chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4279297 | [C][C][=C][C][=C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][#C][/C][=C][/C][=Branch1][C][=O][O][C][C][N][Branch1][C][C][C][=C][C][=C][Ring1][S][O][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=C][C] |
CHEMBL4279298 | [C][=C][Branch1][C][C][C@@H1][C][C][=C][Branch2][Branch1][Branch1][C][N][C][=C][Branch2][Ring2][=Branch2][C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=C][Ring2][Ring1][Ring2][N][=N][Ring2][Ring1][O][C][C][Ring2][Ring2][C] |
CHEMBL4279299 | [C][C][Branch1][C][C][=C][C][C][=C][Branch2][Ring1][Ring2][O][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][=O] |
CHEMBL4279300 | [C][C@@H1][C][C][C@][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C@][Branch1][C][C][C][=Branch2][Ring2][Branch1][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C@][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Ring1][O][C][C][C@][Ring1][#C][Ring2][Ring1][Branch1][C][C@@H1][Ring2][Ring2][#Branch2][C@][Ring2][Ring2][=C][Branch1][C][C][O] |
CHEMBL4279301 | [C][C][C][C][C][C][C][C][C][/C][=Branch1][Ring1][=N][\O][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][=N][O] |
CHEMBL4279302 | [C][=C][S][C][Branch2][Ring1][Branch2][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] |
CHEMBL4279388 | [C][N][C][=C][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][C][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][#N][=C][C][=N][Ring1][Branch2][=N][C][=C][Ring1][P][Ring2][Ring1][P] |
CHEMBL4279389 | [C][O][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][O][C] |
CHEMBL4279390 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4279391 | [C][C@H1][Branch2][Ring2][O][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch2][Ring1][#Branch1][C][N][C][=N][C][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][=C][=O][C][C][Ring2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4279474 | [C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][=Branch2] |
CHEMBL4279475 | [O][=C][Branch1][=N][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CHEMBL4279476 | [C][O][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4279477 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][O][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][N][Ring2][Ring1][=Branch1][Ring1][N][C][C][Ring2][Ring1][=N] |
CHEMBL4279478 | [C][C][C][N][C][=C][C][=N][C][Branch1][C][C][=N][C][Branch1][P][N][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring1][P][Ring2][Ring1][Ring2].[Cl] |
CHEMBL4279558 | [O][=C][Branch1][#C][N][C@@H1][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C][Branch1][C][F][Branch1][C][F][C][C][C@@H1][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4279559 | [O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O] |
CHEMBL4279560 | [O][=C][C][=C][Branch2][#Branch1][=N][C][=C][C][=C][Branch2][=Branch1][P][O][C][C][O][C][C][O][C][C][N][C][=C][Branch2][Branch1][=N][C][=C][C][=C][Branch2][Ring2][P][C][=C][N][Branch2][Ring2][=Branch1][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][N][=N][Ring2][Ring1][#C][C][=C][Ring2][Ring2][Branch1][N][=N][Ring2][Ring2][#Branch2][C][=C][Ring2][Branch1][=Branch2][O][C][=C][C][=C][C][=C][Ring2][=Branch1][Ring1][Ring1][=Branch1] |
CHEMBL4279561 | [C][=C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][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][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][C@][Ring2][Ring1][N][Ring2][Ring1][P][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][=N][=O] |
CHEMBL4279562 | [C][C@@H1][C@H1][C][=C][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][Branch1][C][C][C@][Ring2][Ring1][Ring1][Branch1][C][C][C][C][C@@][Ring2][Ring1][Branch2][Branch2][#Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][N][C][=C][Branch2][=Branch1][Ring1][C][O][C][=Branch1][C][=O][C@][C][C][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C@@H1][Ring1][Branch2][C][=C][C][C@H1][C@][Branch1][C][C][Branch2][Ring1][Branch2][C][C][C@H1][C@@][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C][C][C@@][Ring1][#Branch2][Ring1][#C][C][C@][Ring2][Ring1][Ring2][Branch1][C][C][C][C][Ring2][Ring1][#C][C][=N][Ring2][Ring2][Branch2][C][C][C@H1][Ring2][=Branch1][#Branch2][C] |
CHEMBL4279563 | [C][C][N][Branch1][Ring1][C][C][C][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][S][C][Ring1][N] |
CHEMBL4279564 | [C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][Ring2][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][F][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][Ring2][Ring1][C][C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][=C] |
CHEMBL4279565 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4279566 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][#Branch2][S][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=C][C][=C][Branch1][#Branch2][S][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] |
CHEMBL4279567 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][P][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=N] |
