chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4292357 | [C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][C@H1][Branch1][C][O][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Branch2][Ring1][#Branch1] |
CHEMBL4292358 | [C][O][C][=C][C][=C][C][Branch2][Ring2][S][C][=N+1][C][=C][Ring1][=Branch1][C][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][C][=Branch1][S][=C][C][=Branch1][#Branch1][=C][Ring1][=Branch1][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch1][O][C][O][Ring1][#Branch2][=C][Ring2][Ring1][#C][O][C].[Br-1] |
CHEMBL4292359 | [C][C][C][C][N][C][=Branch1][C][=S][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][C][Ring1][#Branch1] |
CHEMBL4292360 | [C][O][C][=C][C][=C][C][Branch2][Ring2][S][C][=N+1][C][=C][Ring1][=Branch1][C][=C][Branch1][=N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][S][=C][C][=Branch1][#Branch1][=C][Ring1][=Branch1][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch1][O][C][O][Ring1][#Branch2][=C][Ring2][Ring1][#C][O][C].[Br-1] |
CHEMBL4292361 | [O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][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] |
CHEMBL4292450 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CHEMBL4292451 | [O][=C][Branch1][C][O][C][C][C][C][N][Branch2][Ring1][Branch2][C][/C][=C][/C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1] |
CHEMBL4292452 | [O][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][NH1][Ring1][N] |
CHEMBL4292453 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][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] |
CHEMBL4292454 | [C][C][Branch1][C][C][N][C][=C][Branch2][Ring2][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][P] |
CHEMBL4292532 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch2][Ring2][#Branch1][C][=C][C][Branch1][=N][N][C][C][C][C][Ring1][Branch1][C][O][C][Ring1][#Branch1][=N][C][Branch1][=C][C][=C][N][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=N][Ring2][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch2] |
CHEMBL4292533 | [C][C][C][Branch1][C][C][N][N][=C][N][Branch2][=Branch1][#Branch1][C][=C][C][=C][Branch2][Branch1][O][N][C][C][N][Branch2][Ring2][#C][C][=C][C][=C][Branch2][Ring2][Ring1][O][C][C@@H1][C][O][C@@][Branch1][=Branch2][C][N][N][=C][N][=N][Ring1][Branch1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O][C][C][Ring2][Ring1][P][C][=C][Ring2][Ring2][#Branch1][C][Ring2][Ring2][N][=O] |
CHEMBL4292534 | [C][C][=C][C][=C][Branch2][Branch1][C][N][C][C][N][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][/C][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring2][C] |
CHEMBL4292535 | [C][O][C][C][C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][C][Branch1][O][C][Branch1][C][C][Branch1][C][C][C][O][C][C][Ring2][Ring1][Branch2] |
CHEMBL4292536 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][=N][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch3][Ring1][=Branch2][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch2][=Branch1][#Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][/C][Branch1][C][C][=C][/C][C][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][O][C][Ring1][#Branch2][=O][C][=Branch1][C][=O][O][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][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch2][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch2][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][#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][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][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][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][O] |
CHEMBL4292615 | [C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4292616 | [C][C][C][Branch1][C][C][C][Branch1][C][C][=N][C][=C][C][=C][Branch2][Ring1][P][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][=N][Ring1][N][=N][C][=C][Ring2][Ring1][Ring1][F][C][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][#C] |
CHEMBL4292617 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=C][/C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4292702 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][Branch1][C][C][C][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][C][=C][Ring1][P][O][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][#Branch2] |
CHEMBL4292703 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][/C][=C][/C][=Branch1][C][=O][O] |
CHEMBL4292704 | [C][O][C@H1][C][C@H1][Branch2][Branch1][=Branch1][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@][Branch1][C][C][C@@H1][Branch1][O][C][=C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][C@][Ring1][=N][Branch1][C][O][C@@H1][Ring2][Ring1][C][C][C][C@@H1][Ring2][Ring1][#Branch1][C][Ring2][Ring1][O][O][C@@H1][Branch1][C][C][C@@H1][Ring2][Ring2][Ring1][O] |
CHEMBL4292705 | [F][C][Branch1][C][F][C][C][C][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=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][Ring2][Ring1][P] |
CHEMBL4292706 | [C][O][C][=C][C][Branch1][Branch2][/C][=C][/C][Branch1][C][C][=O][=C][C][=C][Ring1][O][O][C][C][=C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=N][Ring1][N] |
