chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4277699 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][NH1][C][Ring1][O][=O] |
CHEMBL4277700 | [C][O][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=N][Ring2][Ring1][C][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4277701 | [C][C][=C][C][Branch1][Ring1][C][#N][=C][C][Branch1][C][C][=C][Ring1][=Branch2][O][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][C][=C][Ring1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N] |
CHEMBL4277702 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4277703 | [C][C][C][O][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][Cl][Cl][C][=C][Ring1][O] |
CHEMBL4277774 | [C][C][C][S][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=C][N][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=N][Ring2][Ring1][#C] |
CHEMBL4277777 | [C][C][C][C][C][C][C@@H1][Branch1][C][C][C][C@@H1][Branch1][C][C][/C][=C][/C][Branch1][C][N][=O] |
CHEMBL4277778 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4277779 | [Cl].[N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][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] |
CHEMBL4277780 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][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@@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] |
CHEMBL4276713 | [C][C][C][C][C][C][N][C][Branch1][C][N][=N][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][C][C][C][C][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2][Ring2][Ring1][Branch2].[Cl] |
CHEMBL4276714 | [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][O][N][=Ring1][Branch1] |
CHEMBL4276715 | [C][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2] |
CHEMBL4276716 | [C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=N][C][=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] |
CHEMBL4276789 | [O][=C][C][C][C][N][Ring1][Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4276790 | [C][C][C][Branch1][=N][O][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][N][N][=C][N][=C][Branch2][Ring2][O][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][F][C][=Ring2][Ring2][O][Ring2][Ring1][=C] |
CHEMBL4276791 | [C][O][C][=C][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][N][Branch1][C][C][C][=C][Ring2][Ring1][O] |
CHEMBL4276792 | [C][O][C][=C][C][Branch2][Ring2][#C][/C][=C][Branch2][Ring1][Branch1][\C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][Ring1][=N][=C][C][=C][Ring2][Ring1][P][O] |
CHEMBL4276793 | [C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][=N][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=N][C][=C][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][=C] |
CHEMBL4276794 | [C][C@][C][C][C@H1][Branch2][Ring1][S][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Se][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][C][C@H1][Ring2][Ring1][O][C][C][C@@H1][C@@H1][Ring2][Ring1][#C][C@H1][Branch1][C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C@@H1][Branch1][N][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1][C][C][C@][Ring2][Ring1][Ring1][Ring1][=N][O] |
CHEMBL4276795 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][/C][=N][/N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][O][C] |
CHEMBL4276881 | [C][O][C][=C][C][Branch2][Ring1][N][/C][=C][\C][=Branch1][C][=O][O][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C][=Branch1][C][=O][C][N][Branch1][C][C][C] |
CHEMBL4276882 | [C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch2][=Branch1][Ring2][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring2][P] |
CHEMBL4276883 | [C][/C][=Branch1][#C][=N][\N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][Branch2][Ring1][Ring2][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][C][=C][Ring1][#C] |
CHEMBL4276884 | [O][=C][Branch2][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][Branch1][C][F][=C][Ring1][S] |
CHEMBL4276885 | [C][C][Branch1][C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][=C][=O][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][#C][C][O][C][=N][O][C][C][Ring1][Branch1].[Br-1].[Br-1] |
CHEMBL4276962 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][S][C][=Branch1][C][=S][N][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4276963 | [C][C][C][C][C][C][C@@H1][Branch1][C][C][C][C@@H1][Branch1][C][C][/C][=C][/C][=Branch1][C][=O][N][C@@H1][C][C@][Branch1][=Branch1][O][C@@H1][Ring1][Branch1][O][C@H1][O][C@H1][Ring1][Ring1][C@@][Branch1][C][O][Branch1][#Branch1][C][C][Branch1][C][C][=O][C@H1][O][C@H1][Ring1][Ring1][Ring1][S] |
CHEMBL4276964 | [O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][C][C@H1][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL4276965 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][S][N][C][=C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][C][=N][Ring1][P][=C][Ring2][Ring1][#Branch2] |
CHEMBL4276966 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][Ring1][P][C][C][Ring1][Ring1] |
CHEMBL4277048 | [C][N][C][C][N][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][O][C@@H1][C][C@@H1][C][C][C@@][Ring1][=Branch1][Branch1][C][C][C][Ring1][=Branch1][Branch1][C][C][C][C][C][Ring2][Ring1][Branch1] |
CHEMBL4277049 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=S][N][/N][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4277050 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=N][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][Ring2][Ring1][C][Ring1][=C] |
