chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4206137 | [C][C][Branch1][C][C][C@H1][O][C][=Branch1][C][=O][C][=C][C@@][Branch1][C][C][C][C][C][C@][Branch1][C][C][C][=Branch1][C][=O][O][C@@H1][Branch1][=Branch1][C@@H1][Ring1][#Branch1][Ring1][N][C@H1][O][C@][Ring1][S][Ring2][Ring1][Branch1][Ring1][Ring1] |
CHEMBL4206138 | [O][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][=N][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4206139 | [C][C][=C][C][=C][Branch2][=Branch1][O][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring2][Branch2][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch2][C][Branc... |
CHEMBL4206224 | [C][C@H1][C@H1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@][Ring1][O][Branch1][C][C][C][C][N][Ring1][=C][C][C][C][C][C][C][O] |
CHEMBL4206225 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][O][P][=Branch1][C][=O][Branch1][#Branch2][/C][=C][/C][N][Branch1][C][O][C][=O][O][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4206226 | [C][C@][C][C][C][C@@][Branch1][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][P][C@H1][Branch1][C][O][C][C][=C][C][C][=C][O][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][Ring2][Ring1][=N] |
CHEMBL4206227 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][Branch2][Ring1][Ring2][/C][=N][/N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Branch... |
CHEMBL4206228 | [O][=C][N][Branch2][Ring2][=C][C][=C][C][=C][Branch2][Ring2][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][N][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][=C][Ring2][Ring1][=Branch2][C][=N][N][Ring2][Ring1][=C][C][C][=C][C][=C][Branch1][#Branch2]... |
CHEMBL4206229 | [C][C][Branch1][C][C][=C][C][C][C@][Branch1][C][C][Branch2][Branch1][Ring2][O][C@@H1][O][C@H1][Branch2][Ring1][S][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][N][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C@H1][Branch1][C][O][C@H1][Ring1][S][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2... |
CHEMBL4206325 | [O-1][S+1][Branch1][S][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4206326 | [C][O][C][C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][N][Branch2][Branch1][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Bran... |
CHEMBL4206327 | [C][C][C][C][C][C][P+1][Branch1][#Branch1][C][C][C][C][C][C][Branch1][#Branch1][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][=C][C][=C][Branch2][Ring1][Ring2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1].[Cl-1] |
CHEMBL4206328 | [C][C@H1][Branch1][Ring1][C][O][N][C][=N][C][Branch2][Ring1][=C][N][C@H1][C][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][C][C][Ring1][P][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=N][Ring2][Ring2][Ring1] |
CHEMBL4206329 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4206330 | [O][=C][C][=C][Branch2][Ring1][Ring2][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O][C][=C][C][=C][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][O][Ring2][Ring1][P] |
CHEMBL4206331 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] |
CHEMBL4206332 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][O][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O] |
CHEMBL4206333 | [C][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][O][C][Ring1][=Branch1][C][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#B... |
CHEMBL4206420 | [C][C][O][C][=C][N][=N][N][Ring1][Branch1][C][C@H1][C][N][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][N][C][=C][Ring1][Branch2][C][Branch1][C][F][=C][Ring1][#C][C][=Branch1][C][=O][O][Ring2][Ring1][Branch1] |
CHEMBL4206421 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Branch1][#Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Br... |
CHEMBL4206422 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4206423 | [C][O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][O][C][C][C][C][C][Ring1][Branch1][C][N][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][O] |
CHEMBL4206424 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][/C][=C][\C][=C][C][Branch1][C][O][=C][C][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][Ring1][C][=C][Ring2][Ring1][O][O] |
CHEMBL4206425 | [C][C][C][=C][C][=C][C][Branch2][Branch1][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][Branch1][C][O][Branch1][O][C][C][C][N][C][=Branch1][C][=O][O][C][C@@H1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C@H1][Branch1][C][N][C][O][C][Ring1][=C][=C][Ring2][Ring2][Branch1] |
CHEMBL4206526 | [N][#C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][=C][N][=C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][Ring1][#C][Ring1][N][C][=C][Ring2][Ring1][=C] |
