chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL504192 | [C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][N][Ring1][=N][C][Ring1][P][Branch1][C][C][C] |
CHEMBL505686 | [C][=C][Branch1][C][C][C@@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][C@@][C][C@@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C@@][Branch1][Branch2][C][C][=C][Branch1][C][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=... |
CHEMBL505806 | [O][=C][Branch2][Ring1][=Branch2][/C][=C][/C][=C][C][=C][Branch1][=N][/C][=N][/O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][N][O] |
CHEMBL505819 | [C][O][C][=C][C][Branch2][=Branch1][=C][C@H1][C@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C@@H1][C][C@H1][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C][C@H1][Ring1][Branch2][C@@H1][Ring1][O][C][C@H1][Branch1][S][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C@H1][Ring2][Ring1][N]... |
CHEMBL505824 | [C][C@H1][Branch2][=Branch1][Ring2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][S][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C]... |
CHEMBL505923 | [C][=C][C@][Branch1][C][C][C][C][C@@H1][C@@][Branch1][C][C][C][C][C][C@][Branch1][C][C][Branch2][Ring2][C][C][O][C@@H1][O][C@@H1][Branch1][O][C][Branch1][C][O][O][C][Branch1][C][C][=O][C@H1][Branch1][C][O][C@][Ring1][N][Branch1][C][O][O][C][Branch1][C][C][=O][C@@H1][Ring2][Ring1][O][C][C][C@@][Ring2][Ring1][#C][Branch1... |
CHEMBL505924 | [C][=C][Branch1][C][C][C][=Branch1][C][=O][C][C][/C][Branch1][C][C][=C][/C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@H1][Branch2][Ring1][Ring2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@... |
CHEMBL505926 | [C][C@@H1][O][C@@H1][Branch2][=Branch2][N][O][C@H1][C@H1][Branch2][#Branch1][Branch2][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][=Branch1][Ring2][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@H1][C@][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Bran... |
CHEMBL505930 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C]... |
CHEMBL503623 | [C][C][=C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][=Branch1][C][=O][O][/C][Ring1][=Branch2][=C][\C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
CHEMBL4116124 | [C][C][N][C][C][N][Branch2][Ring2][#Branch2][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring1][=N][=O][C][C][Ring2][Ring1][#C] |
CHEMBL440438 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Bran... |
CHEMBL269289 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C@@][Branch1][Ring1][C][#N][C][C@@H1][C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@@H1][Ring1][Branch2][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1][O][C][C][C][C][Ring1][Ring1] |
CHEMBL386654 | [C][#C][C@H1][C][C][C@@H1][Branch1][Ring1][C][#N][N][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][C][C][C][C][Branch1][=C][C][C][Branch1][C][O][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][#Branch2][C][Ring1][O] |
CHEMBL402708 | [C][C][=Branch1][C][=O][C][S][C][Branch2][Ring2][P][N][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][C@H1][Ring1][O][C][N][C][C][C][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=C][=N][C][=Ring2][Ring2][Ring1][C] |
CHEMBL439267 | [C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL439395 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][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][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][Branch2][O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][... |
CHEMBL439400 | [C][C][Branch1][C][C][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=Branch2][Ring1][Ring2][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring2][Ring1][Ring1][=S] |
CHEMBL439551 | [C][C][Branch1][C][C][C@H1][Branch2][=Branch2][C][N][C][=Branch1][C][=O][C@@H1][C][S][S][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O... |
CHEMBL439555 | [C][C][=C][C][Branch1][C][C][=C][C][Branch3][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C@@H1][C][=Branch1][C][=O][N][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][Branch1][C][C][C... |
CHEMBL525749 | [N][=C][Branch1][C][N][N][C][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]... |
CHEMBL525930 | [C][/C][=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][=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][N][Branch1][N][C][=Branch1][C][=O]... |
CHEMBL525996 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][=C][C][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][N][Branch1][C][C][C][Ring1][#C][=O][C][C][Ring2][Ring1][=Branch2] |
CHEMBL526006 | [C][/C][=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][=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][C][N][C][=Branch1][C][=O... |
CHEMBL525413 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][C@@H1][Branch1][=C][N][C][C][=C][N][=C][N][Ring1][Branch1][C][Ring2][Ring1][=C][C][Ring1][=N][=O] |
