chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4251423 | [Cl][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][O][=C][Ring2][Ring1][Branch1] |
CHEMBL4251426 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Ring1][Branch1][C][N][Ring1][Branch1][C][=Branch1][C][=S][S][C][Branch1][#Branch1][C][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4251427 | [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][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1] |
CHEMBL4251433 | [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][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring1][S][Ring2][Ring1][#Branch1] |
CHEMBL4277379 | [C][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][Ring2][Ring1][Branch1] |
CHEMBL4277380 | [C][C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][=N][N][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Ring1][=C][Ring2][Ring1][#C] |
CHEMBL4277381 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#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] |
CHEMBL4277382 | [C][C][=C][C][Branch2][Ring1][Ring2][/C][=C][\C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][Branch1][C][C][C][Ring1][=Branch2][=O][=C][Branch1][C][C][N][Ring1][P][C] |
CHEMBL4277383 | [C][O][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][C][C][=N][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=Ring1][=C][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C] |
CHEMBL4277462 | [C][C][O][C][=Branch1][C][=O][/C][=Branch1][P][=C][Branch1][C][\N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][N] |
CHEMBL4277463 | [O][=C][NH1][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][N][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][S][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][#Branch1] |
CHEMBL4277464 | [C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] |
CHEMBL4277465 | [C][C][=C][N][C][=C][Branch2][Ring1][=Branch2][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][N][=C][Ring2][Ring1][Ring1][S][Ring2][Ring1][=Branch1] |
CHEMBL4277551 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S] |
CHEMBL4277552 | [C][O][C][=C][Branch1][C][O][C][=C][Branch1][Ring2][C][C][N][C][=C][Ring1][#Branch2][S][S][S][S][S][Ring1][#Branch1] |
CHEMBL4277553 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][C][O][C][Ring1][Branch2][=O][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4277554 | [C][C][C@H1][Branch1][Ring1][C][O][N][C][=N][C][Branch1][P][N][C][Branch1][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][Branch2][Ring1][#Branch1][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][=N][Ring2][Ring1][N] |
CHEMBL4277640 | [C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][C][=C][Branch1][Ring1][C][#N][C][=N][N][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4277641 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch2][Ring1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][C][Ring2][Ring1][Branch1] |
CHEMBL4277642 | [C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][S][C][Branch1][Branch2][N][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=N][=C][Ring2][Ring1][Ring2] |
CHEMBL4277643 | [C][C][C][C][C][C][C][C][C][=C][C][=C][Branch1][P][C@@H1][C][C][C@H1][C][C@H1][Branch1][Ring1][C][O][C][N][Ring1][#Branch1][Ring1][#Branch2][C][=C][Ring1][S].[Cl] |
CHEMBL4277644 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][Branch2][Ring2][=Branch2][C][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C][C][C][Ring2][Ring1][N] |
CHEMBL4277725 | [C][C][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][C][N][N][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4277726 | [C][C][Branch2][Ring2][N][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][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4277727 | [C][C][=C][C][=C][O][C][Branch2][Branch1][#C][C][=C][C][=C][Branch2][Branch1][Ring1][O][C][C][C][C][C][=C][N][Branch2][Ring2][Ring1][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][N][C][=C][Ring2][Ring2][#Branch1][=C][C][=Branch1][C][=O][C][Ring2][Ring2][=C][=C][Ring2][Branch1][C] |
CHEMBL4277728 | [F][C][=C][C][=C][Branch2][Ring2][#Branch2][C][O][C][Branch2][Ring1][Branch2][C][N][C][=N+1][Branch1][=C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=N][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][Branch1][C][F][=C][Ring2][Ring1][P].[Cl-1] |
