chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4290341 | [C][O][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][S][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4290342 | [C][=C][C@H1][Branch1][C][O][C][C][=N][S][C][Branch2][Ring1][Branch2][C][=C][C][C][S][C@@][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring2][Ring1][Ring2] |
CHEMBL4290343 | [C][C][Branch1][C][C][C][C@@H1][C][N][Branch2][Ring1][=Branch2][C][C][C][C][C@H1][C][N][C][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=C][C][=Branch1][C][=S][N][Ring2][Ring1][Branch2][C][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1] |
CHEMBL4290344 | [C][N][Branch1][P][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1] |
CHEMBL4290443 | [C][C][Branch1][C][C][O][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][O][N][C][=N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O][=N][Ring2][Ring1][Ring1] |
CHEMBL4290444 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=S][N][/N][=C][/C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4290445 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][N][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][Branch1][C][C][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][Branch1][C][C][C] |
CHEMBL4290446 | [C][N][Branch2][Ring1][=Branch1][C][/C][=C][/C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1].[Cl] |
CHEMBL4290522 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][S][C][=C][Ring1][=N][C][C][C][C][C][Ring1][#Branch1] |
CHEMBL4290523 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][=N][O][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N] |
CHEMBL4290524 | [C][C][C][C][C][C][C][C][C][C][C][C@H1][Branch1][P][C][C@H1][O][C][=Branch1][C][=O][C@@H1][Ring1][Branch1][C][C][C][C][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=O] |
CHEMBL4290600 | [F][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][=C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][=N][C][Branch1][N][C][=C][N][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][Ring2][Ring1][Ring2][=C][Ring2][Ring1][N] |
CHEMBL4290601 | [C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=N][N][=C][Branch1][Branch2][S][C][=Branch1][C][=O][C][Cl][O][Ring1][#Branch2][C][=C][Ring2][Ring1][C][S][Ring2][Ring1][Branch1] |
CHEMBL4290602 | [C][N][C][Branch2][Ring2][=Branch2][C][O][P][=Branch1][C][=O][Branch2][Ring1][#Branch1][N][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][C][Cl][C][C][Cl][=C][N][=C][Ring2][Ring1][S][N+1][=Branch1][C][=O][O-1].[I-1] |
CHEMBL4290603 | [C][C][C@H1][Branch2][Ring2][=Branch2][O][C][=N][C][Branch2][Ring1][Branch2][O][C][=C][C][=C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][N][=C][Ring1][Branch2][=C][Ring1][=C][=C][Branch1][C][F][C][=C][Ring2][Ring1][=Branch1][F][C][=Branch1][C][=O][O] |
CHEMBL4290604 | [N][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N] |
CHEMBL4290687 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Ring2][C][C][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch1] |
CHEMBL4290688 | [C][C][C][S][C][=C][C][=C][NH1][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][C][C][N][Branch1][C][C][C][=N][C][Ring1][#C][=C][Ring2][Ring1][Ring1] |
CHEMBL4290689 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Branch2][C][=N][C][Branch2][Ring1][O][N][C][=C][C][=C][C][Branch1][#C][O][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][O][=C][Ring2][Ring1][C][=N][C][=C][Ring2][Ring1][=Branch2][C][C][=C][Ring2][Ring1][S] |
CHEMBL4290690 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C@H1][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][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][Branch2][N] |
CHEMBL4290691 | [O][C][=C][C][=C][Branch1][=C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][#C] |
CHEMBL4290692 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][=Branch1][N][C][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S][=N][C][=C][Ring2][Ring1][#Branch1][Cl][=C][Ring2][Ring1][#C] |
CHEMBL4290693 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch1][N][/N][=C][Branch1][=Branch1][/C][=Branch1][C][=O][Br][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][NH1][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][Ring2][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2] |
CHEMBL4290777 | [C][C][C][C][O][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][O][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4290778 | [C][C][C@H1][Branch1][C][C][C@@H1][C][=Branch1][C][=O][O][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C] |
CHEMBL4290779 | [C][N][C][=C][Branch2][Ring1][P][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][N][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][=C] |
CHEMBL4290780 | [C][C][=C][O][C][=C][C][=C][C][=C][Branch2][Ring2][Ring2][C][Ring1][=Branch1][=C][NH1][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][#C][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][#Branch1][C][C][C][C][Ring2][Ring1][#Branch1][Branch1][C][C][C] |
CHEMBL4290877 | [F][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][C][C][N][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C][=N][O][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] |
CHEMBL4290878 | [N][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Br] |
CHEMBL4290879 | [C][N][N][=C][Branch2][Ring2][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][S] |
CHEMBL4290880 | [C][C][Branch1][C][C][O][C@H1][O][C@H1][Branch2][Ring1][#Branch1][C@@H1][Branch1][Ring2][C][C][O][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Branch1][#C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C@H1][Ring2][Ring1][=N][O][Ring2][Ring1][P] |
CHEMBL4290881 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][Branch1][C][C][C][=N][C][Branch1][C][C][=N][C][C][=C][N][Branch1][C][C][C][Ring1][O][=Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1].[Cl] |
