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CHEMBL4294743 | [C][C][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Branch2][Branch1][O][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][=C][N][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring1][=C][N][=C][Ring2][Ring1][Branch1][Ring2][Ring1][P][C][C][Ring2][Ring2][#Branch1] |
CHEMBL4294744 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][N][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][C][C][Ring1][=C] |
CHEMBL4294745 | [C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][P][S] |
CHEMBL4294746 | [N][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][N][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4294817 | [C][C][Branch2][Ring2][=Branch1][C][N][N][=C][C][=C][Branch1][=C][N][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Cl][N][=C][Branch1][Branch1][N][C][C][O][N][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4294818 | [O][=C][C][=C][Branch2][Branch1][P][C][=C][C][=C][Branch2][Branch1][Branch1][O][C][C][O][C][C][O][C][C][N][C][=C][Branch2][Ring1][P][C][C][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring1][P][N][=N][Ring2][Ring1][O][C][=C][Ring2][Ring2][#Branch2][O][C][=C][C][=C][C][=C][Ring2][Branch1][Ring2][Ring1][=Branch1] |
CHEMBL4294819 | [C][C][C][C@@H1][Branch1][C][C][N][C][=N][C][=C][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=C][=C][N][Branch1][N][C@H1][C][C][C@H1][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring2][Ring1][#Branch2][=N][Ring2][Ring1][=C] |
CHEMBL4294820 | [C][C][=C][C][Branch2][Ring1][S][C][=N][C][=C][C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][C][N][O][C][Ring2][Ring1][C][=Ring1][=C][=C][C][=N][Ring2][Ring1][Branch2] |
CHEMBL4294821 | [C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch2][Ring1][Ring2][C][N][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][N][=C][\C][C][C@@][Branch1][C][C][O][C@H1][Ring2][Ring1][=Branch2][Ring1][Ring2] |
CHEMBL4294822 | [C][S][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4294823 | [C][O][C][=C][C][=C][Branch2][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][O][C][N][C][=C][C][=C][Branch2][Ring1][N][C][=N][C][=C][C][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=C][NH1][Ring1][P][C][=C][Ring2][Ring1][#Branch1][F][C][=C][Ring2][Ring1][S][C][=C][Ring2][Ring2][=Branch2][Br] |
CHEMBL4294907 | [C][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][Branch1][P][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
CHEMBL4294908 | [C][C][C][S][C][=N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=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][=Branch2] |
CHEMBL4294909 | [C][O][C][=C][C][=C][O][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Branch1][C][C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4294910 | [C][O][C][=C][C][Branch2][Ring2][Branch1][C][N][=C][Branch1][C][N][N][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][/C][Branch1][C][C][=N][\O][C][=C][Ring1][#Branch2][N][=Ring2][Ring1][Ring2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][N][O][C] |
CHEMBL4295002 | [C][=C][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring1][Branch2][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Ring1][O][Branch1][C][C][C][=Branch1][C][=O][O][C][C@@H1][Ring2][Ring1][Ring2][C][/C][=C][\C][=C][O][C][Ring1][Branch1][=O] |
CHEMBL4295003 | [C][C][Branch1][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] |
CHEMBL4295004 | [O][=C][Branch1][C][O][C][C][=C][C][=C][O][C][Branch2][Branch1][Branch2][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][#Branch2][O][Ring1][=N][C][=C][Ring2][Ring1][Ring1][F][C][Branch1][C][F][=C][Ring2][Ring1][#C][=N][C][Ring2][Ring2][Ring2][=C][Ring2][Ring2][Branch2] |
CHEMBL4295005 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][S] |
CHEMBL4295006 | [C][C@][C][C@@][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch2][Ring1][O][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][C@@H1][Ring2][Ring2][=Branch1][C@H1][Branch1][#Branch2][C][C@H1][Ring2][Ring2][O][C][Ring2][Ring2][#Branch2][O][Ring2][Ring2][=N] |
CHEMBL4295007 | [C][C][=C][C][=C][O][C][Branch2][=Branch1][#Branch2][C][=C][C][=C][Branch2][Branch1][=C][O][C][C][C][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][#C][=C][C][=Branch1][C][=O][C][Ring2][Branch1][=Branch1][=C][Ring2][Branch1][#Branch2] |
CHEMBL4295008 | [C][N][Branch1][C][C][C][C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][#C][NH1][Ring2][Ring1][C] |
CHEMBL4295091 | [C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][C][C][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch1][C][C][Branch1][O][C][C][C][C][C][C][=Branch1][C][=O][O][=C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4295092 | [C][C][Branch1][C][C][C][C][C][=C][Branch2][Ring2][Ring2][O][C][=C][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][C][Ring2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][=C][=O] |