CHEMBL4276661 | [N][C][=N][C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][C][=Ring1][P][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O] |
CHEMBL4276662 | [N][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4276663 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C][=C][C][=Branch1][Branch2][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Branch1][=Branch1][C][C][C][Ring1][Branch1][C][C][=C][Branch1][=Branch1][S][C][=Ring1][Branch1][C][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][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@@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][Ring2][#Branch1][=Branch2][=O] |
CHEMBL4276664 | [C][C][Branch1][C][C][C@H1][C][C][C@][Ring1][=Branch1][Branch1][C][C][C@H1][Branch1][#C][O][C][=Branch1][C][=O][C][N][C][C][N][C][C][Ring1][=Branch1][C][Ring1][P] |
CHEMBL4276665 | [C][C][C][C][O][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=C][Branch1][#C][C@H1][C][C][C@][Branch1][C][N][Branch1][Ring1][C][O][C][Ring1][Branch2][C][=C][Ring1][=C][C][C][Ring2][Ring1][Ring1] |
CHEMBL4276666 | [C][O][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][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][=N][C][C@H1][C][=Branch1][C][=O][O][C][C@@H1][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL4276733 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][Branch1][C][N][=C][C][=Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4276734 | [O][=N+1][Branch1][C][O-1][C][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][C][Cl][=C][N][Ring2][Ring1][#Branch2][Ring1][=N] |
CHEMBL4276735 | [S][=C][Branch2][Ring1][=Branch1][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Ring1][=N][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4276736 | [C][C][C][C][C][C][C][C][O][C@@H1][C@@H1][Branch1][Ring1][C][N][O][C@H1][Branch2][Ring2][=Branch2][O][C@@H1][C@@H1][Branch1][C][N][C][C@@H1][Branch1][C][N][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@H1][Ring2][Ring1][Ring2][O][C@H1][Branch1][C][N][C@H1][Ring2][Ring1][#C][O] |
CHEMBL4276737 | [C][C][Branch1][C][C][C@H1][C][C][C@][Ring1][=Branch1][Branch1][C][C][C@H1][Branch1][S][O][C][=Branch1][C][=O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][C] |
CHEMBL4276818 | [N][#C][C][=C][C][Branch1][C][O][=C][C][C][=C][Branch1][#Branch1][O][C][Ring1][#Branch2][=Ring1][Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][=N] |
CHEMBL4276819 | [C][O][C][=C][C][Branch2][Ring2][Branch2][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=Branch1][Ring1][=N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=C][O][C] |
CHEMBL4276820 | [N][C][=N][C][O][C][=C][C][=C][Branch1][O][/C][=C][/C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CHEMBL4276821 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4276822 | [O][=C][Branch2][Ring2][=Branch1][N][C@@H1][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Branch1][C][F][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][F][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P] |
CHEMBL4276823 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][P] |
CHEMBL4276906 | [O][=C][Branch2][Ring1][#Branch1][/C][=C][/C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CHEMBL4276907 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][S][C][NH1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=C][C][=N][Ring2][Ring1][=Branch2] |
CHEMBL4276908 | [O][=C][NH1][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][O][C][O][Ring2][Ring1][C] |
CHEMBL4276909 | [C][C][N][C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][Ring2][Ring1][#Branch1] |
CHEMBL4276910 | [C][C][=Branch1][C][=O][N][C][C][C@H1][C@@H1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C@@][Ring1][O][Branch1][C][C][C][C][C@@H1][Ring1][S][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][C@H1][Ring2][Ring1][O][Ring1][Branch2] |
CHEMBL4276911 | [C][C][N][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][=C][C][=C][Ring1][P][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] |
CHEMBL4276987 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][N][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][=C] |
CHEMBL4276988 | [C][C][C][C@@H1][Branch1][Ring2][C][C][O][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][C][Ring1][=C] |
CHEMBL4276989 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][=Branch1][C][/C][=C][Branch1][C][/C][C][C][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][C][C][C][N][=N][Ring2][Ring1][Ring2] |