CHEMBL4206527 | [C][C][C][C][C][C][N][C][=N][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][=C][Branch1][=N][N][C@H1][C][C][C@H1][Branch1][C][N][C][C][Ring1][#Branch1][N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][=Branch2] |
CHEMBL4206528 | [O][=C][Branch1][C][O][C][C][C][C][=N][C][C][C][C][C][N][C][C][C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4206529 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Branch2][Ring1][=C][N][N][=C][Branch1][=C][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][Ring2][Ring1][C][C][Ring2][Ring1][=Branch2] |
CHEMBL4206624 | [C][C][N][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][=N][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][=N][=O] |
CHEMBL4206625 | [O][=C][C][=C][N][Branch2][=Branch1][N][C@@H1][O][C@H1][Branch2][Branch1][=N][C][O][P][=Branch1][C][=S][Branch1][C][S][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=S][Branch1][C][S][O][C][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch... |
CHEMBL4206626 | [C][O][C][=N][C][=C][Branch2][Ring2][Branch2][C][=C][C][=C][N][=C][N][Branch2][Ring1][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C]... |
CHEMBL4206627 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][=N][C][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CHEMBL4206628 | [C][C][=C][C][Branch2][Ring2][P][C][=Branch1][C][=O][N][C@H1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][Ring1][C][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][Ring2][Ring1][O][=O][=N][O][Ring2][Ring2][Ring2] |
CHEMBL4206629 | [C][O][C][C][O][C][C][O][C][C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][N][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][C][Ring2]... |
CHEMBL4206630 | [N][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CHEMBL4206631 | [C][O][C][=C][C][=C][C][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][O][C@H1][C@@H1][Branch1][C][C][C][C@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=Branch1][C][=O][/C][Branch1][C][C][=C][/C@@H1][C@H1][Branch1][#C][C][C][/C][Branch1][C][C][=C][\C@@H1][Ring2][Ring1][=Branch1][Ring2][Ring1][C][C][Ring1][=Branch2... |
CHEMBL4206632 | [O][=C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][Ring1][Branch2] |
CHEMBL4206721 | [O][=C][Branch1][C][O][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][=Branch1][Ring1][=C] |
CHEMBL4206722 | [O][=C][Branch2][Ring2][=C][C][N][C][C][N][Branch2][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][Branch2][N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]... |
CHEMBL4206723 | [C][C][Branch1][C][C][C][=N][C][Branch2][Ring2][=C][C][N][C][C][C][N][C][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][S][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring2][Ring1][#Branch1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Bra... |
CHEMBL4206724 | [C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][C][=N][C][=N][C][Branch2][Ring2][O][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][F][=C][R... |
CHEMBL4206725 | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][S][C][Branch1][C][F][Branch1][C][F][C][=C][N][=C][N][=C][Ring1][=Branch1][=C][C][=C][C][=C][N][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][N][=C][Ring2][Ring1][N] |
CHEMBL4206726 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][=C][Ring2][Ring1][Ring2][C][Branch1][C][F][=C][Ring2][Ring1][O] |
CHEMBL4206727 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][S][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] |
CHEMBL4206824 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][C][Branch1][C][O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][N][Ring1][O][C][C][Ring2][Ring1][Ring1] |
CHEMBL4206825 | [C][C][=C][C][Branch2][Branch1][Ring2][C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][=Branch1][C][=O][N][O][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][P][C][=C][Ring2][Ring1][O][=C][C][=C][C][=C][C][Ring1][=Branc... |
CHEMBL4206826 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4206827 | [C][O][C][=C][Branch1][C][Cl][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][O][C][Branch1][C][C][C] |
CHEMBL4206828 | [C][C][=C][C][=C][C][C][=C][Branch1][#Branch1][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C][Ring1][Branch2][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][O] |
CHEMBL4206829 | [C][C][Branch1][C][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch2][#Branch1][=Branch1][C][N][C][C][N][Branch2][=Branch1][=Branch2][C][=C][C][=C][Branch2][Branch1][=N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C@@H1][Bra... |