CHEMBL4116125 | [O][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring1][=N][=O] |
CHEMBL154392 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][=Branch1][C][=O][O] |
CHEMBL154655 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][S][S][C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][... |
CHEMBL526343 | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][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][Branch3][Ring1][Ring2][S][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C]... |
CHEMBL526355 | [C][S][C][C][C@H1][Branch2][Branch2][=C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][#Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Bran... |
CHEMBL525428 | [C][C][#C][C][O][C][=C][C][=C][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][Branch2][Ring1][=N][C][C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][S] |
CHEMBL527864 | [C][N][C][C][N][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][N][C][=N][C][=C][Branch1][Ring1][C][#N][C][Branch1][#C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2][C][C][Ring2][Ring1][#C] |
CHEMBL1163233 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@@H1][C@@H1][Branch2][Ring1][Ring2][C@@][Branch1][C][O][C][C@@H1][Branch1][#Branch1][C][=C][Branch1][C][C][C][O][C][Ring1][#Branch2][=O][C][C][C@H1][Ring1][S][C@][Ring2][Ring1][Ring2][Branch1][C][C][C][C][C@H... |
CHEMBL526373 | [C][C][Branch1][C][C][C][C@@H1][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][O][N][Branch1][C][C][C][=Branch1][C][=O][C]... |
CHEMBL503330 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][/C][=C][/C][=C][Branch1][C][\C][C][C][C@H1][O][C@][Ring1][Ring1][Branch1][C][C][C][C][/C][=C][Branch1][C][\C][C][C][Ring2][Ring1][C] |
CHEMBL503400 | [C][O][C][=C][N][=C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][Ring1][=N] |
CHEMBL499978 | [C][C][=Branch1][C][=O][O][C@H1][C][=Branch1][C][=O][C@][Branch1][C][C][C@@H1][Branch2][Ring2][#Branch2][O][C][=Branch1][C][=O][/C][=C][/C][C@@H1][C][C@H1][C@@H1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@][Ring1][#C][Branch1][C][C][C@H1][Ring2][Ring1][Ring1][O][C][C@H1][O][C][C... |
CHEMBL499980 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=N][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branc... |
CHEMBL499990 | [C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch2][Ring2][#C][O][C][=C][C][Branch2][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C@H1][C][C][C][N][Ring1][Branch1][C][C][Branch1][C][C][C][=N][C][=N][Ring2][Ring1][O][C][=C][C][=C][Ring2][Ring2][C][S][Ring2][R... |
CHEMBL500085 | [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][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Bran... |
CHEMBL500088 | [C][/C][=C][Branch1][C][\C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][O][C@@H1][C][C@H1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C@][Branch1][C][C][Branch1][=Branch2][C][C][C][=Branch1][C][=O][O][C][C@H1][C][C][C@][Branch1][C][C][C][=Branch2][Ring1][Branch1][=C][C][C@H1][Ring1][=Branch1][C@H1][C][O][C@H1... |
CHEMBL500090 | [C][=C][S][C][Branch2][Ring1][Ring2][C][N][C][C][C][C][C][Branch1][Branch2][C][C][Ring1][#Branch1][C][Ring1][=Branch1][C][Ring1][=Branch2][=C][Ring1][S] |
CHEMBL500097 | [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][#Branch2][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][Branch2][O][C@@H1][O][C][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C]... |
CHEMBL500099 | [C][C][Branch1][C][C][C@H1][Branch2][Branch2][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@@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]... |
CHEMBL500236 | [C][C][=C][C][=C][C][Branch2][Ring1][=C][O][C][C][=C][N][Branch2][Ring1][C][C][C][N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][N][=C][Ring1][Branch2][C][N][=N][Ring1][S][=C][Ring2][Ring1][Branch2] |
CHEMBL500244 | [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... |
CHEMBL502307 | [C][C][=C][C][=C][Branch2][=Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][/N][=C][\C][C][C@][Branch1][C][C][C@@H1][C@@H1][Branch1][C][O][C][C][=C][Branch2][Ring1][=Branch1][C@H1][Branch1][C][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][C][C][C@][Ring1][S][Branch1][C][C][C@... |
CHEMBL502652 | [C][O][C][=C][C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][=C][Ring2][Ring1][C][N][C][=N][C][=C][C][Branch2][Ring2][=C][C][=C][Branch2][Ring1][=N][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#... |
CHEMBL502653 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][C][=C][C][=C... |
CHEMBL502655 | [N][=C][Branch1][C][N][N][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][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][Ring2][Ring2][Branch1][=O] |
