chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4243015 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] |
CHEMBL4243016 | [C][C][C][C][N][Branch2][Ring2][O][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring2][Ring1][=C] |
CHEMBL4243017 | [C][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring2][Ring1][O][Ring2][Ring1][=C] |
CHEMBL4243296 | [C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][C][Si][Branch1][=C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4243297 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][#Branch1] |
CHEMBL4243299 | [C][C][=C][Branch2][Ring1][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=Ring1][=Branch2][C][=C][C][=C][Ring2][Ring1][=Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] |
CHEMBL4243303 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][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][C][Ring1][P][O][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][S][C][Branch1][C][N][=O] |
CHEMBL4243305 | [C][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][/N][=C][\C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4243306 | [N][#C][C][=C][Branch2][Ring2][=Branch2][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][C][=C][C][N][=C][Branch2][=Branch1][N][N][C][=Branch1][C][=O][C][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch2][Ring2][=Branch2][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][C][Branch1][Ring1][C][#N][=C][Ring2][Ring1][=C][S][Ring2][Ring1][P][S][C][Ring2][=Branch1][=Branch2][=Ring2][Ring2][#C] |
CHEMBL4243580 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
CHEMBL4243581 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][=N][N][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][O][C][C][C][Cl] |
CHEMBL4243587 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=C][Branch1][#C][/C][=N][/N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4243589 | [C][C][=C][C][=C][Branch2][Branch1][=C][C][=C][C][Branch2][Ring2][Branch2][C][O][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring2][Ring1][C][=N][N][Ring2][Ring1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring2][#Branch2] |
CHEMBL4243592 | [C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][Ring1][P][=C][N][=C][Ring2][Ring1][#Branch2][O][C] |
CHEMBL4243594 | [O][=C][N][/C][=Branch2][Ring1][S][=N][\C][=N][N][=C][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][S][Ring1][#C][S][/C][Ring2][Ring1][Branch1][=C][/C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4243862 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][C][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
CHEMBL4243863 | [C][O][C@H1][C][C@H1][Branch2][Ring2][=N][O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][C][F][=C][Branch1][#Branch2][S][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][F][=C][Ring1][#C][=C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][N] |
CHEMBL4243865 | [C][=C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=N][Ring2][Ring1][#Branch1][C][Ring2][Ring1][=N] |
CHEMBL4243866 | [C][C][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] |
CHEMBL4244130 | [C][O][C][=C][Branch1][N][O][C][C][C][N][Branch1][C][C][C][C][O][C][Branch1][C][O][=C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][C][Ring2][Ring1][O][=Ring1][=N] |
CHEMBL4244131 | [C][C][Branch1][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring2][=Branch2][O][C][C][=C][C][=C][C][Branch2][Ring1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=C].[Cl] |
CHEMBL4244132 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][#C][=O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C] |
CHEMBL4244134 | [C][C][=C][N][=C][C][Branch2][Branch1][C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C@@H1][C][C][N][C][C@H1][Ring1][=Branch1][O][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][NH1][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][Ring2][Ring1][=N][=Ring1][Branch2][=C][Ring2][Ring2][Ring1] |
CHEMBL4244138 | [C][O][C][=N][C][=C][Branch2][Ring1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][=C][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][C][O][Ring1][S][C][=C][Ring2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
CHEMBL4244140 | [C][C][=C][Branch1][C][N][N][=C][Branch2][Ring1][Branch1][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][C@H1][Branch1][C][N][C][Branch1][C][N][=O][N][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch2][Ring1][=Branch1][C][=N][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=N][N][=C][S][Ring1][=N][=C][S][Ring2][Ring1][C][C@@H1][Branch1][C][C][O][C@@H1][Branch2][Ring2][=N][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@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch1][O][C][Branch1][C][N][=O][C@@H1][Ring1][=N][O][C][=C][NH1][C][=N][Ring1][Branch1] |
