chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4202683 | [C][C][=C][Branch1][C][C][C@@][Branch2][Branch1][=Branch2][C][C@@H1][Branch1][C][C][C@H1][C@H1][Branch2][Ring2][O][C][C@@][Branch1][C][C][C][=C][C][=C][Branch1][N][C][Branch1][C][C][Branch1][C][C][/C][=C][/C][O][C][Branch1][C][C][=C][Ring1][=C][C][=Branch1][C][=O][C][C@][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2][C][... |
CHEMBL4202684 | [O][=C][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][=Branch2][N][C][C][=C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][=Ring1][=C] |
CHEMBL4202685 | [C][C][N][C][C][N][Branch2][=Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][S][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch2][Ring2][Branch1][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Bra... |
CHEMBL4202686 | [C][N][C][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N][N][=C][C][=C][Ring1][=C][Ring1][Branch1] |
CHEMBL4202771 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][NH1][C][=Ring1][=N][C][=C][Ring1][P][O][C][=C][Ring2][Ring1][N] |
CHEMBL4202772 | [C][O][C][=C][C][=C][Branch2][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][NH1][Ring1][#C][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4202773 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4202774 | [C][O][C@H1][C][C@H1][Branch2][Branch1][P][O][C@H1][C@@H1][Branch1][Ring1][O][C][C][C@H1][Branch2][Ring2][#C][O][C@@H1][C][C][=C][C][C@H1][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][N][C][=C][C][=Branch1][C][=O][O][C@H1][Ring1][=Branch1][C][C][C][C@@H1][Ring1][#C][C@@][Ring2][Ring1][Ring1][Branch1][C][C][C][C@H1]... |
CHEMBL4202775 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch2][Ring2][#Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][N][=N][N][Ring1][Branch1... |
CHEMBL4202776 | [C][N][C][C][N][Branch2][Ring1][S][C][=C][C][Branch2][Ring1][Ring2][C][N][Branch1][C][C][C][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][#Branch2][=C][C][=N][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2] |
CHEMBL4202777 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][C][N][C][C][C][Branch2][Ring1][O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][#C] |
CHEMBL4202870 | [C][C][NH1][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][/C][=C][/C][=C][NH1][C][Branch1][C][N][=N][Ring1][=Branch1][=C][C][=Ring1][P][Cl] |
CHEMBL4202871 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][Branch2][Ring1][=N][O][C][C][C][C][N][C][C][N][Branch1][=C][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][=C][C][=N][Ring2][Ring1][#Branch2] |
CHEMBL4202872 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][N][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][C][C][=C][N][Ring1][#Branch2][Ring1][#Branch1][S][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][O] |
CHEMBL4202873 | [C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1] |
CHEMBL4202974 | [C][C][C][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][=Branch2][C] |
CHEMBL4202975 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=N][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][C@@H1][C][C][=C][C][C@H1][Ring2][Ring1][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] |
CHEMBL4202977 | [O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][/C][=Branch2][Ring2][#Branch2][=C][/C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][S][C][Ring2][Ring1][#C][=S... |
CHEMBL4202978 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][=C][Ring2][Ring1][S] |
CHEMBL4202979 | [C][C][=N][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4202980 | [C][C][C][C][C][C][C][C][C][C][N][Branch2][Ring1][N][C][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=N][C][=Branch1][C][=O][NH1][C][=C][Ring1][#Branch1][F] |
CHEMBL4202981 | [O][=C][Branch2][Ring1][Branch1][N][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][O][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring2][C][C][N][C][S][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch1][C][C][C]... |
CHEMBL4202982 | [C][O][C][=Branch1][C][=O][N][C@H1][Branch2][Branch2][#Branch2][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][C][=C][C][=C][Branch2][=Branch1][=N][C@H1][C][C][C@H1][Branch2][Ring2][=N][C][=C][C][=C][N][=C][Branch2][Ring1][O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][... |
CHEMBL4202983 | [C][=C][C][O][C@@H1][O][C@H1][Branch2][=N][Ring1][C][N][C][=C][Branch2][N][#Branch1][C][C][C][C][=Branch1][C][=O][O][C@H1][C][C@H1][O][C][C@@][Ring1][Ring2][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Branch1][C][O][C][C@H1][Branc... |
