chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL13004 | [C][N][C][C][N][Branch2][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][N][Branch1][C][C][C][C][C][Ring2][Ring1][Branch2] |
CHEMBL13005 | [C][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][F][N][=O][C][C][Ring1][#C] |
CHEMBL13006 | [C][N][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N][Ring2][Ring1][Branch1] |
CHEMBL13093 | [C][C][=Branch1][C][=O][N][C][=C][Branch1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL12395 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=N][/C][=C][/C][=N][N][=C][Branch1][C][O][O][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][C][O] |
CHEMBL12396 | [C][=C][C][=C][C][=C][Branch1][Branch2][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][N][Branch1][O][C][C][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][P] |
CHEMBL12397 | [C][N][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C@H1][Ring1][#Branch2][C][=C][C@H1][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C@H1][Ring2][Ring1][Branch1][C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][Branch1] |
CHEMBL4543258 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][N][Branch1][C][O][C][=Branch1][C][=O][NH1][Ring1][=Branch2] |
CHEMBL4543259 | [C][N][C][C][C][Branch2][Ring2][N][C][N][N][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][Branch1][#Branch1][O][C][C][C][Ring1][Ring1][C][=C][C][Ring1][#Branch2][=C][Ring1][=C][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][#C] |
CHEMBL12399 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C@H1][C][C@H1][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][S][Ring2][Ring1][Branch1].[Cl-1] |
CHEMBL12482 | [O][=S][=Branch1][C][=O][Branch1][N][C][C][#C][C][C][C][C][C][#C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL13551 | [C][O][C][=C][C][=C][Branch2][Branch1][O][C][C@H1][N][C][=Branch1][C][=O][/C][=C][/C][C@@H1][Branch2][Ring1][C][C@@][Branch1][C][C][Branch1][C][O][/C][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][N][C][Ring2][Ring2][C][=O... |
CHEMBL13112 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Branch1][C][C][Branch1][C][C][N+1][Branch1][C][O-1][=C][Ring1][=N] |
CHEMBL13113 | [C][O][C@@][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][C][S][C][Ring2][Ring1][#Branch1][Ring2][Ring1][S] |
CHEMBL13114 | [C][O][C][C][N][Branch1][Branch1][C][C][O][C][C][Branch1][O][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C] |
CHEMBL13115 | [C][C][Branch1][C][C][Branch1][Branch1][C][C][C][#N][C][C][N][C][=N][C][=C][Branch1][C][O][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][Ring1][O] |
CHEMBL12782 | [O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N][C][C][Ring2][Ring1][Branch2] |
CHEMBL12987 | [O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][=C][Ring2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][O][Ring1][#Branch1] |
CHEMBL13068 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C] |
CHEMBL13069 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N+1][Branch1][C][O-1][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2] |
CHEMBL13070 | [C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][O][C][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL13094 | [N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CHEMBL13095 | [C][N][C][=Branch1][C][=O][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] |
CHEMBL13096 | [C][N][Branch1][C][C][C@@H1][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][C][Ring1][N][C][C@H1][Ring1][P][Ring2][Ring1][#Branch2] |
CHEMBL12829 | [C][O][C][=Branch1][C][=O][/C][=C][/C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=O] |
CHEMBL12830 | [O][=C][Branch1][C][O][C][C][C@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N][C][=Branch1][C][=O][O] |
CHEMBL12831 | [O][=C][C][C][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][=N][N][Ring1][P] |
CHEMBL12483 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][O][C][=N][NH1][C][Branch1][C][S][=N][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][S][O] |
CHEMBL12484 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Branch1][#C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][O][Ring2][Ring1][C] |
CHEMBL12485 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][O][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][O][C][Ring1][#C][=O] |
CHEMBL12486 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C] |
