chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4239276 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][C][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][#C] |
CHEMBL4239280 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1] |
CHEMBL4239293 | [O][=C][C][C][C@@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][Ring2][Ring1][Ring1] |
CHEMBL4239297 | [O][=C][Branch2][Ring1][=C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][O][C][Ring1][=N][=C][Ring1][P][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] |
CHEMBL4239559 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4239569 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][Ring1][C][#N][=N][C][Ring1][=C][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][C][O] |
CHEMBL4239571 | [O][=C][Branch2][Ring1][C][C][O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][O] |
CHEMBL4239572 | [C][O][C@H1][C][C@H1][Branch2][Branch1][Ring1][O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch2][Ring1][S][C][=C][C][Branch1][C][F][=C][Branch1][S][O][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][F][=C][Ring1][P][=C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=C] |
CHEMBL4239573 | [C][O][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][=C][=C][C][=C][Ring2][Ring1][Branch1][O][C][C][=C][N][Branch2][Ring2][#C][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][O][C][=C][N][=C][C][Branch1][=N][C][#C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][Ring1][=C][N][=N][Ring2][Ring2][=Branch2] |
CHEMBL4239829 | [C][C][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Branch1][C][O][C][=Branch1][C][=O][N][Ring1][P][C] |
CHEMBL4239832 | [C][C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][O][C][C][N][C][C][C][C][Ring1][Branch1] |
CHEMBL4239833 | [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][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][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][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][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
CHEMBL4239838 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C@H1][Branch1][C][O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][N][C][=Branch1][C][=O][C][=N][O][C@@H1][O][C][C][C][C@H1][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][C][C] |
CHEMBL4239839 | [C][N][C][=Branch1][C][=N][C][=C][C][=C][C][=C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=N][N][C][C][=C][Ring1][#Branch2][NH1][Ring1][=N][C][=C][Ring2][Ring1][Ring1][NH1][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N] |
CHEMBL4239843 | [C][#C][C][N][Branch1][C][C][C@H1][Branch1][C][C][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL4240113 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][N][=N][Ring1][P] |
CHEMBL4240114 | [O][=C][Branch2][Ring2][O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][Ring2][Ring1][Ring1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N] |
CHEMBL4240118 | [C][C][S][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][C][=Ring1][O][O][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1] |
CHEMBL4240119 | [C][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][N][/N][=C][\C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][C][=C][Ring1][O][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][=C] |
CHEMBL4240122 | [C][C][C][C][N][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C][C][Ring2][Ring1][#Branch1][=O] |
CHEMBL4240401 | [N][#C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4240404 | [C][C][Branch1][C][C][C][C][C][=C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][C][C][C][N][C][C][C][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL4240407 | [C][C][O][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Si][Branch1][C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring1][S][C][=C][Ring2][Ring1][#C][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL4240410 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=C][Ring2][Ring1][Ring1][F] |
CHEMBL4240413 | [C][O][C][=C][C][Branch1][=Branch2][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][Ring1][N][N][C][=N][C][=C][C][=C][Branch1][C][C][N][=C][Branch1][=C][N][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=C][=N][Ring2][Ring1][C] |
CHEMBL4240414 | [C][C][Branch1][C][C][C][C][C][C@][Branch1][C][C][Branch2][Branch1][O][C@H1][C][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][O][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][P][C][=Branch1][C][=O][C][C@][Ring2][Ring1][=Branch1][Ring2][Ring1][N][C][O][Ring2][Ring2][Branch2] |
CHEMBL4240415 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][N][C][=N][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4240680 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=C][C][=C][C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4240685 | [C][C][O][P][=Branch1][C][=O][Branch2][Ring1][N][C][C][C][C][N][N][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][O][C][C] |