CHEMBL4295093 | [C][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][=N][Ring2][Ring1][Ring2] |
CHEMBL4295094 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Ring1][#Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl] |
CHEMBL4295095 | [O][=C][NH1][C][Branch1][=N][S][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] |
CHEMBL4295096 | [O][=C][Branch1][S][N][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][S][Ring1][Branch2][N][C][=C][C][Branch1][C][F][=N][C][=C][Ring1][#Branch1][C][O] |
CHEMBL4295097 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][=C][/C][=C][\C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][=Branch2][C][N][Ring1][N][C][Ring1][S][=O][C@@H1][Ring1][=C][Ring1][#Branch2][=C][N][Ring2][Ring1][=Branch2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4295172 | [O][=C][Branch2][Ring2][Branch1][O][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][=C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4295173 | [Cl].[Cl].[Cl].[Cl].[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][O][C][C][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][N][C][Branch1][C][N][=C][Ring2][Ring1][Branch2] |
CHEMBL4295174 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch1][C][O][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C@H1][Ring1][#Branch2][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O] |
CHEMBL4295175 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][N][C][C][Ring1][Ring1] |
CHEMBL4295253 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][C][=C][N][Branch1][P][C][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][=N][Ring1][#C][=C][Ring2][Ring1][Branch1] |
CHEMBL4295254 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][O][C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4295255 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Branch2][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][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][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][C][Branch3][Ring1][C][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][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][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][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][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][C][Branch2][#Branch2][S][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][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][Branch1][C][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C] |
CHEMBL4297084 | [C][C][=C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL4297253 | [C][O][C][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=C][Branch1][C][Cl][C][Branch2][Branch1][=Branch1][O][C][=Branch1][C][=O][O][C@H1][C][C][C@@][Branch1][C][C][C][=Branch2][Ring1][P][=C][C][C@@H1][C@@H1][Ring1][#Branch1][C][C][C@@][Branch1][C][C][C@H1][Ring1][#Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][Ring2][Ring1][O][=C][Ring2][Ring2][#Branch2][Cl] |
CHEMBL4297369 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N] |
CHEMBL4297371 | [2H][C][Branch1][C][2H][Branch1][C][2H][C@H1][Branch1][C][O][C][Branch1][C][2H][Branch1][C][2H][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][N][Ring1][Branch1][C][N][Branch1][C][C][C][Ring1][N][=O] |
CHEMBL4297375 | [C][C][=C][N][=C][Branch2][Ring1][Ring1][C][S@@+1][Branch1][C][O-1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N-1][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][O][C][C][C][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][Branch2].[Na+1] |
CHEMBL4297376 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][NH1][C][=C][Branch1][Ring1][C][#N][C][Ring2][Ring1][#Branch1][=Ring1][#Branch1] |
CHEMBL4297377 | [C][C][C][=Branch1][C][=O][N-1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Br][C][Branch1][P][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][=C][Ring1][P][F][C][Branch1][C][Cl][=C][Ring2][Ring1][=N].[Na+1] |
CHEMBL4297619 | [O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][N][=C][Ring2][Ring1][C][Ring1][Branch1] |
CHEMBL4297621 | [C][C@@H1][Branch2][Ring1][O][N][C@H1][C][C][N][Branch1][P][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][Ring1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4297623 | [N][C][=Branch1][C][=O][/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][=C][N][=C][N][=C][Ring1][=Branch1] |
CHEMBL4297625 | [C][C][C][=C][C][=C][Branch2][Ring1][Ring2][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][=C][Ring1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] |
CHEMBL4293955 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C][S][C][=N][N][=C][S][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][=N] |