CHEMBL4292781 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C@@H1][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@@H1][Ring1][S][C] |
CHEMBL4292782 | [C][C][S][C][=Branch1][C][=S][N][C][C][/C][=C][/S+1][Branch1][C][C][O-1] |
CHEMBL4292783 | [C][O][C][=C][C][=C][Branch3][Ring1][Ring1][Branch1][C][N][Branch2][=C][P][C][C][=Branch1][C][=O][N][C][Branch2][=C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][#Branch2][#Branch2][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch2][#Branch1][=Branch1][N][C][=Branch1][C][=O][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][O][C][Branch1][C][N][=O][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][N][S] |
CHEMBL4292784 | [C][O][C][C][C][C][C][N][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][S][C][=Ring1][=N][Ring1][P] |
CHEMBL4292785 | [C][C][=C][C][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][C@@H1][C][C][C][N][C][Ring1][=Branch1][=O][C@H1][Branch1][Ring1][C][#N][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][O][Ring2][Ring2][#Branch1] |
CHEMBL4292786 | [C][O][C][=C][C][=C][Branch2][Ring1][O][/C][=C][/S+1][Branch1][C][O-1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1][N] |
CHEMBL4292787 | [C][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][C][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][Branch2][O][C][=Branch1][C][=O][C][Br][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][C][C@][Ring1][=C][Ring2][Ring1][Branch2][C] |
CHEMBL4292859 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][N][=Ring2][Ring1][Ring1] |
CHEMBL4292860 | [Cl][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][N][C][=N][C][Branch1][=C][C][=C][C][NH1][N][=N][C][=Ring1][Branch1][C][=N][Ring1][=Branch2][=C][Ring1][=C][=C][Ring2][Ring1][Branch1] |
CHEMBL4292861 | [O][=C][Branch1][C][O][C][=C][N][=C][Branch2][Branch1][#Branch1][N][C][C][Branch1][C][O][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][C][Branch1][=N][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=N][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][Branch2][Cl][C][Ring2][Ring1][=C][C][Branch1][C][F][=C][Ring2][Ring2][Branch1] |
CHEMBL4292862 | [C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][=N][C][=C][Ring1][P][C][Branch2][Ring1][Ring2][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O][=C][N][Ring1][S][C] |
CHEMBL4292863 | [C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch2][#Branch1][=Branch1][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][=Branch1][C][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][Ring1][O][C][=Branch1][C][=O][O][C][C][=C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][=N][Ring1][N][C][C][C@][Ring2][Ring1][N][Ring2][Ring1][P][C][C][Ring2][Ring2][O][Branch1][C][C][C][O][C@H1][Branch2][Ring1][C][C][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Branch1][S][O] |
CHEMBL4292864 | [N][#C][C][=C][C][=N][C][Branch2][=Branch1][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C@H1][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring2][#Branch2] |
CHEMBL4292865 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][NH1][C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][=N][C][=Ring1][#Branch2][Ring2][Ring1][Ring1] |
CHEMBL4292941 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][#C][N][=C][N][=C][Ring2][Ring1][=Branch1][S][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL4292942 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][NH1][C][Ring1][N][=O][=C][Ring2][Ring1][Branch2] |
CHEMBL4292943 | [O][=C][Branch2][Branch1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][P][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1] |
CHEMBL4292944 | [C][N][C][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N][=O] |
CHEMBL4292945 | [C][/C][=Branch1][=Branch2][=C][/C][=C][C][=C][S][Ring1][Branch1][N+1][=Branch1][C][=O][O-1] |
CHEMBL4293032 | [F][C][=C][C][=C][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring1][S][=C][Ring2][Ring1][Ring2] |
CHEMBL4293033 | [O][=C][N][C][=Branch1][C][=O][/C][=Branch2][Ring2][N][=C][\C][=C][C][=C][Branch2][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][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2][S][Ring2][Ring1][P] |
CHEMBL4293034 | [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] |
CHEMBL4293035 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][=C][C][=N][Se][N][=C][Ring1][Branch1][C][=Ring1][=Branch2] |
CHEMBL4293036 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][O] |
CHEMBL4293037 | [C][O][C][=C][C][=C][Branch1][P][C][S][C][=Branch1][C][=S][N][C][C][/C][=C][/S+1][Branch1][C][C][O-1][C][=C][Ring2][Ring1][C] |
CHEMBL4293124 | [O][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] |
CHEMBL4293125 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][=C][Ring2][Ring1][Branch1] |
CHEMBL4293126 | [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][Ring2][O][C][C][C][=C][Ring2][Ring1][#Branch2][N][Branch1][C][C][C][C][N][Branch1][C][C][C] |
CHEMBL4293127 | [C][N][Branch1][C][C][C][=C][C][=C][Branch1][Branch2][C][C][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][O] |
