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CHEMBL4294808 | [O][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][S][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][N][Ring2][Ring1][#Branch1][Ring1][#C] |
CHEMBL4294809 | [O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][NH1][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][C][O][=C][Ring2][Ring1][Ring2][O] |
CHEMBL4294810 | [C][=C][C][Branch1][C][O][C][#C][C][#C][C][Branch1][#Branch2][/C][=C][\C][C][C][C][C][C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] |
CHEMBL4294811 | [C][C][Branch1][C][C][N][Branch2][Ring2][Ring1][C][C][Branch1][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4294895 | [C][N][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][=Ring2][Ring1][=Branch1][C][Branch1][C][N][=O] |
CHEMBL4294896 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][N][/C][=C][\C][=Branch1][C][=O][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][=C][C][=C][C][=C][N][Ring1][P][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4294897 | [C][C][C][S][C][=C][Branch1][Branch1][S][C][C][C][C][=Branch1][C][=O][N][Branch2][=N][O][C][C][=C][N][Branch2][N][#C][C][C][=Branch1][C][=O][N][C@@H1][C][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@@H1][Branch2][Ring1][#Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][C][Branch1][C][C][=O][C@H1][N][C][=Branch1][C][=O][C@H1][Branch2][Branch1][C][N][C][Branch1][C][O][C@@H1][Ring2][Ring2][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][N][C][Ring2][Branch1][Branch2][=O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][Ring2][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][Ring2][Branch1][Ring2][=O][N][=N][Ring2][Branch2][#Branch1][C][Ring2][=Branch2][C][=O] |
CHEMBL4294898 | [C][C][C@@H1][C][C][=C][C][Branch1][Ring1][O][C][=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] |
CHEMBL4294899 | [F][C][Branch1][C][F][C][C][C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=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][=N][C][Ring2][Ring2][Ring2] |
CHEMBL4294900 | [C][C][=C][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring2][Ring1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4294990 | [N][#C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4294991 | [O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Branch1][=N][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C] |
CHEMBL4294992 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4294993 | [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][Branch1][C][O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C] |
CHEMBL4294994 | [O][=C][Branch1][N][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][O] |
CHEMBL4295079 | [Cl].[N][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][S][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4295080 | [O][=C][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][#C][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][S][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][N][C][C][Ring1][=N] |
CHEMBL4295081 | [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][=C][C][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@H1][Branch1][C][N][C][Ring1][Branch2][C][=N][Ring2][Ring2][C] |
CHEMBL4295082 | [C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][Ring1][P] |
CHEMBL4295083 | [C][C][Branch1][C][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][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] |
CHEMBL4295084 | [C][O][C][=C][C][Branch2][Ring2][Ring1][/C][=C][/C][=Branch1][C][=O][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][Branch2][O][C][C][O][C][C][N][C][Branch1][Ring1][O][C][=C][Ring1][#C][=C][C][=C][Ring2][Ring1][=C][O][C][C][O][C][C][N].[Cl].[Cl] |
CHEMBL4295163 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][=N][C][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][N][Ring2][Ring1][Ring2][C][=Ring2][Ring1][Branch2] |
CHEMBL4295164 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][Branch2][Ring1][Branch1][/C][=C][/C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][=C][C][=C][C][=C][N][Ring2][Ring1][#Branch1][Ring1][=Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4295165 | [C][C][N][C][C][N][Branch2][Ring1][=N][C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][Ring2][Ring1][#Branch2] |
CHEMBL4295166 | [C][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] |
CHEMBL4295241 | [C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][=N][C][=C][Ring1][P][C][Branch2][Ring1][Ring2][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring1][O][=C][N][Ring1][S][C] |
CHEMBL4295242 | [C][O][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2][O][C] |
CHEMBL4295243 | [N][#C][C][Branch2][Branch1][N][C][=C][C][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C@H1][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=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][Branch2][=C][C][=N][Ring2][Ring1][#C][C][C][Ring2][Ring2][C] |