CHEMBL4202985 | [C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][Ring2] |
CHEMBL4202986 | [Cl].[N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
CHEMBL4203085 | [C][C][Branch1][C][C][=C][C][C][=C][Branch1][C][O][C][=C][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][N][=C][Ring1][P][O] |
CHEMBL4203087 | [C][O][C@@H1][C][C@H1][Branch2][Ring2][P][O][C@H1][C][C][C@@][Branch1][C][C][C][=Branch2][Ring1][P][=C][C][C@@H1][C@@H1][Ring1][#Branch1][C][=Branch1][C][=O][O][C@@][Ring1][=Branch1][C][C][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@][Ring1][#Branch1][Ring1][#Branch2][C][C][Ring2][Ring1][=Branch2][O][C@H1][Bran... |
CHEMBL4203088 | [C][C][C][C][C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][NH1][C][Ring1][=N][=C][Ring2][Ring1][C] |
CHEMBL4203089 | [Cl].[O][=S][=Branch1][C][=O][Branch1][=Branch2][N][C][=C][S][C][=N][Ring1][Branch1][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][=C][O][C][C@@H1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][C][C@H1][Ring1][=N][N][C][C][C][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][F] |
CHEMBL4203090 | [C][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=Ring1][O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4203176 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][C][#C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][Branch1][C][O][=C][Ring2][Ring1][=Branch2][C] |
CHEMBL4203177 | [C][O][C][=C][C][=C][Branch1][P][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][Branch1][C][F][=C][Ring1][P] |
CHEMBL4203178 | [O][=C][Branch2][Ring1][=Branch2][C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O-1][N][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][=C][Ring1][O].[Na+1] |
CHEMBL4203179 | [C][C][N][C][C][C][Branch2][Branch1][=C][N][C][C][C][=N][C][Branch2][Ring2][O][N][C][=N][C][=C][Branch1][C][F][C][Branch2][Ring1][O][C][=C][C][Branch1][C][F][=C][N][=C][Branch1][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2][=C][Ring1][=C][=N][Ring2][Ring1][Branch1][=C][C][=C][Ring2][Ring1][N][C][... |
CHEMBL4203180 | [C][C@H1][Branch2][Ring1][#Branch1][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][O][/C][=C][\C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4203270 | [C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][O][C][C][C][=C][Ring1][O][NH1][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][O] |
CHEMBL4203271 | [C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=O][=C][C][=C][Ring2][Ring1][Branch1][N+1][=Branch1][C][=O][O-1] |
CHEMBL4203272 | [C][C][C][C][C][C][C][C][C][C][C][C][N][C][=C][Branch2][=Branch1][Ring2][C][O][C@H1][Branch2][Branch1][#Branch1][C][P][=Branch1][C][=O][Branch1][C][O][O][C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][=C][C][=C][Branch1][=Branch2][C][=... |
CHEMBL4203273 | [O][=C][Branch2][Ring2][=Branch1][N][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][O][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL4203274 | [C][C][Branch1][C][C][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][S][/C][=Branch1][=N][=C][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][=C][=O] |
CHEMBL4203275 | [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] |
CHEMBL4203381 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][C][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4203382 | [C][O][C][=Branch1][C][=O][C@@][O][C][=C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][=C][=C][Branch1][C][O][C][C@H1][Branch1][C][C][C@H1][Ring1][N][O][C][Ring1][P][=O][C][=C][C][Branch1][C][O][=C][Ring2][Ring1][=C][C][=... |
CHEMBL4203384 | [O][=C][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][=C][N][=C][C][=C][Ring1][P][Ring1][=Branch1] |
CHEMBL4203385 | [N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][=C][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][N][Ring1][=C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] |
CHEMBL4203386 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][C][=C][C][=C][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4203387 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][Ring1][N][C@@H1][Branch1][C][C][C][=C][NH1][C][=C][C][=C][C][... |
CHEMBL4203388 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][C][Ring2]... |
CHEMBL4203468 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][P][C][Branch1][C][C][C][Branch1][C][O][C][S+1][Branch1][C][O-1][C][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL4203469 | [C][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][Branch2] |
