chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4280332 | [C][N][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C@H1][Branch2][N][=C][C][=C][C][=C][C][Branch2][N][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][C][Branch2][Branch1][O][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C@@H1][C][N][Branch1][C][C][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Ring1][=N][=C][Ring2][Ring1][Ring1][Branch2][Branch1][O][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C@@H1][C][N][Branch1][C][C][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Ring1][=N][=C][Ring2][Ring1][Ring1][N][C][=Branch1][C][=O][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Branch2][=Branch2][C][Ring2][=Branch2][Branch1] |
CHEMBL4280333 | [C][C][=C][C][=Branch1][C][=O][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][NH1][Ring1][#C] |
CHEMBL4280334 | [C][C@H1][Branch2][Ring2][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch2][Ring1][Branch1][C][N][C][=N][C][Branch1][=Branch2][O][C][C][N][Branch1][C][C][C][=C][C][Ring1][N][=O][C][C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4280335 | [C][C][N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][=C][C][=C][Ring1][S][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] |
CHEMBL4280336 | [C][C@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C@][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4280409 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][NH1][C][Branch1][#C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][C][=Ring1][#C][Ring2][Ring1][Branch2] |
CHEMBL4280410 | [C][O][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][S] |
CHEMBL4280411 | [C][O][C][=Branch1][C][=O][O][C@@H1][C][=C][C][=Branch1][=C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][Branch1][C][C][C][C@H1][Branch1][C][C][C@@H1][C][C@@][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@H1][Ring1][Branch2][Ring1][=N][C@][Ring1][S][Ring2][Ring1][=N][C] |
CHEMBL4280412 | [C][C][N][Branch1][Ring1][C][C][C][C].[C][C][N][Branch1][Ring1][C][C][C][C].[C][O][/N][=C][/C][=C][N][Branch2][Ring2][Ring2][C@][C][C@H1][Ring1][Ring1][C@H1][Branch2][Ring1][Ring1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch1][C][O][C@H1][Ring1][P][O][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch2] |
CHEMBL4280413 | [C][C][=C][C][=C][C][Branch2][Ring2][=Branch1][N][Branch2][Ring1][#Branch2][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][N] |
CHEMBL4280414 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=N] |
CHEMBL4280499 | [C][O][C][C][C][C][C][N][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][S][C][=Ring1][P][Ring2][Ring1][Branch1] |
CHEMBL4280500 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Branch2][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][P] |
CHEMBL4280501 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=C][Branch2][Ring1][C][/C][=C][/C][=Branch1][C][=O][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4280502 | [F][C][=C][C][=C][Branch2][Branch1][#Branch2][C@H1][C][C@@H1][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][=N][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4280503 | [C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch2][=C][C][O][C@@H1][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C][C@H1][N][C][=Branch1][C][=O][C@H1][Branch2][Ring2][=N][N][C][=C][Branch2][Ring2][C][C][O][C][C@H1][O][C@@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring1][#Branch1][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@H1][Ring1][#Branch1][Ring1][S][N][=N][Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C@H1][Branch1][#Branch1][N][C][Ring2][Ring2][#C][=O][C][=Branch1][C][=O][N][C@H1][Ring2][=Branch1][C][C][Branch1][C][O][N][C@H1][C][=Branch1][C][=O][N][C@H1][Ring2][#Branch1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=C][C][Ring2][Ring1][#Branch1][=C][C][=C][Ring1][=Branch1][O][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][=Branch2][Branch1][O] |
CHEMBL4280504 | [C][C][=C][C][=C][O][C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][=N][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
CHEMBL4280584 | [N][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][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][Ring2][Ring1][#Branch1] |
CHEMBL4280585 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][=N][N][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][N][=C][Ring1][N][C][=N][C][=Ring2][Ring1][Branch1][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring2][Ring1][#C][Ring1][=Branch1] |
CHEMBL4280586 | [C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][N][N][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2] |