CHEMBL4279651 | [C][O][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=N][/N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4279652 | [C][C][C][C][C][C][C][O][C@H1][C@H1][Branch1][C][N][C][C@H1][Branch1][C][N][C@@H1][Branch2][Branch1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][N][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][S][O][C][C][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=C][C][Ring1][=N][=C][Ring1][O][Ring1][#Branch1][C@H1][Ring2][Ring1][=C][N][C@@H1][Ring2][Ring2][Branch2][O] |
CHEMBL4279653 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][C][=C][C][=C][C][Branch1][N][O][C][C][C][Branch1][C][C][Branch1][C][F][F][=C][Ring1][=N].[Cl] |
CHEMBL4279654 | [C][C][N][Branch1][Ring1][C][C][C][C@H1][O][C@@H1][Ring1][Ring1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2].[Cl] |
CHEMBL4279655 | [O][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][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][C][Ring2][Ring1][C] |
CHEMBL4279657 | [O][=C][Branch2][Branch1][P][C][C][C][C][C][C][N][C][=C][Branch2][Ring2][S][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][N][C][=N][O][N][=C][Ring1][Branch1][/C][=Branch1][Ring1][=N][/O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Br][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=N][N][=N][Ring2][Ring2][C][N][O] |
CHEMBL4279658 | [C][C][N][Branch1][C][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][O] |
CHEMBL4279659 | [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][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][O][C][Ring1][Branch1][=O] |
CHEMBL4279747 | [C][N][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][=Ring2][Ring1][=Branch1][C][Branch1][C][N][=O] |
CHEMBL4279748 | [C][C][Branch1][C][C][C][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@@H1][C@@H1][C][C@H1][Branch1][C][O][C@][Branch1][C][O][C][=Branch1][C][=O][C][C][C][C@][Ring1][Branch2][Branch1][C][C][C@H1][Ring1][=C][C][C][C@@][Ring2][Ring1][C][Ring2][Ring1][Branch1][C] |
CHEMBL4279749 | [C][O][C][=C][C][=C][Branch2][=Branch1][N][C][N][C][C][N][Branch2][Branch1][#C][C][=Branch1][C][=O][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch2][C][C@@H1][O][C@][Branch1][O][C][C][C@H1][Branch1][C][C][C][O][Ring1][#Branch1][C@@H1][Branch1][C][C][C@@H1][Ring1][N][Ring1][S][C@@H1][Ring2][Ring1][Ring2][C][C][C@@H1][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=N][C][C][Ring2][Ring2][=Branch1][C][=C][Ring2][Ring2][=N] |
CHEMBL4279750 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][C][=O][C][Branch2][Ring1][=C][O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][=Branch1][C][=O][/C][=C][/C][S][C][=N][C][=Ring1][Branch1][C][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][O][C][Ring2][Ring2][#Branch2][=C][Ring2][Ring2][S] |
CHEMBL4279751 | [C][=C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@H1][C@@][Branch1][Ring1][C][O][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C@][Ring1][S][Ring1][O][C] |
CHEMBL4279752 | [C][C][C][C][O][C][C][O][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][#Branch1][C@H1][C][C][C@][Branch1][C][N][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][Ring1][N][C][=C][Ring2][Ring1][C][C][C][Ring2][Ring1][#Branch1] |
CHEMBL4279848 | [C][O][C][C][N][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][O][C][C][=C][C][=C][C][Branch1][Ring1][C][=O][=N][Ring1][Branch2][=N][C][=C][Ring2][Ring1][=Branch1][C][#N] |
CHEMBL4279849 | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][Branch1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][O] |
CHEMBL4279850 | [C][C@][C][C@@][C][=C][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][O][C@@H1][Ring2][Ring1][Branch2][C@H1][Branch1][#Branch2][C][C@H1][Ring2][Ring1][=N][C][Ring2][Ring1][N][O][Ring2][Ring1][#C] |
CHEMBL4279851 | [C][C][=C][C][=C][O][C][Branch2][=Branch1][=Branch1][C][=C][C][=C][Branch2][Branch1][#Branch2][O][C][C][C][C][C][=C][N][Branch2][Ring2][#Branch2][C][C][O][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][N][=N][Ring2][Ring1][S][C][=C][Ring2][Ring2][O][=C][C][=Branch1][C][=O][C][Ring2][Branch1][C][=C][Ring2][Branch1][=Branch1] |
CHEMBL4279852 | [C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch2][Ring1][#Branch1][O][C][=C][C][=C][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring1][=N][=C][C][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][#Branch1] |
CHEMBL4279853 | [C][C][N][Branch2][Ring2][Ring1][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][P][/C][=C][\C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4279932 | [Cl].[N][C][=N][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][C][=C][Ring2][Ring1][C][N][Ring2][Ring1][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4279933 | [N][C][S][C][=C][Branch1][S][/C][=Branch1][Ring1][=N][/O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4279934 | [C][C@H1][Branch1][Ring1][C][O][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] |
