][=C][C][C][C][C][C][C][N][Branch2][Branch2][=N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][C][=C][C][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch1][O][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1] |
CHEMBL1091359 | [C][N][Branch1][C][C][C][C][O][C][=C][C][=C][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][C][C][=N][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=N][N][C][C][C][C][Ring1][Branch1][C][O][C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring2][Ring2] |
CHEMBL1092041 | [C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][=N][C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][N][=C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1][=N][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring2][Ring1] |
CHEMBL1096890 | [C][C][N][C][=Branch1][C][=O][C@H1][O][C@@H1][Branch2][=Branch1][Branch2][N][C][=N][C][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][N][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][N][=C][Ring2][Ring2][#Branch2][Ring2][Ring2][=N][C@H1][Branch1][C][O][C@@H1][Ring2][Branch1][Ring1][O] |
CHEMBL1096892 | [C][C][N][C][=Branch1][C][=O][C@H1][O][C@@H1][Branch2][=Branch1][C][N][C][=N][C][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring2][=Branch1][Ring2][Ring2][=Branch2][C@H1][Branch1][C][O][C@@H1][Ring2][Ring2][#C][O] |
CHEMBL1161178 | [C][=Branch1][O][=N][N][C][=N][C][C][C][N][Ring1][=Branch1][C][C][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][O][C][=Ring1][#C] |
CHEMBL1075896 | [N][C][=N][C][=C][C][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][Ring1][S] |
CHEMBL1076212 | [C][C][=C][C][Branch2][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][=C][N][C][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][C][Ring2][Ring1][#Branch2][C][C][Ring2][Ring1][S][=C][Branch1][C][C][O][Ring2][Ring2][Branch2] |
CHEMBL1098309 | [C][C][N][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][N][Branch1][S][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL1097992 | [C][C][=C][C][=C][C@][Branch1][C][O][Branch2][Branch1][P][C][C@H1][C@@][Branch1][C][C][C@@H1][C][C@@H1][Ring1][Ring1][C@@][Branch1][C][O][C][O][C][=Branch1][C][=O][/C][Branch1][C][C][=C][/C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][=C][Branch1][=Branch2][C][C@@H1][Ring2][Ring1][#Branch1][Ring2][Ring1][N][C@@][Ring2][Ring2][Ring1][Ring2][Ring1][=C][O][C][Ring1][#Branch1][=O][C@H1][C][C@H1][Ring1][Ring1][C@][Ring2][Ring2][=Branch2][Branch1][C][C][C@@H1][Branch1][C][O][C@@][Ring2][Ring2][#C][Branch1][C][O][O][C][Ring2][Branch1][Ring1][=O] |
CHEMBL1090265 | [C][C][C][Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring2][C][C][/N][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C@@H1][Branch2][O][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][C@H1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Ring2][C][C][/N][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Ring2][C][C][/N][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Ring2][C][C][/N][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][N][C][Ring2][=Branch1][#C][=O][C@@H1][Branch1][C][C][O] |
CHEMBL1095015 | [C][/C][=C][Branch1][C][/C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][O][C@@][Branch1][Ring1][C][O][C@@H1][Branch1][=Branch2][C][C][Ring1][=Branch2][Branch1][C][C][C][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][O][O][C@@H1][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][P][O][C@@H1][O][C@@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][Ring2][Ring1][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@][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Ring2][Ring2][O][C][C][C@@][Ring2][Ring2][#C][Branch1][C][C][C@][Ring2][Branch1][Ring2][Branch1][C][C][C][C@H1][Ring2][Branch1][#C][O] |
CHEMBL1162967 | [C][O][C][=C][C][=C][Branch2][=N][Ring2][/C][=N][\O][C@H1][C][C][N][Branch2][#Branch2][Ring1][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][P][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch1][O][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1][C@@H1][Branch1][C][C][O][C@@H1][Ring2][#Branch1][Ring1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Branch1][C][N][=O][C][=C][Ring2][Branch2][P][O] |