CHEMBL4240686 | [C][C][Branch1][C][C][=C][C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][N][C][Ring1][#C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] |
CHEMBL4240687 | [C][C][=C][C][Branch2][Ring2][#Branch1][C][=C][N][Branch2][Ring1][N][C@@H1][C][N][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][C][Ring1][=C][N][=N][Ring2][Ring1][Ring1][=C][C][=C][Ring2][Ring1][=Branch2][F] |
CHEMBL4240688 | [C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][C][Ring2][Ring1][P] |
CHEMBL4240986 | [C][C][C][C][C][C][C][=Branch1][C][=O][C][/C][=C][/C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] |
CHEMBL4240996 | [C][C][C][C][O][/N][=C][Branch1][C][\C][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][Branch1][C][C][Branch1][C][C][C@H1][C][C][=C][Branch1][C][C][C][C@H1][Ring1][=C][Ring1][#Branch1] |
CHEMBL4240998 | [C][O][C][=C][C][Branch2][Ring1][N][/C][=C][/C][=Branch1][C][=O][N][C][C][C][/C][=Branch1][O][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring1][=C][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][O][O][C] |
CHEMBL4241003 | [C][C][=C][N][=C][C][Branch2][Branch1][C][C][=C][N][=C][Branch2][Ring1][#Branch2][N][C@@H1][C][C@H1][C][C][C@H1][Branch1][Ring2][N][Ring1][Branch1][C@H1][Ring1][Branch2][C][C][C][C][C][O][C][C][Ring1][=Branch1][C][NH1][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][Ring2][Ring1][=N][=Ring1][Branch2][=C][Ring2][Ring2][Ring1] |
CHEMBL4241005 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C][C][=C][NH1][C][Ring2][Ring1][Branch2][=Ring1][Branch1] |
CHEMBL4241246 | [C][C][=Branch1][C][=O][N][C][=C][Branch1][S][/C][=C][/C][=Branch1][C][=O][N][C][C][C][=C][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] |
CHEMBL4241249 | [C][C][=Branch1][C][=O][N][N][=C][Branch2][Ring1][#Branch2][N][C][=N][C][=Branch1][C][=O][/C][=Branch1][=N][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][=C][S][C][Ring2][Ring1][Ring2][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4241251 | [O][=C][Branch2][Ring1][O][C][C][C][C][N][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][=O][N][O] |
CHEMBL4241252 | [S][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][N][/N][=C][\C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][C][=C][Ring1][O][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4241253 | [C][C][C][O][C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][C][=N][C][=Branch2][Ring2][#C][=C][C][NH1][C][Branch2][Ring1][Branch2][C][=C][N][=C][Branch1][=Branch2][C][=C][Ring2][Ring1][C][NH1][Ring1][S][C][Branch1][C][C][=C][Ring1][=Branch2][C][C][=C][Branch1][C][C][C][=Ring2][Ring1][C][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch1][C@@H1][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][O][C@@H1][Ring2][Ring2][#Branch2][C] |
CHEMBL4241270 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][N][C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N] |
CHEMBL4241534 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N] |
CHEMBL4241535 | [C][C][Branch2][Ring1][=Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] |
CHEMBL4241539 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][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][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C] |
CHEMBL4241547 | [O][=C][Branch2][Ring2][C][C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring2][Ring1][C][O][C][C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Branch1] |
CHEMBL4241549 | [C][O][C][=C][C][=C][Branch2][Ring2][#C][C][=N][C][Branch1][C][Cl][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][C] |
CHEMBL4241559 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][S][C][N][N][=C][C][=C][Branch1][#C][N][C][C][=N][N][Branch1][Branch1][C][C][O][C][C][=Ring1][=Branch2][N][=C][N][=C][Ring1][S][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch2] |
CHEMBL4241561 | [C][C][=C][C][=Branch2][Ring1][C][=N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=C][Ring1][#Branch2][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring2][Ring1][=Branch1].[Cl] |
CHEMBL4241562 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4241840 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][/C][=Branch2][Ring1][Branch1][=C][/C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][Ring2][Ring1][Ring2][=O] |
CHEMBL4241841 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=C][Branch1][=N][/C][=N][/N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4241842 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][C@@H1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4241844 | [C][C][C][N][Branch2][=Branch1][#C][C][C][C][=C][C][=C][Branch2][Branch1][P][N][C][=Branch1][C][=O][C][C][C][=C][N][Branch2][Ring2][#C][C][C][C][C][C][C][C][C][N][Branch1][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][N][=C][C][Branch1][=N][C][#C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][Ring1][=C][N][=N][Ring2][Ring2][#Branch1][C][=C][Ring2][Branch1][C][C][C][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Ring1][O] |