CHEMBL12576 | [C][=C][C][C][C][C@][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][C][C@@H1][Ring2][Ring1][C][Ring1][=C] |
CHEMBL12783 | [C][C][Branch2][Ring2][Branch2][C][N][C][C][N][Branch2][Ring1][O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL12785 | [O][=S][=Branch1][C][=O][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] |
CHEMBL12788 | [O][=C][Branch1][P][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CHEMBL12869 | [C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2].[N][#C][C][=C][C][=C][Branch1][#Branch2][/C][=N][/N][/C][Branch1][C][N][=N][/O][C][=C][Ring1][=N] |
CHEMBL13071 | [C][C][C][C][C][N][=C][Branch1][Branch1][C][C][C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][P][N][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring1][#Branch2][C][=C][Ring1][S][N][=Ring2][Ring1][#Branch2] |
CHEMBL13072 | [O][=N][N][Branch1][Ring2][C][C][F][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL12806 | [C][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=C][Ring2][Ring1][Ring2] |
CHEMBL12807 | [C][C][=Branch1][C][=O][O][C][C][O][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Ring2][Ring1][Ring1][O][C][Branch1][C][C][=O] |
CHEMBL12809 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=N][/C][=C][/C][=N][N][=C][Branch1][C][N][O][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][C][O] |
CHEMBL12832 | [C][O][C][=C][C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][P][O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] |
CHEMBL12833 | [O][=P][Branch1][C][O][Branch1][C][O][C][C][=C][C][=C][N][=C][Branch1][C][O][C][Branch1][C][O][=N][C][Ring1][Branch2][=C][Ring1][N] |
CHEMBL12834 | [Cl][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][N][Branch1][=N][C][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C] |
CHEMBL12919 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][C][Ring1][#C] |
CHEMBL12577 | [O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][C][Ring1][#C] |
CHEMBL12578 | [C][O][C][=Branch1][C][=O][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1] |
CHEMBL12579 | [C][N][/C][Branch1][C][S][=N][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Ring2][Ring1][Ring2][S][C] |
CHEMBL12581 | [O][=C][Branch1][C][O][C][N][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][Ring1][S][C][C][Ring2][Ring1][Branch2][=O] |
CHEMBL12673 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] |
CHEMBL12873 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C] |
CHEMBL12874 | [C][O][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=O] |
CHEMBL12875 | [O][=C][Branch1][N][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][=C][NH1][C][=N][Ring1][Branch1] |
CHEMBL12963 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring1][P] |
CHEMBL12810 | [C][C][C][C][C][N][=C][Branch1][Branch1][C][C][C][C][N][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#C][N][C][=C][C][=C][Ring1][Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][S][N][=Ring2][Ring1][#Branch2] |
CHEMBL12811 | [C][C][Branch2][Ring2][Branch2][C][N][C][C][N][Branch2][Ring1][O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL12895 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][Ring1][#C] |
CHEMBL12896 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][Branch2][C][=C][Ring1][N][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL12897 | [O][=C][Branch1][=C][O][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] |
CHEMBL12920 | [O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2] |
CHEMBL12921 | [O][=C][Branch2][Ring2][N][C@@H1][Branch2][Ring1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][Ring2][C][C][F][C][C][Ring1][=Branch2] |
CHEMBL12922 | [O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][Ring1][Branch2] |
CHEMBL12923 | [C][C][Branch1][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][=Branch1][C][=O][O] |
CHEMBL12924 | [C][O][C][=C][C][=C][Branch2][Branch1][#Branch2][C][C@H1][N][C][=Branch1][C][=O][/C][=C][/C][C@@H1][Branch1][#C][C][Branch1][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][N][C][Ring2][Ring2][C][=O]... |
CHEMBL13008 | [O][=C][Branch1][C][O][C][O][C][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][Ring1][S][C][C][Ring2][Ring1][Branch2] |
CHEMBL12674 | [O][=S][=Branch1][C][=O][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL12675 | [C][N][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][S][Ring2][Ring1][Ring1] |
CHEMBL12677 | [F][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][S] |