CHEMBL4244141 | [C][S][C][S][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][C][=Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][=O][=C][Ring1][Branch2][=C][Ring1][=C] |
CHEMBL4244412 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][N][=C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=C][Ring1][P] |
CHEMBL4244413 | [C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Cl][C][C][Ring2][Ring1][P] |
CHEMBL4244416 | [C][C][C@][Branch1][C][O][C][C@@H1][C][N][Branch2][Branch2][C][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][Branch2][Branch1][P][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][N][Branch1][C][C][C@H1][C@@][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][Branch1][Ring1][C][C][C][C@@H1][Branch1][C][O][C][N][C][C][C@][Ring2][Ring1][#C][Ring2][Ring1][#Branch1][C@@H1][Ring1][Branch1][Ring1][N][C][Ring2][Branch1][=Branch1][C][Ring2][Branch1][#Branch2] |
CHEMBL4244417 | [C][=C][Branch1][C][C][C@@H1][C][=Branch1][C][=O][C][C@][Branch1][C][C][C@H1][Branch2][Ring2][Branch1][C][C@@H1][Branch1][C][O][C@@H1][C@@H1][Branch2][Ring1][C][C@@][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring2][C][C@@][Ring2][Ring1][#Branch2][Branch1][C][C][C][C][C][=Branch1][C][=O][O][C] |
CHEMBL4244419 | [C][O][C][=C][C][=C][N][=C][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=C][Branch2][Ring2][C][N][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=C][N][Branch1][N][C][C][C][C][C][C][=Branch1][C][=O][N][O][N][=N][Ring1][=C][=C][Ring2][Ring1][Ring2][C][Ring2][Ring1][S][=C][Ring2][Ring2][Ring2] |
CHEMBL4244422 | [C][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C@][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][=Branch2][C][Ring1][=C] |
CHEMBL4244423 | [O][=S][=Branch1][C][=O][Branch1][#C][N][C][=C][C][=C][S][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4244424 | [C][C][Branch1][C][C][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][B][Branch1][C][O][O] |
CHEMBL4244722 | [C][C][Branch1][C][C][C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][C][C][C][N][C][C][C][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL4244723 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][O][C][=C][C][=Branch2][Ring1][=Branch1][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][Branch2][C@@][Ring1][O][Branch1][C][C][C][Ring1][P][=O][O][/C][=Branch1][#Branch2][=C][\C][C][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] |
CHEMBL4244738 | [C][N][C][=C][Branch2][Ring2][=C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring2][C][=N][Ring2][Ring1][#C] |
CHEMBL4244744 | [N][C][=Branch1][C][=O][C][N][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=Ring1][#C][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CHEMBL4244745 | [C][N+1][=C][C][=Branch1][#C][=C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=Branch1][C][=O][/C][=Branch1][P][=C][/C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][C][Ring2][Ring1][=Branch2].[I-1] |
CHEMBL4245054 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][S][C][=N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][O][Ring1][N] |
CHEMBL4245056 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][O][Ring1][#C] |
CHEMBL4245060 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][S][C][=N][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=C][C][=C][Ring1][#Branch2][O][Ring1][=N] |
CHEMBL4245067 | [C][C][C@][Branch1][C][O][C][C@@H1][C][N][Branch2][Branch2][C][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][Branch2][Branch1][P][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][N][Branch1][C][C][C@H1][C@@][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][Branch1][Ring1][C][C][C][C@H1][Branch1][C][O][C][N][C][C][C@][Ring2][Ring1][#C][Ring2][Ring1][#Branch1][C@@H1][Ring1][Branch1][Ring1][N][C][Ring2][Branch1][=Branch1][C][Ring2][Branch1][#Branch2] |
CHEMBL4245069 | [C][O][C][=C][C][Branch2][Ring1][=C][C][=C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][#C][=O][=C][C][=C][Ring2][Ring1][#Branch1][O] |
CHEMBL4245072 | [C][C][Branch1][C][C][N][C][=Branch1][C][=N][C][=C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][N][=C][C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][=C][Branch1][O][C][=Branch1][C][=N][N][C][Branch1][C][C][C][C][=C][Ring1][N][NH1][Ring1][#C][=C][Ring2][Ring1][Branch1][NH1][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C] |
