chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL13101 | [C][N][C][C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][C][Ring1][S] |
CHEMBL13102 | [C][C][=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] |
CHEMBL12835 | [C][/N][=C][Branch1][Ring2][\N][C][#N][N][C][C][S][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
CHEMBL12766 | [C][C][C][C][C][N][=C][Branch1][Branch1][C][C][C][C][N][Branch2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#C][N][=Ring2][Ring1][=Branch2] |
CHEMBL12767 | [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][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL12768 | [C][C][O][C][=Branch1][C][=O][C][=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][Ring2][Ring1][Branch2] |
CHEMBL12769 | [O][=S][=Branch1][C][=O][Branch2][Ring2][Ring1][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][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL12770 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@@H1][C@][Ring1][#Branch1][Branch1][C][C][C][C][C][C@][Ring1][#Branch1][C][O][Ring1][Ring1] |
CHEMBL13056 | [C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=N][S] |
CHEMBL12789 | [O][=C][Branch1][C][O][C][C][C][N][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] |
CHEMBL12790 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][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][=C][C][=C][C][=C][C][=C][C][Rin... |
CHEMBL12792 | [O][=N][N][Branch1][Ring2][C][C][F][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1] |
CHEMBL12793 | [C][C][Branch1][C][C][N][Branch2][Ring2][Ring2][C][C][C][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C] |
CHEMBL1163458 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][Branch2][C][C][C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][=N][N][Ring2][Ring1][O][C][=C][C][=C][C][=C... |
CHEMBL12794 | [C][=C][O][C][Branch2][Ring1][#Branch1][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][=C][Ring2][Ring1][Ring1] |
CHEMBL13077 | [C][C][Branch1][C][C][N][Branch2][Ring2][#Branch2][C][C][C][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][C][C][C] |
CHEMBL13078 | [O][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] |
CHEMBL4543220 | [C][C][C][C@H1][O][C][=Branch1][C][=O][C@@H1][Ring1][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL12812 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][O][Ring1][#Branch1] |
CHEMBL12814 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][Branch1][C][O][=C][Ring1][Branch2][Ring1][P][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][N][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL12815 | [C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][=C][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][=Branch1][=C][Ring1][N][Ring1][Branch2][C][Ring1][#C] |
CHEMBL12836 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][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][O][Ring2][Ring1][Branch1].[I-1] |
CHEMBL12837 | [O][=N][N][Branch1][Ring2][C][C][F][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] |
CHEMBL12838 | [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][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] |
CHEMBL12839 | [C][C][C][Branch1][C][C][C][=C][C][=C][N][=C][S][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring1][P] |
CHEMBL12925 | [C][O][C][=Branch1][C][=O][C][N][=C][N][Branch1][=Branch2][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=C] |
CHEMBL12853 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@H1][C@@H1][Branch1][Ring1][C][O][C][C][C][C@][Ring1][=N][Ring1][Branch2][C] |
CHEMBL12854 | [C][C][Branch1][C][C][N][Branch2][Ring2][Ring2][C][C][C][Branch1][#C][C][C][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][C][C] |
CHEMBL12855 | [C][C][Branch1][C][C][N][Branch2][Ring1][=N][C][C][C][Branch1][=Branch2][C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C] |
CHEMBL12856 | [N][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][NH1][C][Ring1][N][=O] |
CHEMBL12858 | [C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][S][C][S][C][C][N][C][=Branch1][Ring2][=N][C][#N][N][C][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][O][Ring2][Ring1][N] |
CHEMBL12795 | [C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Ring1][#Branch2] |
CHEMBL12876 | [O][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] |
CHEMBL12877 | [O][=C][Branch1][C][O][C][O][C][=C][C][=C][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] |
CHEMBL12878 | [O][=C][Branch1][C][O][C][C][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] |
CHEMBL12879 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][N] |
CHEMBL12816 | [O][=C][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O] |
CHEMBL12817 | [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][C][C][Ring1][Branch1][C][=C][Ring1][N][Ring2][Ring1][Ring2] |
CHEMBL12903 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C] |
CHEMBL12904 | [C][=C][C][O][/N][=C][Branch2][Ring1][N][\C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][O][C@H1][Ring1][N][Ring1][=Branch2][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1] |
CHEMBL1163459 | [O][=C][Branch1][C][O][C][C][C][C][N][Ring1][Ring2] |
CHEMBL97 | [C][=C][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][=C][C][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][N][Ring1][Branch2] |
CHEMBL12906 | [C][C][=C][C][=C][C][Branch1][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... |
CHEMBL1163475 | [C][C][=Branch1][C][=O][N][C@H1][C][S][S][C][C@@H1][Branch1][=Branch1][C][Branch1][C][N][=O][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][S][C][C][=C][C][=C][C][=C][C... |
CHEMBL13182 | [C][C][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P][Ring1][O] |
CHEMBL13275 | [C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][=C][C][=N][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] |
CHEMBL13276 | [C][C][C][C][C][C][C][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=N][Ring1][Branch2] |
CHEMBL13277 | [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][Branch1][C][Cl][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2] |
CHEMBL13203 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][Ring2][C][C][N][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL13204 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][N+1][Branch1][C][O-1][=C][Ring1][=N] |
CHEMBL13205 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][N][Ring1][=C][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C@@H1][C][C][O][C][Ring1][Branch1] |