CHEMBL4293128 | [N][C][=N][C][=C][Branch2][Ring1][=Branch2][C][=C][N][=C][C][Branch1][#C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Ring1][S][C][=C][Ring2][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1] |
CHEMBL4293129 | [C][C][C][S][C][=N][C][Branch1][=Branch2][N][C][C][S][C][C][Ring1][=Branch1][=C][N][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][C][Ring1][=N][=N][Ring2][Ring1][#Branch1] |
CHEMBL4293130 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][=Branch1][C][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][N][Branch2][Ring2][#Branch1][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][N][=N][Ring2][Ring1][=N][=C][C][=C][Ring2][Branch1][=Branch2][Ring2][Ring2][#C] |
CHEMBL4293212 | [C][=C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch2][Ring1][O][/C][=C][/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][=C][Ring2][Ring1][Branch2][C][=C][C][Branch2][Ring1][O][/C][=C][/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][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch2][O][C][C][=C] |
CHEMBL4293213 | [C][O][C][C][N][C@H1][C][C][C@H1][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][Ring2][Ring1][O] |
CHEMBL4293214 | [O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=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][Ring2][Ring1][O][F] |
CHEMBL4293215 | [C][=C][C][=Branch1][C][=O][O][C@@H1][C][C@@][Branch1][C][C][C][C][C@@H1][Branch1][=N][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][=Branch1][C][=C][C@@H1][Ring2][Ring1][C][C][C@H1][Ring2][Ring1][#Branch2][Ring2][Ring1][=Branch1] |
CHEMBL4293295 | [C][C][C][=C][C][=C][Branch2][Ring1][=N][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][=N][C][C][S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][N][=C][Ring2][Ring1][Branch2] |
CHEMBL4293296 | [C][C][=C][C][=Branch1][C][=O][N][C][=Branch1][Ring2][=N][Ring1][#Branch1][N][=C][Branch1][C][N][N][C][Ring1][Branch2][C][=C][C][=C][O][Ring1][Branch1] |
CHEMBL4293297 | [C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Ring2][Ring2][Branch1] |
CHEMBL4293298 | [C][O][C][=N][C][Branch2][Ring2][S][N][C][C@H1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=N][N][C@@][Ring1][=Branch2][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=C][S][Ring1][=N][C][Ring2][Ring1][=Branch2][=N][C][Branch1][C][C][=C][Ring2][Ring1][S][F] |
CHEMBL4293299 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][Ring2][Ring1][Ring1] |
CHEMBL4293300 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=C][/C][N][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Branch1][C][F][=C][Ring2][Ring1][#Branch1].[Cl] |
CHEMBL4293378 | [S][=C][Branch2][Ring1][C][N][/N][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL4293379 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring1][C][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1] |
CHEMBL4293380 | [O][=C][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][Ring2][Ring1][C] |
CHEMBL4293381 | [C][C][=Branch1][C][=O][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][O][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][C][C@][Ring2][Ring1][#Branch1][Ring2][Ring1][N][C][C][Ring2][Ring2][=Branch1][Branch1][C][C][C] |
CHEMBL4293382 | [C][#C][C][=C][C][=C][C][=C][Branch2][Ring2][Branch1][O][C][=Branch1][C][=O][C@H1][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][S][Ring2][Ring1][N] |
CHEMBL4293465 | [C][C][Branch1][C][C][C][C][C][Branch2][Ring2][Ring1][C][=C][C][=C][O][C][=N][C][Branch1][C][N][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring1][#C][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][#Branch2] |
CHEMBL4293466 | [C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C@H1][C][C@@H1][Branch1][C][C][O][C@@H1][Branch2][=Branch1][S][O][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch2][Ring1][#Branch1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][Branch1][Ring1][C][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C@@][Ring2][Ring2][Branch1][Branch1][C][C][O][C][C@@H1][Ring2][Ring2][S][O] |
CHEMBL4293467 | [C][S][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4293468 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][N][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4293469 | [C][O][C][=C][C][=C][Branch1][P][N][C][=N][C][Branch1][#Branch1][C][C][Branch1][C][C][O][=N][S][Ring1][=Branch2][C][=C][Ring1][S] |
CHEMBL4293470 | [C][C@@H1][C][C][C@H1][C@@H1][Branch1][C][C][C@@H1][Branch2][Ring1][=C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][O][C][=C][Ring1][P][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@@H1][Ring2][Ring1][P][C@@][Ring2][Ring1][#C][Ring1][Branch2][O][O][Ring1][Branch2] |
CHEMBL4288416 | [Br-1].[C][=C][C][=C][C][=N+1][Branch2][Ring1][#Branch1][C][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4288417 | [C][C][O][C][=C][C][Branch2][Ring2][C][C][N][C][C][C][Branch2][Ring1][Branch1][C][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][Ring1][N][C][C][Ring2][Ring1][C][=C][C][Branch1][Ring2][O][C][C][=C][Ring2][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4288418 | [C][N][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=N][C][Branch1][Ring1][C][#N][=C][NH1][Ring1][#Branch1][C][Branch1][#C][C][=C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][=C][Ring2][Ring1][Branch2].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4288419 | [O][=C][C][C][C][=C][C][Branch2][Ring1][N][C][C][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][=C][C][=C][Ring2][Ring1][=Branch2][N][Ring2][Ring1][=N][C][C][C][Ring1][=Branch1] |