CHEMBL502658 | [C][C][=Branch1][C][=O][O][C@@][C][O][C@@H1][Ring1][Ring2][C][C@H1][Branch1][C][O][C@@][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][S][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][C][C@@H1][Branch2][Ring1][P][O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@H1][Branch1][#Bran... |
CHEMBL502660 | [C][O][C@@H1][C@H1][Branch2][=Branch1][#C][O][C@@H1][C][O][C@@H1][Branch2][Branch1][=C][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][C@H1][Ring1][Branch2][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][Branch2][=C][Branch1][C][O][/C][=C][/C][=C][/C][=C][/C][=C][/C][=C][Branch1][C][Cl][/C][=C][Branch1][C][\C]... |
CHEMBL501689 | [C][C][C][C][=C][C][=C][Branch2][Branch2][=Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][=Branch1][C][=O][O][C@H1][C][C@@][Branch1][C][O][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C@][Branch1][C][C][B... |
CHEMBL501691 | [C][O][C][=C][C@@H1][Branch1][C][C][C@@H1][C][C@H1][O][C][Branch1][P][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C@H1][Branch1][C][O][C@H1][C][Branch1][C][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C@H1][Branch1][=N][C@@][Ring2][Ring1][O][Branch1][C][C][C][Ring2][Ring1][P][=O][C@... |
CHEMBL501694 | [C][C][=Branch1][C][=O][N][C@H1][C@@H1][Branch2][Branch1][Branch2][O][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][O][C@H... |
CHEMBL501699 | [C][C][=Branch1][C][=O][N][C@@H1][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][N][Branch2][Ring1][#Branch1][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=C][=O].[O][=C][Branch1][C][O][C][Branch1][C][F][B... |
CHEMBL501701 | [N][=C][Branch1][C][N][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][N][=C][Ring1][=C][N] |
CHEMBL501758 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=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][Ring2][C] |
CHEMBL501763 | [O][=C][Branch1][N][N][C][C][C][N][C][C][C][C][Ring1][Branch1][C@H1][C@H1][C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C@@H1][Branch1][=Branch1][C@@H1][Ring1][N][C][O][N][Ring1][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1... |
CHEMBL501766 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=N][Ring1][#Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][N][C][C][O][C][... |
CHEMBL501770 | [C][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][Branch1][C][N][=O][=C][Ring2][Ring1][Ring2] |
CHEMBL501954 | [C][O][/C][Branch1][C][C][=C][/N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][C][Branch1][C][O][=C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][S][Ring1][Branch2][N][=C][Ring1][#C][C][=C][S]... |
CHEMBL501957 | [C][O][C][=C][C][=C][C][Branch2][Branch1][#Branch1][O][C@@H1][C][C@H1][C][=Branch1][C][=O][N][C@][Branch2][Ring1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C@H1][Ring1][N][/C][=C][\C][C][C][C][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][O][C][Ring2][Ring1][=C][=C][C][Branch... |
CHEMBL501958 | [C][C][C][=C][C][=N][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Branch2][Ring2][O][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][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]... |
CHEMBL500076 | [C][C@H1][Branch2][#Branch1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C]... |
CHEMBL529226 | [C][C][=C][N][Branch3][Ring2][Ring1][#Branch2][C@@H1][O][C@@][Branch3][Ring2][C][=Branch1][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C@H1][O][C][C@][Ring1][Branch1][Branch3][Ring1][#C][N][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][... |
CHEMBL154463 | [C][C][C][C@@H1][Branch1][=Branch2][C][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][=Branch1][C][=O][O] |
CHEMBL541498 | [C][C][=Branch1][C][=O][/C][=C][Branch1][C][\O][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL4116121 | [C][N][Branch1][#C][C][/C][=C][/C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][=C][C][=C][C][C][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1] |
CHEMBL544585 | [Br].[O][C][=C][C][Branch2][Ring1][#Branch1][C][C][N][C][C][C][=C][Ring1][#Branch1][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][Cl][=C][C][=C][Ring2][Ring1][Ring2][Cl] |
CHEMBL540483 | [O][=C][C][=C][Branch2][=Branch1][P][C][=C][C][=C][Branch2][=Branch1][Branch1][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][C][=C][Branch2][Ring1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Rin... |
CHEMBL1163234 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][S][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL538928 | [O][=C][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][Ring1][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL539179 | [C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][=N][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][=N][C][C][C... |
CHEMBL539185 | [C][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][Ring2][Ring1][=Branch1] |
