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CHEMBL4295014 | [N][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][N][=N][N][Ring1][#C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] |
CHEMBL4295015 | [C][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][=C][Ring1][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][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] |
CHEMBL4295016 | [O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][C][C@H1][Branch1][P][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][Ring1][S] |
CHEMBL4295017 | [C][C][/C][=C][\C][/C][=C][/C][=C][\C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][C][C][C@@][Branch1][C][O][C@@H1][Branch2][Ring1][#Branch1][C][=C][Branch1][Ring1][C][O][C][C@@H1][C][=Branch1][C][=O][C][Branch1][C][C][=C][C@H1][Ring1][#Branch1][Ring1][#C][C@@H1][C][Branch1][C][C][Branch1][C][C][C@][Ring2][Ring1][#Branch1][Ring1][Branch1][O][C][=Branch1][C][=O][C][Branch1][C][C][C] |
CHEMBL4295018 | [N][#C][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring1][P] |
CHEMBL4295019 | [C][C][=C][C][=C][C][Branch2][Ring2][=C][C][Branch1][P][C][=C][NH1][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][P][=Branch1][C][=O][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][NH1][C][Ring2][Ring2][C][=C][Ring2][Ring2][=Branch1] |
CHEMBL4295020 | [C][C][=Branch1][C][=O][C][C][C][=C][C@@][Branch1][C][C][C][C][C@@][Branch1][C][C][C][C][C@@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Ring1][O][C@][Ring1][S][Branch1][C][C][C][C][C@@][Ring2][Ring1][Branch1][Branch1][C][C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][=C][Ring1][#C][Ring2][Ring2][#Branch1] |
CHEMBL4295101 | [C][O][C][=C][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Branch2][N][C][C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][O][C][=C][Ring2][Ring1][#C][O][C] |
CHEMBL4295102 | [C][O][C][=C][C][=C][Branch2][Branch2][=C][C@H1][C][C@@H1][C][C][C@@H1][Branch1][C][C][C@@][Branch1][C][O][Branch1][Ring2][O][Ring1][Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch2][Ring1][Branch1][C@H1][Branch1][C][C][C][C@@H1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][Ring1][O][C][C][Ring1][=Branch2][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][/C][=C][Branch1][C][\C][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][O][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C@H1][Branch1][C][C][/C][=C][/C][=C][/C][=C][-/Ring2][Branch1][=C][C][C][Branch1][Ring1][O][C][=C][Ring2][=Branch1][#Branch1] |
CHEMBL4295103 | [C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring2][=C][C][O][P][=Branch1][C][=O][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][O][O][C][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][=C][Ring1][P][C][=C][Ring2][Ring2][Branch1] |
CHEMBL4295104 | [F][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4295105 | [O][=C][Branch2][Ring1][=C][C][C][C][Branch1][P][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][O] |
CHEMBL4295106 | [C][C][C][Branch1][Ring1][C][C][C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][Ring2][Ring1][N] |
CHEMBL4295181 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][C][=C][N][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch1][Ring1][O][C][=C][Ring2][Ring1][=N] |
CHEMBL4295182 | [C][O][C][=C][C][=C][Branch2][Ring1][N][/C][=C][\C][C][C][/C][=Branch1][S][=C][\C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][#C][=O][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4295183 | [O][=C][Branch2][Ring1][O][N][C][C][=C][C][=C][C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][=C][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL4295184 | [C][N][C][=N][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Ring1][N][=C][Ring1][S][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][N] |
CHEMBL4295185 | [C][C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][=N][N][Branch2][Ring1][=Branch1][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=Ring2][Ring1][C][Ring2][Ring2][Ring1] |
CHEMBL4295186 | [C][=C][Branch1][C][C][C@@H1][C][C][=C][Branch2][Ring2][#C][C][N][C][=C][Branch2][Ring2][Ring1][C][O][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][C][=O][=C][C][=C][Ring1][P][O][C][N][=N][Ring2][Ring1][#Branch2][C][C][Ring2][Ring1][P] |
CHEMBL4295187 | [C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@H1][/C][Branch1][C][C][=C][/C@H1][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][C@][Ring1][#C][Branch1][C][O][C@@H1][Branch1][N][O][C][=Branch1][C][=O][/C][Branch1][C][C][=C][/C][C@@H1][Branch1][C][C][/C][=C][/C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring2][=Branch2][O][C][Branch1][C][C][=O] |
CHEMBL4297389 | [O][=C][C@H1][Branch2][Ring1][Ring1][C][/C][=C][Branch1][Ring1][\C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][Ring2][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4297397 | [O][=C][C][Branch1][C][O][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][=C][Ring1][N][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][=Branch2][Ring1][Branch2] |
