chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4277391 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=N][Ring1][N][N][C@@H1][C@@H1][Branch1][C][O][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C@H1][Ring1][#Branch2][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O] |
CHEMBL4277392 | [Cl][C][=C][C][=C][C][Branch2][Branch1][Branch1][N][C][=C][Branch2][Ring2][#Branch2][C][C][C][C][N][C][C][N][Branch2][Ring1][#Branch2][C][=C][C][=Branch1][#C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C][C][C][Ring1][=C][C][C][Ring2][Ring1][Branch1][N][=N][Ring2][Ring1][=C][=C][C][=N][C][Ring2][Ring2][Ring2][=C][Ring2][Ring2][Branch2] |
CHEMBL4277393 | [C][O][C][C][C][Branch1][C][C][N][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=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] |
CHEMBL4277394 | [O][=C][C][=C][Branch2][=Branch1][C][C][=C][C][=C][Branch2][Branch1][=Branch1][O][C][C][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][Ring2][Ring2][#Branch1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring2][Branch1][C][Ring1][#Branch1] |
CHEMBL4277472 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][O][C][=C][C][Branch1][P][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1] |
CHEMBL4277473 | [C][C][C][=N][N][Branch1][C][C][C][Branch2][Ring2][Ring2][C][O][/N][=C][\C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][=N][Cl] |
CHEMBL4277474 | [N][#C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4277475 | [O][C][C][=C][C][=C][Branch2][Ring2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][S][C][=C][C][=Ring1][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][O] |
CHEMBL4277560 | [O][=N+1][Branch1][C][O-1][C][=C][C][Branch2][Ring1][#C][N][C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Ring1][S][=C][C][=C][Ring2][Ring1][#Branch1][C][O] |
CHEMBL4277561 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring2][Branch1][C][N][C][=C][Branch2][Ring1][=Branch2][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][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4277562 | [N][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][Branch2][Ring2][Ring2][C][=N][C][Branch1][N][N][C][C@@H1][C][C@H1][Ring1][Branch1][C][O][Ring1][Branch1][=N][C][Branch1][N][N][C][C@@H1][C][C@H1][Ring1][Branch1][C][O][Ring1][Branch1][=N][Ring2][Ring1][Ring2][C][=N][Ring2][Ring1][=N] |
CHEMBL4277563 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][=N][C][N][Branch1][S][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4277564 | [C][C][C][C@H1][Branch1][C][C][N][C][=N][C][=C][C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][N][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][#C][=C][N][Branch1][N][C@H1][C][C][C@H1][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring2][Ring1][O][=N][Ring2][Ring1][#C] |
CHEMBL4277565 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring2][=Branch1][C][N][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][S][C][N][=N][NH1][C][=Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#C][=C][Ring2][Ring1][Ring2][C][C][C][Ring2][Ring1][N] |
CHEMBL4277566 | [N][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL4277653 | [O][=C][Branch1][C][O][C][#C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4277654 | [O][=S][=Branch1][C][=O][Branch1][Branch1][C][C][C][F][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] |
CHEMBL4277655 | [C][O][C][=C][C][Branch1][=C][/C][=C][/C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][#C][O] |
CHEMBL4277656 | [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][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=N] |
CHEMBL4277732 | [C][O][C][=C][C][=C][C][Branch2][Ring2][=Branch1][N][Branch2][Ring1][#Branch2][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][N] |
CHEMBL4277733 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][S][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][O] |
CHEMBL4277734 | [C][N][Branch2][Ring2][Branch2][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4277735 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][N][N][=Ring2][Ring1][Ring2] |
CHEMBL4276671 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch2][Ring1][Ring2][=C][/C][NH1][N][=C][C][=Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2] |
CHEMBL4276672 | [S][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring1][#C] |
CHEMBL4276673 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][O][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][O][C][C][C][N][C][C][C][C][Ring1][Branch1] |
CHEMBL4276674 | [C][C][C][Branch1][Ring1][C][C][O][C@@H1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][Branch1][=C][C][=C][C][=C][S][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Ring1][#C][C@H1][Ring2][Ring1][#Branch2][N][C][Branch1][C][C][=O] |