CHEMBL4295244 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring2][Ring1][C] |
CHEMBL4297337 | [11CH3][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][S][C][C@H1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][C][Ring1][P] |
CHEMBL4297338 | [C][C][=C][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][Branch2][18F][C][=Branch1][C][=O][NH1][C][Ring1][S][=O] |
CHEMBL4297344 | [F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][C][=C][Branch1][C][Cl][C][Ring1][#Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][C] |
CHEMBL4297345 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][Branch1][Branch2][C][C][N][C][C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][Branch1][C][O][=C][Ring2][Ring1][=Branch1].[Cl] |
CHEMBL4297543 | [C][O][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] |
CHEMBL4297544 | [C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][C][C][C][C] |
CHEMBL4297582 | [O][=C][Branch2][Ring2][P][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C@H1][Branch1][=N][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1][N][O] |
CHEMBL4297585 | [C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][=N][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C] |
CHEMBL4297587 | [C][C][NH1][C][Branch2][Ring1][Branch1][/C][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][O][=C][Branch1][C][C][C][=Ring2][Ring1][C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][#Branch2] |
CHEMBL4297591 | [N][C][=C][Branch2][Ring1][P][C][=C][C][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][C][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C][=N][O][Ring2][Ring1][Ring2][C][=C][C][=N+1][Ring2][Ring1][#Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O] |
CHEMBL4297596 | [C][N][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring2][=N][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch1][C@@H1][C][C][C][=C][Ring1][Branch1][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][#Branch1][=O][=C][C][=C][Ring2][Ring1][=C][Ring2][Ring2][C] |
CHEMBL4297603 | [2H][C][Branch1][C][2H][Branch1][C][2H][C][Branch2][Ring2][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Branch2][O][Branch1][=Branch2][C][Branch1][C][2H][Branch1][C][2H][2H][C][Branch1][C][2H][Branch1][C][2H][2H] |
CHEMBL4293946 | [O][=C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][Ring2] |
CHEMBL4293947 | [N][#C][C][=C][N][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=C][Ring1][#C][N][C][C@@][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C@H1][Branch1][C][N][C@H1][Branch1][Ring2][C][Ring1][Branch2][C][Ring1][O] |
CHEMBL4293948 | [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] |
CHEMBL4293949 | [O][=C][Branch1][#C][N][/N][=C][/C][=C][C][=C][Branch1][Ring1][C][O][O][Ring1][#Branch1][C][=C][C][=C][O][Ring1][Branch1] |
CHEMBL4294026 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][=C][Branch1][C][C][S][Ring1][#C] |
CHEMBL4294027 | [O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N][=O] |
CHEMBL4294028 | [C][C][N][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][O][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
CHEMBL4294029 | [C][C@@H1][C@H1][C][=C][C][C@@H1][C@@][Branch1][C][C][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][N][C][C][C@@][Ring1][S][Branch1][C][C][C@][Ring2][Ring1][Branch1][Branch1][C][C][C][C][C@@][Ring2][Ring1][#Branch2][Branch1][N][C][=Branch1][C][=O][N][C][=C][N][=C][Ring1][Branch1][C][C][C@H1][Ring2][Ring2][Branch1][C] |
CHEMBL4294101 | [C][O][C][=Branch1][C][=O][C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch2][Ring1][=C][O][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4294102 | [C][C][=C][C][=C][C][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][=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][Ring2][Ring2][#Branch1] |
CHEMBL4294103 | [C][C][C][Branch1][Ring1][C][C][O][C@@H1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C@H1][Ring1][=C][N][C][Branch1][C][C][=O] |
CHEMBL4294104 | [C][C][=C][C][=C][C][Branch2][Ring2][=Branch2][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][C][O][=N][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][Ring1][P][Ring2][Ring1][Branch2][=C][Ring2][Ring1][#C] |
CHEMBL4294105 | [C][O][C][=C][C][=C][Branch2][Ring2][=C][C][=Branch1][C][=O][/C][=C][\N][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][S][Ring1][#C][C][=C][Ring2][Ring1][Branch1][C][C][=C][Ring2][Ring1][P][N+1][=Branch1][C][=O][O-1] |
CHEMBL4294106 | [C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C@H1][C@@H1][Branch1][Branch1][C][Ring1][=Branch1][=O][C@@H1][C][C][C][N][Ring1][Branch1][C@H1][Ring1][#Branch2][C][=C][O][C][Branch1][O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][=N][Ring1][O] |
