chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL12146 | [C][C][N][C][C][N][Branch1][Ring1][C][C][C][Ring1][#Branch1][=O] |
CHEMBL12147 | [C][=C][C][N][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12148 | [C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][Ring1][C][=Branch1][C][=O][O] |
CHEMBL12149 | [C][/C][=C][Branch2][Ring1][Ring1][\N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12168 | [C][C][N][C][C][N][Branch1][Ring1][C][C][C][Ring1][#Branch1][=S] |
CHEMBL12169 | [N][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][#C][Br] |
CHEMBL12170 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][=N][C][C][C][S][C][=N][C][S][C][=C][Branch1][N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][N][C][C][C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch2] |
CHEMBL12172 | [C][C][C][C][=N][C][Branch1][C][Cl][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][N][Ring1][#Branch2][C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL12195 | [C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12196 | [C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL12285 | [C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][N][=C][Branch1][C][O][N][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring1][=N] |
CHEMBL12287 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] |
CHEMBL12288 | [C][C][Branch2][=Branch1][C][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Bran... |
CHEMBL12219 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][O][C][=N][N][=C][Branch1][C][N][O][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][S][O] |
CHEMBL12220 | [C][N][C][C][N][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][C][C][Ring2][Ring1][Ring2] |
CHEMBL12221 | [C][C][N][C][C][C][C][Ring1][Branch1][=O] |
CHEMBL12310 | [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][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][... |
CHEMBL12312 | [C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][C][C][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][#Branch1][=C][Ring2][Ring1][O] |
CHEMBL12238 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][NH1][C][Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][O] |
CHEMBL12239 | [C][O][C][=Branch1][C][=O][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Ring1][#Branch2][C][=N][Ring1][=C] |
CHEMBL12240 | [C][N][Branch1][C][C][C][C][C][O][C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][#Branch2] |
CHEMBL12241 | [N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][N][Ring1][#Branch1] |
CHEMBL12328 | [C][C][C][N][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][=C][Ring1][#Branch2][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL12329 | [C][=C][S][C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][S][C][C][Ring1][=Branch1][=C][Ring1][=N] |
CHEMBL12257 | [C][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] |
CHEMBL12259 | [O][=C][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][N][Ring1][N][C][C][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] |
CHEMBL12261 | [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] |
CHEMBL12262 | [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] |
CHEMBL12350 | [C][N][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N] |
CHEMBL12352 | [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][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][C][O][C][Ring2][Ring1][Branch1].[Cl-1] |
CHEMBL12289 | [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][Branch1][C][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CHEMBL12290 | [C][O][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][=N][C][=C][Ring1][=Branch1][C][Ring1][S] |
CHEMBL12373 | [C][C][Branch1][C][C][C][C@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL12374 | [C][C][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][S][=Branch1][C][=O][=Branch1][C][=O][/N][=C][Branch1][C][\S][N][C] |
CHEMBL12313 | [C][/C][=Branch1][O][=N][/C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][Ring1][N] |
CHEMBL12314 | [C][N][C][C@@H1][Branch1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C@@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][=Branch1][=C][N][Ring1][Branch1][C][C][C@H1][Ring1][=N][Ring2][Ring1][Branch2] |
CHEMBL12034 | [O][=C][N][C][C][N][Ring1][Branch1] |
CHEMBL4560018 | [C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1] |
CHEMBL12035 | [C][/C][=C][Branch1][O][\N][C][=Branch1][C][=O][C][C][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12036 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][C][Branch1][C][O][=C][Ring2][Ring1][=N] |
CHEMBL12330 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][C][=C][N][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][Ring1][N] |
CHEMBL12331 | [N][C][=Branch1][C][=O][C][=C][S][C][Branch2][Branch1][S][C][O][C][Branch2][Ring2][P][C][O][P][=Branch1][C][=O][Branch1][C][O][C][P][=Branch1][C][=O][Branch1][C][O][O][C][C][O][C][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][Branch1][C][O][C][Ring1][S][O][C][Branch1][C]... |
CHEMBL12332 | [C][C][N][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL1163431 | [C][C][Branch1][C][C][C][O][C][=C][C][=C][C][O][C][=C][Branch1][Ring1][C][O][C][=Branch1][C][=O][C][Ring1][=N][=Ring1][=Branch2] |
CHEMBL1163417 | [C][=C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][O][C][Branch2][Ring2][Branch2][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=C][=C][C][=C][Ring2][Ring2][C][... |
CHEMBL12060 | [C][/C][=C][Branch2][Ring1][=Branch2][\N][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][N][/C][=Branch1][Ring1][=C][\C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O] |
CHEMBL12061 | [C][C][C][C][C][C@@H1][/C][=C][\C][C][C][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][Ring2][Ring1][C] |
CHEMBL12353 | [C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][O][=C][\C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][O] |
CHEMBL12354 | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch2][Ring2][#C][C][C][C][C][N][Branch2][Ring2][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][O][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][S] |
CHEMBL12355 | [C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=O] |
CHEMBL12356 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=S][N][Branch1][Ring1][C][C][C][C] |
CHEMBL12357 | [C][C][Branch1][C][C][C][=C][C][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][Ring1][=Branch2][=N][C][=Ring1][=C][S][Ring1][P] |
CHEMBL12375 | [F][C][=C][C][=C][Branch2][Ring2][Branch2][C][Branch2][Ring1][=Branch2][O][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C] |
CHEMBL12376 | [O][=C][N][C][C][C][C][N][Ring1][#Branch1] |