CHEMBL4277051 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][O][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][O][C][=N][O][N+1][Branch1][C][O-1][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring2][C] |
CHEMBL4277052 | [C][C@@H1][Branch2][Ring2][N][N][C][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=N][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][C][C][Ring1][Ring1] |
CHEMBL4277128 | [C][C][C][C][C][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4277129 | [C][O][C][=C][Branch1][#C][/C][=C][/C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring2][Ring1][=Branch2][O][C][O][Ring1][Branch1] |
CHEMBL4277130 | [C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][N][=C][N][=C][Branch2][Ring2][O][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][F][C][=Ring2][Ring2][Ring2][Ring2][Ring1][=C] |
CHEMBL4277131 | [C][O][C][=C][C][=C][Branch1][P][N][N][=N][C][=C][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][=C][Ring1][S] |
CHEMBL4277132 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][/N][=C][\C][=C][C@][C][C@H1][C][C@H1][Branch1][O][O][C@@][Ring1][Branch1][Branch1][C][C][C][Ring1][=Branch2][C@H1][Ring1][#Branch2][C@][Ring1][=C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][O] |
CHEMBL4277133 | [N][C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CHEMBL4277217 | [O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4277218 | [C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch2][Ring1][Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4277219 | [C][O][C][O][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][C][=C][Branch2][Branch1][#Branch2][C][=C][C][=C][Branch2][Ring2][=C][O][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][Ring1][O][C][Ring2][Ring2][#Branch2][=C][Ring2][Branch1][=Branch1] |
CHEMBL4277220 | [C][C][N][C][=C][Branch2][Ring1][#C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][=Branch2][O][C][C][Branch1][C][O][C][O][C][Branch1][C][C][=C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][O] |
CHEMBL4277221 | [C][=C][Branch2][Ring2][=Branch2][C][N][C][=N][C][Branch2][Ring1][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][=N][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O][C][Branch1][C][C][C] |
CHEMBL4277222 | [C][O][C][=Branch1][C][=O][C@][C][=Branch1][C][=O][C@H1][Branch1][C][C][O][C@@H1][O][C][=Branch1][C][=O][C@][Branch1][C][C][Branch2][Ring2][Ring2][C][C@H1][C@@H1][Branch1][C][C][C][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=C][C@@H1][Branch1][C][O][C@@][Ring1][S][Ring2][Ring1][=N][C][C@@H1][Ring2][Ring1][=Branch2][Ring2][Ring1][#C] |
CHEMBL4277223 | [C][O][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C@][C][O][C][=C][C][=Branch2][Ring2][=C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][Ring1][=Branch2][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][C][C@][Branch1][C][C][Branch1][C][O][C][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][P][O][C][O][Ring2][Ring1][#Branch2] |
CHEMBL4277309 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][N][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4277310 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][O][C][C][=C][N][Branch1][Ring2][C][C][O][N][N][Ring1][Branch2][C][=C][Ring1][S][=N][Ring2][Ring1][=N] |
CHEMBL4277311 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][C][C][N][C][C][C][C][C][C][Ring1][#Branch1] |
CHEMBL4277312 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][C][#N][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4237402 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=C][N][=C][O][Ring1][Branch1][C][=C][Ring1][O][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4237409 | [C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Branch2][Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][C@H1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][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][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][N][Branch1][C][C][C][N][C][Ring2][Branch1][Ring1][=O][C@@H1][Branch1][C][C][O] |
CHEMBL4237410 | [O][=C][Branch2][Branch1][C][C][C][C][C][C][N][C][=C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][N][=N][Ring2][Ring1][#Branch2][N][O] |
CHEMBL4237416 | [C][C][N][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][C][O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2][C][=C][Ring1][=C][C][=Ring1][P][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4237419 | [C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Ring1][=N][=C][\C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] |
CHEMBL4237424 | [C][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][N][Branch1][C][C][C] |
CHEMBL4237650 | [C][C][Branch1][C][C][=C][C][C@@][C][C@H1][C][=Branch1][C][=O][O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][N][C@@H1][Ring1][#C][N][Branch1][Ring1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] |
CHEMBL4237659 | [O][=C][Branch1][P][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Br][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][F] |
CHEMBL4237663 | [N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][/C][=Branch1][P][=C][\C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][Ring2][Ring1][#Branch1][=O] |
