chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4246285 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][=C][Branch1][C][C][C][Ring2][Ring1][P][=Ring2][Ring1][=Branch2] |
CHEMBL4246290 | [C][C][=C][C][=C][Branch2][Branch1][Ring2][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][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][S][Ring2][Ring2][Ring1] |
CHEMBL4246292 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][C][C][S][C][=Branch1][C][=S][N][C][C][C][C][C][C][P][=Branch1][C][=O][Branch1][Branch2][O][C][C][Branch1][C][C][C][O][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4246298 | [C][C][C][N][C][C@H1][O][C][C@@H1][Ring1][=Branch1][C][C@@H1][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] |
CHEMBL4246555 | [O][=C][C][=C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CHEMBL4246561 | [C][C@H1][Branch1][O][C][C][C][C][C][=Branch1][C][=O][N][O][N][C][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][NH1][C][Ring1][=Branch2][=C][Ring1][=N][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4246562 | [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][C][Cl][=C][Ring1][#Branch1][Cl] |
CHEMBL4246563 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=Ring1][#C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4246878 | [C][C][C][C][C][=C][C][=C][Branch2][Ring2][N][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][P][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][Cl][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=C] |
CHEMBL4246881 | [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][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] |
CHEMBL4246884 | [C][C][O][C][Branch1][Ring2][O][C][C][P][=Branch1][C][=O][Branch2][Ring1][#Branch2][C][C][C][C][N][C][=Branch1][C][=S][S][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][O][O][C][C] |
CHEMBL4246894 | [O][=C][Branch2][Ring2][Ring1][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][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2] |
CHEMBL4247157 | [C][C][=C][C][=C][Branch2][=Branch1][#Branch2][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][=C][Ring2][Ring2][S] |
CHEMBL4247158 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4247160 | [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][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] |
CHEMBL4247161 | [C][N][Branch1][C][C][C][C@@H1][Branch2][Ring1][#Branch1][N][C][=N][N][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Ring1][=N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2] |
CHEMBL4247164 | [C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Branch2][Branch2][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][Branch2][C][C][N][Branch1][C][C][C][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][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][Ring2][Branch1][Ring1][=O][C@@H1][Branch1][C][C][O] |
CHEMBL4247166 | [C][C@@H1][C][C][C@H1][C@@][Branch1][C][C][Branch2][Branch1][=Branch2][/C][=C][\C][O][P][=Branch1][C][=O][Branch2][Ring2][Branch1][O][C][/C][=C][/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][=C][C][=C][C][=C][Ring1][=Branch1][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@@H1][Ring2][Ring2][P][C@@][Ring2][Ring2][#C][Ring1][Branch2][O][O][Ring1][Branch2] |
CHEMBL4247167 | [C][C][=Branch1][C][=O][N][N][=C][Branch2][Ring1][Branch2][N][C][=N][C][=Branch1][C][=O][/C][=Branch1][O][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][=C][S][C][Ring2][Ring1][Ring2][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4247460 | [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][N][=C][S][Ring1][Branch1][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4247462 | [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][N][=O] |
CHEMBL4247465 | [C][O][C][Branch2][Ring2][C][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][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2] |
CHEMBL4247466 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][#Branch2][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@H1][Ring1][Branch2][Ring1][Branch1][C][Branch1][C][C][C] |
CHEMBL4247471 | [O][=C][Branch1][=C][/C][=C][/C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CHEMBL4247474 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][N][N][C][=N][C][Branch2][Ring1][=C][N][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][Ring1][P][=N][C][=C][Ring2][Ring1][Branch2][Cl][=C][Ring2][Ring1][S] |
CHEMBL4247475 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][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][=C][Ring2][Ring1][Branch2][C] |
CHEMBL4247804 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=N][/N][=C][\C][C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][#Branch1][C][N][Ring1][S][Ring1][N][C@@H1][Ring1][N][Ring1][Branch2][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4247810 | [C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][=O] |
CHEMBL4247811 | [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][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4248083 | [C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch2][Ring1][=Branch2][N][C@H1][C][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][=N][Ring2][Ring1][=Branch2] |
CHEMBL4248086 | [C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=N][Ring1][O][C][=C][Ring1][P][C][#N] |
CHEMBL4248088 | [O][=C][C][=N][C][=C][C][=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] |
CHEMBL4248090 | [C][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][N][Ring1][O][O][C][=C][Ring2][Ring1][C][C][#N] |