CHEMBL4280587 | [C][O][C][=C][C][Branch2][=Branch1][=Branch2][C][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][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][=C][O][C] |
CHEMBL4280588 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][S][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] |
CHEMBL4280589 | [C][C][C][Branch1][Ring1][C][C][O][C@@H1][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][N][C@H1][Ring2][Ring1][Branch1][N][C][Branch1][C][C][=O] |
CHEMBL4280590 | [C][C][=Branch1][C][=O][O][C][C@][Branch1][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@@][Branch1][C][C][C@H1][Ring1][S][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch1][=N][C][=Branch1][C][=O][N][C][C][N][C][C][Ring1][=Branch1][C][C][C@][Ring2][Ring1][Ring2][Ring2][Ring1][=Branch2][C] |
CHEMBL4280671 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][=C][Ring1][=C] |
CHEMBL4280672 | [C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][O][C][=C][Ring1][=N][C][=Branch1][C][=O][O] |
CHEMBL4280673 | [O][=C][Branch1][=C][N][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4280674 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][Branch1][C][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] |
CHEMBL4280753 | [C][C][N][C][C][N][Branch2][Ring1][=Branch1][C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch1] |
CHEMBL4280754 | [C][N][Branch2][Branch1][Ring1][C@@H1][Branch1][Ring1][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F] |
CHEMBL4280755 | [C][O][C][=C][C][=C][N][=C][Branch2][Ring2][O][C][=C][NH1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2][NH1][C][Ring2][Ring1][N][=N][Ring2][Ring1][S] |
CHEMBL4280756 | [O][=C][NH1][C][=Branch1][C][=O][N][Branch1][P][/C][=Branch1][Ring1][=N][/O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][P][I] |
CHEMBL4280757 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][N][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4280831 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][#C][O][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4280832 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][NH1][C][Ring1][N][=O] |
CHEMBL4280833 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][=C][/C][Branch1][=Branch2][C][C][=C][C][=C][NH1][Ring1][Branch1][=N][/O][N][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4280834 | [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=N][Ring1][P][C][C][Ring2][Ring1][#Branch1] |
CHEMBL4280835 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Branch1][C][Cl][=C][Ring2][Ring1][C][N][=C][N][=C][Ring2][Ring1][=Branch2][S][Ring2][Ring1][N][C][=C][Ring2][Ring2][C] |
CHEMBL4280836 | [N][#C][C][=C][C][=C][Branch2][Branch1][#Branch2][/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][O][O][C][C][=C][N][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][N][=N][Ring1][=C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring2][=Branch2] |
CHEMBL4280922 | [C][C@H1][Branch2][Ring2][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch2][Ring1][=Branch1][C][N][C][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][=N][=O][C][C][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4280923 | [C][C][C][C][Branch1][C][N][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][Branch1][Ring2][C][Ring1][O][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][Branch1][Branch1][C][Ring2][Ring1][C][C][Ring1][P].[Cl] |
CHEMBL4280924 | [O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][N][C][C][N][C][C][Ring1][=Branch1] |
CHEMBL4280925 | [O][=C][Branch1][O][O][C][C][C][C][O][C][C][Ring1][=Branch1][C@H1][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][#C][C][=Branch1][C][=O][O][C][C][C][C][O][C][C][Ring1][=Branch1][C@H1][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4280926 | [C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4281005 | [C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][#C] |
CHEMBL4281006 | [C][C][C][C][C][=C][Branch2][Ring1][=Branch2][C][O][C][=C][C][=C][Branch1][=N][C][C][S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][N][=N][N][Ring2][Ring1][Branch1][C][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#C] |
CHEMBL4281007 | [C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][Ring1][C][=N][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][Ring2][Ring1][Ring1][=Ring1][#C][=C][C][=N][Ring2][Ring1][=Branch2] |
CHEMBL4281008 | [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][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][O][C][C][C@@][Ring1][#C][Branch1][C][C][C@][Ring2][Ring1][Ring2][Branch1][C][C][C][C][Ring2][Ring1][#C] |
CHEMBL4281009 | [C][C][=Branch1][C][=O][N][C@@][Branch1][C][C][C][C][C][C@@][Branch1][C][C][N][=C][Branch1][Ring1][C][Cl][C][Ring1][N][C][C][Ring1][=Branch2][C][Ring1][=N] |