CHEMBL4276990 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][C][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][#Branch2][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][Ring2][Ring1][O] |
CHEMBL4276991 | [N][C][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4276992 | [N][C][C@H1][O][C@H1][Branch2][Ring2][#Branch2][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C][C@H1][Branch1][C][N][C@H1][Ring1][=Branch2][O][C@H1][O][C@@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][O][N][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][=N][O].[O][=S][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL4276994 | [C][C][C][N][C][=Branch1][C][=N][C@H1][Branch2][Ring2][P][C@H1][Branch1][O][C][C@@H1][C][C][C][N][C][Ring1][=Branch1][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][O][C][Ring2][Ring2][Ring2][=O] |
CHEMBL4277073 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][C][C][C][=Branch1][C][=O][N][N][=C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4277074 | [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][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] |
CHEMBL4277075 | [C][C][C][C][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=C][Branch1][#C][C@H1][C][C][C@][Branch1][C][N][Branch1][Ring1][C][O][C][Ring1][Branch2][C][=C][Ring1][=C][C][C][Ring2][Ring1][Ring1] |
CHEMBL4277076 | [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][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][#C] |
CHEMBL4277155 | [C][C][=Branch1][C][=O][C][S][C][Branch2][Ring2][=Branch2][N][/N][=C][/C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][Ring2][Ring1][=Branch1][=O][=N][C][=Ring2][Ring1][=C][C] |
CHEMBL4277156 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C][O][C] |
CHEMBL4277157 | [C][C][C][O][C][=C][C][=C][Branch1][=C][C][N+1][Branch1][C][C][Branch1][Ring2][C][C][O][C][C][O][C][=C][Ring1][#C][C][C][=C][C][Branch1][=C][C][N+1][Branch1][C][C][Branch1][Ring2][C][C][O][C][C][O][=C][C][=Branch1][Branch2][=C][Ring1][#C][O][C][C][C][C][C][=C][C][Branch1][=C][C][N+1][Branch1][C][C][Branch1][Ring2][C][C][O][C][C][O][=C][C][=Branch1][Branch2][=C][Ring1][#C][O][C][C][C][C][C][=C][C][Branch1][=C][C][N+1][Branch1][C][C][Branch1][Ring2][C][C][O][C][C][O][=C][C][=Branch1][Branch2][=C][Ring1][#C][O][C][C][C][C][Ring2][=Branch1][O].[Cl-1].[Cl-1].[Cl-1].[Cl-1] |
CHEMBL4277158 | [O][=C][Branch2][Ring1][Branch2][N][/N][=C][/C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][N][C][=C][C][=C][Ring1][Branch1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4277159 | [N][#C][C][=C][C][=C][Branch2][Branch1][O][/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][N][O][C][C][=C][N][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][=N][Ring1][#C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring2][#Branch2] |
CHEMBL4277245 | [O][=C][NH1][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][N][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][S][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1][NH1][Ring2][Ring1][Branch2] |
CHEMBL4277246 | [O][=C][Branch1][Branch2][C][=C][N][=C][NH1][Ring1][Branch1][N][C][C][N][Branch2][Ring2][#Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][=Branch1][Ring1][N][C][C][Ring2][Ring1][=N] |
CHEMBL4277247 | [C][C@H1][C][O][C][C@@H1][Branch1][C][C][N][Ring1][#Branch1][C][=N][C][Branch1][P][C][=C][N][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Branch1][C][F][F][=N][C][Branch1][=N][N][C@@H1][Branch1][C][C][C][O][C][C@H1][Ring1][#Branch1][C][=N][Ring2][Ring1][Branch2] |
CHEMBL4277248 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][C][C][N][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][O].[Cl] |
CHEMBL4277249 | [C][O][C][=C][C][=C][Branch3][Ring1][C][#C][C][N][Branch2][=C][O][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][#Branch2][#Branch1][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][N][S] |
CHEMBL4237226 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][C][O][C][=C][C][=C][Branch1][S][C][C@@H1][Branch1][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4237228 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][C][=C][N][=C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][N][=C][Ring1][P][Ring2][Ring1][=Branch1] |
CHEMBL4237231 | [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][=Branch2][=C][/C][=C][C][=C][S][Ring1][Branch1][C][C][Ring2][Ring1][Branch1].[I-1] |