CHEMBL4245076 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][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] |
CHEMBL4245315 | [C][O][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][=Branch1][Branch1][=C][Ring1][Branch2][C][O][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][#C][=O] |
CHEMBL4245320 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][#C][C][S][C][=Branch1][C][=S][N][C][C][C][P][=Branch1][C][=O][Branch1][Branch2][O][C][C][Branch1][C][C][C][O][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4245326 | [O][=C][O][C][C][=C][Ring1][Branch1][C][Branch1][C][O][=C][C][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=Ring1][=Branch2][C][Branch1][C][O][=C][Ring1][=C][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch2][=Ring2][Ring1][Ring2] |
CHEMBL4245344 | [O][=C][Branch2][Ring2][Branch2][N][C@@H1][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4245355 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][C][C][=C][C][=C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C@H1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch2][C][=N][Ring2][Ring1][S] |
CHEMBL4245357 | [C][O][C][=C][C][=C][Branch2][Branch1][Branch1][C][=C][C][=C][O][C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][=Ring2][Ring1][#Branch1][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C][C][=N][Ring2][Ring2][Ring2] |
CHEMBL4245629 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4245631 | [C][C][O][C][=Branch1][C][=O][/C][=C][/C@H1][Branch1][C][O][C@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C] |
CHEMBL4245633 | [C][N][C][=C][Branch2][Ring2][=Branch1][C][=N][N][Branch2][Ring1][C][C][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][C][#N][C][C][Ring1][O][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][Branch1][Ring1][#Branch1][C][=N][Ring2][Ring1][#Branch2] |
CHEMBL4245637 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][C] |
CHEMBL4245899 | [C][N][Branch1][C][C][C][=Branch1][C][=N][C][=C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][N][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=N][N][Branch1][C][C][C][C][=C][Ring1][O][NH1][Ring1][=C][S][Ring2][Ring1][Ring1][NH1][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N] |
CHEMBL4245903 | [C][=C][C][Branch1][C][C][Branch1][C][C][O] |
CHEMBL4245906 | [F][C][=C][C][=C][Branch2][Ring1][O][N][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2][Cl] |
CHEMBL4245908 | [C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][C@@H1][Branch1][S][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring2][Ring1][S] |
CHEMBL4245910 | [C][O][C][=C][C][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][=N][N][=C][Ring1][#C][C][=C][Ring2][Ring1][Ring1][O][C][C][C][Cl] |
CHEMBL4245918 | [C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][P+1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1].[Br-1] |
CHEMBL4245919 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][N][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N] |
CHEMBL4246209 | [C][=C][C][=C][Branch2][Ring1][=N][C][=C][N][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][N][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4246212 | [C][C][S][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][C][=Ring1][O][O][C][C][N][C][C][C][C][Ring1][Branch1] |
CHEMBL4246214 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][N][=N][Ring1][=N][O][N][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][O][C] |
CHEMBL4246218 | [C][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring1][=N][C][C][Ring2][Ring1][Branch1][C] |
CHEMBL4246466 | [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][N][Branch2][Ring1][#Branch2][C][C][=C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][O][Ring1][=C][N][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4246475 | [C][C][Branch1][C][C][C][C][C][=C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Ring1][#Branch2][N][Branch1][=Branch1][C][Branch1][C][F][F][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][C][C][C][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][P] |
CHEMBL4246480 | [C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][B][Branch1][C][O][O] |
CHEMBL4246481 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][C][Branch1][#Branch2][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][C][Branch1][Ring1][O][C][O][C][=N][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N][C][O] |
