chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL13604 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Ring2] |
CHEMBL13605 | [C][N][C][C@@H1][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@H1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Ring2][Ring1][=Branch1] |
CHEMBL13925 | [C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL13926 | [C][C][Branch1][C][C][Branch1][C][N][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][C][C][C@][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][Ring1][S] |
CHEMBL13927 | [C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][C][C][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL13928 | [C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Ring1][#C] |
CHEMBL13929 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][S][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S] |
CHEMBL13950 | [O][=C][Branch1][C][O][C][C][C][C][=C][C][=C][Branch2][Ring2][#Branch2][O][C][=N][C][=C][C][Branch2][Ring1][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL13951 | [C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Ring1][#C] |
CHEMBL13952 | [C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl] |
CHEMBL14045 | [C][C][O][C][=Branch1][C][=O][C][Branch1][Branch2][C][=Branch1][C][=O][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][Ring1][#Branch1][Branch1][C][C][C] |
CHEMBL14075 | [C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][S][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL14165 | [C][C][O][C][C][N][C][=Branch1][C][=O][NH1][C][C][=Branch1][C][=O][N][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring2][Ring1][O][C][Ring2][Ring1][S][=O] |
CHEMBL14167 | [C][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2] |
CHEMBL14168 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=N][C][C][N][Ring1][Branch1] |
CHEMBL13701 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][O][C][O][Ring1][#Branch1] |
CHEMBL13702 | [C][C][Branch1][C][C][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][Ring2][Ring1][Ring2] |
CHEMBL13703 | [C][C][Branch1][C][C][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][F][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][Ring2][Ring1][Ring2] |
CHEMBL13705 | [N][C][=N][C][Branch1][C][N][=C][Branch2][Ring2][Branch1][C][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][C][=Branch1][C][=O][NH1][Ring2][Ring1][=C] |
CHEMBL13706 | [Cl].[N][C][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1] |
CHEMBL14020 | [C][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][C@@H1][C][C@@H1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=N][=Ring1][Branch1][C][C@H1][Ring1][S][N][Branch1][C][C][C][Ring2][Ring1][Branch1] |
CHEMBL4543319 | [N][#C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O] |
CHEMBL14021 | [C][C][C][=Branch1][C][=O][O] |
CHEMBL14022 | [C][C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][=C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C@H1][Ring1][N][N][Branch1][C][C][C][Ring1][P] |
CHEMBL14025 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][NH1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] |
CHEMBL3309599 | [C][N][C][C][N][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C][Ring2][Ring1][=C] |
CHEMBL14046 | [C][/C][=C][/C][C][=C][Branch1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Branch2][N][Ring1][Branch1][C][Ring1][P][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][O][C] |
CHEMBL14048 | [C][N][C][C@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][C][=C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C@H1][Ring1][N][Ring2][Ring1][#Branch2] |
CHEMBL4543329 | [C][O][C][=C][C][=C][Branch1][S][C][N][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring1][P] |
CHEMBL4543330 | [C][C][C][C][C][C][=C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][Ring1][=Branch2][=C][Ring1][=N][Br] |
CHEMBL4543331 | [C][C][O][C][=C][C][Branch1][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][=N][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][Branch1][#Branch2][C][C][S][C][=C][C][=Ring1][Branch1][C][C@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][Ring1][P][C] |
CHEMBL14049 | [C][=C][N][=C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][=C][Ring1][O] |
CHEMBL14051 | [C][C@H1][Branch2][Ring1][=N][N][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][O][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch1][C][O][C@H1][Branch1][S][N][C][=C][C][=Branch1][C][=O... |
CHEMBL14052 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][=N][O][C][C][Ring1][Branch1][Branch1][C][C][C] |
CHEMBL14143 | [C][C][=Branch1][C][=O][N][C][C][N][C][=C][C][=C][Branch1][#Branch2][N][C][C][N][C][Branch1][C][C][=O][C][=C][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][O][=O] |
CHEMBL14169 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][=N][O][C][C][Ring1][Branch1][Branch1][C][C][C] |
CHEMBL14683 | [C][C][=C][N][=C][Branch1][=N][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][O][Ring1][=N] |
CHEMBL14255 | [C][O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][N][C][C][Ring2][Ring1][#Branch2] |
CHEMBL14257 | [C][O][C][=Branch1][C][=O][C][C][C][C][C][Branch2][Ring1][Branch1][C][C][Ring1][#Branch1][C][=C][C][=C][Branch1][#Branch1][C][=C][Branch1][C][Br][Br][C][=C][Ring1][#Branch2][N][Ring1][P] |
CHEMBL13798 | [C][C][Branch1][C][C][C][C][N][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C]... |
CHEMBL13799 | [C][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2].[Cl] |
CHEMBL13801 | [C][C][Branch1][C][C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][#N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][Ring2][Ring1][Branch1] |
CHEMBL14115 | [C][C][Branch1][C][C][C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][NH1][C][=Ring1][=Branch2][C][Ring2][Ring1][Ring1][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL14116 | [C][C][=Branch1][C][=O][C][C][C][C][C][C][C][=C][C][C][Branch1][C][O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring2][Ring1][Ring1][Ring1][S][C] |
CHEMBL14117 | [C][O][C][C@H1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O] |
CHEMBL14118 | [C][C][N][Branch1][=C][C][C][Se][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][O][Ring1][P] |
CHEMBL14119 | [C][C][C][C][C][=Branch1][S][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=Branch1][C][=O][N][Ring1][O][Ring2][Ring1][#Branch2] |
CHEMBL4543176 | [C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][=N] |
CHEMBL4543177 | [C][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][C][C][C][=Ring1][=Branch1] |
CHEMBL4543178 | [C][C][N][Branch1][Ring1][C][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][P][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][O][C][C][C][C][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring2][Ring1][C][O][C][=C][Ring2][Ring1][=N] |