CHEMBL4290882 | [C][C][=C][C][Branch2][Ring1][Branch2][S][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][N][N][=N][C][Branch2][Ring1][Branch2][S][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][N][N][=N][Ring2][Ring2][Ring2] |
CHEMBL4290970 | [C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][C][Branch1][C][C][C][Ring2][Ring1][Ring1] |
CHEMBL4290971 | [N][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
CHEMBL4290972 | [O][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][O][C][=C][Branch1][C][O][C][Branch1][C][O][=C][C][=C][Ring2][Ring1][Ring1][Ring1][Branch2] |
CHEMBL4290973 | [C][C][N][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][N][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] |
CHEMBL4290974 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][Ring1][N][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring2][O][C] |
CHEMBL4290975 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][/C][=C][\C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][=C][N][Ring1][Branch2][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4291066 | [C][C][Branch1][C][C][=C][C][C][=C][Branch2][Ring1][Branch1][O][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL4291067 | [C][=C][C][=C][C][=C][Branch1][Branch2][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Branch2][Ring1][N][C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][Ring1][P][O][C][C][Ring2][Ring1][=Branch2] |
CHEMBL4291068 | [C][S][=Branch1][C][=O][=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] |
CHEMBL4291069 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4291148 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][O][Branch1][S][C][N][C][=N][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][Ring2][Ring1][C] |
CHEMBL4291149 | [F][C][=C][C][=C][C][Branch2][Branch1][Ring1][C][N][C][=N][C][Branch1][=N][N][C][C][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][Branch2][Ring1][#Branch1][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][=N][Ring2][Ring1][N][=C][Ring2][Ring2][Ring2] |
CHEMBL4291150 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][Cl][Cl] |
CHEMBL4291151 | [C][C][Branch1][C][C][O][P][=Branch1][C][=O][Branch1][#Branch1][O][C][Branch1][C][C][C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL4291152 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][C][#N][C][C][Ring1][#Branch2][C][C][Ring1][Ring1].[O][=C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL4291242 | [C][/N][=C][Branch1][Ring1][\N][C][C][=C][C][=C][Branch2][Ring1][S][C][N][C][C][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][/C][=Branch1][Ring1][=N][/C][N][C][C][=C][Ring1][O][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2].[Cl].[Cl].[Cl].[Cl] |
CHEMBL4291243 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][C][Br][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][Branch1][C][Cl][Cl] |
CHEMBL4291244 | [C][C][N][Branch1][Ring1][C][C][C][C].[C][C][N][Branch1][Ring1][C][C][C][C].[O][=C][NH1][/C][=Branch1][N][=N][\O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Ring1][#C][C@@H1][O][C@H1][Branch2][Ring1][Ring1][C][O][P][=Branch1][C][=O][Branch1][C][O][C][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch1][C][O][C@H1][Ring1][S][O] |
CHEMBL4291245 | [C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O] |
CHEMBL4291246 | [O][=C][NH1][C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] |
CHEMBL4291325 | [C][C][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][C][C] |
CHEMBL4291326 | [O][=C][Branch2][Ring1][#Branch1][/C][=C][/C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL4291327 | [O][=C][Branch2][Ring1][=N][O][C][C][C][C][C][N][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][=Ring1][=N][Ring1][P][N][C][=C][N][=C][Ring1][Branch1] |
CHEMBL4291328 | [C][C][=C][C][Branch2][Ring1][N][O][C][C][=N][N][=C][Branch1][P][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][O][Ring1][#C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Ring2][Ring1][=N][=Ring1][Branch2] |
CHEMBL4291407 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][N][O][C] |
CHEMBL4291408 | [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][N][N][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4291409 | [C][C][C][C@H1][Branch2][Branch1][#Branch1][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][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4291410 | [C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch1][S][C][N][C][=C][Branch1][=Branch1][C][C][C][C][C][N][=N][Ring1][#Branch2][=C][\C][C][C@@][Branch1][C][C][O][C@H1][Ring2][Ring1][#Branch1][Ring1][Ring2] |
CHEMBL4291411 | [C][S][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CHEMBL4291494 | [C][C][C][C][Branch1][C][C][O][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4291495 | [C][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] |
CHEMBL4291496 | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][C@][Branch1][C][O][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][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4291497 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring2][Ring1][C][Ring1][Branch2] |
CHEMBL4291569 | [C][C][Branch1][C][O][Branch1][=C][C][N][C][C][C][C][S][Ring1][=Branch1][=Branch1][C][=O][=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] |
CHEMBL4291570 | [C][C][C][C][C][C][C][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N+1][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Br-1] |
CHEMBL4291571 | [Cl][C][=C][C][=C][Branch2][Ring1][P][C][N][=C][C][=C][C][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][=C][N][Ring1][N][C][=Ring1][#C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4291572 | [C][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] |