CHEMBL12678 | [C][C][Branch1][C][C][C][=C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][N][=C][Ring1][=C][S][Ring1][P] |
CHEMBL12964 | [C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2].[N][/C][=Branch1][Ring1][=N][\O][N][/N][=C][/C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][O] |
CHEMBL12965 | [N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CHEMBL12966 | [C][C][Branch1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring1][P][Ring2][Ring1][=Branch1] |
CHEMBL1163461 | [C][N][Branch1][C][C][C][=N][C][=N][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=Ring1][=Branch2] |
CHEMBL12967 | [C][C][C][N][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=C][Ring2][Ring1][=Branch1] |
CHEMBL12898 | [C][N][C][=C][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][Ring2][Ring1][Ring1] |
CHEMBL12899 | [C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2].[N][/C][=Branch1][Ring1][=N][\O][N][/N][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] |
CHEMBL12988 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C@H1][C][=Branch1][C][=O][O][C@@H1][Branch1][Ring1][C][O][C@@H1][Ring1][Branch2][O][C][Branch1][C][C][=O] |
CHEMBL1163464 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=C][Branch1][C][C][N+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring2][Ring1][C].[Br-1] |
CHEMBL4543328 | [C][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][Branch1][C][N][=O][=C][Ring1][=C][Br] |
CHEMBL13011 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][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][C][C][C@@H1][Branch1][O][S][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C@H1][Ring1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C... |
CHEMBL13013 | [C][C][Branch1][C][C][=C][C][C][=C][Branch1][C][O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Ring2][Ring1][#Branch2][=O] |
CHEMBL13097 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] |
CHEMBL13035 | [C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][Ring1][#C][C][Ring2][Ring1][C][C][Ring2][Ring1][#Branch1] |
CHEMBL1163467 | [C][C][Branch1][C][C][C@H1][Branch2][#Branch2][#Branch2][N][C][=Branch1][C][=O][C@@H1][C][S][S][C][C@H1][Branch2][Ring2][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C... |
CHEMBL13036 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][S][C][=C][C][Branch1][C][O][=C][Branch1][#C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][O][Ring2][Ring1][C][=C][C][=C][Ring2][Ring1][Branch2][O] |
CHEMBL13037 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][O][C][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][O][C][Ring1][S][=O] |
CHEMBL13038 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4543362 | [O][=C][C][Branch1][C][Cl][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][Ring2][Ring1][Ring2] |
CHEMBL1163468 | [Br].[C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][C][=O][=N][C][Branch1][C][C][=C][Ring1][=Branch2][Ring1][S] |
CHEMBL13052 | [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][Branch2][Ring1][=Branch1][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][C][C][Ring2][Ring1][Branch1] |
CHEMBL13053 | [O][=C][N][C][C][N][Ring1][Branch1][C][C][N][C][C][C][Branch1][P][C][=C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S] |
CHEMBL13054 | [C][C][C][C][=C][Branch1][C][O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Ring2][Ring1][#Branch2][=O] |
CHEMBL13055 | [C][=C][Branch1][C][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL12989 | [O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch2][Ring1][#Branch2][N][C][=C][C][Branch1][P][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][C][=C][Ring2][Ring1][O][Ring2][Ring1][P] |
CHEMBL12990 | [C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N+1][Ring1][O][O-1] |
CHEMBL13073 | [N][=C][Branch1][C][N][N][C][=N][C][Branch2][Ring1][Branch1][C][S][C][C][/N][=C][Branch1][C][\N][N][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1][=C][S][Ring2][Ring1][Branch1] |
CHEMBL13074 | [C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][#N] |
CHEMBL13075 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][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][C][C][C@@H1][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL13098 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] |
CHEMBL13099 | [C][C][N][Branch1][=N][C][C][C][C][C][Branch1][C][C][Branch1][C][C][F][C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O] |
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