chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4277719 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4277789 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][Branch1][Branch2][C][#C][C][=Branch1][C][=O][O][C][=C][Ring1][O][=C][Ring2][Ring1][Ring1] |
CHEMBL4277790 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring2][Ring1][C][C] |
CHEMBL4277791 | [O][C][C@H1][O][C@@H1][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Branch1][C][Cl][N][=C][N][=C][Ring1][#Branch1][Ring1][#C][C@H1][Branch1][C][F][C@@H1][Ring2][Ring1][Branch1][O] |
CHEMBL4277792 | [C][C][Branch1][C][C][C][C][C@][C][C][C@][Branch1][C][C][C@H1][Branch2][Branch1][#Branch1][C][C][C@@H1][C@@][Branch1][C][C][Branch1][Ring2][C][C][#N][C@H1][Branch2][Ring1][=N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C][C][C@][Ring2][Ring1][#Branch2][Ring2][Ring1][#C][C][C@H1][Ring2][Ring2][Ring2][C@H1][Ring2][Ring2][=Branch2][O][C][Ring2][Ring2][#Branch1] |
CHEMBL4277793 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch1][P][C][C][C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][C][Ring1][S][C][Branch1][C][Cl][=C][Ring2][Ring1][=C][Cl] |
CHEMBL4276725 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][O][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=N][N][C][C][C][C][S][Ring1][=Branch1][=Branch1][C][=O][=O][=C][N][Ring2][Ring1][Branch2][Ring1][=C][C][C][Ring2][Ring1][#C] |
CHEMBL4276726 | [C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=N][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring2][Ring1][C][Ring1][=C] |
CHEMBL4276727 | [C][C][C][N][C][=Branch1][C][=O][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] |
CHEMBL4276728 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][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][#Branch1][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][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][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][Branch2][#Branch2][=C][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch2][S][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][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][Ring1][C][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][Ring1][C][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][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][#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][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][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][O][C@@H1][Branch1][C][C][C][C] |
CHEMBL4276808 | [O][=C][C][=C][C][=C][Branch2][Ring1][#C][O][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][#Branch2][O][C][C][Ring2][Ring1][=C][C][O] |
CHEMBL4276809 | [C][O][C][=C][C][Branch1][=N][/C][=C][/S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][=C][C][=C][Ring1][=C][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4276810 | [C][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Branch1][C][C][C] |
CHEMBL4276811 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][C][=N][C][Branch1][C][C][=N][C][C][=C][N][Branch1][C][C][C][Ring1][O][=Ring1][=Branch1].[Cl] |
CHEMBL4276897 | [C][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][N][=C][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=N][Ring2][Ring1][C] |
CHEMBL4276898 | [N][#C][C][Branch2][Branch1][Branch2][C][=C][C][Branch2][Ring2][N][N][C][=N][C][Branch1][O][N][C][C][Branch1][C][F][Branch1][C][F][F][=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][=Branch1][=C][C][=N][Ring2][Ring1][=N][C][C][Ring2][Ring1][S] |
CHEMBL4276899 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=N][C][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][#C][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][=Branch1] |
CHEMBL4276900 | [C][=C][C][C][C][C][C][C][C][C][C][O][C][C][N][Ring1][Branch1][C][C] |
CHEMBL4276976 | [C][C][S][C][Branch2][Ring1][C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=C][C][=Ring1][S][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Cl][S][Ring1][=Branch1] |
CHEMBL4276977 | [C][C][Branch1][C][C][C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C][=Branch2][#Branch1][Branch2][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][Branch1][O][C@@H1][O][C][C@H1][Branch1][P][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][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][Ring1][N][O][C@@][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Ring2][Ring2][Branch2][C][C][C@][Ring2][Ring2][N][Ring2][Ring2][P][C][C@H1][Ring2][Branch1][=Branch2][C][Ring2][Branch1][=C] |
CHEMBL4276978 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Branch1][N][N][Branch1][C][C][C][C][N][Branch1][C][C][C][N][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
CHEMBL4276979 | [C][O][C][=C][C][=C][Branch2][Branch1][C][C][=N][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2][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][O][C][=C][Ring2][Ring1][P] |
