chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL507540 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][#Branch2][C@@H1][Branch2][Ring2][Branch2][C][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C@H1][Ring2][Ring1][S][... |
CHEMBL507542 | [C][=C][Branch1][C][C][C@@H1][C@H1][Branch1][C][O][C][=C][Branch1][C][C][C@@H1][C][C][C@H1][Branch1][C][C][C][C@H1][Ring1][#Branch1][Ring1][=N] |
CHEMBL502988 | [C][S][C][C][C@H1][Branch2][#Branch1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][... |
CHEMBL502990 | [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][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O... |
CHEMBL499823 | [C][O][C][=C][C][=C][C][Branch2][Ring1][S][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][N][=N][NH1][C][=Ring1][=Branch1][Ring1][P][=C][Ring2][Ring1][#Branch1] |
CHEMBL499846 | [C][C][=C][C][=C][C][Branch2][Branch1][S][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][C][C][N][C][=Branch1][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring... |
CHEMBL500367 | [C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][S][S][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch2][Branch1][#Branch2][C][S][S][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][... |
CHEMBL500370 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Branch1][=Branch1][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring1][Ring2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C][Bran... |
CHEMBL500372 | [C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][Branch2][Branch1][=N][O][C@@H1][O][C@H1][Branch2][Ring2][=Branch2][C][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Ring2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C... |
CHEMBL500373 | [C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring2][=Branch2][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][B... |
CHEMBL500375 | [C][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][C][C][C@H1][C@@H1][C][C@H1][Branch2][#Branch1][=N][O][C][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch2][=Branch1][=Branch2][O][C][O][C][C@@H1][Branch2][Ring2][=Branch1][O][C][O][C@H1][Branch1][C][C][C@@H1][Branch1][C... |
CHEMBL4116114 | [O][=C][Branch1][=Branch2][N][C@@H1][C][C][O][C][Ring1][Branch1][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][N][=C][C][=C][C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][=C][Ring1][O][Ring1][=C][=C][Ring2][Ring1][Ring2] |
CHEMBL500377 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][N][Ring1][=Branch2][O][C][=C][Ring1][S] |
CHEMBL505276 | [C][O][C@][Branch2][Ring2][P][C][C][C@H1][Branch1][C][C][C][O][C@@H1][O][C@H1][Branch2][Ring1][=Branch1][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][O][O][C@H1][C][C@H1][C@@H1][C]... |
CHEMBL505285 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=C][/C][=N][/N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][S][Ring1][=N][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL505397 | [C][C@@H1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][N][C@H1][C][C][C@@H1][Branch2][Ring2][#Branch1][C][C@@H1][Branch1][C][C][N][C][=C][Branch2][Ring1][#Branch1][C][#C][C][O][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1]... |
CHEMBL505398 | [C][C][C][C][C][C][C][C@H1][Branch1][C][O][C][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][=O][O][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@... |
CHEMBL505400 | [C][O][C@H1][/C][=C][\C][=C][Branch1][C][/C][C][=Branch1][C][=O][N][C][=C][C][=Branch1][C][=O][C][Branch1][O][N][C][C][N][C][C][C][C][Ring1][Branch1][=C][Branch2][Ring2][Ring1][C][C@@H1][Branch1][C][C][C][C@H1][Branch1][Ring1][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][/C][=C][Branch1][C][\C][C@@H1][Ring2][Ring2]... |
CHEMBL505403 | [N][C][=N][C][=Branch1][C][=O][C][N][=C][N][Branch2][=Branch1][O][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch2][Branch1][=N][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][=N][N][C]... |
CHEMBL500257 | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][=C][Branch1][C][O][C][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][O] |
CHEMBL500264 | [C][/C][=C][Branch1][C][/C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@@][Branch1][Ring1][C][O][C@@H1][Branch1][=Branch2][C][C][Ring1][=C][Branch1][C][C][C][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][O][O][C@@H1][O][C@H1][Branch1][=Branch1][C][=B... |
CHEMBL500267 | [C][=C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][/C][=C][/C@H1][Branch1][C][C][C][=Branch1][C][=O][C@@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@H1][Branch1][C][C][C@H1]... |
CHEMBL500269 | [C][S][C][C][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL500286 | [C][C][=N][C][=C][Branch1][=Branch2][C][C][C][C][N][Ring1][Branch1][C][C][=C][Ring1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL158384 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][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][Ring2][Ring1][=Branch1].[Cl-1] |
CHEMBL494682 | [C][C][Branch1][C][C][Branch1][C][O][C][C][N][C][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring2][Ring1][C] |