CHEMBL4297399 | [O][=C][Branch2][Ring1][Branch1][N][C][=N][C][=C][Branch1][O][S][C][C][N][C][C][C][C][Ring1][Branch1][S][Ring1][=N][C@][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][Ring1][N][C][C@H1][Ring1][#C][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4297401 | [C][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Ring1][S].[O] |
CHEMBL4297402 | [C][C][=N][N][=N][N][Ring1][Branch1][N][=C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring2][Ring2][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][Branch1][O][C][=N][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][Ring1][=C][O][=C][Ring2][Ring1][=C] |
CHEMBL4297403 | [C][C][O][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N].[Cl] |
CHEMBL4297637 | [C][C][=Branch1][C][=O][O][C][/C][=C][Branch1][C][C][/C][=C][/C][=C][Branch1][C][C][\C][=C][\C][=C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C] |
CHEMBL4297638 | [C][N][C][=C][Branch2][=Branch1][N][C][=C][C][=C][Branch2][Branch1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][#C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch1][C][Ring2][Ring1][=Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring2][Ring1][C][=N][Ring2][Ring2][Branch2] |
CHEMBL4297639 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][Branch2][Ring2][=N][C][=C][C][=C][NH1][N][=C][Branch2][Ring1][O][C][=N][C][=C][N][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring1][=N][NH1][Ring1][S][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][#C] |
CHEMBL4297640 | [N][C][=Branch1][C][=O][C@H1][C][C][N][Branch1][=N][C][=N][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][F][C][C@@H1][Ring1][=C][N][C][C][C][C@@H1][Branch2][Ring1][#Branch1][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][Ring2][Ring1][C][=O] |
CHEMBL4297641 | [C][/C][=Branch2][Ring2][Ring2][=N][\N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring1][S][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O] |
CHEMBL4297642 | [C][C][=Branch1][C][=O][N][Branch2][Ring1][O][C][C][C][C][N][C][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O] |
CHEMBL4297643 | [C][C][=C][C][=C][C][Branch2][Ring2][Ring2][/C][=N][/N][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][N][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=C] |
CHEMBL4293965 | [Cl][C][=C][C][=C][Branch2][Ring1][=C][C][N][=C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][N][Ring1][=Branch2][C][=Ring1][N][C][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4293966 | [C][N][Branch2][Ring1][#C][C][C][O][C][=C][C][=C][Branch1][P][/C][=C][\C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4293967 | [S][=C][N][Branch2][Ring1][#Branch2][C][C][C][C][C@H1][C][N][C][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][#C][C][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=C][C][C][C][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4293968 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4293969 | [N][#C][/C][=C][/C][=C][C][=C][Branch2][Ring2][Branch2][N][C][=C][C][Branch1][=N][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][S] |
CHEMBL4293970 | [C][O][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=Branch2][Ring1][=Branch2][=C][Branch1][C][N][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring1][=N][=N][Ring1][P][N][=C][Ring1][P] |
CHEMBL4294044 | [N][C][=N][S][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=N][Ring1][=C] |
CHEMBL4294045 | [O][=C][Branch1][#C][N][C][C][Branch1][C][F][Branch1][C][F][C][C][C][Ring1][Ring1][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring1][S] |
CHEMBL4294046 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][S][C][=N][C][=Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] |
CHEMBL4294047 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][Ring2][C][C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][C][=C][Ring1][S][O][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][=Branch2] |
CHEMBL4294048 | [C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4294123 | [O][=C][Branch2][Ring2][Ring2][N][C][=C][C][Branch2][Ring1][Ring2][C][=C][S][C][Branch1][O][N][C][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][=N][=C][Branch1][C][Cl][C][=N][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4294124 | [C][C][=C][C][=C][Branch2][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=N][O][Ring1][=C][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4294125 | [C][O][C][=C][C][=C][C][Branch2][Ring2][P][C][=N][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][Branch2][Ring1][Branch1][C][=C][N][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][N][Ring1][Branch2][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][S] |
CHEMBL4294126 | [C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][C][C][C][Ring1][Branch1][=C][C][=C][Branch1][P][S][C@][Ring1][Branch1][Branch1][C][C][C@@][Ring1][=N][Branch1][C][C][S][Ring1][P][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring2][#Branch1][C][=O] |
CHEMBL4294127 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][C][=Ring1][N][Cl][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4294207 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][C][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][=C][C][O][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Ring2][Ring2][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4294208 | [C][C][=C][Branch1][Ring2][C][C][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl] |