CHEMBL4294107 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][Branch1][N][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][C][Ring1][=C][N][=C][Ring2][Ring1][Ring2][O][C][=C][Branch1][C][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][#C][C] |
CHEMBL4294108 | [C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][N][/N][=C][/C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][=C][Branch2][Ring1][C][N][C][C@H1][Branch1][Branch2][C][N][C][Branch1][C][C][=O][O][C][Ring1][#Branch2][=O][C][=C][Ring1][P][F][C][=C][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][S] |
CHEMBL4294190 | [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][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
CHEMBL4294191 | [C][C@@H1][C][C][C@H1][C@@H1][Branch1][C][C][C@@H1][Branch2][#Branch1][Ring1][O][C][C][N][C][C][N][Branch2][=Branch1][Ring2][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][C][C][C][O][C][C][Ring1][=Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][P][C][Branch1][#C][O][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][Ring2][Ring2][#Branch1][C][C][Ring2][Ring2][=N][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@@H1][Ring2][Branch1][#C][C@@][Ring2][Branch1][=N][Ring1][Branch2][O][Ring1][#Branch1] |
CHEMBL4294192 | [F][C][=C][C][=C][Branch2][Ring1][S][C][=C][S][C][Branch2][Ring1][Branch1][N][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring1][=C][=N][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4294193 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][N][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][N][=C][Ring1][Branch2][=N][Ring1][S][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2].[Cl] |
CHEMBL4294194 | [C][C][C@@H1][Branch2][Branch1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][C@@H1][O][C@@H1][Branch2][Ring1][Branch2][C@@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C@@H1][Ring2][Ring1][Branch1][C][C@H1][O][C@][Branch2][Branch1][C][C][=C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][Branch2][Ring1][#C][C][C][C@@][Branch1][C][C][Branch2][Ring1][Ring1][C@H1][C][C][C@][Branch1][C][O][Branch1][Ring1][C][C][C@H1][Branch1][C][C][O][Ring1][#Branch2][O][Ring1][S][O][Ring2][Ring1][=Branch2][C@H1][Branch1][C][C][C][C@@H1][Ring2][Ring1][#C][C] |
CHEMBL4294286 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch1][N][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][Ring2][Ring1][C] |
CHEMBL4294287 | [C][C][Branch1][C][C][O][C@H1][O][C@H1][Branch2][Ring2][Ring1][C][N][C][C][C][C][C][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@H1][Branch1][C][O][C@H1][Ring2][Ring1][S][O][Ring2][Ring2][Ring2] |
CHEMBL4294288 | [C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][/N][=C][/C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][=N][N][Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CHEMBL4294289 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][N][=C][N][=C][Ring1][#C][S][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4294290 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4294291 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4294292 | [C][C][Branch1][C][C][O][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Branch1][Ring1][C][=O][N][=C][Ring1][Branch2][Ring1][O][=N][C][=C][Ring2][Ring1][Ring2][C][#N] |
CHEMBL4294378 | [C][O][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][/C][Ring1][=Branch1][=C][/C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4294379 | [C][C][S][C][Branch2][Ring1][Branch2][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][C][=Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4294380 | [O][=C][C][=C][Branch2][Ring2][C][O][C][Branch2][Ring1][=Branch2][C][=C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][=N][Ring1][=C][C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N] |
CHEMBL4294381 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][\N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O] |
CHEMBL4294382 | [C][C][N][C][Branch1][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][C][O][=C][C][=C][Ring1][=C][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] |
CHEMBL4294383 | [N][=C][Branch1][C][N][N][C][C][C][C][N][C][C][=Branch1][C][=O][N][Branch2][O][Ring1][C][C][=Branch1][C][=O][N][Branch2][=Branch2][=C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][C][N][C][=Branch1][C][=N][N][C][C][=Branch1][C][=O][N][Branch2][#Branch1][#Branch1][C][C][=Branch1][C][=O][N][Branch2][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][C][N][C][=Branch1][C][=N][N][C][C][=Branch1][C][=O][N][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4294384 | [C][=C][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring1][Ring2][C][C][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C][C@@][Ring1][=N][Ring1][Branch2][C][C@@H1][Ring2][Ring1][C][C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][O][C][Ring1][Branch1][=O] |
CHEMBL4294466 | [C][C][=Branch1][C][=O][N][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][=C] |