CHEMBL4206929 | [C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][S][C][=Ring1][P][C][=C][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring1][#Branch2] |
CHEMBL4206930 | [C][C][=C][C][Branch1][#C][C][=N][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2][=C][C][Branch1][C][C][=C][Ring1][#C][O][C][=C][C][=N][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][O] |
CHEMBL4206931 | [C][O][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C@@H1][Branch1][N][C][=C][N][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C@@][Branch1][C][O][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4206932 | [C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring2][Ring1][C] |
CHEMBL4207033 | [C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N] |
CHEMBL4207035 | [O][=C][Branch1][=N][N][/N][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL4207036 | [C][C][=C][C][=C][Branch2][#Branch1][C][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch2][Branch1][#Branch1][C][=C][C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][N][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][Bra... |
CHEMBL4207037 | [C][C][Branch1][C][C][Branch2][Ring2][C][C][=C][C][Branch1][=N][C][=C][N][=C][Branch1][C][N][C][=C][Ring1][#Branch1][F][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4207039 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch1][O][C@H1][C][C][C@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4207127 | [O][=C][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][C][=C][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][=C][Branch1][C][O][C][=N][C][=C][C][=C][Ring1][P][Ring1][=Branch1] |
CHEMBL4207128 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][C][N][C][C][C][Branch2][Ring1][Branch2][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][#C] |
CHEMBL4207129 | [O][=C][Branch2][Ring2][Ring1][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][Branch2][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][Branch2][N][O] |
CHEMBL4207130 | [C][C][O][C][C][=Branch1][C][=O][N][Branch1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][=Branch1][C][=S][N][Ring1][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4207224 | [C][N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][N][=C][Ring1][Branch2][C][=N][N][=C][Branch2][Ring1][C][S][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][S][Ring1][S] |
CHEMBL4207225 | [C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][S][C][=Ring1][P][C][=C][C][=N][C][Branch1][=C][N][C][=Branch1][C][=N][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][#C] |
CHEMBL4207226 | [C][#C][C][O][/N][=C][\C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Branch1][S][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][O][C][O][Ring1][Branch2][C][C@H1][Branch1][C][C][C@@][Ring2][Ring1][N][Branch1][C][C][O] |
CHEMBL4207227 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][#C][C][Branch1][C][C][N][C][C][C][Branch1][P][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][S][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4207314 | [C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][=Ring1][Branch2][Ring1][N][N][=C][Ring1][S][Ring2][Ring1][Branch1] |
CHEMBL4207315 | [C][C][=C][Branch1][C][Cl][N][=C][Branch1][Ring1][C][O][N][=C][Ring1][=Branch2][N][C][C][C@@H1][Branch1][#C][O][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C@@H1][Branch1][C][F][C][Ring1][P] |
CHEMBL4207316 | [C][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][#Branch2][Ring1][#Branch2] |
CHEMBL4207318 | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][=C][C][Branch2][Ring1][Ring1][C][=C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Ring1][O][=O][=C][C][=C][Ring2][Ring1][C][O] |
CHEMBL4207408 | [C][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][O] |
CHEMBL4207409 | [C][C][C][C][=N][N][Branch1][C][C][C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][=C][C][=C][C][Branch1][P][C][=C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][C][Ring1][#Branch2][=C][C][=C][Ring1][S][O][C][C][=N][C][Ring2][Ring1][=C][=Ring2][Ring1][#Branch2] |
CHEMBL4207410 | [N][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL4207411 | [C][N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][#C][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][Ring1][=C][=N][Ring2][Ring1][=Branch2] |
CHEMBL4207412 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][C][C][=C][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=C][Branch2][Ring1][C][C][C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N][O][O][Ring2][Ring2][... |