CHEMBL4293956 | [C][N][C][=Branch1][C][=O][/C][=C][/C][=C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][Ring1][#C][O][C][O][C][O][Ring1][Branch2] |
CHEMBL4293957 | [O][=C][Branch2][Ring1][Ring2][C][C][C][C][C][N][Se][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][N][O] |
CHEMBL4293958 | [C][C][=Branch1][C][=O][O][C@@H1][C][C][C@@][Branch1][C][C][C@@H1][C][C][C@][Branch1][C][C][Branch1][Ring1][C][O][C][=C][Ring1][=Branch2][C][C][C@@H1][Ring1][=C][C][Ring2][Ring1][C][Branch1][C][C][C] |
CHEMBL4294035 | [C][N][Branch1][C][C][C@H1][C][C][C@H1][Branch1][#C][N][C][=N][C][=N][C][=C][S][C][=C][Ring1][=Branch2][Ring1][Branch1][C][C][Ring1][S] |
CHEMBL4294036 | [C][S][C][=C][C][=C][Branch1][Branch2][/C][=C][\N+1][=Branch1][C][=O][O-1][C][=C][Ring1][O] |
CHEMBL4294037 | [O][=C][Branch2][Ring1][=Branch2][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4294038 | [N][C][O][C][=C][Branch1][#C][C][=C][C][Branch1][C][F][=N][C][Branch1][C][F][=C][Ring1][Branch2][N][=C][C][=C][Ring1][=C][C][=Ring1][P][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4294039 | [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][O][C] |
CHEMBL4294113 | [C][O][C][=C][C][=C][C][Branch2][Ring1][P][C][=C][C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2][F][=N][O][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4294114 | [C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4294115 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] |
CHEMBL4294116 | [C][C][Branch1][C][O][C@@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][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] |
CHEMBL4294117 | [C][C][C][C][=Branch1][C][=O][C][=C][Branch1][Ring2][C][Ring1][#Branch1][N][C][=C][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][Ring1][#C][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N][Ring1][Branch2][C] |
CHEMBL4294199 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring2][N][C][=C][C][Branch1][C][Cl][=C][N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][C][C][=C][Ring2][Ring1][=N] |
CHEMBL4294200 | [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@H1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][N] |
CHEMBL4294201 | [N][#C][/C][=Branch1][S][=C][\C][=C][N][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL4294202 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][Branch1][C][O][C][N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][O][Ring2][Ring1][=Branch1] |
CHEMBL4294300 | [N][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][N][=N][N][Ring1][#C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CHEMBL4294301 | [C][O][C][C@H1][Branch1][C][C][N][C@H1][C][C][C@H1][Branch2][Ring2][Ring2][N][C][=C][C][Branch2][Ring1][Ring2][C][=C][S][C][Branch1][O][N][C][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][=N][=C][Branch1][C][Cl][C][=N][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][O] |
CHEMBL4294302 | [N][C][=Branch1][C][=O][C][=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][Ring2][Ring1][=Branch2] |
CHEMBL4294303 | [C][=C][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C@][C][Branch1][Branch1][C][Ring1][=Branch1][=O][C@@H1][Branch1][Ring1][O][C][C@@H1][C][C@H1][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][O][C@@][Ring1][#C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][Ring1][=C][=O] |
CHEMBL4294304 | [C][O][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][C][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring1][#C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring2][Ring1][=N][C][C][N][C][Branch1][C][C][=O] |
CHEMBL4294305 | [C][=C][C][=Branch1][C][=O][O][C@@H1][C][C@@][Branch1][C][C][C][C][C@@H1][Branch2][Ring1][#C][O][Si][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=C][C@@H1][Ring2][Ring1][#Branch2][C][C@H1][Ring2][Ring2][C][Ring2][Ring1][=C] |
CHEMBL4294389 | [C][O][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][=C][C][=C][Ring1][O][O][Ring1][S][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4294390 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][C][=C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][N][=Ring1][P][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4294391 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][Branch2][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][S][/C][=Branch2][Ring1][Branch2][=C][\C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][C][Ring2][Ring1][Branch1][=O][C][=C][Ring2][Ring1][N][C][C][Ring2][Ring2][#Branch1] |
CHEMBL4294392 | [C][O][C][=Branch1][C][=O][C@@][Branch1][C][C][C][=Branch1][C][=O][/C][=Branch1][#Branch1][=C][/C][=Branch1][C][=O][O][C][C@@][Branch1][C][C][C@H1][Ring1][=N][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch1][C][C][C][C][C@][Ring1][=N][Ring2][Ring1][Ring1][C] |
CHEMBL4294393 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=C][C][=C][C][=C][N][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][O][Ring1][=C] |