CHEMBL12377 | [C][=C][C][C][N][C][C][C][C][Ring1][Branch1][C][C][Branch2][Ring1][O][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][#Branch1] |
CHEMBL12107 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#C][O][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring2][Ring1][C].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL12108 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][C][C][N][C@H1][Ring1][Branch1][C][Ring1][=Branch2] |
CHEMBL12037 | [C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][#C][=C][\C][C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL12038 | [C][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL12129 | [O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C@H1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] |
CHEMBL12130 | [C][N][Branch1][C][C][C][C][C][O][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][=Branch2] |
CHEMBL12062 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Ring1][C][C][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][C][Ring2][Ring1][Ring2] |
CHEMBL12063 | [C][C][C][NH1][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][P][Ring1][=Branch2] |
CHEMBL12064 | [C][C][O][C][=C][C][=C][C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=N][N][C][C][C][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][S][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][C][Ring1][P][C][C][Ring2][Ring1][#Branch1][=C][C][=C][C][Ring2][Ring1][#C][=C][Ring2][Ring2][Ring1] |
CHEMBL12150 | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Rin... |
CHEMBL12085 | [N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch2][Ring2][N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL12086 | [C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C][=Branch1][C][=O][O] |
CHEMBL12087 | [O][=C][N][C][=Branch1][C][=O][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring2][Ring1][=Branch2] |
CHEMBL12088 | [C][N][Branch1][C][C][C][C][C][O][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][#Branch1] |
CHEMBL12089 | [C][O][C][=C][C][=C][C][=C][N+1][=Branch1][#Branch2][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][C][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][#C][O][C][O][Ring1][#Branch1].[Cl-1] |
CHEMBL12727 | [C][N][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][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] |
CHEMBL4560050 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][N][C][=C][Ring2][Ring1][Ring1] |
CHEMBL12728 | [C][N][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][N][Ring1][Branch2][P][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL12729 | [C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][O][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][C][=Ring1][=C][C][=C][Ring2][Ring1][C][Ring2][Ring1][=Branch2] |
CHEMBL12730 | [O][=N+1][Branch1][C][O-1][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][Branch2][C][=C][Ring1][N][N][C][=C][C][=C][Ring1][Branch1] |
CHEMBL12451 | [C][C][C][C][C][N][=C][Branch1][Branch1][C][C][C][C][N][Branch2][Ring2][=Branch1][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring2][N][=Ring2][Ring1][=C] |
CHEMBL12655 | [O][=C][Branch1][C][O][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#C][Ring1][#Branch2] |
CHEMBL1163449 | [C][=C][C][N][C][=Branch1][C][=S][N][/N][=C][/C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N+1][Branch1][C][O-1][=C][Branch1][Ring1][C][#N][C][Branch1][C][N][=N+1][Ring1][O][O-1] |
CHEMBL12656 | [C][C][C][C][N][Branch2][Ring1][=C][C][C][C][C][C][N][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][S][Ring1][N][=Branch1][C][=O][=O][C][C][Ring2][Ring1][=Branch2] |
CHEMBL12746 | [N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O] |
CHEMBL12747 | [O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][=N][/C][=N][/O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][=C] |
CHEMBL4560051 | [C][C][N][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] |
CHEMBL12749 | [C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][Branch1][/N][=N+1][Branch1][C][\O-1][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][C][Ring2][Ring1][=Branch2] |
CHEMBL12409 | [O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][=Branch2][C][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][C][Ring1][#C][C][C][Ring2][Ring1][=Branch1] |
CHEMBL12410 | [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][F][C][=C][Ring1][#Branch1] |
CHEMBL12411 | [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][C] |
CHEMBL12491 | [O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][N][Branch2][Ring2][=Branch1][C][C][C][N][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][Ring2][C][C][Ring2][Ring2][Branch1] |
CHEMBL12428 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][Branch1][C][O][C][O][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C].[OH1-1] |
CHEMBL12429 | [Cl][C][=C][C][=C][C][Branch2][Branch1][C][N][C][C][N][Branch2][Ring2][=Branch1][C][C][C][N][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][=C][=C][Ring2][Ring2][Ring2] |
CHEMBL12430 | [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][F] |
CHEMBL12452 | [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] |
CHEMBL12453 | [N][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch1][C][C][C][N][Branch1][O][C][C][N][C][C][N][C][Ring1][Branch1][=O][C][C][Ring1][=C][=C][N][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL12454 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][#Branch2][C][Ring1][S][=O] |
CHEMBL12455 | [C][C][Branch1][C][C][N][Branch2][Ring1][#C][C][C][C][Branch1][#Branch2][C][C][N][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] |
CHEMBL12535 | [C][N][C][C][N][Branch2][Ring1][=N][C][C][C][C][N][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][S][Ring1][N][=Branch1][C][=O][=O][C][C][Ring2][Ring1][Branch2] |
CHEMBL12750 | [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][S][C][C][Ring1][=Branch1][C][=C][Ring1][=N][Ring2][Ring1][Branch1] |
CHEMBL12751 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][/N][=N][/C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][C][=C][Ring2][Ring1][Ring2] |
CHEMBL12472 | [C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][C][C][S][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][#Branch2] |
CHEMBL12473 | [C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][C][C][S][C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][=C][Ring2][Ring1][C][O][Ring2][Ring1][#Branch2] |
CHEMBL12492 | [C][N][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][S][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][C][=C][Ring1][S][Ring2][Ring1][Branch2] |
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