CHEMBL4281010 | [C][C][C@H1][Branch1][C][C][C@@H1][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@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Branch2][Branch2][Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][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][Branch2][C][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][O][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][Ring2][O][O][=O] |
CHEMBL4281011 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][Branch2][Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][#Branch1][Ring2][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@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Branch1][C][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@@H1][Ring2][Ring1][Branch1][C][C][C@@][Ring2][Ring1][=Branch2][Branch1][C][C][C@][Ring2][Ring1][=C][Branch1][C][C][C][C][Ring2][Ring2][=Branch2][C][C][Ring2][Ring2][P][=C][C][=C][C][=Branch1][Branch2][=N+1][Branch1][Ring1][C][C][C][C][C][=C][Ring1][O][O][C][Ring2][=Branch1][Branch2][=C][Ring2][=Branch1][N].[Cl-1] |
CHEMBL4281012 | [C][C][C@H1][Branch1][C][C][C][=C][Branch1][C][O][N@+1][Branch1][C][O-1][O][C][=C][C][=C][Branch2][Ring2][S][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring2][Ring1][=Branch1][O][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][S][O][C@@][Ring2][Ring2][Branch1][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][Ring2][Ring2][#C][O] |
CHEMBL4281013 | [C][C@H1][Branch2][Ring2][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][N][N][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][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O] |
CHEMBL4281089 | [C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] |
CHEMBL4281090 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][C][O][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CHEMBL4281091 | [C][C][C][C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][=C][Branch1][Ring1][O][C][C][=C][Ring1][=N][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][Ring2][Ring1][=Branch2] |
CHEMBL4281092 | [O][C][=C][C][=C][Branch1][P][C][=N][NH1][C][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][O][=C][Ring2][Ring1][Ring1][O] |
CHEMBL4281093 | [C][O][C][=C][C][=C][C][Branch2][Ring2][S][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][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C][=C][Ring2][Ring2][Branch1] |
CHEMBL4281163 | [C][C][Branch1][C][C][C][Branch1][C][C][N][C][=N][C][Branch1][O][N][C][Branch1][C][C][C][Branch1][C][C][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][N][=N][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] |
CHEMBL4281164 | [C][N][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][=C][C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Branch1] |
CHEMBL4281165 | [C][N][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][C][=Ring2][Ring1][#Branch1][C][Branch1][C][N][=O] |
CHEMBL4281166 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][=N][N][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][N][C][=N][C][=Ring2][Ring1][Branch1][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring2][Ring1][#C][Ring1][=Branch1] |
CHEMBL4281167 | [O][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][=N][C][=Ring1][#Branch2][Ring2][Ring1][Ring1] |
CHEMBL4281251 | [C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][=Branch1][C][=S][N][Ring2][Ring1][C] |
CHEMBL4281252 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][O][/C][=N][/N][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][S][Ring1][#C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4281253 | [C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][N][=C][S][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][=C][Ring2][Ring1][#Branch2] |
CHEMBL4281254 | [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] |
CHEMBL4281255 | [C][O][C][=Branch1][C][=O][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring1][P][C][Branch2][Ring1][Branch1][C][=C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][=N][Ring2][Ring1][P] |
CHEMBL4281345 | [C][N][Branch1][C][C][C][=C][C][=C][O][C][=N][C][Branch1][C][N][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
CHEMBL4281346 | [O][=S][=Branch1][C][=O][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][=C] |
CHEMBL4281347 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][N][C][=C][C][=C][Branch2][Ring2][=N][C@H1][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][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][C][Branch1][C][Cl][=C][Ring2][Ring2][C][C][=C][Ring2][Ring2][Branch2] |
CHEMBL4281348 | [C][C][N][C][=C][C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][P][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring2][Ring1][O] |