CHEMBL4237666 | [C][=C][C][=Branch1][C][=O][C@@][C][C@@H1][Ring1][=Branch1][C][C][C@@H1][Ring1][=Branch1][C@@][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][=Branch2][C][O][C][Ring2][Ring1][C][=O] |
CHEMBL4237927 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][=C][Ring1][P][Ring2][Ring1][=Branch1] |
CHEMBL4237943 | [O][=C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring2][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] |
CHEMBL4237946 | [C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring2][Ring1][O] |
CHEMBL4237949 | [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][F][C][C][Ring2][Ring1][S] |
CHEMBL4237950 | [C][C][O][P][=Branch1][C][=O][Branch2][Ring1][=Branch2][C][C][C][N][C][=Branch1][C][=S][S][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][O][O][C][C] |
CHEMBL4237952 | [C][O][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4238219 | [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][=N][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] |
CHEMBL4238220 | [C][N][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][NH1][Ring1][=C][C][=C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][#Branch2] |
CHEMBL4238224 | [C][C][=C][C][C@H1][C@H1][Branch1][Ring2][C][Ring1][=Branch1][C][=C][Branch1][C][O][C][=C][Branch1][P][/C][Branch1][C][C][=N][/O][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1][O][C][Ring2][Ring1][Branch2][Branch1][C][C][C] |
CHEMBL4238230 | [O][=C][Branch2][Ring2][C][N][C][C][N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] |
CHEMBL4238481 | [C][O][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][/N][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] |
CHEMBL4238482 | [O][=C][Branch1][C][O][C][C@@H1][Branch2][Ring1][=C][C][N][C][C][C@@H1][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][C][C][Ring1][#Branch1][C][Ring1][P][C][=C][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][=Branch2] |
CHEMBL4238484 | [C][O][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][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL4238489 | [C][O][C][=C][C][=C][Branch2][Ring2][=N][/C][=C][/C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N+1][Branch1][C][O-1][=C][Ring1][#Branch2][Ring1][=Branch1][C][C@H1][Ring2][Ring1][C][C][=Branch1][C][=O][N][O][C][=C][Ring2][Ring1][S][O][C] |
CHEMBL4238490 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][Ring1][C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2] |
CHEMBL4238492 | [C][C@H1][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#C][O][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][S][N][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4238788 | [O][=C][Branch1][C][O-1][C][=C][C][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][=C][Ring1][O][O].[K+1] |
CHEMBL4238792 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4238798 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][NH1][C][Branch1][C][C][=C][C][Ring1][=N][=Ring1][=Branch1][=C][Ring2][Ring1][Ring1][C] |
CHEMBL4238799 | [C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=N][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N] |
CHEMBL4238800 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][#C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4239069 | [C][C][=C][C][=C][Branch2][Ring1][#C][N][C][=N][C][Branch1][C][N][=N][C][Branch1][P][N][C][=C][Branch1][C][Br][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Br][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4239070 | [C][C][Branch1][C][C][=C][C][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][=N][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][O][O][Ring1][P] |
CHEMBL4239073 | [O][=C][Branch1][S][C][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][N][O] |
CHEMBL4239077 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][#C][=C][Branch1][C][C][C][Ring2][Ring1][P][=Ring2][Ring1][=Branch2] |
CHEMBL4239332 | [C][C][Branch1][C][C][C][C@][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4239335 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][=C][Ring1][N] |
CHEMBL4239342 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][C][Branch1][C][C][C][Ring1][O][C][C][Ring2][Ring1][=Branch1] |
CHEMBL4239347 | [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][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4239352 | [C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][N][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Ring1][#Branch2][Ring1][=N] |
CHEMBL4239634 | [C][=C][C][=Branch1][C][=O][N][C@@H1][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] |
CHEMBL4239635 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4239643 | [C][O][C][=C][C][=C][Branch2][Branch1][O][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][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][=Branch2] |
CHEMBL4239644 | [C][C][N][N][=C][Branch1][C][Cl][C][=C][C][Branch1][#C][N][C][=N][NH1][C][=C][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Ring2] |
CHEMBL4239651 | [C][C][C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=Ring1][N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4239903 | [O][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][N][Ring1][S][Ring1][=Branch1] |
CHEMBL4239904 | [N][C][=Branch1][C][=O][C][=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][Ring2][Ring1][S] |
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