CHEMBL4276980 | [C][=C][C][C][C][C@@][Branch1][C][C][Branch1][=N][C][=Branch1][C][=O][O][C][C][C][C][C][C][Br][C][C][C][C@][Ring1][P][Branch1][C][C][C@H1][Ring2][Ring1][=Branch1][C][C][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Ring1][=C][=C][Ring2][Ring1][C] |
CHEMBL4277064 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][=C][Ring2][Ring1][Ring2] |
CHEMBL4277065 | [O][=C][Branch2][Ring1][Branch2][C][C][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][O][Ring1][=N][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][F] |
CHEMBL4277066 | [N][C][=N][C][O][C][=C][C][=C][Branch1][#C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][=C][Ring1][=C][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CHEMBL4277067 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4277068 | [C][C@H1][Branch2][Branch1][Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][P][=Branch1][C][=O][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4277144 | [O][=C][Branch1][N][N][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][C][Ring1][P][=O] |
CHEMBL4277145 | [O][=C][C][C][=C][Branch2][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N][Ring1][#Branch2][C][=C][C][Branch1][Branch1][/C][=C][/C][O][=C][C][=C][Ring1][#Branch2][N][Ring2][Ring1][#Branch2] |
CHEMBL4277146 | [C][O][C][=C][C][=C][Branch2][Ring2][P][C][=Branch1][C][=O][/C][=C][/C][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][N][=Ring2][Ring1][=Branch2][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4277147 | [C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Branch1][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][=C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][N][Ring2][Ring1][Ring2][Ring1][=Branch2][C][C][Ring2][Ring1][O] |
CHEMBL4277234 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][O][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL4277235 | [O][=C][C][=C][Branch1][=C][C][#C][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1][O][Ring2][Ring2][C] |
CHEMBL4277236 | [C][C][C][C][N][C][=Branch1][C][=O][NH1][C][N][=C][N][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][C][C][C][N][Ring1][=Branch2][C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4277237 | [C][C][Branch1][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][N][Ring1][=C][C][=Branch1][C][=O][C@@][Ring1][=Branch1][C][C@][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][N][C][C@@H1][O][C@@H1][Ring1][Ring1][C@@H1][Ring1][=Branch1][C][C@H1][Ring1][=N][C][Ring1][S][Branch1][C][C][C] |
CHEMBL4277238 | [C][C][C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Branch1][C][O][C][=C][Ring2][Ring1][Ring1][O] |
CHEMBL4277239 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][=N][N][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=N][C][=Ring2][Ring1][Branch1][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring2][Ring1][#C][Ring1][=Branch1] |
CHEMBL4277322 | [C][#C][C@@][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@@H1][Branch2][Ring1][Ring2][N][C][=C][Branch1][C][F][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][O][C@@H1][Ring2][Ring1][Ring1][O] |
CHEMBL4277323 | [C][C][=C][C][=C][NH1][C][=C][Branch2][Ring2][N][C][Branch1][P][C][=C][NH1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch2][Ring1][#Branch1][P][=Branch1][C][=O][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][N][=C][Ring2][Ring1][S] |
CHEMBL4277324 | [O][=N+1][Branch1][C][O-1][C][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Branch1][C][Cl][=C][N][Ring2][Ring1][#Branch2][Ring1][=N] |
CHEMBL4277325 | [C][O][C][=C][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][Branch2][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring1][P][=C][Ring2][Ring1][#Branch2] |
CHEMBL4237449 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][=C][Ring1][P][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4237452 | [C][C][Branch2][Ring1][=Branch2][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] |
CHEMBL4237453 | [O][=C][Branch2][Ring2][Branch1][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4237694 | [C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][=C][C][N][N][=C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][S][C][Ring2][Ring1][#Branch1] |
CHEMBL4237695 | [C][O][C][=Branch1][C][=O][C][C][C@@][Branch1][C][C][C][C][=Branch1][C][=O][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch2][C][C@@H1][Branch1][C][O][C@@H1][C@@H1][Branch2][Ring1][C][C@@][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring2][C] |
CHEMBL4237697 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][S][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][S][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=N][O][C@@H1][O][C][C][C@H1][Ring1][Branch2][Ring1][Branch1][C][Branch1][C][C][C] |
