chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL540242 | [C][O][C@][Branch1][=Branch2][C][C][C@@H1][Branch1][C][C][C][O][O][C@H1][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch2][Branch1][N][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][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][... |
CHEMBL540696 | [C][C][C][C][C][C@@H1][Branch1][Ring1][C][=O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL540902 | [N][/C][=Branch1][Ring1][=N][\O][C][=C][C][=N+1][Branch2][Ring1][C][C][/C][=C][/C][N+1][=C][C][=C][Branch1][Ring2][/C][=N][\O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1].[Br-1].[Br-1] |
CHEMBL525073 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][S][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][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Bran... |
CHEMBL525624 | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch2][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][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][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1... |
CHEMBL525627 | [C][C][C][C][C][C][C][=C][C][=C][Branch1][P][C][N][C][=C][Branch1][C][Br][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][=C][Ring1][S] |
CHEMBL1208195 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][C][C][C@H1][C@@H1][C][C@H1][Branch2][#Branch1][=C][O][C][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch2][=Branch1][#Branch2][O][C][O][C][C@@H1][Branch2][Ring2][#Branch1][O][C][O][C@H1][Branch1][Ring1][C][O][C@H1][Branc... |
CHEMBL603409 | [C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][O][O][C][P][=Branch1][C][=O][Branch1][C][O][O][=C][Ring1][N][Ring1][S] |
CHEMBL601469 | [N][#C][C][=C][C][=C][C][Branch2][=Branch1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@H1][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][C@H1][Ring1][#Branch2][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=N][C][=... |
CHEMBL557964 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][#Branch1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch2][=Branch1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1]... |
CHEMBL558352 | [C][C][N][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Ring2][Ring1][O] |
CHEMBL557192 | [C][O][C][=C][C][Branch2][Ring2][#Branch1][C][N][C][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][S].[Cl] |
CHEMBL559340 | [C][C][C][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][=N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][O][C][C][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][P][C][C][Ring2][Ring2][C] |
CHEMBL196395 | [O][=C][Branch1][C][O][C][C][=C][C][=C][O][C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][C][Branch1][C][F][=C][Ring2][Ring1][Ring2][=N][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N] |
CHEMBL574221 | [C][C][N][C][N][N][=C][Branch2][Ring1][O][C][C][=C][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][N][Ring1][#C][Ring1][N][S][Ring2][Ring1][Branch1] |
CHEMBL157042 | [C][C][Branch1][C][C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][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][... |
CHEMBL1083541 | [C][C][Branch1][C][C][C@H1][Branch2][#Branch1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][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][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][/C][=C][/C][=Branch... |
CHEMBL583947 | [O][=C][NH1][C][Branch1][S][C][N][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=N][C][=C][Ring1][P][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#Branch2] |
CHEMBL585377 | [C][N][C@@H1][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@H1][Ring1][=C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL584574 | [C][C][N][C][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring1][P] |
CHEMBL553908 | [C][O][C][=C][C][=N][C][=N][C][Branch1][S][N][Branch1][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring1][#C][C][=C][Ring2][Ring1][Ring1][O][C].[Cl] |
CHEMBL554269 | [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][B... |
CHEMBL554551 | [C][O][C][=C][C][=C][Branch2][=Branch1][O][C][=C][Ring1][=Branch1][O][C][C][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring2][P][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=N][N][N][Branch1][C][C][C][=Ring1][=C][N][Branc... |
CHEMBL526743 | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring2][=Branch2][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][C][N][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][=Branch2][C][=Branch1][... |
CHEMBL1163213 | [C][=C][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring1][Ring2][C][C][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C][C@@][Ring1][=N][Ring1][Branch2][C][C@@H1][Ring2][Ring1][C][C][/C][=C][/C][=Branch1][C][=O][O][C][C@H1][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=... |
CHEMBL526871 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][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][Bran... |
CHEMBL526874 | [C][C@H1][Branch2][#Branch2][#Branch1][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][C][C][N][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][#Branch2][C][C][C][N][C][=Branch1]... |
CHEMBL526876 | [C][/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][Branch1][C][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][Branch2][#Branch2][N][C][=Branch1]... |
CHEMBL541676 | [O][=C][C][=C][Branch2][Branch1][=Branch2][C][=C][C][=C][Branch2][Ring2][=N][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P][C][=C][Ring2][Ring2][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Bran... |
CHEMBL541686 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=C][C][N][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][=Branch2... |
CHEMBL542914 | [C][C][N][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][O][C][C][C][C][Ring1][S].[Cl] |
CHEMBL539611 | [Cl].[N][C@@H1][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F] |
CHEMBL524358 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][=Branch1][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][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][N][C][=Branch1][C][=N][N][C][... |