CHEMBL13206 | [C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][S][C][C][N][/C][=C][Branch2][Ring1][Branch1][/N][C][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1][O][Ring2][Ring1][=N] |
CHEMBL13230 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][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] |
CHEMBL13231 | [N][#C][C][NH1][C][Branch2][#Branch1][C][C][C][NH1][C][Branch2][Branch1][#Branch1][C][C][NH1][C][Branch2][Ring1][N][C][C][NH1][C][Branch1][Ring1][C][O][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Ring1][O][C][C][C][=Branch1][C][=O][O][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Ring2][Ring1][#Branch2]... |
CHEMBL13232 | [C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][N][=N][NH1][N][=Ring1][Branch1][=C][N][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] |
CHEMBL13234 | [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][C][C][C][C][Ring1][#Branch1] |
CHEMBL3309421 | [C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] |
CHEMBL13154 | [O][=C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][Ring1][C][Cl][=C][C][=C][Ring1][Branch2][O][C][Ring1][N][=O] |
CHEMBL13155 | [C][C][C@H1][Branch2][Branch1][N][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][Ring1][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C@@H1][Branch1][C]... |
CHEMBL13156 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=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][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Ring1][... |
CHEMBL13157 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][=C][C][C][N][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL13158 | [O][=C][Branch1][=Branch2][O][C][C][Branch1][C][O][C][O][C][=C][N][C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring1][=N] |
CHEMBL13252 | [C][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] |
CHEMBL13253 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][S][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL13278 | [O][=S][=Branch1][C][=O][Branch2][Ring2][Ring1][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][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL13279 | [C][S][=Branch1][C][=O][=Branch1][C][=O][/C][=C][/C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N] |
CHEMBL13359 | [C][O][C][C@H1][O][C][=Branch1][C][=O][C][=C][O][C][=C][Ring1][Branch1][C@@][Ring1][#Branch2][Branch1][C][C][C][=C][Branch1][Branch1][C][Ring1][#Branch1][=O][C@@H1][C][C@@H1][Branch1][C][Br][C][=Branch1][C][=O][C@@][Ring1][#Branch1][Branch1][C][C][C][C@H1][Ring1][=C][O][C][Branch1][C][C][=O] |
CHEMBL13360 | [O][=C][Branch2][Ring2][S][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][N][C][C][C][C][Ring1][Branch1] |
CHEMBL13207 | [C][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][C][=Branch1][C][=O][N][Ring1][#C][C] |
CHEMBL13293 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][S][Ring1][=N] |
CHEMBL13294 | [O][=C][C][=C][N][C][Branch1][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring1][=N] |
CHEMBL13296 | [C][C][=C][Branch1][C][O][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=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] |
CHEMBL13297 | [C][O][C][=Branch1][C][=O][C][N][=C][N][Branch1][=Branch1][C][=Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N] |
CHEMBL13316 | [C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][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][Ring2][Ring1][=Branch1] |
CHEMBL13317 | [O][=C][Branch1][P][N][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] |
CHEMBL13318 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][C][C][C][C][=C][... |
CHEMBL13319 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][C][Branch1][C][C][C][=Branch1][C][=O][O] |
CHEMBL13320 | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring2][=Branch2][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Branch1][=Branch2][C][C][=C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2][Ring2][Ring1][Branch1][N][Branch1][C][C][C][Ring2][Ring1][=C][=O] |
CHEMBL13254 | [C][C][C@H1][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][Branch1][Branch1][C][C][O][C][C][C][O][C] |
CHEMBL13255 | [O][=C][Branch1][C][O][C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] |
CHEMBL13256 | [C][C][C@H1][Branch2][Branch1][N][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][Ring1][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C@@H1][Branch1][C]... |
CHEMBL13257 | [C][C][=N][O][C][=Ring1][Branch1] |
CHEMBL13258 | [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][C][C] |
CHEMBL13336 | [O][/N][=C][\C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] |
CHEMBL13337 | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][P][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Branch1][C][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1][Ring1][S][N][Branch1][C][C][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL13338 | [O][=C][C][=C][N][C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring1][=N] |
CHEMBL13361 | [C][C][Branch1][C][C][N][C][=Branch1][C][=S][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][C][O][C][O][Ring1][#Branch1] |
CHEMBL13362 | [O][C][C][=C][N][C][Branch2][Ring1][Ring1][C][=C][Branch1][C][Cl][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N][=N][Ring1][#C] |
CHEMBL13363 | [C][C][Branch1][C][C][O][C][=C][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][P][Ring1][#Branch1] |
CHEMBL13453 | [C][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] |
CHEMBL13454 | [C][C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][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][Ring2][Ring1][=Branch1] |
CHEMBL13298 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C@H1][Ring1][P][O] |
CHEMBL13384 | [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][C][=Branch1][C][=O][C][Branch1][C][C][C] |
CHEMBL13385 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring1][P] |
CHEMBL13387 | [C][C][C][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] |
CHEMBL13388 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][O][C][O][Ring1][#Branch1] |
CHEMBL3309392 | [C][C@H1][Branch1][C][O][C][N][C][=N][C][=C][C][Branch2][Ring2][=N][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=C][Ring2][Ring1][Branch2][=N][Ring2][Ring2][Ring2] |
CHEMBL13411 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring2][Ring1][Ring2] |
CHEMBL13412 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][P][O][C][O][Ring1][#Branch1] |
CHEMBL13413 | [O][=C][Branch2][Ring1][S][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][P][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] |
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