CHEMBL4276675 | [C][N][Branch2][Ring1][#Branch2][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4276745 | [C][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][#Branch2] |
CHEMBL4276746 | [C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch2][P][Ring2][O][C@@H1][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C][C@H1][N][C][=Branch1][C][=O][C][Branch2][#Branch1][#C][N][C][=C][Branch2][#Branch1][Ring2][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][P][S][C][C@H1][O][C@@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring1][#Branch1][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring1][S][Ring1][#Branch1][=C][Branch2][Ring1][P][S][C][C@H1][O][C@@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring1][#Branch1][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring1][S][Ring1][#Branch1][C][Ring2][Ring2][#Branch2][=O][N][=N][Ring2][Ring2][P][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C@H1][Branch1][#Branch1][N][C][Ring2][=Branch1][Branch2][=O][C][=Branch1][C][=O][N][C@H1][Ring2][#Branch1][O][C][Branch1][C][O][N][C@H1][C][=Branch1][C][=O][N][C@H1][Ring2][Branch2][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=C][C][Ring2][Ring1][#Branch1][=C][C][=C][Ring1][=Branch1][O][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][#Branch2][=C][O] |
CHEMBL4276747 | [C][O][C][=C][C][Branch2][=Branch1][=Branch2][C@@H1][C][=C][C][=C][Branch2][Branch1][O][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][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][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring2][Ring2][Ring2][O][C][O][Ring2][Ring2][Ring2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][#C][O][C] |
CHEMBL4276748 | [C][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][Ring1][C][C][C][Ring2][Ring1][Ring2] |
CHEMBL4276749 | [C][C][C][C][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4276750 | [O][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][C@@H1][Ring1][=Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring1][N] |
CHEMBL4276828 | [F][C][Branch1][C][F][Branch1][C][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] |
CHEMBL4276829 | [C][C][Branch1][C][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][=N][C][C][C][N][Branch1][C][O][C][=Branch1][C][=N][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][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][Ring2][N][=O] |
CHEMBL4276830 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][N][=C][Branch1][=N][N][C][C][C][N][Branch1][C][C][C][C][Ring1][Branch2][N][=C][Ring2][Ring1][N][C][=C][Ring2][Ring1][S][O][C][C][C][N][Branch1][C][C][C] |
CHEMBL4276831 | [O][=C][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][C][=Branch1][C][=O][C][Ring1][N][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
CHEMBL4276832 | [C][O][C@@H1][O][C@H1][Branch2][Ring2][Ring1][C][N][C][C][C][C][C][C][C][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@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring2][Ring2][Ring2][Ring1][#Branch1] |
CHEMBL4276833 | [C][C@H1][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][C@H1][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][C][=C][N][=C][Ring1][=C][Ring1][=Branch1][C][Ring2][Ring1][=N] |
CHEMBL4276834 | [C][C][#C][C][=C][N][=C][C][Branch2][Ring2][=N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@@][Branch1][#Branch2][C][O][C][Branch1][C][N][=N][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][=C][C][C][O][C][Ring1][=Branch1][=N][C][=C][Ring1][N][O][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#C] |
CHEMBL4276919 | [O][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][N][C][C][Ring1][=N] |
CHEMBL4276920 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][C] |
CHEMBL4276921 | [C][N][Branch1][C][C][C][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][O].[Cl].[Cl] |
CHEMBL4276922 | [C][C][=C][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][C][Branch1][C][C][=C][Ring1][P][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N] |
CHEMBL4277001 | [C][O][C@@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][Ring1][O][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Branch1][=Branch2][C][C][N][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][Ring1][C][O][C][Ring2][Ring1][=N][Branch1][C][C][C] |
CHEMBL4277002 | [C][C][C][Branch1][Ring1][C][C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][O][C][/C][=Branch1][Ring1][=N][\O][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][Ring1][N][NH1][Ring2][Ring1][Branch1] |
CHEMBL4277003 | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4277004 | [N][#C][C][=C][C][=C][Branch2][Branch1][Ring2][/C][=C][/C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][N][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring2][#Branch1] |
CHEMBL4277005 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Branch2][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=N][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][N][Ring2][Ring1][Branch1][Ring1][O][C][C][Ring2][Ring1][N] |