CHEMBL4237702 | [C][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4237704 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][O] |
CHEMBL4237706 | [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] |
CHEMBL4237709 | [O][=C][Branch2][Ring2][Ring2][N][C][C][N][C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] |
CHEMBL4238013 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring1][=Branch1][N][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][Ring1][=C][C].[Cl] |
CHEMBL4238015 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
CHEMBL4238016 | [C][C][C][C][=C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][S][Ring2][Ring1][=Branch1] |
CHEMBL4238018 | [C][C@@][C][C][C@H1][C@][Branch1][C][C][C][C][C][C@@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][O][C][C][C@][Ring1][#C][Branch2][Ring1][Ring2][C][/C][Ring2][Ring1][Ring2][=N][\N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][#C] |
CHEMBL4238021 | [C][/C][=C][Branch1][C][/C][C][=Branch1][C][=O][O][C@H1][C][Branch1][C][C][=C][C@@H1][O][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][C][O][C@@][Ring1][Branch2][Branch1][C][O][C@@H1][Branch1][N][O][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][C][C][C@][Branch1][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring1][#Branch2][C@@H1][Ring2][Ring1][=C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C] |
CHEMBL4238023 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring2][=Branch1][C][=N][C][=C][Branch2][Ring1][=Branch2][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][Ring1][P][C][O][C][Ring2][Ring1][C][C][Ring2][Ring1][=Branch2][N][=C][Ring2][Ring2][C] |
CHEMBL4238024 | [O][=C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4238269 | [C][C@][C][C][C@H1][C@@H1][Branch2][Ring1][P][C][C][=C][C][C@@H1][Branch1][P][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][C@@][Ring1][S][Ring2][Ring1][Ring2][C][C@@H1][Ring2][Ring1][=Branch2][C][C][Branch1][Ring1][C][=O][=C][Ring2][Ring1][=C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4238271 | [C][C][=Branch1][C][=O][N][C@H1][C][S][S][C][C@@H1][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][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][=Branch1][C][=O][O][N][C][Ring2][Ring2][Branch2][=O] |
CHEMBL4238272 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][#C][C][S][C][=Branch1][C][=S][N][C][C][C][C][C][P][=Branch1][C][=O][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4238273 | [C][C@@H1][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring2][S][C][=Branch1][C][=O][O][C][C][C][C][C][O][C][=Branch1][C][=O][C@@][Branch1][C][C][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@H1][C@H1][Branch1][C][C][C][C][C@@H1][Ring1][#C][C@][Ring1][#Branch1][Ring1][=N][O][O][Ring1][=N][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@@H1][Ring2][Ring2][O][C@@][Ring2][Ring2][=Branch2][Ring1][Branch2][O][O][Ring1][Branch2] |
CHEMBL4238281 | [O][=C][Branch1][P][N][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=N][Ring1][Branch2][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] |
CHEMBL4238284 | [C][C][O][P][=Branch1][C][=O][Branch2][Ring2][C][C][C][C][C][C][C][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] |
CHEMBL4238535 | [O][=C][Branch1][Ring1][C][Cl][N][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4238536 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=N][C][Branch1][Ring1][C][#N][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][=C][=C][Ring2][Ring1][Branch1] |
CHEMBL4238538 | [C][O][C][=C][C][=C][Branch2][Ring2][=N][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][O][C][Branch1][C][N][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][S] |
CHEMBL4238545 | [C][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C@][Branch1][Ring2][C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][C][C][C][Ring1][Branch2][Branch1][C][C][C] |
CHEMBL4238832 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][N][=N][C][Branch1][Ring1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4238835 | [C][C][C][C][C][C][C@H1][Branch2][Ring2][Ring2][C][/C][=C][\C][C][C][C][C][C][C][C][S][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4238836 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Se][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4238845 | [O][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][Ring2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C] |
CHEMBL4238846 | [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][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#Branch1] |
CHEMBL4238847 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][O][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring2][Ring1][C][O] |
CHEMBL4239108 | [N][C@@][C][C][C][C][C@@H1][Ring1][=Branch1][C][N][C][Ring1][=Branch2] |
CHEMBL4239110 | [C][/C][=Branch2][Ring2][Branch1][=C][\C][C][=C][Branch1][C][O][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][=C][Ring2][Ring1][Ring1][O][C][O] |