CHEMBL490449 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][N][C][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S][N][=C][Ring2][Ring1][Branch2][C] |
CHEMBL541013 | [C][C][Branch1][C][C][C][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C][C@][Branch1][C][C][C][=Branch2][=Branch1][Branch2][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring2][=Branch1][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@... |
CHEMBL526336 | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch2][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=B... |
CHEMBL525083 | [C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N]... |
CHEMBL525086 | [C][C][Branch1][C][C][C@H1][Branch2][#Branch1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch... |
CHEMBL525089 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C... |
CHEMBL525206 | [O][=C][NH1][C][=Branch1][C][=O][N][Branch1][#C][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=C][Ring1][#C][C][C][C][C][C][F] |
CHEMBL525212 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][Branch1][C][C][Branch1][C][C][S][S][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branc... |
CHEMBL502998 | [C][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][C][C@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C@H1][C][C@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C@@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1... |
CHEMBL503204 | [N][C][=Branch1][C][=S][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CHEMBL503221 | [C][=C][C][C@][C][C@H1][Branch1][C][O][C@][Branch1][C][O][C@@][Branch1][C][C][C][C@H1][Branch1][C][O][C][C@][Ring1][=Branch2][C@@H1][Branch2][Ring2][O][C@@H1][Ring1][#C][C@H1][Ring2][Ring1][C][C@@H1][Branch1][N][O][C][=Branch1][C][=O][/C][Branch1][C][C][=C][/C][C@@H1][Branch1][N][O][C][=Branch1][C][=O][/C][Branch1][C][... |
CHEMBL503245 | [C][C@@H1][Branch1][C][O][C@H1][Branch2][=Branch2][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][... |
CHEMBL503252 | [O][=C][C][C][=Branch2][Branch1][N][=C][C][C][=C][C][Branch1][C][O][=C][C][=Ring1][#Branch1][N][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][Ring2][Ring1][=Branch1][=C][NH1][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][... |
CHEMBL503304 | [C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][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@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C]... |
CHEMBL503306 | [C][C][=Branch1][C][=O][N][C@H1][C@@H1][Branch2][=Branch2][#Branch2][O][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Branch2][Ring1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Bran... |
CHEMBL501801 | [C][C@@H1][Branch2][Ring1][#C][S][C@H1][C][O][C@H1][Branch2][Ring1][C][/C][=C][/C][=C][/C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][F][O][C][Ring2][Ring1][Ring1][C@@][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][Branch1][C][F][C]... |
CHEMBL4116117 | [O][=C][Branch1][C][O][C@H1][N][C][C][C@@H1][Ring1][Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CHEMBL501968 | [C][C][Branch1][C][C][Branch1][C][C][C@H1][Branch2][Branch1][#C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C@H1][C@@H1][Branch2][Ring1][O][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][Branch1][C][N][=O][C][Ring1][... |
CHEMBL501969 | [C][O][C@H1][C][C@H1][Branch1][C][C][C][C][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][C][=C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][/C][Branch1][C][C][=C][/C][=C][\C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][N][=O][/C][Branch1][C][C][=C][/C@H1][Branch1][C]... |
CHEMBL501970 | [N][C][C][C][C][N][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][N][=Branch1][C][=C][N][=C][Branch2][O][#Branch2][C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][=Branch1][C][=O][N][Branch1][Branch1]... |
CHEMBL502181 | [C][C][C][C][C][C][C][C][C][C][C][C][C@H1][Branch1][C][O][C@@H1][C][C][C@@H1][Branch2][Ring2][Ring2][C@@H1][Branch1][C][O][C][C][C][C][C][Branch1][C][O][C][C][C][C][C][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][=O][C][=Branch1][C][=O][O][Ring1][#Branch2][O][Ring2][Ring1][N] |
CHEMBL502183 | [C][O][C][=C][C][=C][Branch2][Ring2][S][O][C@@H1][O][C][C@][Branch1][C][O][Branch2][Ring1][C][C][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][Ring1][P][O][C@H1][O][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O][C][=C][Branch2][Ring1][=C][C][Branch1]... |
CHEMBL502187 | [C][O][C][=C][C][=C][Branch2][Branch2][=N][C][=C][O][C][=C][C][Branch2][=Branch1][P][O][C@@H1][O][C@H1][Branch2][Ring1][Branch1][C][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][=Branch2][O][C@@H1][O][C@H1][Branch2][Ri... |
CHEMBL502192 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch2][Ring2][S][C][C][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][N][Ring1][=N][C][N][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][O][C][=Ring1][#C][C][C][C][Ring2][Ring2... |