CHEMBL4203471 | [C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][#Branch1][C][=C][C][=C][C][Branch2][Ring1][O][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][Ring1][#Branch1][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][=C] |
CHEMBL4203472 | [Cl][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][C][Branch1][Branch2][C][=C][NH1][N][=N][Ring1][Branch1][=C][Ring1][O][=C][Ring2][Ring1][Ring1] |
CHEMBL4203568 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][Ring1][Branch1][=O][C][=C][Ring1][=C][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4203569 | [C][C][=C][Branch1][Ring1][C][O][C][=Branch1][C][=O][O][C@@H1][Branch2][Branch1][#Branch2][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][C][C@H1][O][C@][Ring1][Ring1][C@@H1][Branch1][C][O][C@@H1][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][C@][Ring1][S][Branch1][C][C][C@H1][Ring2][Ri... |
CHEMBL4203570 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring2][N][C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][N][=N][N][=C][Ring1][=C][Ring1][Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][... |
CHEMBL4203571 | [C][O][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=C][C] |
CHEMBL4203572 | [O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C@H1][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C@H1][C][C][C][... |
CHEMBL4203573 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][=N][O][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring2][=N][C][N][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][Rin... |
CHEMBL4203574 | [C][O][C][=Branch1][C][=O][N][C@H1][Branch2][Branch2][Ring2][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][C][=C][C][=C][Branch2][=Branch1][#Branch1][C@H1][C][C][C@H1][Branch2][Ring2][=N][C][=C][C][=C][N][=C][Branch2][Ring1][O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][Branch... |
CHEMBL4203575 | [N][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL4203576 | [O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=C][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch1] |
CHEMBL4203577 | [C][S][C][=C][C][=C][Branch1][=Branch2][/C][=N][/N][C][Branch1][C][N][=S][C][=C][Ring1][N] |
CHEMBL4203660 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][N][C][C][C][Branch1][#C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][F][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][#Branch2].[Cl] |
CHEMBL4203661 | [N][C@H1][C][C][C@H1][Branch2][Ring2][=Branch2][N][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=N][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][#C] |
CHEMBL4203662 | [C][O][C][=N][C][=C][Branch2][Ring1][#C][C][C][=C][C][=N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][#C][C][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
CHEMBL4203663 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][N][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4203664 | [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][=Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][=Branch1][O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][N][=C][Ring1][N][C][C][C][N][Ring2][Ring1][Ring2][C][=Branch1][C][=O][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][O][C][C][C][C]... |
CHEMBL4203665 | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=C][N][Ring2][Ring1][C][C@H1][C][C][C@H1][Branch1][=Branch2][N][C][C][C][=Branch1][C][=O][O][C][C][Ring1][N] |
CHEMBL4203761 | [N][C][=N][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch2][Ring1][=Branch2][C][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][O] |
CHEMBL4203762 | [C][C][=C][C][=C][Branch2][=Branch1][Branch2][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Branch1][C][C][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][/C][=Branch2][Ring1][=C][=C][/N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][O-1][C]... |
CHEMBL4203763 | [C][O][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=N][C][=B... |
CHEMBL4203764 | [C][N][C][=C][C][C][=Branch1][N][=C][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch1][Ring1][#Branch2][C][=C][C][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][O][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring2][Ring1][#Branch2] |
CHEMBL4203765 | [C][C][Branch1][C][C][C][C@@H1][Branch2][#Branch2][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch2][#Branch1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][=Bran... |
CHEMBL4203766 | [C][C][N][C][C][N][C][C][C][N][C][Branch1][P][C][C][N][C][C][C][N][C][C][N][C][C][C][N][Ring1][=C][C][N][C][Ring2][Ring1][N] |