CHEMBL4294209 | [N][C][=N][C][Branch2][Ring1][Ring1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][O] |
CHEMBL4294210 | [O][=C][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=Se][N][C][=C][C][=C][Branch2][Ring2][#Branch1][Se][Se][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=Se][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4294211 | [C][=C][=C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][N][N][C][=N][C][=C][C][Branch1][P][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring1][S][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][=Branch2][N][C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][N] |
CHEMBL4294212 | [C][C][C][Branch1][C][C][S][C][=Branch1][C][=S][N][C][C][/C][=C][/S+1][Branch1][C][C][O-1] |
CHEMBL4294213 | [Cl].[Cl].[Cl].[Cl].[Cl].[Cl].[N][C][C][C][N][C][C][C][C][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][#C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][=C][=O][C][=Branch1][C][=O][N][Branch1][=C][C][C][C][N][C][C][C][C][N][C][C][C][N][C][Ring2][Ring1][#Branch2][=O] |
CHEMBL4294214 | [O][=C][Branch1][C][O][C][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4294310 | [C][C][Branch2][Ring1][#Branch2][C][C][=N][S][C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring1][=C][N][C][C][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2] |
CHEMBL4294311 | [C][N][C][C][N][Branch2][Ring1][=Branch1][C][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][S][C][Ring1][N][C][C][Ring2][Ring1][Ring1] |
CHEMBL4294312 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][S][/C][=N][/N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P] |
CHEMBL4294313 | [C][N][Branch2][Ring2][O][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F] |
CHEMBL4294314 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][/C][=Branch2][Ring2][Branch1][=C][\C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][C][Ring2][Ring2][C] |
CHEMBL4294315 | [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][#C][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C@@][Branch1][C][C][Branch2][Ring2][=N][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][O][O][C][Ring1][#C][=O][C@@H1][Ring2][Ring2][#Branch1][C][C][C@][Ring2][Ring2][O][Ring2][Ring2][S][C][C@@H1][Ring2][Branch1][O][Ring2][Branch1][Branch2] |
CHEMBL4294316 | [C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][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][Ring1][O][C][C][C@@H1][Branch1][C][C][/C][=Branch1][=N][=N][/O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Ring2][Branch1][=Branch2][Branch1][C][C][O] |
CHEMBL4294317 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][Ring1][Branch1][=O][C][=C][Ring1][N][N][=Ring2][Ring1][#Branch1] |
CHEMBL4294400 | [C][C][C][=C][N][Branch1][#C][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=Branch1][C][=O][C][=N+1][Ring1][#C][O-1] |
CHEMBL4294401 | [C][N][Branch1][C][C][C][C][C][N][C][=N][C][Branch2][Ring1][#Branch1][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][=N][C][Branch1][S][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=N][Ring2][Ring1][=N] |
CHEMBL4294402 | [C][O][C][=C][C][=N][C][Branch2][Ring2][P][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][N][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][=Branch2][=O][=C][Ring2][Ring2][Ring1][O] |
CHEMBL4294403 | [C][C@][C][C][C@H1][C@@H1][Branch2][Ring1][Ring2][C][C@@H1][O][C@@][Ring1][Ring1][C][C@@H1][Branch1][C][O][C][C][C@][Ring1][N][Ring1][#Branch1][C][C@@H1][Ring1][P][C][C][=C][Ring2][Ring1][Ring2][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL4294404 | [C][C][Branch2][Ring1][Branch1][C][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][O][C][C][C][S][C][=C][C][=Ring1][Branch1][Ring2][Ring1][#Branch1] |
CHEMBL4294405 | [C][O][C][=C][C][=C][Branch2][Branch1][#Branch2][O][C][=C][C][=C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][C][Ring2][Ring1][Branch1][=O][C][=C][Ring2][Ring1][#C][F][C][=C][N][=C][Ring2][Ring2][#Branch1][C][=C][Ring2][Ring2][O][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4294406 | [C][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C@@H1][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][Branch2][=C][C][=N][Ring2][Ring1][#C] |
CHEMBL4294487 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][C@H1][C][C@H1][Branch1][N][C][N][C][C][C][C][C@H1][Ring1][#Branch2][Ring1][=Branch1][C@@H1][Ring1][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4294491 | [C][C][C][N][Branch2][Ring1][Branch2][C][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=C][C][Branch1][C][C][=O] |
CHEMBL4294492 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][/C][Ring1][N][=C][\C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2] |
CHEMBL4294493 | [C][C][=C][C][Branch2][Branch1][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][N][C][C][C][Branch2][Ring2][Ring2][N][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][=N][Cl][C][C][Ring2][Ring1][O][=N][C][=N][Ring2][Ring2][#Branch2] |