CHEMBL4294394 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][O][Ring1][=N][N][=Ring2][Ring1][Branch1] |
CHEMBL4294478 | [C][C][C][C][=N][N][Branch1][C][C][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] |
CHEMBL4294479 | [C][C][C][=C][C][=C][Branch2][Ring1][P][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring1][N][C][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][S][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4294480 | [C][#C][C][=C][C][Branch2][Ring1][N][N][C][=C][Branch1][C][N][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][Ring1][S][Ring1][N][=C][C][=C][Ring2][Ring1][#Branch1][F] |
CHEMBL4294481 | [C][C@H1][Branch2][Ring1][#Branch1][O][C][=C][N][=C][C][Branch1][N][C][=C][C][=C][Branch1][Ring1][C][#N][S][Ring1][#Branch1][=C][Ring1][=N][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][Cl] |
CHEMBL4294570 | [C][N][Branch1][C][C][C][C][N][Branch2][Ring1][=Branch2][C][C][C][C][C][N][Branch1][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Branch1][C][O][C][Ring1][#Branch1][=N][Ring1][O] |
CHEMBL4294572 | [C][C@H1][C@@H1][Branch1][C][N][C@H1][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl] |
CHEMBL4294573 | [C][=C][C][C][C@@H1][C@][Branch1][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][C@@][Ring2][Ring1][Branch1][Branch1][C][C][C@@H1][Ring2][Ring1][#Branch2][/C][=C][/C][=C][C][O][C][Ring1][Branch1][=O] |
CHEMBL4294574 | [C][C@@H1][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][Ring2][C][Ring1][Ring2][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][C][C][Ring1][Ring1] |
CHEMBL4294575 | [N][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][Ring1][=Branch2] |
CHEMBL4294658 | [C][C][=C][C][=C][O][C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][=N][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] |
CHEMBL4294659 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][Ring2][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][=C][N][=C][Ring2][Ring1][Ring1][NH1][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4294660 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch2][Ring2][#Branch1][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][Ring1][N][=C][Ring2][Ring1][Branch1][=C][C][=C][Ring2][Ring1][S][Ring2][Ring1][N] |
CHEMBL4294661 | [C][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch1][C][O][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C@H1][Ring1][#Branch2][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][C] |
CHEMBL4294662 | [C][N][Branch1][C][O][C][=Branch1][C][=O][C][C][C][P][=Branch1][C][=O][Branch2][Ring1][#Branch2][O][C][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][O][C][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N] |
CHEMBL4294663 | [O][=C][Branch1][C][O][/C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][P][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL4294747 | [F][C][Branch1][C][F][Branch1][C][F][C][NH1][N][=N][C][=Ring1][Branch1][C][=C][C][=N][C][Branch2][Ring1][#Branch2][C][=C][N][Branch1][P][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=N][Ring1][P][=C][Ring2][Ring1][#Branch1] |
CHEMBL4294748 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch2][Ring1][N][=C][/C][NH1][N][=C][C][=Ring1][Branch1][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][=N][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2] |
CHEMBL4294749 | [C][O][C][=N][S][N][=C][Ring1][Branch1][C][=Branch1][C][=O][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] |
CHEMBL4294750 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][C][C@@H1][C@][Ring1][O][Branch1][C][C][C][C][C][C@@][Ring1][#Branch1][Branch1][C][C][C][N] |
CHEMBL4294824 | [C][N][C][N][C][C][C][N][C][C][C][C][=Branch1][Ring2][=N][Ring1][N][C][Ring1][#Branch1][Ring1][O] |
CHEMBL4294825 | [C][O][C][=C][C][=C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][C][=C][C][=C][C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][=C][Ring1][=C][C][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][N] |
CHEMBL4294826 | [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] |
CHEMBL4294827 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][#Branch1][=C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][C][C][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][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][N][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][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][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][Branch2][O][Branch1][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][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][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][C][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][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] |
Subsets and Splits