CHEMBL4241845 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch1][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][S][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4241849 | [O][=C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][N][Branch2][Ring2][Ring2][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4241867 | [O][=C][Branch2][Ring1][=Branch2][N][/N][=C][\C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4242086 | [C][C][Branch1][C][C][C][Branch1][O][C][C][C][C][C][=Branch1][C][=O][N][O][N][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring1][S][=O] |
CHEMBL4242089 | [O][=C][Branch1][C][O-1][C][=C][C][Branch2][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Branch2][O].[K+1] |
CHEMBL4242094 | [C][N][Branch1][C][C][C][=Branch1][C][=N][C][=C][C][=C][C][=C][Branch2][Ring2][N][C][=C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=N][N][Branch1][C][C][C][C][=C][Ring1][O][NH1][Ring1][=C][=C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2][NH1][C][Ring2][Ring1][=N][=C][Ring2][Ring1][P] |
CHEMBL4242095 | [C][S][C][S][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][C][=Ring1][Branch2][S][=Branch1][C][=O][=Branch2][Ring1][=Branch2][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][N][=O][=C][Ring1][#Branch2][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=C][Branch1][C][C][C][=C][Branch1][#Branch1][N][C][=Branch1][C][=N][N][C][=C][Ring1][O][N][=C][Ring2][Ring1][C] |
CHEMBL4242100 | [F][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Ring2][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][#Branch1][Cl] |
CHEMBL4242101 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C@H1][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][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][Ring2][Ring1][=Branch2] |
CHEMBL4242107 | [C][C][=Branch1][C][=O][O][C@H1][C][=Branch1][C][=O][C@][Branch1][C][C][C@@H1][Branch1][C][O][C][C@H1][O][C][C@@][Ring1][Ring2][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring1][=C][C@@H1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][/C][=C][/C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][O][C@@H1][C][C@][Ring2][Ring1][P][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring2][Branch1][#Branch1][=C][Ring1][=Branch2][C] |
CHEMBL4242109 | [C][C][=C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][=Branch1][C][=O][O][/C][Ring1][=Branch2][=C][/C][=C][C][Branch1][C][Br][=C][S][Ring1][=Branch1] |
CHEMBL4242333 | [O][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][O][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][N][Ring2][Ring1][C][Ring1][=Branch1] |
CHEMBL4242334 | [C][C][C@][Branch1][C][O][C][C@@H1][C][N][Branch2][#Branch1][O][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][Branch2][Branch1][#Branch2][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][N][Branch1][C][C][C@H1][C@][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][=Branch2][C@][Branch1][Ring1][C][C][C][C][C][N][C][C][C@][Ring2][Ring1][N][Ring2][Ring1][Ring2][C][Ring1][Branch1][Ring1][O][C][Ring2][Branch1][Ring1][C][Ring2][Branch1][#Branch1] |
CHEMBL4242335 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][C][C][Ring1][=N][C][C][Ring2][Ring1][Branch2] |
CHEMBL4242337 | [C][/C][=C][/C][C@H1][Branch1][C][C][C@@H1][Branch1][Ring1][O][C][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C][C@H1][O][C][=Branch1][C][=O][C][Branch1][C][C][=C][C@H1][Ring1][Branch2][C][C] |
CHEMBL4242345 | [C][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Ring2][Ring2][C][O][C][=Branch1][C][=O][O][C][O][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][S][Ring1][#Branch2][=C][Branch1][C][C][C][Ring2][Ring1][S][=O] |
CHEMBL4242347 | [O][=C][Branch1][C][O][C][C@@H1][C][O][C][=C][C][Branch2][Ring2][N][O][C][C][=C][C][=C][C][Branch2][Ring1][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=C][Ring2][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][#C][Ring2][Ring2][C] |
CHEMBL4242627 | [C][O][C][=C][C][=C][Branch1][#C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1] |
CHEMBL4242630 | [C][C][N][Branch1][Ring1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][O][Ring1][=N] |
CHEMBL4242635 | [O][=C][Branch1][C][O][C][C@H1][Branch2][Ring1][=C][C][N][C][C][C@@H1][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][C][C][Ring1][#Branch1][C][Ring1][P][C][=C][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][=Branch2] |