CHEMBL4294494 | [C][C][=Branch1][C][=O][N][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][#Branch1][S][Ring1][=C] |
CHEMBL4294582 | [O][=C][Branch1][C][O][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4294583 | [C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][C@H1][Branch1][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][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][Branch2][C][C][C][Branch1][C][N][=O][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][Branch2][C][C][C][Branch1][C][N][=O][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][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O] |
CHEMBL4294584 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] |
CHEMBL4294585 | [C][C][C][N][C][N][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][S][C][Ring1][O][=S] |
CHEMBL4294586 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][=C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=S][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][P][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4294669 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][C][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4294670 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4294671 | [C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][C][C][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch1][C][C][Branch2][Ring1][#Branch2][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4294672 | [C][C][C][Branch1][Ring1][C][C][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][N][Ring1][O][C][Branch1][C][C][=O] |
CHEMBL4294673 | [C][O][C][=C][C][Branch2][Branch1][N][C][C][C][Branch2][Ring2][=N][C][=Branch1][=C][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][C][=Branch1][C][=S][N][C][Branch1][S][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][Ring1][S][=N][C][=Branch1][C][=S][N][Ring2][Ring1][P][=C][C][=C][Ring2][Ring2][#Branch1][O] |
CHEMBL4294674 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][/C][=C][/C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][=N][C][=C][C][=C][Ring2][Ring1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4294675 | [C][C][C][=N][C][=C][Branch2][Ring2][#Branch2][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][=O][C][=C][Ring2][Ring1][#Branch1][F][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][N][=C][Ring2][Ring2][Branch1][NH1][Ring2][Ring2][Branch2] |
CHEMBL4294755 | [C][N][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=N][Ring1][O][=C][Ring1][S][C][=C][C][=C][Branch1][C][F][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S] |
CHEMBL4294756 | [C][C][O][C][=Branch1][C][=O][C][C][C][S][C][=N][N][=C][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][S][Ring1][=N] |
CHEMBL4294757 | [O][=C][Branch1][Branch1][C][C][C][Cl][N][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][I][C][=C][Ring1][P] |
CHEMBL4294758 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][N][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4294836 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][=C][Branch1][C][O][C][Branch1][=C][/C][=Branch1][Ring1][=N][/O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4294837 | [C][O][C][=Branch1][C][=O][N][C@H1][C@@H1][Branch1][C][C][O][C@@H1][Branch2][#Branch2][Ring2][O][C@H1][C][/C][=C][Branch1][C][\C][C@@H1][C][=C][C@@H1][C@@H1][Branch2][Branch1][#Branch2][O][C@H1][C][C@@H1][Branch2][Ring2][#Branch1][O][C@H1][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Ring2][O][C@@H1][C][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][O][C][C@H1][Branch1][C][C][O][Ring1][#Branch2][C@H1][Branch1][C][C][O][Ring2][Ring1][Ring1][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring2][Ring1][N][C@@H1][Branch1][C][C][C][C@H1][Branch1][C][C][C@H1][Ring2][Ring2][Branch1][C@][Ring2][Ring2][=Branch2][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C@@][Branch2][Ring1][Branch1][C][C@@H1][Branch1][C][C][C][Branch1][Ring1][C][=O][=C][C@H1][Ring1][=Branch2][/C][=C][-/Ring2][Branch1][#C][C][O][C][Ring1][P][=O][C][C@][Ring2][=Branch1][O][Branch1][C][C][N+1][=Branch1][C][=O][O-1] |
CHEMBL4294838 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][N][C][Branch2][Ring1][=C][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][Ring2][Ring1][Branch2][N][C][=C][Ring2][Ring1][#C] |
CHEMBL4294839 | [C][C][C][C][S][C][=C][C][=C][N][=C][Branch1][#Branch2][N][C][=Branch1][C][=O][O][C][C][C][S][C][Ring1][N][=C][Ring1][S] |
CHEMBL4294840 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C@@H1][C@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch2][O] |
CHEMBL4294923 | [N][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring2][O][C][=N][C][Branch1][S][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=N][C][Branch1][#C][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][Ring2][Ring1][#Branch1][=N][Ring2][Ring1][=C] |
CHEMBL4294924 | [C][C][C][=N][N][Branch1][C][C][C][Branch2][Ring1][=N][C][O][/N][=C][/C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][#Branch2][Cl] |
Subsets and Splits