CHEMBL4239115 | [C][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][C][N][Branch2][Ring1][#Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4239116 | [C][O][C][=C][C][=C][C][Branch2][Ring2][Ring1][O][C][C][=N][N][=C][S][C][Branch2][Ring1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][=N][N][Ring1][P][Ring1][=C][=C][C][=N][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N] |
CHEMBL4239399 | [C][N][N][=C][C][=C][C][=C][Branch1][#C][N][C][=N][NH1][C][=C][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring1][S][Ring2][Ring1][Ring1] |
CHEMBL4239401 | [O][=C][Branch2][Ring1][C][/C][=C][/C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4239406 | [C][C@H1][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][S][N][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4239409 | [C][C][=Branch1][C][=O][N][C@H1][C][S][S][C][C@@H1][Branch1][=Branch1][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][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][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][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][Ring2][Branch1][=Branch2][=O] |
CHEMBL4239410 | [C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][=Branch1][C][=O][O][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][P][Ring1][O] |
CHEMBL4239411 | [Cl].[O][=C][Branch1][C][O][C][C@@H1][C][O][C][=C][C][Branch2][Ring2][#Branch2][O][C][C][=C][C][=C][C][Branch2][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=C][Ring2][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][#C][Ring2][Ring2][C] |
CHEMBL4239687 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][F] |
CHEMBL4239688 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][P][=C][Ring2][Ring1][#Branch1][C] |
CHEMBL4239691 | [C][C][=C][C][=C][C][Branch2][Ring2][Branch2][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][=C] |
CHEMBL4239696 | [C][C][N][C@H1][C][O][C@@H1][Branch2][O][=Branch1][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][=Branch1][=Branch1][N][O][C@H1][C][C@H1][Branch1][C][O][C@H1][Branch2][Branch1][C][S][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][C][I][=C][Branch2][Ring1][Branch1][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][O][C][C@H1][Ring1][#Branch2][O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C][C@@H1][Branch1][C][C][O][Ring2][Ring2][Ring1][C@@H1][Branch1][C][C][O][C@H1][Ring2][Ring2][=N][O][C][C@][C][#C][/C][=C][\C][#C][C@H1][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][Ring2][Ring1][=C][O][C@][Ring2][Ring1][=Branch2][Ring1][Ring1][C][C][C][Ring2][Ring2][Ring1][C][C@@H1][Ring2][#Branch1][=Branch2][O][C] |
CHEMBL4239697 | [N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N+1][Branch2][Ring2][#Branch1][C][C][C][C][C][C][N][N][=N][C][=C][Ring1][Branch1][C][C][N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N][C][=C][C][Branch1][C][N][=C][C][=C][Ring2][Ring2][=C][Ring1][#Branch1] |
CHEMBL4239705 | [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][=C][C][=C][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4239711 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@H1][Ring1][=Branch1][C][C@@H1][Ring1][=Branch1][N][C][=N][C][=N][C][=C][Branch1][#C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][F][N][=C][N][=C][Ring2][Ring1][Ring2][Ring1][S] |
CHEMBL4239958 | [C][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][C][=N][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][O][C][=N][C][=Ring1][Branch1][C][=N][C][Branch1][#C][N][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][Branch2][=C][Ring2][Ring1][Branch2][Ring2][Ring1][O] |
CHEMBL4239965 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][Branch2][N][C][=C][Branch1][S][/C][=N][/N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4239966 | [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][C][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] |
CHEMBL4239967 | [O][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Branch2][Ring1][Branch1][C][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][Branch1][C][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4240236 | [N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][/C][=Branch1][=Branch2][=C][\C][=C][C][=C][O][Ring1][Branch1][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4240237 | [C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][N][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring2][Ring1][=N] |
CHEMBL4240238 | [C][=C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=C][C][N][N][=C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][S][C][C][Ring2][Ring1][#Branch1] |
CHEMBL4240242 | [C][C][Branch1][C][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][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][=C][S][Ring1][Branch1] |
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