CHEMBL4279935 | [C][C][=C][C][=C][C][Branch2][Ring1][S][C][=N][N][C][=Branch1][N][=C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#C][=N][Ring2][Ring1][#Branch1] |
CHEMBL4280011 | [O][=C][Branch2][Ring1][=C][N][C][=C][N][=C][C][Branch2][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring1][P][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4280012 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O] |
CHEMBL4280013 | [C][C@][C][C@@][C][=C][C@@H1][Branch1][C][O][C@@][Branch1][C][C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][O][C@@H1][Ring2][Ring1][Branch2][C@H1][Branch1][#Branch2][C][C@@H1][Ring2][Ring1][=N][C][Ring2][Ring1][N][O][Ring2][Ring1][#C] |
CHEMBL4280014 | [O][C][=C][N][=C][C][Branch2][Ring1][Ring1][C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][=C][Ring2][Ring1][C] |
CHEMBL4280015 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][NH1][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Ring1][N][=C][Ring1][S][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4280016 | [C][C@@H1][C][C][C][C][C][/C][=C][/C@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][/C][=C][\C][=C][\C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][/C][=C][/C][=C][\C][=Branch1][C][=O][O][Ring2][Ring2][#Branch1] |
CHEMBL4280091 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][C][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][C][=N][Ring2][Ring1][Branch2] |
CHEMBL4280092 | [C][=C][C][C][=C][C][=C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch2][Ring2][Branch1][C][=C][C][Branch1][#Branch1][C][Branch1][C][O][C][=C][=C][C][=C][Ring1][#Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][=C][Ring2][Ring1][P] |
CHEMBL4280093 | [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][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2] |
CHEMBL4280094 | [N][#C][C][=C][C][=C][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][C][N][S][C][Ring1][#C][=C][Ring2][Ring1][Ring1] |
CHEMBL4280095 | [C][C][C][C][C][O][C][=C][C][=C][C][Branch1][=C][C][C][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][#C].[Cl] |
CHEMBL4280096 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][=Branch1][Branch2][N][C][=C][Branch2][Branch1][=N][C][=Branch1][C][=O][N][C@H1][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C@H1][C][=Branch1][C][=O][O][C][C@H1][Ring2][Ring1][#Branch2][Ring1][=Branch1][O][C][O][Ring2][Ring1][#Branch2][N][=N][Ring2][Ring2][Branch1][=C][Ring2][Ring2][=N] |
CHEMBL4280175 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][=N] |
CHEMBL4280176 | [C][C][C][C][C][C][C][C][S][C][=C][Branch1][#Branch2][S][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][Branch2][=N][O][C][C][=C][N][Branch2][N][#C][C][C][=Branch1][C][=O][N][C@@H1][C][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@@H1][Branch2][Ring1][#Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][C][Branch1][C][C][=O][C@H1][N][C][=Branch1][C][=O][C@H1][Branch2][Branch1][C][N][C][Branch1][C][O][C@@H1][Ring2][Ring2][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][N][C][Ring2][Branch1][Branch2][=O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][Ring2][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][Ring2][Branch1][Ring2][=O][N][=N][Ring2][Branch2][#Branch1][C][Ring2][=Branch2][#Branch1][=O] |
CHEMBL4280177 | [C][C][C][C][C][C][C@H1][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring2][N][C][=O][=C][Ring1][=Branch2][O][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C@@H1][Ring2][Ring1][#Branch2][O][C][=Branch1][C][=O][C][C][C] |
CHEMBL4280178 | [C][=C][O][C][Branch2][Ring1][S][C][=N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][=C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][#Branch2] |
CHEMBL4280179 | [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] |
CHEMBL4280180 | [C][=C][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][C][=N][C][NH1][C][=C][Branch1][Branch1][C][C][O][C][C][Ring1][=N][=Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch1] |
CHEMBL4280181 | [C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch2][Ring1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][N][Ring2][Ring2][Ring1] |
CHEMBL4280265 | [O][=C][C][=C][N][=C][C][=C][C][Branch2][Ring2][Ring2][C][=C][N][=C][Branch1][C][Cl][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][Ring1][=C][N][Ring2][Ring1][=N][Ring2][Ring1][=Branch2] |
CHEMBL4280266 | [C][C][O][C][C][C][C][C][N][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][=C][S][C][=Ring2][Ring1][Ring2][Ring2][Ring1][Branch2] |
CHEMBL4280267 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4280268 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][S][C][=Branch1][C][=O][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][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4280269 | [C][C][C@H1][Branch1][C][C][C@@H1][Branch2][Branch1][O][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][C][C][/C][=C][/C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C@@H1][Ring1][Branch2][C][N][Branch1][C][C][C] |
CHEMBL4280270 | [O][=C][C][=C][C][=C][C][=C][Branch1][P][O][C][C][C][C][C][C][C][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][Branch2] |