CHEMBL4543179 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring2][Branch2][C][=N][C][=C][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C][C][C][Ring2][Ring1][N] |
CHEMBL4543180 | [C][C][C][=C][C][=N][C][Branch2][Ring1][Branch1][C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1][=C][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][C][=Ring2][Ring1][=Branch2] |
CHEMBL4543181 | [C][C][=C][N][=C][Branch2][Ring2][#Branch2][C][C][=N][C][=C][N][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Ring1][#Branch2][=C][Ring1][=C][N][Ring1][P][C@@H1][C][C][O][C@H1][Branch1][C][C][C][Ring1][#Branch1][C][=N][Ring2][Ring1][#C] |
CHEMBL4543182 | [C][C][=C][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] |
CHEMBL4543183 | [C][C][C][=N][N][Branch2][Ring1][S][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@H1][Ring1][=Branch1][C][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][=N][C][=Ring2][Ring1][Branch2] |
CHEMBL14120 | [C][O][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][O][C][Ring1][=N][=C][Ring1][P] |
CHEMBL14121 | [C][O][C][=C][C][=C][Branch2][Branch1][S][C][N][C][=Branch1][C][=O][NH1][C][C][=Branch1][C][=O][N][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring2][Ring1][O... |
CHEMBL14144 | [C][N][C][C][C][C][Ring1][Branch1][C][Branch1][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][#Branch1] |
CHEMBL14145 | [C][=C][C][=C][Branch1][Branch2][C][=C][NH1][C][=N][Ring1][Branch1][C][=C][Ring1][O] |
CHEMBL14146 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2] |
CHEMBL14147 | [C][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][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][Branch2][C][C][C][Branch1][C][N][... |
CHEMBL14231 | [C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1] |
CHEMBL14579 | [C][C][C][C][=C][Branch2][Ring2][=Branch2][O][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][P][C][#N][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring2][C][O] |
CHEMBL14580 | [C][=C][O][C][Branch1][=N][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][=C][Ring1][=N] |
CHEMBL14581 | [C][O][C][=C][C][=C][C][Branch2][Ring2][P][C][C][N][Branch2][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][#Branch1] |
CHEMBL14583 | [C][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][C][Branch1][C][O][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N] |
CHEMBL14584 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][C][O][=C][C][=C][C][=Branch1][Branch2][=C][C][Ring1][=Branch1][=N][Ring1][O][O][C][O][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] |
CHEMBL14319 | [C][C][=C][C][=C][Branch1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][Branch1][Branch1][/C][=C][\C][O][=C][Ring2][Ring1][Ring1] |
CHEMBL14514 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][O][C][=C][C][=C][C][=C][C][=C][Branch1][=Branch2][C][C][N][C][Branch1][C][C][=O][C][Ring1][N][=C][Ring1][S][C][=C][Ring2][Ring1][=C][Ring2][Ring1][#Branch2] |
CHEMBL14603 | [C][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] |
CHEMBL14604 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][O][C][C][Branch1][=C][C][O][C][C][C][C][N+1][C][=C][S][C][=Ring1][Branch1][O][Ring1][S].[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2] |
CHEMBL14605 | [C][C][=C][S][C][=C][Ring1][Branch1][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][Ring2][Ring1][Ring1] |
CHEMBL14542 | [O][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][#C][Ring1][=Branch1][O][C][O][Ring1][#Branch1] |
CHEMBL14281 | [C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][S][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
CHEMBL14282 | [N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CHEMBL1163486 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][S] |
CHEMBL14283 | [Cl][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][C][C][C][C][C][C][C][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=N][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N] |
CHEMBL14284 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][Ring1][Branch2][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] |
CHEMBL14300 | [C][O][C][=C][C][=C][C][Branch2][Ring2][#Branch2][O][C][=N][C][=C][C][Branch2][Ring1][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][=C][Ring2][Ring1][#C] |
CHEMBL14301 | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][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][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1... |
CHEMBL14302 | [C][C][Branch1][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL14303 | [O][=C][Branch1][#Branch2][N][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] |
CHEMBL14320 | [C][C][O][C][=Branch1][C][=O][C][Branch1][P][C][C][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][P] |
CHEMBL14321 | [C][S][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2] |
CHEMBL14322 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][O][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL14323 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][C][O][=C][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][C] |
CHEMBL14324 | [C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2] |
CHEMBL14606 | [C][O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][=N][C][C][Ring2][Ring1][O] |
CHEMBL14607 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1] |
CHEMBL14345 | [C][O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][N][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][N][C][C][Ring2][Ring1][#Branch2] |
CHEMBL14346 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][C][Ring1][#Branch1] |
CHEMBL14347 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][=Branch1][C][C][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][C][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][=Branch1][C][=O][N][C][C]... |
CHEMBL14285 | [C][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2] |
CHEMBL14368 | [C][O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Br][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][=N][C][C][Ring2][Ring1][O] |
CHEMBL14369 | [C][C][=C][Branch2][Ring1][N][N][N][=C][C][C][C][Branch1][C][C][N][C][Ring1][#Branch1][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=N][C] |
CHEMBL14370 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][C][O][Ring1][=Branch1] |
CHEMBL14412 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][Ring1][Branch2][=N][Ring1][=N][=C][Ring2][Ring1][Ring1] |
CHEMBL14388 | [C][C][C][N][Branch1][Ring2][C][C][C][C@H1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][C][C@@H1][Ring1][N][C] |
CHEMBL14389 | [C][O][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][N][O][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S] |
CHEMBL14390 | [N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O] |
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