CHEMBL524487 | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch2][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][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][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=B... |
CHEMBL524488 | [C][C@H1][Branch2][Branch1][#Branch2][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][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C@@H1][Branch1][C][C][O]... |
CHEMBL260906 | [O][=C][Branch2][Ring1][P][C][C][C][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring1][S][N][C][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL559342 | [C][N][Branch1][C][C][C][C][O][C][=C][C][=N][C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][Ring1][=Branch1][C][Ring1][O][=O][C][C][Ring2][Ring1][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][O][C][C][N][Branch1][C][C][C] |
CHEMBL575802 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][Branch2][Branch1][=Branch1][C][C][C][C][C][C][C][=C][N][Branch2][Ring2][Branch1][C][C][N][C][=C][C][=Branch1][#C][=N][C][=C][C][Branch1][C][Cl][=C][... |
CHEMBL576306 | [C][C][C@H1][Branch1][C][C][C@@H1][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][N][=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][Br... |
CHEMBL576309 | [C][C][C@H1][Branch1][C][C][C@@H1][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][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Bra... |
CHEMBL576313 | [C][C][Branch1][C][C][S][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][#C][C][#N] |
CHEMBL4115992 | [C][C][C][C][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][C][N][Branch1][=C][C][C][C][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
CHEMBL573919 | [C][C][C][C][N][C][=C][Branch1][C][F][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][=Branch1][N][C][C][C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=C][C][Ring2][Ring1][Ring2][=O] |
CHEMBL584584 | [C][C][C@@H1][C][C@][Ring1][Ring1][Branch2][=Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][C][=N][C][=Branch1][Branch1][=C][S][Ring1][Branch1][C][C][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Bran... |
CHEMBL155979 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][=Branch2][C] |
CHEMBL595330 | [C][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][N][=C][N][=C][Ring1][P][C][Branch1][Ring2][C][C][O][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL594331 | [C][C][C][C][N][C][Branch1][C][C][=C][C][=C][C][=Branch1][C][=O][C][=C][O][C][Branch1][C][C][=C][C][Ring1][#C][=C][Ring1][N][Ring1][#Branch1] |
CHEMBL526879 | [C][C][C@H1][Branch1][C][C][C@H1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=Bra... |
CHEMBL1208039 | [O][=C][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][C][Branch1][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][=C][C][=C][Ring2][Ring1][Ring2][C][Branch1][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O] |
CHEMBL158175 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch2][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring... |
CHEMBL527050 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][N][C@@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][C][=Branch1][C][=O][N][C@H1][B... |
CHEMBL530730 | [C][C][=C][C][Branch2][Ring1][Branch1][N][C][C][C][C][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][N] |
CHEMBL530151 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][N][N][=C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][Branch1][C][Cl][C][Ring1][=N][=O][=C][Ring2][Ring1][Branch1].[O][=C][Branch1][C... |
CHEMBL260909 | [N][N][C][Branch2][Ring1][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4116005 | [C][N][Branch2][Ring1][#Branch1][C][C][/C][=C][/C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][Ring1][#Branch1] |
CHEMBL524494 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][P][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@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][B... |
CHEMBL524498 | [C][O][C][=C][C][=C][C][Branch2][N][Branch1][C][=Branch1][C][=O][O][C@H1][C@H1][C@][Branch1][C][C][Branch2][=Branch1][Branch2][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Branch1][C][C][C@@H1][Branch2][Ring2][C][O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@@H1][Branch1][=C][N][C][=Bran... |
CHEMBL525068 | [C][/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][Branch1][C][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][Branch2][N][N][C][=Branch1][C][=O]... |
CHEMBL525069 | [C][C][C][C][C@H1][Branch2][Branch2][C][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][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O]... |
CHEMBL525403 | [C][S][C][C][C@@H1][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][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][C][S][S][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][... |
CHEMBL525407 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch2][=N][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][Branch2][#Branch1][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch... |
CHEMBL525409 | [C][/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][Branch1][C][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][#Branch2][Ring1][N][C][=Branch1][C... |
CHEMBL525411 | [C][/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][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch2][=Branch2][C][N][C][=Branch1][C][=O][C@H1][Branch... |
CHEMBL527084 | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch2][#Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][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][N][=C][NH1][Ring1][Branch1][N][C][=Bra... |
CHEMBL3348817 | [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][#Branch1][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C@@H1][C][C@H1][Ring1][Ring1][C][C][C][C][C][C][=C][Branch2][Ring1][S][N][=C][C][=C][C][=... |
CHEMBL575155 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@H1][C][C][C@H1][Ring1][=Branch1][C@H1][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring1] |