CHEMBL4280359 | [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][C][Branch1][C][F][=C][Ring1][#Branch1][O][Ring1][N][N][=Ring2][Ring1][Ring2] |
CHEMBL4280360 | [Cl][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4280361 | [C][O][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][NH1][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][Ring1][=C][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL4280362 | [C][C][Branch1][C][C][C@@H1][Branch2][Ring2][=C][O][C@H1][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][O][O][C@@H1][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][O][O][C][C][C@@][Branch1][C][C][C@H1][Ring2][Ring1][P][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C@H1][C][C@@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Ring1][#Branch2][Branch1][C][C][C][C][C@][Ring1][#C][Ring2][Ring1][Branch1][C] |
CHEMBL4280363 | [C][C][C@H1][Branch1][C][C][/C][=C][Branch1][C][C][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][C@][Branch1][C][C][O][C][=Branch1][C][=O][/C][=Branch1][=Branch1][=C][Branch1][C][\C][O][C@][Ring1][#Branch2][Branch1][C][O][C@@][Ring1][P][O][C@H1][Ring1][Ring1][O][Ring2][Ring1][=Branch1] |
CHEMBL4280438 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1] |
CHEMBL4280439 | [C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch1][=C][C][N][C][=C][Branch1][Ring2][C][C][C][N][=N][Ring1][Branch2][=C][\C][C][C@@][Branch1][C][C][O][C@@H1][Ring2][Ring1][Branch1][Ring1][Ring2] |
CHEMBL4280440 | [C][N][C][=N][C][Branch1][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][=C][Ring1][=C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][O][C][C][C][C][Ring1][Ring1] |
CHEMBL4280441 | [C][C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl] |
CHEMBL4280442 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4280523 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][S][C][C][Ring1][Ring1] |
CHEMBL4280524 | [C][#C][C][N][C][C][N][Branch1][Ring2][C][C][#C][C][C][Ring1][=Branch2] |
CHEMBL4280525 | [C][O][C][=C][C][=C][Branch2][Branch1][C][C][=Branch1][C][=O][C][=C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][N][C][=C][Ring2][Ring1][#C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring2][#Branch1] |
CHEMBL4280526 | [C][C][C][C][C][/C][=C][/C][=C][\C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][C][C][C@@][Branch1][C][O][C@@H1][Branch2][Ring1][#Branch1][C][=C][Branch1][Ring1][C][O][C][C@@H1][C][=Branch1][C][=O][C][Branch1][C][C][=C][C@H1][Ring1][#Branch1][Ring1][#C][C@@H1][C][Branch1][C][C][Branch1][C][C][C@][Ring2][Ring1][#Branch1][Ring1][Branch1][O][C][=Branch1][C][=O][C][Branch1][C][C][C] |
CHEMBL4280527 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][S][Ring1][#Branch1] |
CHEMBL4280528 | [C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch2][Ring1][#Branch2][C][N][C][=C][Branch1][S][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][S][=C][\C][C][C@@][Branch1][C][C][O][C@@H1][Ring2][Ring1][=N][Ring1][Ring2] |
CHEMBL4280529 | [C][O][C][=C][C][Branch2][Branch1][O][C@@H1][C][=C][C][=C][Branch2][Ring2][=N][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=N][Ring1][O][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring2][Ring1][=N][O][C][O][Ring2][Ring1][=N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Branch2][O][C] |
CHEMBL4280530 | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][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][Ring2][Ring1][Branch2] |
CHEMBL4280531 | [C][C][O][C][=C][C][Branch2][Ring2][Ring2][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][P][=C][C][Branch1][Ring2][O][C][C][=C][Ring2][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4280532 | [C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][C][Branch1][C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][C][C][C][C][N][Branch1][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#C][O][Ring2][Ring2][Ring1] |
CHEMBL4280613 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=N][C][Branch1][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][=C][Ring1][=C] |
CHEMBL4280614 | [C][O][C][=N][C][=C][Branch2][Ring1][C][C][C][=C][C][=N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=Ring1][O][C][=C][Ring1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4280615 | [C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][Ring2][C@@H1][S][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][Ring2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2] |
CHEMBL4280616 | [O][=C][C][=C][Branch2][Ring1][#C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][S][NH1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2][O] |
CHEMBL4280695 | [C][N][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][C][=N][C][NH1][C][=C][C][Ring1][=C][=Ring1][Branch1][C][=C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][#Branch2] |
CHEMBL4280696 | [C][C][Branch1][C][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
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