CHEMBL4203767 | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=C][N][Ring2][Ring1][C][C@H1][C][C][C@@H1][Branch1][N][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][O][C][C][Ring1][=N] |
CHEMBL4203860 | [C][O][C][=C][C][=C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][Branch1][C@][C][O][C@@H1][Branch1][C][C][C][C@H1][Ring1][#Branch1][C][S][C][Branch1][C][N][=N][Ring1][N][S][Ring1][P][=C][Ring2][Ring1][#Branch2] |
CHEMBL4203861 | [O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][/C][=N][/C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL4203862 | [C][C][=Branch1][C][=O][N][C][C][C][=C][Branch2][Ring2][C][C][Branch2][Ring1][C][C][=C][C][Branch1][C][C][=C][C][=C][C][=N][C][=C][Ring1][O][Ring1][=Branch1][=N][N][Ring1][S][C][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][#Branch2] |
CHEMBL4203863 | [C][O][C][C][N][C][C][C][N][=C][Branch2][Ring2][P][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring2][C][=C][Ring1][N][=C][C][Branch1][=Branch2][O][C@@H1][Branch1][C][C][C][O][C][=C][Ring2][Ring1][=Branch2][S][C][=Ring2][Ring1][P][C][Rin... |
CHEMBL4203864 | [C][O][C@@H1][C][C][/C][Branch1][C][C][=C][/C][C][Branch1][C][C][Branch1][C][C][/C][=C][/C][=Branch1][C][=O][C@H1][Ring1][#C][C][O] |
CHEMBL4203865 | [C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][/C][=C][/C][=Branch1][C][=O][C@][Branch1][C][C][Branch1][C][O][C@H1][C@H1][Branch1][C][O][C][C@@][Branch1][C][C][C@@H1][C@@H1][Branch1][C][O][C][=C][C@@H1][Branch2][Ring2][=Branch1][C][=C][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1... |
CHEMBL4203959 | [C][C][=C][C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][#C] |
CHEMBL4203960 | [C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][N][C][=C][Branch1][Ring1][C][#N][C][#N][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4203961 | [C][C][=N][C][Branch1][C][N][=C][C][=N][N][Branch2][Ring1][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][F][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Branch1][=N][Ring2][Ring1][#Branch2] |
CHEMBL4203962 | [C][C][C][Branch1][C][C][N][C][=C][N][=C][Ring1][Branch1][/C][=C][/C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] |
CHEMBL4204048 | [C][C][N][C][C][=C][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][C][C][N][C][=Branch1][C][=N][C][F][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring2][Ring1][O][C][Ring2][Ring1][=C][=O] |
CHEMBL4204049 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][=N][/C][=N][/N][C][=Branch1][C][=O][C][N][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][O][=C][Ring2][Ring1][=Branch2] |
CHEMBL4204050 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2... |
CHEMBL4204051 | [O][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][F][Branch1][C][F][F][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][#C][Br] |
CHEMBL4204144 | [C][C][=N][N][=C][S][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][N][=C][Branch1][C][N][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2][C] |
CHEMBL4204145 | [O][=C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][C][N][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4204147 | [C][C@H1][C][C][C@H1][Branch2][Ring2][O][C][=N][C][Branch2][Ring1][=N][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][S][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][O] |
CHEMBL4204148 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring2][Branch1][C][O][C][=Branch1][C][=O][C][P+1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C@@H1][C@@][B... |
CHEMBL4204149 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][... |
CHEMBL4204150 | [C][C][=C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][N][=C][Ring1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][O][C][=N][C][=N][C][C][=C][S][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][C][F][=C][Ring1][P] |
CHEMBL4204151 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=N][O][C][=Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] |
CHEMBL4204243 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=C] |
CHEMBL4204244 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][C][O][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=S][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][=C][Ring2][Ring1][O] |
CHEMBL4204245 | [C][O][C][=C][C][Branch2][Branch1][#Branch2][/C][=C][/C][=C][C][=C][Branch2][Ring2][N][O][S][=Branch1][C][=O][=Branch1][C][=O][C@@H1][C][C@@H1][O][C@H1][Ring1][Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ri... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.