CHEMBL4207499 | [O][=C][Branch1][C][O][C][N][C][=C][Branch1][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][=Branch2] |
CHEMBL4207500 | [2H][C][Branch1][C][2H][Branch1][C][2H][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=N][Ring1][=Branch2] |
CHEMBL4207501 | [C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@H1][C][C][=Branch1][C][=O][O][C][Branch1][C][O][C][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring1][P][C][=C][N][Br... |
CHEMBL4207502 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][C][O][C] |
CHEMBL4207503 | [C][C@@H1][C][C@H1][Branch1][=N][C@@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][O][C@][Branch1][C][O][C@H1][Ring1][=N][C@@][Branch1][C][C][C][C][C@@][C][C@@][Ring1][Ring1][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][C][C][Branch1][C]... |
CHEMBL4207504 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C@H1][Branch2][=Branch1][#Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][O][C@H1][Branch1][S][C][C][N][Bra... |
CHEMBL4207505 | [O][=C][C][C][=C][C][Branch2][Ring1][Branch1][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring2][Ring1][C][N][Ring2][Ring1][Branch1] |
CHEMBL4207506 | [C][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][=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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][... |
CHEMBL4207507 | [C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][/C][=C][/C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2]... |
CHEMBL4207508 | [C][C][=C][Branch1][C][C][C@H1][Branch1][C][O][C@H1][Branch2][Branch1][Ring1][C@][Branch1][C][C][Branch1][C][O][C@][Branch1][C][O][C][C][C@@][Branch1][C][O][C@@H1][C][C@H1][O][C@][Ring1][Ring1][C][C][=C][C][=Branch1][C][=O][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][=N][C][C][C@][Ring2][Ring1][=Branch1][Ring2][Ri... |
CHEMBL4207603 | [O][=C][Branch1][C][O][C][C][C][=C][C][=C][Branch2][Ring1][#C][O][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][Cl] |
CHEMBL4207604 | [C][O][C][=C][C][Branch2][Ring2][=Branch2][C][N][C][C][N][Branch2][Ring1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][Ring2][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][S] |
CHEMBL4207605 | [O][=C][Branch2][Ring2][Ring1][N][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][C][=C][C][=C][Branch1][O][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL4207606 | [C][C@][C][C][C@@H1][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Branch1][C][O][C][=C][Ring1][=C][C][C][C@H1][Ring2][Ring1][C][C@@H1][Ring2][Ring1][=Branch1][C][C][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL4207607 | [C][#C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Branch1][=C][C][C][C][O][/N][=C][\C][=C][N][Branch2][Ring2][#Branch2][C@@H1][O][C@H1][Branch2][Ring1][O][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][C@@H1][Branch1][C][O][C@H1][Ring... |
CHEMBL4207608 | [C][C][Branch1][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=Ring1][O][N][Ring1][P] |
CHEMBL4207702 | [C][O][C][=C][C][=C][N][=C][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=C][Branch2][Ring1][=Branch1][N][C][C][C][N][C][=Branch1][C][=O][C][S][C][Ring1][=Branch1][C][=C][C][=C][NH1][Ring1][Branch1][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C] |
CHEMBL4207703 | [O][=C][Branch2][Ring1][=Branch2][N][C][C][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CHEMBL4207704 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C][=Branch2][Ring1][Ring1][=N][O][C][=Ring1][Branch1][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Ring2][Ring1][Ring2] |
CHEMBL4207705 | [C][C][Branch2][Ring1][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][Branch1][#Branch1][C][=Branch1][C][=O][N][O][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4207802 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C@H1][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C@@H1][Branch1][C][C][C][Ring2][Ring1][=Branch1] |
CHEMBL4207804 | [C][C][N][C][C][N][Branch2][Branch1][O][C][C][=C][C][=C][Branch2][Ring2][=C][N][C][=N][C][=C][Branch1][C][F][C][Branch2][Ring1][=C][C][=C][C][Branch1][C][F][=C][N][=C][N][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=N][Ring2][Ring1][=Branch1][N][=C]... |
CHEMBL4207805 | [C][C][C][=C][N][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][=Branch2][N][=C][Ring2][Ring1][=C][C][=Ring2][Ring2][C] |
CHEMBL4207806 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C][Branch2][Ring2][Ring2][C][C][C][C@@][Branch1][C][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][O][C][C][C@][Ring1][#C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][#C][... |
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