chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4292439 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=N][C][=Ring1][P][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CHEMBL4292516 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][/C][=C][\C][C][C][/C][=Branch1][S][=C][\C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][Ring1][P][=O][=C][Ring2][Ring1][=Branch2] |
CHEMBL4292517 | [C][C][C][C][=Branch1][C][=O][O][C][C@][Branch1][C][C][C][=C][Branch1][Ring1][C][=O][C@][Branch1][C][C][C@H1][C][=Branch1][C][=O][C][=C][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][C@@][Ring1][S][Branch1][C][C][C@][Ring2][Ring1][=Branch1][Branch1][C][C][C][C][C@@H1][Ring2][Ring2][C][Ring2][Ring1][N] |
CHEMBL4292518 | [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][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][O][Ring2][Ring1][N] |
CHEMBL4292519 | [O][=C][Branch1][P][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2] |
CHEMBL4292596 | [C][C][C][C][N][Branch2][Ring1][Branch1][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][Branch1][C][C][=O] |
CHEMBL4292597 | [C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][S][C][N][C@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4292598 | [C][C][=C][C][=C][C][Branch2][Ring1][O][O][C][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Branch2] |
CHEMBL4292599 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][Branch1][C][Branch1][Ring1][O][C][=N][Ring2][Ring1][=C] |
CHEMBL4292687 | [C][O][C][=Branch1][C][=O][C][=C][C@H1][Branch2][Branch1][S][N][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][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][Ring2][Ring1][=C][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Ring2][P] |
CHEMBL4292688 | [C][C][C][=C][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][=Branch1][C][=O][C][=N+1][Ring1][S][O-1] |
CHEMBL4292689 | [N][C][S][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4292690 | [C][=C][C][=Branch1][C][=O][O][C@@H1][C][C@@][Branch1][C][C][C][C][C@@H1][Branch1][=N][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C@][Branch1][Branch1][C][O][Ring1][Ring1][C@@H1][Ring2][Ring1][Ring1][C][C@H1][Ring2][Ring1][O][Ring2][Ring1][#Branch1] |
CHEMBL4292691 | [Cl].[C][N][C][Branch1][S][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][C][C][Ring1][#Branch1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring2][Ring1][=Branch1] |
CHEMBL4292765 | [C][C][C][C][C][C][C][C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][C][C@H1][C][C@H1][Branch1][Ring1][C][O][C][N][Ring1][#Branch1][C][=C][Ring1][S].[Cl] |
CHEMBL4292766 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][=C][/C][=C][/C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][#C][O] |
CHEMBL4292767 | [O][=C][C][=C][C][=C][Branch2][Branch1][#Branch1][O][C][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][Branch2] |
CHEMBL4292768 | [C][C][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][=C][N][Ring1][Branch2][C][Ring1][N][=O] |
CHEMBL4292769 | [C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch2][Ring1][=Branch2][C][N][C][=C][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][=N][Ring1][=N][=C][\C][C][C@@][Branch1][C][C][O][C@@H1][Ring2][Ring1][#Branch2][Ring1][Ring2] |
CHEMBL4292770 | [N][C][=N][C][O][C][=C][C][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Ring1][C][=C][Ring1][O][C][=Branch1][C][=O][C][=Ring1][S][C][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O] |
CHEMBL4292847 | [O][=C][NH1][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][N][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][#Branch1] |
CHEMBL4292848 | [O][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
CHEMBL4292849 | [C][O][C][=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][Ring2][Ring1][=Branch2] |
CHEMBL4292850 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][Branch1][C][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring1][=C][C][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4292927 | [C][C][Branch1][C][C][C][C][S][C][=Branch1][C][=S][N][C][C][C][C][S+1][Branch1][C][C][O-1] |
CHEMBL4292928 | [C][C@@H1][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][=Branch1][C][=O][O] |
CHEMBL4292929 | [F][C][=C][C][=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][Branch1][C][F][=C][Ring2][Ring1][N] |
CHEMBL4292930 | [C][C][C][=N][N][C][Branch1][=C][N][C][C][=C][C][=C][N+1][Branch1][C][O-1][=C][Ring1][#Branch1][=C][C][Branch1][N][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][C][O][=N][C][=Ring2][Ring1][O][Ring2][Ring1][Branch2] |
CHEMBL4293018 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Branch1][S][C][C][=N][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Ring1][=Branch2][N][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N] |
CHEMBL4293019 | [C][N][Branch2][Ring1][O][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][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4293020 | [C][O][C][=C][C][=C][Branch2][Ring2][P][/C][=C][/C][=Branch1][C][=O][C][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][N][=Ring2][Ring1][=Branch2][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4293021 | [C][=C][C][=C][Branch2][Ring2][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][C][=C][NH1][N][=N][Ring1][Branch1][=C][C][=N][Ring1][O][=C][Ring1][S][C][=C][Ring2][Ring1][#C] |