CHEMBL4248340 | [N][C][C][=C][N][Branch2][Ring1][#Branch1][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch1][O][O][C][P][=Branch1][C][=O][Branch1][C][O][O][C][Ring1][N][C][=Branch1][C][=O][N][=Ring2][Ring1][Ring1] |
CHEMBL4248344 | [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][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][C] |
CHEMBL4248346 | [O][=C][Branch2][Ring1][=N][C][C][C][C][C][N][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=N][=O][N][O] |
CHEMBL4248352 | [O][=C][Branch2][Ring1][=N][N][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4248355 | [C][C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][P][=C][Ring2][Ring1][Branch2] |
CHEMBL4248596 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][Ring2][Ring1][Branch2] |
CHEMBL4248597 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C@@H1][Ring1][Branch1][C][C][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4248604 | [N][C][=Branch1][C][=O][C][=C][C][Branch2][Branch1][C][C][=C][C][=C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C@H1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch2][=C][C][=N][Ring2][Ring1][S] |
CHEMBL4248608 | [O][=C][C][Branch1][C][O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][C][C][N][Ring2][Ring1][Ring1][Ring1][Branch1] |
CHEMBL4248609 | [C][O][C][=C][C][=C][Branch2][Ring2][N][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][C][Ring2][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][S][O][C] |
CHEMBL4248617 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][=C][Branch1][Ring1][C][O][N][=N][N][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4248620 | [C][S][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] |
CHEMBL4248881 | [N][C@@][C][C][C][C][C@H1][Ring1][=Branch1][C][N][C][Ring1][=Branch2] |
CHEMBL4248883 | [O][=C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][=N][C][Branch1][=C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][S][Ring1][=C] |
CHEMBL4248889 | [N][C][=C][C][=C][Branch2][Ring1][=N][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][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4248896 | [F][C][=C][C][=C][Branch2][Ring2][C][C][N+1][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][O].[Br-1] |
CHEMBL4249161 | [C][O][C][=C][C][=C][NH1][C][=C][Branch2][Ring1][#C][C][C][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=N][O][Ring1][P][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
CHEMBL4249165 | [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] |
CHEMBL4249170 | [N][C@@H1][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4249171 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@@H1][Branch2][Ring1][P][O][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][C][Ring2][Ring1][N] |
CHEMBL4249172 | [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][=Branch2][O][C@H1][C][C][O][C][Ring1][Branch1][=C][Ring1][N] |
CHEMBL4249176 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][=C][Branch1][C][C][C][Ring2][Ring1][=Branch1][=Ring1][=C] |
CHEMBL4249179 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C@H1][Ring1][Branch1][C][C][N][C][C][N][Branch1][=C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C] |
CHEMBL4249185 | [C][C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4249409 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch2][Ring1][#Branch1][C][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][O] |
CHEMBL4249411 | [O][=C][C][=C][C][=N][C][=C][C][C][=C][C][Branch2][Ring1][Ring2][O][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][N][=C][C][=C][Ring2][Ring1][Ring1][N][Ring2][Ring1][N][C][Ring2][Ring1][#Branch2][=Ring2][Ring1][=Branch1] |
CHEMBL4249415 | [C][O][C][=C][C][Branch1][P][N][C][=N][N][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] |
CHEMBL4249418 | [C][C][Branch1][C][C][/C][=C][/C][=C][Branch1][C][O][C][=C][O][C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][=C][Branch1][Branch2][/C][=C][/C][Branch1][C][C][C][C][=Branch1][C][=O][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][=Branch2][O] |
CHEMBL4249426 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C@H1][Ring1][Branch1][C][C][N][C][C][=C][Branch1][P][C][=C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S] |
CHEMBL4249726 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=N][C][Branch1][C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][#Branch2][C][=C][Ring1][P] |
CHEMBL4249729 | [C][C][=C][C][C@H1][C@H1][Branch1][Ring2][C][Ring1][=Branch1][C][=C][Branch1][C][O][C][=C][Branch2][Ring1][C][/C][Branch1][C][C][=N][/O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][O][C][Ring2][Ring1][=Branch2][Branch1][C][C][C] |
CHEMBL4249732 | [O][=C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL4249734 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][=C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][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][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=O][C][S][S][C][C@@H1][Branch2][#Branch1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][Ring2][O][#C][=O] |
CHEMBL4249997 | [C][O][C][=C][C][=C][Branch2][Ring2][=N][/C][=C][/S][/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][N][C][Ring2][Ring1][Branch1][=O][C][=C][Ring2][Ring1][=N] |
CHEMBL4249999 | [O][=C][Branch2][Ring2][Branch2][N][C@@H1][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL4250000 | [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][Ring1][Branch1][=C][Ring2][Ring1][Branch2] |