CHEMBL502478 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][C][C][C@H1][C@@H1][C][C@H1][Branch2][Branch1][#Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][Ring1][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@@H1]... |
CHEMBL503044 | [C][C][=Branch1][C][=O][O][C@@H1][C][C@H1][Branch1][C][O][C@@][C][O][C@@H1][Branch1][C][O][C@][Ring1][#Branch2][Branch1][C][C][C@@H1][Ring1][Branch2][C][C@@H1][Branch1][C][O][C@][Branch1][C][C][C@@H1][Ring1][=C][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Branch1][C][C][C@H1][Branch1][Bra... |
CHEMBL505405 | [N][C][=C][C][=C][Branch2][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][Branch1][C][C][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch... |
CHEMBL505408 | [O][=C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][C][=N+1][Branch2][Ring2][O][C][C][C][C][C][C][C][C][C][C][N+1][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][... |
CHEMBL505409 | [C][C][O][C][=C][C][=C][C][Branch2][Branch1][N][N][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=N][C][C][Ring2][Ring1][Ring1][N][=C][Ring2][Ring1][#Branch2][C][=C][C][=C][B... |
CHEMBL499563 | [C][C][=Branch1][C][=O][O][C][C@@][Branch1][C][C][C][C][C][C@][Branch1][C][C][C@H1][C][C][C@@H1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][O][C@@H1][Branch1][N][C][=C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][O][C][C@H1][Ring1][P][C@][Ring2][Ring1][Branch1][Branch1][C][C][C][C][C@@H1][Ring2][Ring1][S][Ring2][... |
CHEMBL503452 | [C][C][N][C][C][N][Branch2][Branch1][Branch2][C][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][P][N][C][C][N][Branch2][Ring1][Branch1][C][C][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][P][C][C][... |
CHEMBL503454 | [C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1]... |
CHEMBL503523 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Branch1][C][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][P][O][C@@H1][O][C]... |
CHEMBL503535 | [C][O][C][=C][Branch2][Branch1][Branch1][N][C][C][N][Branch2][Ring2][=Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Ring1][=Branch1][C][=C][C][=C][Branch1][P][P][=Branch1][C][=O][Branch1][C][O][C][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][=C][C][Branch1][C][C][C][Ring2][Ring1][N][C][Branch1][C][F][=C][C][C][=B... |
CHEMBL503606 | [O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][NH1][N][=Ring1][Branch1] |
CHEMBL503616 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][N][Ring1][#C][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branc... |
CHEMBL4116118 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][N][Ring1][=N][C][C][C][N][Ring2][Ring1][Ring2] |
CHEMBL503617 | [C][C][C][C][C][C][C][C][C][C@H1][Branch1][=N][C][C][C][C][C][C][C][C][Branch1][C][C][=O][O][C@@H1][O][C@H1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring1][Ring1][O][C@@H1][O][C@H1][Branch2][Ring2][Ri... |
CHEMBL503619 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring2][N][C][N][Branch1][C][C][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][#Branch2][=O][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Branch1... |
CHEMBL503852 | [C][=C][C@@][Branch1][C][C][Branch1][C][O][C][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][O][C][O][C@@H1][Branch2][=C][=Branch2][O][C@@H1][C@@H1][Branch2][Ring1][S][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][P][O][C@@H1][O][C][C@][Branch1][C][O][Branch1][Ring1][C][O][C@H1][Ring1]... |
CHEMBL503858 | [C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O] |
CHEMBL503860 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][=Branch1][O][C@@H1][O][C@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][... |
CHEMBL504052 | [C][C@@][C][C@H1][O][C][=Branch1][C][=O][C@@H1][Ring1][#Branch1][C][O][C@][O][C@@][Branch1][Branch2][C@H1][Ring1][=N][C][Ring1][Branch1][=O][C@@][Ring1][=C][Branch1][C][C][O][C][=Branch1][C][=O][C@@][Ring1][#Branch2][Branch1][C][O][C][C][C@H1][C@H1][Ring1][P][C][=C][C][=C][C@H1][Branch1][C][O][C][C][=Branch1][C][=O][C@... |
CHEMBL502077 | [C][C@@H1][Branch1][C][O][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][N][=O][C]... |
CHEMBL501569 | [C][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch1][C][O][C][C@][Branch3][Ring2][Ring1][O][O][C@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@H1][Branch3][Ring2][C][Ring2][O][C@@H1][C@@H1][Branch1][Ring1][C][O][O][C@@H1][Branch3][Ring1][S][=N][O][C][C][C][C][C][S][C][C][C][Si][Branch2][#Branch1][N][C][C][C]... |
CHEMBL152893 | [C][C][Branch1][C][C][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=Ring1][P][/C][=C][/C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O-1].[Na+1] |
CHEMBL504357 | [O][=C][Branch2][Branch2][=N][O][C@H1][C][Branch1][C][O][O][C@@H1][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2][C][=C][Branch1][C][O][C][Branch1][C][O][=C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][O][C][Branch1][C][O][=C][Branch1][C][O][C][O][C][=Bran... |
CHEMBL504363 | [C][C@@H1][O][C@@H1][Branch2][Branch1][O][O][C][C@H1][O][C@@H1][Branch2][Ring1][C][O][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][... |