CHEMBL157117 | [C][N][Branch2][Ring1][=Branch1][C][C][=C][N][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=N][Ring1][N][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][B][Branch1][C][O][O][=C][Ring1][=Bran... |
CHEMBL174668 | [C][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][C][C][N][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][Branch1][... |
CHEMBL4116075 | [C][C][=C][C][=Branch2][Ring1][=Branch2][=C][C][=N+1][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL583071 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL578183 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch2][O][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C... |
CHEMBL582554 | [C][C][=C][C][Branch1][#Branch2][O][C][C][C][C][C][O][Ring1][Branch1][=C][C][=C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][C][C][C][=C][Branch1][#Branch2][O][C][C][C][C][C][O][Ring1][Branch1][C][Ring1][=C][=C][Ring2][Ring1][C][C][=C][C][Ring2][Ring1][=C][=N][Ri... |
CHEMBL582852 | [C][O][C][=C][C][=C][Branch2][Branch1][Branch2][C][=C][N][C][=Branch2][Ring1][Branch2][=C][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][N][C][C][Ring2][Ring1][... |
CHEMBL258525 | [O][=C][Branch2][Ring1][Branch2][C][C][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N][N][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] |
CHEMBL595064 | [C][O][C][=C][C][=C][Branch2][Ring2][=N][C][=N][N][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][C][N][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][C@@H1][C][C][=C][C][C@H1][Ring2][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][S][O][C] |
CHEMBL595080 | [C][O][C][=Branch1][C][=O][C@H1][O][C@@H1][Branch2][#Branch1][=Branch2][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][O][C@H1][Ring1][N][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring2][=C][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C... |
CHEMBL595083 | [C][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C@H1][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][Ring1][=N][O][C][=C][Ring2][Ring1][Ring2][O][C][Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][C][O][C][Branch1][... |
CHEMBL154228 | [C][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] |
CHEMBL1091753 | [C][C][=C][C][=C][C][Branch2][#Branch1][P][/N][=N][/C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Branch1][P][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][O][/N][=N][/C][=C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][... |
CHEMBL563621 | [C][=C][C@][Branch1][C][C][Branch3][Ring1][C][N][C][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][C][C][O][C@@H1][Branch2][S][=N][O][C@][Branch1][C][C][Branch1][Ring1][C][=C][C][C][/C][=C][Branch1][Ring1][\C][O][C][=Branch1][C][=O][O][C@H1][C][C@@][Branch2][=Branch1][#C][C][=Branch1][C][=O][O... |
CHEMBL153086 | [C][C][=C][C][=C][Branch2][Ring1][=N][O][C][Branch1][P][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL541956 | [C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL541963 | [C][O][C][=C][C][=C][C][Branch1][#Branch2][O][C][C][O][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N][C][=Branch1][C][=O][O][C@@H1][Branch1][O][C][N][C][Branch1][C][C][Branch1][C][C][C][C][O][C][=N][S][N][=C][Ring1][Branch1][N][C][C][O][C][C][Ring1][=Branch1].[O][=C][Branch1][C][O][/C][=C][\C][=Branch1][C][=O][O] |
CHEMBL541967 | [C][C][Branch1][C][C][Branch1][C][C][S][C][=C][Branch1][=C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][... |
CHEMBL541969 | [C][O][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][N][C][C][Ring1][=Branch1] |
CHEMBL540050 | [C][C][C][C][N][Branch1][C][C][C][C][C][C@@][Ring1][Ring1][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl] |
CHEMBL525924 | [C][N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][=N][N][=C][Ring1][P][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][Ring1][O] |
CHEMBL530347 | [C][O][C][C@@H1][O][C@@H1][C@H1][Branch3][Ring1][=C][N][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C@H1][Branch1][C][O][C@@H1][Ring1][=C][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch2][Ring1][Ring2][N][C][=N][C][... |
CHEMBL531135 | [O][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][P][Ring1][#Branch1] |
CHEMBL531989 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][N][C][C][N][Branch2][Ring1][#C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][C][C][Ring2][Ring1][Branch2].[Cl] |
CHEMBL528112 | [C][N][C][C][N][Branch2][Ring2][#Branch1][C][C][=C][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][C][S][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][N] |
CHEMBL582854 | [C][C][Branch1][C][C][C][C][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][C][O][=C][Branch1][Ring1][C][=O][C@@H1][Ring1][O][/C][=C][/C][C][=C][O][C][=Ring1][Branch1] |
CHEMBL582906 | [N][C][=Branch1][C][=O][C][C@@H1][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][C]... |
CHEMBL582908 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Branch2][Branch2][C][N][C@@H1][C][S][S][C][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Bran... |
CHEMBL591794 | [C][N][C][=C][Branch2][=Branch1][N][N][C][=Branch1][C][=O][C][=C][C][Branch2][Branch1][O][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][C][C][C][N][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1... |
CHEMBL592148 | [C][C][Branch1][C][C][C][C@H1][Branch2][=Branch2][#Branch2][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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch2][Branch1][C][C][C][C][C][N][C][=Branch1][C... |
CHEMBL592149 | [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][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C]... |
CHEMBL592150 | [C][C][Branch1][C][C][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch3][Ring1][Ring2][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][... |
CHEMBL590853 | [C][O][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring2][Branch1][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][Ring2][Ring1][#Branch2] |
CHEMBL592162 | [C][C][N+1][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][O].[I-1] |
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