CHEMBL4293022 | [O][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Branch2][Ring2][C][=C][C][=C][C][Branch2][#Branch1][Branch2][O][C][C][O][C][C][N][C][=C][Branch2][=Branch1][#Branch1][C][N][C][C][N][Branch2][Branch1][#Branch2][C][C][=C][N][Branch2][Ring2][=C][C][C][O][C][C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring2][Ring2][C][C][Ring2][Ring2][O][N][=N][Ring2][Ring2][P][=C][Ring2][Branch1][=N][O][C][=C][C][=C][C][=C][Ring2][=Branch1][#C][Ring1][=Branch1] |
CHEMBL4293023 | [C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C@@H1][C][C@@H1][N][C][=Branch1][C][=O][O][C@@H1][Ring1][=Branch1][C][Ring1][=Branch2][C][=C][Ring2][Ring2][=Branch1] |
CHEMBL4293109 | [O][=C][Branch1][Branch1][N][C][C][Cl][N][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4293110 | [O][=C][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][/C][Ring2][Ring1][C][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4293111 | [C][C][=C][Branch1][=N][C][N][C][C][C][C][Branch1][C][O][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][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4293112 | [C][C][=C][C][=C][Branch2][Branch1][C][C][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][N][C][=Ring1][#C][C][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring2][Branch1] |
CHEMBL4293113 | [Cl][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][S][C][=C][C][=Ring1][Branch1][Ring1][O][=C][NH1][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] |
CHEMBL4293198 | [C][O][C][=C][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring2][N][C][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][O][C] |
CHEMBL4293199 | [N][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL4293200 | [C][N][C][=Branch1][C][=O][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] |
CHEMBL4293201 | [O][=C][Branch2][Ring2][Ring2][N][C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O] |
CHEMBL4293282 | [C][N][Branch1][C][C][C][=N][C][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][S][C][Ring1][#Branch1] |
CHEMBL4293283 | [F][C][Branch1][C][F][C][C][Branch2][Branch1][#C][C][C][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][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][O][C][Ring2][Ring1][S][C][Ring2][Ring2][Ring2] |
CHEMBL4293284 | [N][#C][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=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][Branch2][=C][Ring2][Ring1][S] |
CHEMBL4293285 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=C][/N][=C][\S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4293286 | [O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=C] |
CHEMBL4293364 | [C][C][N][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][O][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][C][=Branch1][C][=O][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4293365 | [C][C][C][C][C@H1][Branch2][Ring2][O][N][C][=Branch1][C][=O][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][N][=O] |
CHEMBL4293366 | [C][C@H1][C@H1][Branch1][C][C][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][=Branch2][Branch1][Branch2][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][S][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Ring2][Ring1][=Branch1][C][C][C@][Ring2][Ring1][#Branch2][Ring2][Ring1][S][C][C@H1][Ring2][Ring2][O][Ring2][Ring2][=Branch1] |
CHEMBL4293367 | [C][C][C][C][C][C][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] |
CHEMBL4293368 | [C][C][Branch1][C][C][=C][C][C@@H1][Branch2][Ring1][#C][O][C][=Branch1][C][=O][C][C][C][C][C@@H1][C][C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][=N][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O] |
CHEMBL4293369 | [C][C][NH1][N][=C][Branch1][C][N][C][=Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CHEMBL4293446 | [C][O][C][=C][C][=C][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][O][C][Ring2][Ring1][#Branch1][=Ring2][Ring1][Ring1] |
CHEMBL4293447 | [C][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2][=C][Branch2][Ring1][#Branch2][C][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][C][C][Branch1][C][N][C][C][Ring1][#Branch1][C][=N][Ring2][Ring1][S] |
CHEMBL4293448 | [O][=C][Branch1][Ring1][N][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][N][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=C] |
CHEMBL4293449 | [C][C][C][C][C][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][Branch2][Ring1][#Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][Ring2][Ring1][Branch1] |
CHEMBL4293450 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] |
CHEMBL4293543 | [C][S][=Branch1][C][=O][=Branch1][C][=O][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][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][=C] |
CHEMBL4293544 | [C][O][C][=Branch1][C][=O][C@@][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][C@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring2][Ring1][#Branch1][=O] |
CHEMBL4293545 | [N][#C][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring2][#C][N][C][=N][C][Branch1][#C][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch2][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=N][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][#C] |
CHEMBL4293546 | [C][=C][C][=C][Branch2][Ring2][C][C@@H1][C][C@H1][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4293623 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][C][Branch1][C][C][C][Ring2][Ring1][C] |
CHEMBL4293624 | [C][C][C][C][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][Ring2][Ring1][=Branch1] |
CHEMBL4293625 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C][=C][Branch1][P][/C][=C][/C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][=C][N][Ring2][Ring1][Branch1][Ring1][=Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL4293626 | [C][C@H1][C][O][C][=C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=N][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][O] |