CHEMBL504800 | [C][C][C@@][Branch1][C][C][C][C][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C][C][C@@][Branch1][C][C][C@@H1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C@H1][Branch1][Ring1][C][=O][C@@][Ring1][O][Branch1][C][C][C@@H1][Branch1][P][O][C][=Branch1][C][=O][C][C][Branch1][C][C][O][C][Branch1][C][C][=O][C][C@H1][Ri... |
CHEMBL504899 | [C][O][C][=C][C][=C][C][Branch2][=Branch1][N][O][C@@H1][C][C@@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][N][Branch2][Ring1][O][C][=Branch1][C][=O][C@@H1][Branch1][#C][... |
CHEMBL504902 | [C][C][C@H1][Branch1][C][C][C@H1][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@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branc... |
CHEMBL504907 | [C][O][C][=C][C][Branch2][Branch1][=N][/C][=C][/O][C][=Branch1][C][=O][C@H1][C][C][C@@H1][Branch2][Ring2][#Branch2][N][Branch1][C][C][C@H1][C][C][C@@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][C][Ring2][Ring1][B... |
CHEMBL504909 | [C][=C][C@H1][Branch1][C][Cl][C@@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@][Ring1][#Branch1][O][C@@][Ring1][N][Branch1][C][O][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Branch1][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C... |
CHEMBL505023 | [N][C][C@@H1][O][C@H1][Branch2][=Branch1][=Branch2][O][C@@H1][C@@H1][Branch2][Ring1][Ring1][C][N][C][=C][Branch1][=Branch2][C][C][C][C][C][N][Ring1][=Branch1][N][=N][Ring1][O][O][C@@H1][Branch2][Ring2][#Branch1][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C][C@H1][Branch1][C][N][C@H1][Ring1][=Branch2][O][C@H1]... |
CHEMBL505029 | [C][C@H1][C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C][=Branch2][Branch1][Ring2][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][P][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C@@H1][Ring2][Ri... |
CHEMBL505033 | [C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][N][O][C][C][C][C][C][C][=Branch1][C][=O][O][=C][Ring1][#C][F][C][=Branch1][C][=O][N][Branch1][=C][C][C@H1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][P][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C... |
CHEMBL505036 | [O][=C][Branch2][Ring1][Ring2][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][C][Branch2][Ring2][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][C]... |
CHEMBL4115984 | [O][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][N][C][C][C][N][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][=N] |
CHEMBL1207979 | [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] |
CHEMBL526516 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1]... |
CHEMBL526681 | [C][/C][=C][\N][C][=Branch1][C][=O][C@H1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch2][Branch2][O][N][C][=Branch1][C][=O][C@... |
CHEMBL526682 | [C][C][Branch1][C][C][C][C@H1][Branch2][=Branch1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C]... |
CHEMBL526684 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Ring2][C][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][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][N][C][=Branch1][C][=O][C][C@H1][Branch2][=C][Branch1]... |
CHEMBL525441 | [C][=C][C][Branch1][C][C][Branch2][O][N][C][C][/C][=C][Branch1][Ring1][\C][O][C][=Branch1][C][=O][O][C@H1][C][C@@][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][=Branch2][C][C][Ring1][=Branch2][Branch1][C][C][C][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][=Branch1][O][O][C@@H1][O][C@H1][Branch... |
CHEMBL538627 | [N][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][#Branch2][C][S][C@H1][C][C][N][C][Ring1][Branch1][C@@H1][Branch1][C][O][C@H1][Ring1][=N][O] |
CHEMBL538639 | [C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch1][O] |
CHEMBL506642 | [C][C][N][C][=Branch1][C][=S][N][/N][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][O] |
CHEMBL506649 | [C][C][C][C][C@H1][Branch1][Branch2][C][N][Branch1][C][O][C][=O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] |
CHEMBL498905 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1] |
CHEMBL498921 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C@H1][C][C][O][C][Ring1][Branch1][=O] |
CHEMBL499581 | [C][C][C][C][C@H1][Branch2][Ring2][Branch1][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][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][B][O][C@@H1][C][C@@H1][C][C@@H1][Branch1][Branch2][C][Ring1][Ring2][Branch1][C][C][C][C@][Ring... |
CHEMBL499583 | [C][=C][C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=C] |
CHEMBL502312 | [C][C][=Branch1][C][=O][O][C@H1][C][=Branch1][C][=O][C@][Branch1][C][C][C@@H1][Branch1][C][O][C][C@H1][O][C][C@@][Ring1][Ring2][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring1][=C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Branch1][C][O][C][C@H1][Branch2][Ring2][#Branch... |
CHEMBL501315 | [C][O][C][=C][C][=C][C][Branch2][Branch1][=Branch1][C][C][N][Branch2][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][S][C][N][C][C@H1][Branch1][C][C][N][C@H1][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring2][Br... |
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