CHEMBL4277006 | [C][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch2][Ring2][=Branch1][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][Ring1][P][C][=C][Ring2][Ring1][P][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4277084 | [C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][Ring2][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4277085 | [C][N][N][=N][N][=C][Ring1][Branch1][C][N][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][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] |
CHEMBL4277086 | [C][O][C][=C][C][Branch2][Ring2][P][C][=N][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][O][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][Ring1][N][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][Ring2][Ring2][O][C] |
CHEMBL4277087 | [F][C][Branch1][C][F][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][Ring1][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][O][C][Ring2][Ring2][C] |
CHEMBL4277167 | [N][#C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4277168 | [C][C][=Branch1][C][=O][O][C][C@][Branch1][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@@][Branch1][C][C][C@H1][Ring1][S][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][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@][Ring2][Ring1][=Branch1][Ring2][Ring1][O][C] |
CHEMBL4277169 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][#C] |
CHEMBL4277170 | [C][/C][=C][Branch1][C][/C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][N][O][C][=Branch1][C][=O][/C][Branch1][C][C][=C][\C][C@@][Branch1][Ring1][C][O][C@@H1][Branch1][=Branch2][C][C][Ring1][#C][Branch1][C][C][C][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][=N][O][C@@H1][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][Branch1][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][Ring2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@H1][Ring2][Ring1][C][O][C@H1][Ring2][Ring1][=C][O][C@@][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Ring2][Ring2][#Branch2][C][C][C@@][Ring2][Ring2][=C][Branch1][C][C][C@][Ring2][Branch1][Ring1][Branch1][C][C][C@@H1][Branch1][N][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C@H1][Ring2][=Branch1][Branch1][O] |
CHEMBL4277171 | [C][C][=Branch1][#Branch2][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/S][C][=Branch1][C][=O][N][Branch2][Ring1][O][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4277172 | [C][O][C][=C][C][Branch2][=Branch1][=Branch2][C@@H1][C][=C][C][=C][Branch2][Branch1][O][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring2][Ring2][Ring2][O][C][O][Ring2][Ring2][Ring2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][#C][O][C] |
CHEMBL4277255 | [N][C][=N][C@@][Branch1][Branch1][C][O][Ring1][Branch1][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1][=C][C][=C][Ring1][=N][O][C][=C][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][Branch2] |
CHEMBL4277256 | [C][N][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=N][Ring1][O][=C][Ring1][S][C][=C][C][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][Branch2] |
CHEMBL4277257 | [C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][Ring1][N] |
CHEMBL4277258 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=C][/C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][C][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4277259 | [C][#C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][C][S][C@@H1][Branch1][C][C][C@H1][Branch2][#Branch1][Ring2][N][C][=Branch1][C][=O][C@@H1][C][S][C][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][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring2][Ring2][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Ring2][=Branch1][Ring1] |
CHEMBL4277260 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C][N][Branch1][C][C][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][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][N][Branch1][C][C][C][Ring2][Branch1][#Branch1][=O] |
CHEMBL4237252 | [O][=C][Branch1][C][O][C@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL4237255 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][S][Ring1][=C][=C][Ring2][Ring1][Branch2] |
CHEMBL4237256 | [C][C][Branch1][C][C][N][C][=N][C][Branch2][Ring2][Branch2][N][N][C][=Branch1][C][=O][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][Cl][=N][Ring2][Ring1][Ring2][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring2][Ring2][C] |
CHEMBL4237257 | [C][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][O][C][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1] |