CHEMBL4288420 | [C][=C][C][=C][Branch2][Ring1][C][C][Branch1][N][O][C][C][C][N][C][C][C][C][Ring1][Branch1][=C][Ring1][#C][C][=C][C][=C][Branch1][S][C][=C][Ring1][=Branch1][O][C][C][C][N][C][C][C][C][Ring1][Branch1][C][C][C][=C][C][=C][Branch1][N][O][C][C][C][N][C][C][C][C][Ring1][Branch1][C][=Branch1][Ring2][=C][Ring1][#C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][Ring2][Branch1][=Branch1] |
CHEMBL4288421 | [Cl].[O][=C][Branch1][P][N][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=N][C][=C][Branch1][#Branch2][O][C][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][Ring1][=N][O][Ring1][S] |
CHEMBL4288499 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch2][Ring1][#Branch1][C][O][C][=C][C][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Branch1][C][F][=C][Ring1][N][C][C][Ring2][Ring1][Branch1] |
CHEMBL4288500 | [C][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][O][C][Branch2][Ring1][#Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][Ring2][Ring1][Branch1] |
CHEMBL4288501 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][NH1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1] |
CHEMBL4288502 | [C][C][=C][C][=C][C][Branch1][P][O][C][C][O][C][C][N][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][O][=C][Ring2][Ring1][Ring2][C] |
CHEMBL4288503 | [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Ring1][=Branch2][=C][\C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] |
CHEMBL4288504 | [C][=C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][/C][=Branch1][Ring1][=C][/C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C@@H1][Branch1][C][C][C][C][C][S][C][C@@H1][Branch3][Ring1][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@H1][Branch2][S][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][=C][N][Branch2][=C][P][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][=N][=Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][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][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][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][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][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][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C][N][=N][Ring2][#Branch2][Branch1][C][S][C@H1][Ring2][N][Branch1][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Ring2][#C][Ring1][=O] |
CHEMBL4288593 | [C][C][C][C][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][Branch1][S][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][O][Ring1][Branch2][C][=C][C][=C][Ring1][#C][O][Ring2][Ring1][Branch1] |
CHEMBL4288594 | [O][=C][Branch2][Ring2][#Branch2][N][/N][=C][/C][=C][C][=C][C][Branch2][Ring1][O][O][C][=N][O][N+1][Branch1][C][O-1][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring1][P] |
CHEMBL4288595 | [C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][Branch1][=C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][=O][N][Ring2][Ring1][P] |
CHEMBL4288596 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4288597 | [C][C][C][/N][=C][\S][/C][=Branch2][Ring1][Ring1][=C][\C][=C][C][=C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][=C][Ring1][O][C][=Branch1][C][=O][N][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
CHEMBL4288680 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][C] |
CHEMBL4288681 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][C][C][N][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#Branch2] |
CHEMBL4288682 | [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@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O] |
CHEMBL4288683 | [O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring1][N] |
CHEMBL4288765 | [C][C][N][C][C][N][Branch2][Ring2][Ring1][C][C][Branch1][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C][S][Ring2][Ring1][=Branch2][=Branch1][C][=O][=O] |
CHEMBL4288766 | [O][=C][C][C][C][=C][C][Branch2][Ring1][P][C][Branch1][C][O][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][=C][Ring2][Ring1][#Branch2][N][Ring2][Ring1][=C][C][C][C][Ring1][=Branch1] |
CHEMBL4288767 | [C][C][C][C][C][C][C][C][C][C][C][C][N+1][Branch1][Branch1][C][C][C][C][C][C][N][Branch2][=Branch1][#C][C][C][=Branch1][C][=O][O][C@H1][C][C][C][C@H1][Branch1][Ring1][C][C][O][C][=Branch1][C][=O][C][C@@H1][C][=Branch2][Ring2][N][=C][C@@H1][C@H1][Ring1][Branch1][C][=C][C@@H1][C][C@@H1][Branch2][Ring1][#Branch1][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][Ring1][O][C][C@H1][Ring1][O][O][C][C][C@@H1][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1][C][=Branch1][C][=O][C@@H1][Ring2][Ring2][Branch2][C][C][C][Ring2][Branch1][#Branch1].[I-1] |
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