CHEMBL4237236 | [C][O][C][=C][C][Branch1][P][N][C][=N][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][=Branch2][=C][C][=C][Ring1][S][F] |
CHEMBL4237469 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=N][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][=C][Ring2][Ring1][=Branch2] |
CHEMBL4237474 | [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][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][O][Ring1][N] |
CHEMBL4237476 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][C][=C][N][Ring1][N][Ring1][=Branch1] |
CHEMBL4237477 | [C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][Branch2][N][C][=Branch1][C][=O][C][Cl][=C][Ring1][O] |
CHEMBL4237726 | [O][=C][C][=C][C][=C][Branch1][P][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Br][C][=C][Ring2][Ring1][=Branch1][O] |
CHEMBL4237728 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][P][N][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][Ring2][Ring1][Ring2][=O][C][=C][Ring2][Ring1][O] |
CHEMBL4237730 | [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][C][N][C][=Branch1][C][=O][C][O][C][C][O][C][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][#C][=Ring2][Branch1][Branch1] |
CHEMBL4237731 | [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][N][Branch2][Ring1][O][C][C][=C][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][O][Ring1][#C][N][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL4237732 | [C][C][Branch1][C][C][C][C@@H1][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][N][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=Branch1][C][=O][N][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][C][Branch1][C][C][C][N][C][Ring2][Branch1][=Branch1][=O] |
CHEMBL4238041 | [O][=C][Branch2][Ring1][=Branch1][N][C][C@H1][Branch1][C][O][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL4238042 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][=N][N][=C][S][C][Branch1][Branch2][C][C][=C][NH1][C][=Ring1][Branch1][=N][N][Ring1][=N][Ring1][#Branch2][=C][C][=N][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] |
CHEMBL4238045 | [C][C][C][C][N][C][=Branch1][C][=O][C][=Branch2][Ring1][=N][=C][/C][=C][/C][=C][\O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][Ring2][Ring1][S][=S].[Na+1] |
CHEMBL4238053 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][N][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N] |
CHEMBL4238054 | [N][=C][Branch2][=Branch1][=Branch1][C][=C][C][=C][C][=C][Branch2][Branch1][Ring2][C][=C][C][=C][Branch2][Ring2][Branch2][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=N][N][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][O][C][=C][Ring2][Ring1][Ring1][NH1][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N][NH1][C][Ring2][Ring1][P][=C][Ring2][Ring2][Branch1][N][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][O] |
CHEMBL4238312 | [C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][C][=Ring1][#C][C][=C][C][=N][C][Branch1][Ring1][N][N][=N][Ring1][Branch2] |
CHEMBL4238313 | [C][=C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][N][Ring1][O][O][C][=C][Ring2][Ring1][C][C][#N] |
CHEMBL4238314 | [C][C][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][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] |
CHEMBL4238315 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4238317 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C][=C][Branch1][C][C][C][Ring2][Ring1][S][=Ring2][Ring1][Branch2] |
CHEMBL4238557 | [O][=C][Branch2][Ring1][S][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N] |
CHEMBL4238559 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@H1][C][C][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][Ring1][O][Ring1][=C] |
CHEMBL4238560 | [O][=C][Branch1][#C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][N][O] |
CHEMBL4238561 | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][O][N][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring2][Ring1][C][=O] |
CHEMBL4238573 | [O][C][C@H1][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][C][O] |
CHEMBL4238861 | [C][N][C][=C][Branch2][Branch1][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][O][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][Ring2][Ring1][Branch1][C][=N][Ring2][Ring1][N][C][=N][Ring2][Ring1][P] |
CHEMBL4238864 | [O][=C][Branch2][Ring1][#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][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] |
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