CHEMBL4294467 | [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][Ring2][Ring2][C][=C][C][Branch1][O][C][=N][NH1][C][=Branch1][C][=O][O][Ring1][=Branch1][=C][N][=C][Ring1][N][N][C][C][C][C][Ring1][Branch1][C][N][Branch1][C][C][C][Ring1][Branch2][C][=N][Ring2][Ring2][Ring2] |
CHEMBL4294468 | [Br][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][C][=N][N][=N][N][Ring1][=N][Ring1][Branch1] |
CHEMBL4294469 | [Br][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][N][Branch2][Ring1][C][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4294470 | [C][C][=C][C][Branch1][Ring1][C][#N][=C][C][Branch1][C][C][=C][Ring1][=Branch2][O][C][=N][C][Branch2][Ring1][S][N][C][C][C][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][O][C][C][Ring2][Ring1][C][=N][C][C][=C][S][C][Ring2][Ring1][N][=Ring1][Branch1] |
CHEMBL4294471 | [N][C][=N][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4294472 | [C][O][C][=C][C][=C][Branch2][Branch1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Branch1][O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][Branch1][N][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Branch1] |
CHEMBL4294559 | [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][=N][Ring1][=Branch1] |
CHEMBL4294560 | [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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C][C][=C][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][Ring2][Ring2][N][=O] |
CHEMBL4294561 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@@H1][Branch1][=N][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring2][Ring1][C][O] |
CHEMBL4294562 | [C][N][C][=C][Branch2][Ring1][Branch2][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=N][Ring2][Ring1][=Branch1] |
CHEMBL4294563 | [C][=C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][/C][=C][/C@H1][Branch1][C][C][C][=Branch1][C][=O][C@@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@@][Branch1][C][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Ring1][#Branch1][C@H1][Ring2][Branch1][O][O][C][Branch1][C][C][=O] |
CHEMBL4294564 | [O][=C][Branch1][N][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][O] |
CHEMBL4294646 | [O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][N][=C][/C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][C][Ring2][Ring1][=Branch2][=S] |
CHEMBL4294647 | [C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][=C][C][Branch1][=N][C][Branch1][=Branch1][S@@+1][Branch1][C][C][O-1][C][C][Ring1][=Branch1][=N][C][Branch1][=C][C][=C][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=N][Ring2][Ring1][Branch1] |
CHEMBL4294648 | [O][=C][Branch2][=Branch1][#C][/C][=C][/C][=C][C][=C][Branch2][Branch1][P][O][C][C][C][C][C][=C][N][Branch2][Ring2][P][C][C][O][C][C][O][C][C][O][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][=C][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring2][#Branch1][C][=C][Ring2][Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O] |
CHEMBL4294649 | [O][=C][Branch1][C][O][C][C][C@H1][Branch2][Ring2][C][N][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O] |
CHEMBL4294650 | [C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch2][#Branch1][Ring1][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][#C][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O][C][C][C@][Ring2][Ring1][O][Ring2][Ring1][S][C][C][Ring2][Ring2][#Branch2][Branch1][C][C][C][O][C@H1][Branch2][Ring1][C][C][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Branch1][#C][O] |
CHEMBL4294736 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][/C][=C][/C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][=N][C][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][#Branch1][Br] |
CHEMBL4294737 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][/C][=N][/O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][O][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][Ring2][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][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][O] |
CHEMBL4294738 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][/C][=C][/C][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL4294739 | [C][C][Branch1][C][C][C][C][=C][Branch2][Ring2][Branch1][C][=C][C][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Ring1][C][#N][NH1][Ring1][#Branch1][C][C][Ring2][Ring1][#C].[Cl] |
CHEMBL4294740 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][N][C@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] |
CHEMBL4294741 | [C][C@H1][C@H1][Branch1][C][C][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][=Branch2][=Branch1][Ring1][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][/C][=Branch1][#C][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C@][Branch1][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring2][Ring1][=N][C][C][C@][Ring2][Ring1][P][Ring2][Ring2][#Branch1][C][C@H1][Ring2][Branch1][C][Ring2][Ring2][=N] |
Subsets and Splits