CHEMBL4250001 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][O][N][=N][N][Ring1][Branch1][C][C][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[K+1].[K+1] |
CHEMBL4250240 | [C][O][C][=C][C][=C][Branch2][Ring2][P][N][C][=N][C][Branch2][Ring1][#C][N][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][=Branch2][C][Ring1][P][=N][C][=C][Ring2][Ring1][#Branch1][C][O][C][Ring1][Branch1][C][=C][Ring2][Ring1][P] |
CHEMBL4250245 | [O][=P][Branch1][Branch2][C][C][C][C][N][=C][=S][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4250253 | [C][O][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][=C][Ring1][=Branch2][C][=C][C][C][Branch2][Ring1][N][C][=Branch1][C][=O][O][C@@H1][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][O][O][=C][NH1][C][=Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][Cl] |
CHEMBL4250254 | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch1][S][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][C][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][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][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C][Branch1][C][N][=O] |
CHEMBL4250256 | [O][=C][Branch1][#C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][O] |
CHEMBL4250257 | [C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CHEMBL4250258 | [C][O][C][=C][C][Branch1][S][/C][=C][/C][=Branch1][C][=O][N][C][C][C][=C][C][Ring1][=Branch1][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C][C][N][C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][S][/C][=C][/C][=Branch1][C][=O][N][C][C][C][=C][C][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][Ring1][O][C] |
CHEMBL4250552 | [N-1][=N+1][=N][C][=C][C][=C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][S] |
CHEMBL4250556 | [N][C][=N][C][=C][Branch2][Ring1][N][N][=C][N][Ring1][Branch1][C@H1][C][=C][Branch1][C][F][C@@H1][Branch1][O][O][C][P][=Branch1][C][=O][Branch1][C][O-1][O-1][C][Ring1][N][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch1].[Na+1].[Na+1] |
CHEMBL4250557 | [C][N][C][=N][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] |
CHEMBL4250558 | [O][=C][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4250559 | [C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=N] |
CHEMBL4250560 | [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][O][C][C][Ring1][=Branch1][S][Ring2][Ring2][C] |
CHEMBL4250561 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][=C][C][Branch1][C][C][C][=N][C][=C][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][=C][C][=C][Ring1][#C][N][Ring2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring2][C] |
CHEMBL4250894 | [O][=C][Branch1][#C][N][C][=C][C][=C][C][N][=C][S][C][Ring1][=Branch2][=Ring1][Branch1][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4250899 | [C][C][Branch1][C][C][C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][C][C][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S] |
CHEMBL4250901 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][O][C][=C][C][=Branch2][Ring1][=Branch1][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][Branch2][C@][Ring1][O][Branch1][C][C][C][Ring1][P][=O][O][/C][=Branch2][Ring1][#C][=C][\C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C][O][C][Ring2][Ring1][=C][=O] |
CHEMBL4250902 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][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][Ring2][Ring1][P] |
CHEMBL4250903 | [C][C][C][C][N][C][C][N][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][C][C][Ring2][Ring1][#Branch1][=O] |
CHEMBL4250905 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=N][C][Branch1][C][N][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][Ring1][S][C][Branch1][C][Cl][=C][Ring2][Ring1][Branch2] |
CHEMBL4251207 | [O][=C][Branch1][C][O-1][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring1][#C][O].[K+1] |
CHEMBL4251210 | [C][O][C][=N][C][=C][Branch2][Ring1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][Ring1][P][C][=C][Ring2][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
CHEMBL4251212 | [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][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#Branch1] |
CHEMBL4251213 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][#Branch1][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][O][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][=C][Ring1][#C][=N][C][=C][Ring2][Ring1][=Branch1][Cl][=C][Ring2][Ring1][=C] |
CHEMBL4251217 | [C][C][=Branch1][C][=O][N][N][=C][Branch2][Ring1][#Branch1][N][C][=N][C][=Branch1][C][=O][/C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring1][=N][S][C][Ring2][Ring1][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4251448 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][=C][C][=C][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=C][S][Ring1][=C] |
CHEMBL4251451 | [C][C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][Ring2][Ring1][C][=O] |
CHEMBL4251455 | [N][#C][C][=C][C][Branch2][Ring1][P][C@@H1][Branch1][Branch2][C][N][C][C][C][Ring1][Ring2][N][C][=N][N][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Ring1][=N][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][#Branch2][Cl] |
CHEMBL4251456 | [C][N][Branch1][C][C][C][C][C][C][=N][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][N] |
CHEMBL4277390 | [C][C][N][C][=Branch1][C][=S][N][C][C][C][C][C][=C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][Ring1][Branch2][=C][Ring1][N][Ring1][#C] |
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