CHEMBL4281349 | [C][C][C][N][C][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=N][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2] |
CHEMBL4281437 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4281438 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2].[Cl] |
CHEMBL4281439 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][N][Ring1][=C][C][C][Branch1][C][O][C][N][C][=N][C][=N][Ring1][Branch1] |
CHEMBL4281440 | [C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][Branch2][Ring1][=N][N][C][C][C][C][N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][Branch1] |
CHEMBL4281441 | [C][C][=Branch1][C][=O][O][C@H1][/C][Branch1][C][C][=C][/C@H1][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][C@][Ring1][#C][Branch1][C][O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][C][C][/C][=C][/C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring2][=Branch1][O][C][Branch1][C][C][=O] |
CHEMBL4281442 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2] |
CHEMBL4281525 | [C][O][C][=C][C][Branch2][Ring2][Branch2][C][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#C][O][C] |
CHEMBL4281526 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4281527 | [C][C][=C][C][=C][Branch2][Ring2][#Branch2][C][N][C][Branch2][Ring1][Branch1][/C][=C][\S][C][=Branch1][C][=S][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][=O][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4281528 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][C][Branch1][C][C][C][Ring1][S] |
CHEMBL4281618 | [C][N][Branch2][Ring1][=Branch2][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][C][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1] |
CHEMBL4281619 | [C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][N][C][=N][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][N][=C][Ring1][O][Ring1][=C][C][=C][Ring2][Ring1][S] |
CHEMBL4281620 | [C][C][O][C][=C][C][Branch2][Ring1][Branch2][C][N][C][C][C][Branch1][=N][O][C][=N][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][C][C][Ring1][=C][=C][C][Branch1][Ring2][O][C][C][=C][Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4281621 | [C][O][C][=C][C][Branch2][Branch1][C][/C][=C][/C][C][=C][Branch2][Ring2][Branch1][/C][=C][/C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][NH1][N][=Ring2][Ring1][O][=C][C][=C][Ring2][Ring2][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4281622 | [N-1][=N+1][=N][C][C][C][C][C][C][O][C@H1][O][C@H1][Branch2][Ring1][=Branch1][C][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][Branch1][C][O][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][S][O] |
CHEMBL4281623 | [C][C][C][C][C][C][C][C][C][C][C][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][N][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][C@@H1][Ring2][Ring1][Ring2][O] |
CHEMBL4281712 | [C][O][C][=C][C][=C][C][=C][C][=C][Branch1][#Branch1][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][Branch1][Branch2][C][N][C][Branch1][C][C][=O][C][C][Ring1][N] |
CHEMBL4281713 | [N][#C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][N][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4281714 | [O][=C][Branch1][C][O][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Ring1][F] |
CHEMBL4281715 | [C][C][Branch2][Ring2][=C][N][C][=N][C][Branch1][=C][N][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2][=N][Ring2][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4281716 | [C][=C][C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][Ring2][C][C][=C][=C][C][=C][Ring1][=Branch2][O][C][Branch1][C][C][=O][=C][Ring2][Ring1][Ring2] |
CHEMBL4281807 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][N][=C][Branch1][=C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4281808 | [N][C][O][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][=C][C][=C][Ring1][S][C][=Ring2][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4281809 | [C][C][O][C][=Branch1][C][=O][N][C][O][C][=C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][N][=C][C][=C][Ring1][=C][C][=Ring1][P][N][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4281810 | [C][C][N][C][=C][Branch2][Ring1][#C][C][=C][S][C][Branch2][Ring1][Branch1][C][=C][N][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][N][=C][Ring1][P][C][=N][Ring2][Ring1][=Branch1] |
CHEMBL4281811 | [C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C@H1][Branch1][C][C][N][C@H1][Ring1][Branch2][C] |
CHEMBL4281890 | [C][O][C][=C][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1][C][Branch1][C][O][=C][Ring1][N][O][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O] |
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