CHEMBL539138 | [C][O][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][/N][=C][\C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL500246 | [C][C][=C][C][=C][Branch2][Branch1][=N][/C][=C][\C][N][Branch1][C][C][C][C@@][Branch1][Branch1][C][Ring1][#Branch1][=O][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@@][Ring2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C]... |
CHEMBL508166 | [C][S][/C][=C][Branch1][C][/C][N][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][O][C][Ring1][=C][=O] |
CHEMBL508212 | [C][O][C][=Branch1][C][=O][C@@][Branch1][C][O][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring2][P][C][=Branch1][C][=O][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch2][C][C@@H1][Branch1][C][O][C@@H1][C@@H1][Branch2][Ring1][C][C@@][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][C][C][C@][Ring1][=... |
CHEMBL508213 | [C][C@@H1][O][C@@H1][Branch2][#Branch1][Branch2][O][C@H1][C@H1][Branch2][=Branch1][#Branch1][O][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Ring1... |
CHEMBL508215 | [C][C][=C][C][Branch2][Branch1][#Branch2][C][C@@H1][Branch2][Ring1][#C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][S][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C]... |
CHEMBL508218 | [C][C][Branch1][C][C][C][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][C][C][C][C][C@@H1][Branch2][#C][=C][O][C][=Branch1][C][=O][C][C@H1][Branch2][=C][#C][N][C][=Branch1][C][=O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][O][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][O][C][C... |
CHEMBL508221 | [C][C][Branch1][C][C][C][C@H1][Branch2][=Branch2][S][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][=C][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][=Branch1... |
CHEMBL508224 | [C][/C][=C][/C][=C][/C][=Branch1][C][=O][O][C@H1][C][C][C][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][Ring2][C][C][C][O][C][Ring1][#C][=O] |
CHEMBL503469 | [C][N][C][=C][Branch2][Ring1][O][C][=C][Branch1][=C][C][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][#C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring2][Ring1][#Branch2] |
CHEMBL500079 | [C][C][C][C][C][O][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][=C] |
CHEMBL500207 | [C][O][C][=C][C][Branch2][Ring1][Branch1][N][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][=C][C][=C][Ring2][Ring1][C][C][Branch1][C][N][=O] |
CHEMBL500219 | [C][C@H1][Branch2][=Branch1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][O][C][C][C][C][N][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][... |
CHEMBL500223 | [C][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][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][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branc... |
CHEMBL500234 | [C][C][C@@][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][Ring1][P][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][Ring1][#Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL500730 | [C][C][=C][Branch2][Ring1][N][C][C][C@H1][Branch1][C][C][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][O][C@H1][C][C@H1][C@@H1][C][C][C@@H1][C][C@@H1][Branch2][Ring2][Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][... |
CHEMBL156735 | [C][N][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch2][Branch1][=Branch1][N][C][C][N][C][C][N][Branch2][Ring2][#Branch1][C][C][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=C][... |
CHEMBL506996 | [C][C@H1][Branch2][Ring2][O][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N]... |
CHEMBL506998 | [C][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][C@@H1][N][C][=Branch1][C][=O][C][=C][C][C@@H1][Branch2][Ring1][N][O][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N][C][C][C@][Ring2][Ring1][=Branch2][Branch1][C][C][C@H1][Ring2][Ring1][S][C][C][C@][Ring2... |
CHEMBL507116 | [C][C][Branch1][C][C][P][=Branch1][C][=O][Branch1][C][O][C][=C][C][C][Branch1][C][N][C][Ring1][=Branch1] |
CHEMBL507121 | [C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C@@H1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][N][C][=Branch1][C]... |
CHEMBL507127 | [C][O][C][=C][C][=C][Branch2][Branch1][O][C][C@@H1][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][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][Ring2]... |
CHEMBL507128 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch2][#C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][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][#C][C][C][=C][NH1][C][=C][C][=C]... |
CHEMBL540488 | [N][#C][C][=C][Branch1][C][O][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1] |
CHEMBL541731 | [C][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][#Branch1][O][N][C][=Branch1][C][=O][C][=C][C][Branch2][=Branch1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][N][C][=Branch1][C][=O][C][=C][C]... |
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