CHEMBL4293627 | [C][C][=C][C][=C][Branch2][Branch1][P][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch2][Ring2][#C][O][C][C][C][C][C][=C][N][Branch2][Ring1][#C][C][C][O][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][P][=Ring1][=N][N][=N][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring2][Ring2][C][Branch1][C][O][=C][Ring2][Ring2][#C] |
CHEMBL4293628 | [C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch2][#Branch1][Ring1][O][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][=Branch2][Branch1][C][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][Se][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][C][C][C][C@][Ring2][Ring1][=Branch1][Ring2][Ring1][N][C][C@H1][Ring2][Ring2][C][C][Ring2][Ring2][#Branch1][=C][Ring2][Ring2][S].[Cl] |
CHEMBL4293713 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][/C][=C][\N][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=N] |
CHEMBL4293714 | [C][C][S][C][=C][C][=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][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][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][N][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][Ring2][Branch2][Branch1][=O] |
CHEMBL4293715 | [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][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O][=C][Ring1][P] |
CHEMBL4293716 | [N][C][O][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=C][C][=C][Ring1][=N][C][=Ring1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4293809 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][P][C] |
CHEMBL4293810 | [O][C][C][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][=C] |
CHEMBL4293811 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][=C][Ring1][=N][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] |
CHEMBL4293812 | [C][=C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@H1][C@][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C@][Ring2][Ring1][Ring1][Ring1][=C][C] |
CHEMBL4293890 | [C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch1][=N][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL4293891 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch1][N][/N][=C][Branch1][=Branch1][\C][Branch1][C][C][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][NH1][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2] |
CHEMBL4293892 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch1][#C][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1] |
CHEMBL4293893 | [O][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][Ring1][N][O][Ring1][P] |
CHEMBL4293894 | [N][C][C][O][C][C][O][C][C][N][C][=N][C][Branch1][=C][N][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][O] |
CHEMBL4293895 | [O][=C][Branch2][Ring1][#C][/C][=C][/C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][S] |
CHEMBL4293896 | [C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][=Branch2][N][Ring1][Branch1][C][Branch1][C][C][C][C@H1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL4293897 | [C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4288935 | [C][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][C][C@H1][Branch1][Ring2][N][C][#N][C][=C][C][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Branch1] |
CHEMBL4288936 | [C][C][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][=Branch1][C][=O][O] |
CHEMBL4288937 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CHEMBL4288938 | [N][C][=C][N][=C][C][Branch2][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring1][P] |
CHEMBL4288939 | [C][C][Branch1][C][C][C][=C][C][=C][C][O][C][=N][C][Branch1][C][N][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1][=Ring1][#C] |
CHEMBL4288940 | [F][C][C][C][N][Branch2][Branch1][Ring2][C][C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][O][C][Branch1][Branch1][O][O][Ring1][Branch2][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][O][C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2][C][C][Ring2][Ring2][Ring1] |
CHEMBL4289019 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=C][Ring1][#C] |
CHEMBL4289020 | [F][C][=C][C][=C][C][Branch2][Branch1][#Branch2][C][N][C][=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][C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=N][Ring2][Ring1][=C][=C][Ring2][Ring2][=Branch1] |
CHEMBL4289021 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][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][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][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][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][#Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C] |
CHEMBL4289022 | [F][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][F][=C][Ring2][Ring1][#Branch1] |
CHEMBL4289023 | [C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Ring1][O][Ring2][Ring1][#Branch2] |
CHEMBL4289103 | [C][C][=C][C][=C][C][C][Branch1][O][/C][=N][/N][C][=Branch1][C][=O][C][C][#N][=C][NH1][C][Ring1][P][=Ring1][=N] |
CHEMBL4289104 | [C][N][Branch1][C][C][C][C][C][O][C][=C][C][=C][C][Branch1][P][/C][=C][\C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][C] |
CHEMBL4289105 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][=C][Ring2][Ring1][Branch2] |
CHEMBL4289106 | [O][=C][Branch1][C][O][/C][=C][/C][=C][C][=C][O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=Branch1][C][=O][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
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