CHEMBL4242639 | [C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4242899 | [Cl][C][=N][C][Branch1][N][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][N][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][S][=N][Ring2][Ring1][=N] |
CHEMBL4242909 | [C][C][C][O][C][=C][Branch2][Ring2][Ring1][N][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][C][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring2][Ring2][Ring1][C][Ring2][Ring1][P][=Ring1][#Branch2] |
CHEMBL4242913 | [C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][C][=C][S][C][=Ring1][Branch1] |
CHEMBL4242918 | [C][C][Branch1][C][C][C][C][C][C@][Branch1][C][C][Branch2][Ring2][P][C@H1][C][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][O][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][=Branch1][C][=O][C][C@][Ring1][#C][Ring2][Ring1][Branch1][C][O][Ring2][Ring1][P] |
CHEMBL4242919 | [Br][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring1][=C][C][O][Ring2][Ring1][Ring1].[Cl] |
CHEMBL4242930 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Branch1][C][N][C][=C][Branch2][Ring1][=Branch2][/C][=N][/N][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][O][C][=C][Ring2][Ring1][P] |
CHEMBL4242932 | [C][O][C][=C][C][=C][Branch1][#C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1] |
CHEMBL4242933 | [C][C@@H1][O][C@@H1][Branch2][#Branch2][Ring1][O][C@H1][C@H1][Branch2][#Branch1][=C][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][=Branch1][#Branch2][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][=C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=N][Ring1][#C][C][C][C@][Ring2][Ring1][#C][Ring2][Ring2][Ring2][C][C][Ring2][Ring2][=C][Branch1][C][C][C][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][Ring2][=Branch1][Ring1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch1][=N][O] |
CHEMBL4242946 | [C][C][=C][C][=C][Branch2][Ring2][P][C@H1][Branch2][Ring1][S][C][C][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@@H1][Branch1][S][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring2][C] |
CHEMBL4243218 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][/C][=C][\S][C][Branch2][Ring1][=N][N][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#C][=N][C][Ring2][Ring1][Branch1][=O][C][=C][Ring2][Ring1][=N] |
CHEMBL4243219 | [C][C][Branch1][C][C][C][C@H1][Branch1][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][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][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][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][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O] |
CHEMBL4243226 | [O][=C][N][/C][=Branch2][Ring1][S][=N][\C][=N][N][=C][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][S][Ring1][#C][S][/C][Ring2][Ring1][Branch1][=C][/C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2] |
CHEMBL4243227 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][Branch1][=Branch1][O][C][C][C][N][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][=C][Ring1][P] |
CHEMBL4243482 | [C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][C][=Ring1][#C][C][=C][C][=N][C][Branch1][=C][N][C][=Branch1][C][=N][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][#C] |
CHEMBL4243497 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C@@H1][Ring1][Ring2][C][C][N][C][C][N][Branch1][=C][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C] |
CHEMBL4243499 | [C][C][Branch1][C][C][C][C][C][=C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][C][C][O][C][C@@H1][C][N][Branch1][C][C][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][C] |
CHEMBL4243506 | [C][O][C][=C][C][=C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][C][Ring2][Ring1][N][=C][Ring2][Ring1][S] |
CHEMBL4243788 | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][O][N][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] |
CHEMBL4243790 | [C][C][C][C][N][Branch2][Ring2][O][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][Branch1][C][N][C][Branch1][C][N][=C][Ring1][Branch2][C][C][Ring2][Ring1][=C] |
CHEMBL4243791 | [C][C][=C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][F][C][Ring1][P][=C][C][C][=N][NH1][C][Ring2][Ring1][#C][=Ring1][Branch1] |
CHEMBL4243794 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][Ring1][C][=O][O][Ring1][#Branch1][C][=C][Ring1][=N][O][C] |
CHEMBL4244030 | [N][C][C][C][C][C][C][C][=Branch1][C][=S][N][/N][=C][\C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][C][=C][Ring1][O][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4244032 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=N][C][Branch1][Ring1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4244036 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][C][=N][N][Ring1][Branch1][C][=C][Ring1][#Branch2][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#Branch1] |
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