CHEMBL4237270 | [C][C][C][C][N][C][=C][C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch1][S][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][Branch1][C][C][=C][Ring2][Ring1][Ring1][=C][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL4237494 | [C][C][C][=C][C][=Branch1][#C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][O][Ring1][#Branch1][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring1][C][C][O][C][=Branch1][C][=O][C@@][Ring1][O][Branch1][Ring1][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][=Branch1][C][=O][N][O] |
CHEMBL4237497 | [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][C][C][C][Ring1][Ring2][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][#Branch1] |
CHEMBL4237498 | [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][C][O][C][Ring1][Ring2][=C][Ring1][O] |
CHEMBL4237501 | [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][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][O][C][Ring2][Ring1][=Branch2][Branch1][C][C][C] |
CHEMBL4237503 | [O][=C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Ring2][N][C][C][N][Branch2][Ring2][Ring2][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4237512 | [N][C][C][C][C][C@H1][Branch2][Branch2][=N][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][C][C][N][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][C][C][N][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][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][N][=O] |
CHEMBL4237752 | [O][=C][Branch2][Ring1][Ring1][N][C][C][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][Cl][=N][Ring2][Ring1][Ring2] |
CHEMBL4237757 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][S][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][N][/C][=C][Branch1][Ring1][\C][#N][C][=Branch1][C][=O][O][S][Ring1][N][=C][C][=Ring1][P][N][Ring2][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][P] |
CHEMBL4237768 | [C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4237771 | [C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][N][=C][Ring1][=C][C][=C][Ring2][Ring1][C][O][C][C][C][Cl] |
CHEMBL4238084 | [C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch2][Ring2][Branch1][O][C][C@@H1][Branch1][C][O][C][N][C][C][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][=C][Ring2][Ring1][=C] |
CHEMBL4238085 | [C][=C][C][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][#C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][O][Ring1][P] |
CHEMBL4238086 | [O][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][N][Branch2][Ring2][Ring2][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4238087 | [N][#C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][N][C][N][C][C][C][C][N][C][C][Ring1][=Branch1][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4238089 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][P][C][=C][C][=C][Branch1][C][Cl][C][NH1][C][=C][C][Ring1][#Branch2][=Ring1][Branch1][C][C][Ring1][S] |
CHEMBL4238344 | [C][O][C][=C][Branch1][P][N][C][C@H1][C][C][O][C][C@@][Ring1][=Branch1][Branch1][C][N][C][Ring1][#Branch2][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][#Branch1][C@@H1][C][C@@H1][Ring1][Ring1][F][C][Ring2][Ring1][=N][=Ring1][=C] |
CHEMBL4238346 | [O][=C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][Branch1][#Branch2][C][C][=C][C][C][C][C][Ring1][Branch1][C][Branch1][C][O][=C][Ring1][#C][Ring2][Ring1][#Branch2] |
CHEMBL4238349 | [O][=C][Branch1][Branch1][N][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] |
CHEMBL4238353 | [O][=C][Branch2][Branch1][C][C][C][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring1][S][=O][N][O] |
CHEMBL4238355 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][N][C][C][C][N][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4238594 | [Br][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][C][=C][C][=C][Ring2][Ring1][N][Ring1][=Branch1] |
CHEMBL4238596 | [Cl][C][=C][C][=C][Branch2][Ring1][#Branch1][S][C][C][=N][N-1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][Ring2].[K+1] |
CHEMBL4238597 | [C][O][C][=C][C][=C][Branch2][Ring2][=C][/C][=C][/C][=C][C][Branch1][S][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][Ring1][C][O][C][O][=C][C][Branch1][S][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][Ring1][C][O][C][O][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][S] |
CHEMBL4238598 | [N][#C][C][C][=Branch1][C][=O][N][Branch1][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4238885 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Branch1] |
CHEMBL4238886 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][C][C][C][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] |
CHEMBL4238895 | [C][S][C][C][=C][N][C][=C][Branch2][Ring1][=Branch1][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][=C][Ring1][=N][C][=Ring1][P][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4238896 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][C][O][=C][Branch1][Branch2][O][C][C][C][C][C][O][C][Branch1][C][O][=C][Ring2][Ring1][=Branch2][Ring1][#C] |
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