CHEMBL1202102 | [N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Branch1][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][N][=O][C][=C][Ring2][Ring2][Ring2].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL1099305 | [C][C@@H1][Branch1][C][O][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][P][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][N][C][=C][Branch2][#C][=Branch1][C][O][C][=C][C][Branch2][#Branch2][#Branch2][O][C][C][=C][N][Branch2][=Branch2][=N][C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][S][S][C][C@@H1][Branch1][S][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][Ring2][Branch1][O][=O][N][=N][Ring2][#Branch1][Ring2][=C][C][Branch2][Branch1][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][Branch2][=C][Ring2][=Branch2][S][N][=N][Ring2][#Branch2][#Branch1][C][S][S][C][C@@H1][Branch1][S][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][C][O][N][C][Ring2][#C][C][=O] |
CHEMBL1099322 | [C][O][C][=C][C][=C][C][Branch1][=C][N][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl][=C][C][=Branch1][C][=O][O][C][Ring1][S][=C][Ring2][Ring1][Ring2][O][C][C][C][C][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL1096298 | [C][C@][O][C@@H1][O][C][=Branch1][C][=O][C@H1][Ring1][#Branch1][C@H1][Branch1][=Branch1][C][C@@H1][Ring1][#Branch2][O][C@H1][Ring1][#Branch2][C][O] |
CHEMBL1096311 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][O][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][C][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C] |
CHEMBL1096330 | [C][O][C][=C][C][Branch2][Branch1][=N][C][C][=C][N][=C][Branch2][Ring2][#C][/N][=C][\C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch2][N][=C][Ring2][Ring1][S][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][#Branch2][O][C] |
CHEMBL612215 | [C][C][C@H1][Branch2][Ring2][Branch1][C][O][C][=N][C][Branch1][C][N][=C][N][=C][N][Branch1][S][C][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][Ring1][=C][=N][Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL1091672 | [C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][P][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][Ring2][=Branch1][=N][=O] |
CHEMBL1097888 | [C][C][=C][N][Branch3][Ring1][=N][#Branch1][C][C][=Branch1][C][=O][N][Branch3][Ring1][#Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][N][Branch3][Ring1][Branch2][=Branch1][C][C][N][C][=Branch1][C][=O][C][N][Branch3][Ring1][Branch1][P][C][C][N][C][=Branch1][C][=O][C][N][Branch3][Ring1][Ring1][S][C][C][N][C][=Branch1][C][=O][C][N][Branch3][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][N][Branch2][#C][=C][C][C][N][C][=Branch1][C][=O][C][N][Branch2][=N][=C][C][C][N][C][=Branch1][C][=O][C][N][Branch2][O][P][C][C][N][C][=Branch1][C][=O][C][N][Branch2][=Branch2][=N][C][C][N][C][=Branch1][C][=O][C][N][Branch2][#Branch1][=N][C][C][N][C][=Branch1][C][=O][C][N][Branch2][Ring2][#Branch1][C][C][N][C][=Branch1][C][=O][C][N][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][C][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][Branch1][Branch1][O][C][C][N][C][=C][C][=C][Ring1][#Branch2][O][C][C][N][NH1][C][Ring2][Ring1][Ring1][=N][C][Ring2][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][=Branch1][C][=O][C][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][=Branch1][C][=O][C][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][=Branch1][C][=O][C][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C][=Branch1][C][=O][NH1][C][Ring3][Ring1][C][N][=O] |
CHEMBL1161839 | [N][=C][Branch1][C][N][N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][C][C][C][C][C][=C][C][=C][Branch1][#Branch1][N][C][=Branch1][C][=N][N][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL32423 | [Br].[Br].[C][C][C][C][C][C][C][C][N][=C][C][=C][N][Branch2][Ring2][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=C][C][=Branch1][#Branch2][=N][C][C][C][C][C][C][C][C][C][=C][Ring1][#C][C][=C][Ring2][Ring2][Ring1] |
CHEMBL1162317 | [C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C@@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C@][C][C@][Ring1][Ring1][C][C][C@][Branch1][C][C][C@@H1][Branch1][S][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][C][C][C@@][Ring1][#C][Branch1][C][C][C@@H1][Ring2][Ring1][Ring2][C][C][C@@H1][Ring2][Ring2][Ring1][Ring2][Ring1][=Branch2] |
Subsets and Splits