CHEMBL4246777 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][C][Ring2][Ring1][=Branch2][=Ring1][P] |
CHEMBL4246780 | [C][C][O][C][C][=C][Branch2][Ring1][P][C][C][C@][Branch1][C][C][C@@H1][Branch1][C][C][C][C][C@@][Branch1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][C@H1][Ring1][#Branch2][Ring1][S][C][=Branch1][C][=O][O][Ring2][Ring1][Branch2] |
CHEMBL4246781 | [C][C][Si][Branch1][C][C][Branch1][C][C][O] |
CHEMBL4246782 | [O][=C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][O][Ring1][=C].[K+1] |
CHEMBL4246788 | [C][O][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=N][C][NH1][C][=C][C][Ring1][N][=Ring1][Branch1][C][Branch1][Branch1][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][#Branch1] |
CHEMBL4247069 | [O][=S][=Branch1][C][=O][Branch2][Ring1][O][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4247073 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=Ring1][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1][C][=N][Ring2][Ring1][O] |
CHEMBL4247074 | [C][C][=C][C][Branch1][=C][N][C][C][N][C][=C][C][=C][Ring1][Branch1][C][Ring1][=Branch2][=C][C][Branch1][C][C][=C][Ring1][S][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4247075 | [C][C][O][C][=Branch1][C][=O][/C][=C][/C@H1][Branch1][C][O][C@H1][Branch1][O][C][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][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4247078 | [C][N][C][=C][Branch2][Ring1][C][C][=C][C][=C][N][=C][NH1][C][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][O][C][=N][Ring1][S] |
CHEMBL4247357 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
CHEMBL4247358 | [C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=N][N][=C][Ring1][=C][C][=C][Ring2][Ring1][C][O][C][C][C][Cl] |
CHEMBL4247363 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][Branch1][C][C][=O][C][C][C][/C][=C][\C][C][C][C@@][Branch1][C][C][Branch2][=Branch1][=Branch2][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][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Ring2][#Branch1][N][=O] |
CHEMBL4247365 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=C][Branch1][#C][/C][=N][/N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4247369 | [O][=C][Branch1][Ring1][C][Cl][N][C][=C][C][=C][C][Branch2][Ring1][Branch2][C@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Branch1] |
CHEMBL4247714 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][=N][C][=N][N][C][=Branch1][C][=O][C][C@H1][Ring1][#Branch1][C][C][=C][Ring1][=C][N+1][=Branch1][C][=O][O-1] |
CHEMBL4247724 | [C][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][O][C][C][C][N][C][C][C][C][Ring1][Branch1] |
CHEMBL4247725 | [O][=C][Branch2][Ring1][Branch2][/C][=C][/C][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4247727 | [C][C][=N][C][=C][C][=C][Branch1][#C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][S][C][=Branch1][C][=O][NH1][Ring2][Ring1][Branch1] |
CHEMBL4247729 | [C][C][Branch1][C][C][C][C][C][=C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][C][C][O][C][C@H1][C][O][C][C][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] |
CHEMBL4247736 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4247743 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][S][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4247992 | [C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][NH1][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][=C][=Ring1][#Branch1][=C][Ring2][Ring1][Ring2] |
CHEMBL4247994 | [N][C@H1][Branch1][P][C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][=Branch1][C][=O][O] |
CHEMBL4248001 | [O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][O][C][C][O][C][=C][Branch1][C][O][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring2][Ring1][C][O] |
CHEMBL4248002 | [C][O][C][=C][C][=C][NH1][C][Branch2][Ring2][=Branch1][C][=N][N][C][Branch2][Ring1][Branch1][C][O][C][=C][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][N][Ring1][Branch2][=N][N][=C][Ring2][Ring1][Ring1][S][Ring2][Ring1][=Branch1][=C][C][Ring2][Ring1][O][=C][Ring2][Ring1][#C] |
CHEMBL4248008 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][O] |
CHEMBL4248266 | [C][O][C][=C][C][=C][C][Branch2][Ring2][=Branch1][C][=N][N][C][Branch2][Ring1][Branch1][C][O][C][=C][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][N][Ring1][Branch2][=N][N][=C][Ring2][Ring1][Ring1][S][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][N] |
CHEMBL4248268 | [C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Br] |
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