CHEMBL4291654 | [C][C][=Branch1][C][=O][C][S][C][Branch2][Ring2][=Branch2][N][/N][=C][/C][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][Ring2][Ring1][=Branch1][=O][=N][C][=Ring2][Ring1][=C][C] |
CHEMBL4291655 | [C][C][N][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=N][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] |
CHEMBL4291656 | [C][C][Branch2][Ring2][P][N][C][=N][C][Branch1][P][N][C][=C][C][Branch1][C][F][=C][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][=N][C][Branch2][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=N][Ring2][Ring1][=Branch2][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4291657 | [C][C@H1][Branch2][Ring2][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][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] |
CHEMBL4291658 | [C][=C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][P][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][N][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][#Branch1][C][C][C@][Ring2][Ring1][O][Ring2][Ring1][S][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][N][=O] |
CHEMBL4291659 | [C][O][C][=C][C][=C][C][Branch2][Ring2][#Branch2][C][N][=C][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][N][Ring1][=Branch2][C][=Ring1][N][C][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][Ring1][N][=C][Ring2][Ring1][#C] |
CHEMBL4291743 | [C][C][C][C][N][Branch2][Ring1][S][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][Ring2][Ring1][Branch2][=Branch1][C][=O][=O] |
CHEMBL4291744 | [C][O][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][=C][O][C] |
CHEMBL4291745 | [C][O][C][=C][C][=C][C][Branch2][#Branch1][Ring1][C][O][C][=C][Branch2][Branch1][=C][C][=C][C][=C][Branch2][Branch1][C][O][C][C][O][C][C][N][C][=C][Branch2][Ring1][P][C][O][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][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][P][=O][=C][Ring2][Branch1][#Branch2] |
CHEMBL4291746 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2] |
CHEMBL4291747 | [C][C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][=N][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][=N][Ring2][Ring1][=C] |
CHEMBL4291748 | [C][O][C][=C][C][=N][C][Branch1][=N][N][C][C][C][Branch1][Ring1][O][C][C][C][Ring1][Branch2][=N][C][Branch2][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][N][C][=C][Ring2][Ring1][S][O][C] |
CHEMBL4291828 | [N][#C][C][=C][C][=C][Branch2][Ring2][#Branch2][N][C][C][N][Branch2][Ring1][=C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Ring1][O][C][C][Ring2][Ring1][#Branch1][C][Branch1][C][F][=C][Ring2][Ring1][=C] |
CHEMBL4291829 | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][C][N][Branch1][C][C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring2][Ring1][C] |
CHEMBL4291830 | [C][O][C][=C][C][Branch2][Ring1][Branch2][N][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][=C][Ring2][Ring1][Ring1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C@H1][C][=C][C][=Branch1][S][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][N][Ring1][N][C][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][#Branch2][C@H1][Branch1][Branch1][C][Ring2][Ring2][Branch1][N][Branch1][C][C][C][C][Ring1][Branch2] |
CHEMBL4291831 | [C][#C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4291832 | [O][=C][C@H1][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@H1][Ring2][Ring1][C][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4291910 | [C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C][Ring2][Ring1][C] |
CHEMBL4291911 | [C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][I][C][=C][Ring1][P] |
CHEMBL4291912 | [C][C][=N][C][Branch2][Ring1][=N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][Branch2][Ring1][Branch1][N][C][C][C@H1][Branch1][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][Ring1][N][=N][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][C] |
CHEMBL4291913 | [O][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][=N][NH1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][O] |
CHEMBL4291914 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][=C][Ring2][Ring1][#Branch1] |
CHEMBL4291915 | [C][C][=Branch1][C][=O][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][=Branch1][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][S][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][C@][Ring2][Ring1][Branch1][Ring2][Ring1][#Branch2][C][C][Ring2][Ring2][Ring2][Branch1][C][C][C] |
CHEMBL4292004 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4292005 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][C][Ring2][Ring1][Ring1] |
CHEMBL4292006 | [C][=C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C@@H1][C][C@H1][Branch2][Branch1][Ring2][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C@@H1][Ring2][Ring2][Ring2][Ring2][Ring2][Branch2] |
CHEMBL4292007 | [C][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][Ring1][=N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][S][Ring2][Ring1][=N] |
CHEMBL4292008 | [C][C][=C][Branch1][C][I][C][Branch2][Ring1][Branch1][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N+1][C][Ring2][Ring1][=Branch1][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Branch1][C][C][C][Branch1][C][I][=C][Branch2][Ring1][Branch1][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring2][Ring1][#Branch1][B-1][Ring2][Ring2][Ring2][Branch1][C][F][F] |
CHEMBL4292009 | [N][C][=N][NH1][C][=N][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=C][C][Branch1][P][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][Cl][=C][Ring2][Ring1][=N][Ring2][Ring1][#Branch2] |
CHEMBL4292084 | [N][#C][/C][=Branch1][S][=C][\C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][NH1][C][=C][C][=C][Branch1][N][O][C][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][C][Ring1][#C] |
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