chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4277213 | [C][#C][C][O][C][=C][C][=C][Branch2][Branch1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch2][C][N][Branch1][C][C][C][C][C][C@@][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][Ring2][Ring1][C][C][=C][Ring2][Ring1][=C][C][=C][Ring2][Ring2][=Branch1] |
CHEMBL4277214 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][O][C][C][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][Branch2][Ring1][N][C][C][Ring2][Ring1][#C] |
CHEMBL4277215 | [C][O][C][C][C][C][C][N][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][S][C][=Ring1][=N][Ring1][P] |
CHEMBL4277216 | [C][S][C][C][C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][O] |
CHEMBL4277305 | [F][C][Branch1][C][F][C][C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][O][C][Ring2][Ring1][P] |
CHEMBL4277306 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][/C][=N][/N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][=C][Ring2][Ring1][=N] |
CHEMBL4277307 | [C][N][C][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][C][O][C][Ring2][Ring1][N][=O] |
CHEMBL4277308 | [O][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2] |
CHEMBL4237391 | [N][#C][C][=N][C][Branch1][P][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=N][C][Branch1][#Branch2][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1] |
CHEMBL4237392 | [C][C][Branch1][C][C][Branch1][C][C][C][O][C][O][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4237393 | [N][C][=C][C][=Branch2][Ring1][=Branch1][=N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=C][Ring1][#Branch2][N][C][C@H1][C][C][C][N][C][C][C][C@@H1][Branch1][=Branch1][C@H1][Ring1][#Branch2][Ring1][=Branch1][C@H1][Ring1][=N][C][C][Ring2][Ring1][N] |
CHEMBL4237396 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][Ring2][Ring1][=Branch2] |
CHEMBL4237401 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][=C][Ring2][Ring1][Branch1] |
CHEMBL4237636 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=C][Branch2][Ring1][Ring2][N][C][Branch1][O][C][C][C][C][C][=Branch1][C][=O][N][O][C][C][C][Ring1][N][C][=Branch1][C][=O][C][Ring2][Ring1][C][=O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4237637 | [C][C][Branch1][C][C][=C][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][O][Ring1][S] |
CHEMBL4237641 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][S][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][=Branch2] |
CHEMBL4237642 | [C][O][C][=C][C][=C][Branch2][Branch1][Branch2][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=C][C][=C][C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][=C][Ring1][=N][C][Branch1][#C][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][#C][C][=C][Ring2][Ring2][#Branch1] |
CHEMBL4237646 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][N][Ring1][O][O][=C][Ring2][Ring1][C] |
CHEMBL4237649 | [C][C][Branch1][C][C][C][C][C][C@][Branch1][C][C][Branch2][Ring2][P][C@H1][C][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][C][C@@H1][C@@][Branch1][C][C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C@@H1][Branch1][C][O][C][C@][Ring1][#C][Ring2][Ring1][Branch1][C][O][Ring2][Ring1][P] |
CHEMBL4237917 | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][C][C@H1][Branch1][O][O][C][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][Ring1][O][O] |
CHEMBL4237918 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][N][=C][Ring2][Ring1][C][Ring1][=C] |
CHEMBL4237919 | [C][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][N][C][C][C@@H1][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][C][C][Ring1][#Branch1][C][Ring1][P][=C][Ring2][Ring1][=N] |
CHEMBL4237922 | [C][C][/C][=Branch2][Ring1][P][=C][Branch1][N][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][O][C][C][N][Branch1][C][C][C][C][=C][Ring1][N][C][=C][C][=C][Branch1][O][C][C][C][C][C][=Branch1][C][=O][N][O][C][=C][Ring1][=C] |
CHEMBL4237924 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4237925 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4237926 | [C][C][C][=C][C][=C][N][=C][C][Branch1][C][O][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][Ring1][=Branch2][=N][C][Ring1][=N][=C][Ring1][P] |
CHEMBL4238207 | [C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][C][=Ring1][#C][C][=C][C][=N][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring2][=N][Ring1][#Branch2] |
CHEMBL4238211 | [C][C][=C][C][=Branch2][Ring1][C][=N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=C][Ring1][#Branch2][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Ring2][Ring1][#Branch1].[Cl] |
CHEMBL4238212 | [C][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][N][=Ring1][Branch1][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][O][=C][Ring2][Ring1][#Branch2] |
CHEMBL4238213 | [C][=C][C][=Branch1][C][=O][C@@][C@@H1][Branch1][=N][C@@H1][Branch1][C][O][C][C@@H1][Ring1][=Branch2][C@H1][Ring1][#Branch1][O][C@][C][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][Branch2][C][C@H1][Ring2][Ring1][C][O][C@@H1][Ring1][N][O][C][C][N][C][=C][Branch1][=Branch2][C][C][C][C][C][C][C][C][N][=N][Ring1][=N] |
CHEMBL4238216 | [C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][C][C][Ring2][Ring1][P] |
CHEMBL4238218 | [C][O][C][=Branch1][C][=O][C][C][C@@][Branch1][C][C][C@H1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C@][Branch1][C][C][C@@H1][Ring1][=N][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][=C][Ring2][Ring1][Ring2][C] |
CHEMBL4238467 | [O][=C][Branch1][#C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][=C][C][=C][C][Branch2][Ring1][Branch2][C@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Branch1] |
CHEMBL4238468 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
CHEMBL4238471 | [C][C][C][C][=C][N][Branch2][Ring2][Branch1][C][C][=C][C][=C][N][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][Ring1][N][=N][C][Ring1][S][=C][Ring2][Ring1][Ring2][N][=N][Ring2][Ring1][#Branch2] |
CHEMBL4238477 | [C][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][O][C][C][C][N][Branch1][C][C][C] |
CHEMBL4238479 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C@@H1][Ring1][Branch1][C][C][N][C][C][N][Branch1][=C][C][=C][C][=C][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4238777 | [Cl][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][N][=C][Branch1][N][C][N][C][C][C][C][N][C][C][Ring1][=Branch1][O][Ring1][=C][C][Branch1][C][Br][=C][Ring2][Ring1][Branch1] |
CHEMBL4238778 | [C][C][C][C][Branch1][C][C][O][/N][=C][Branch1][C][/C][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][Branch1][C][C][Branch1][C][C][C@H1][C][C][=C][Branch1][C][C][C][C@H1][Ring1][=C][Ring1][#Branch1] |
CHEMBL4238783 | [C][C][=C][C][Branch1][=C][N][C][C][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][=Branch2][=C][C][Branch1][C][C][=C][Ring1][S][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4238785 | [C][O][C][=C][C][Branch2][Ring1][Branch2][/C][=C][/C][=Branch1][C][=O][N][C][C][C][/C][=Branch1][#Branch1][=C][/C][Branch1][C][C][C][C][Ring1][#Branch2][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4239032 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][S][Ring1][=C][=C][Ring2][Ring1][Branch2] |
CHEMBL4239035 | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][Ring2][#Branch1][N][C][=N][C][=C][C][NH1][C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][=Branch1][=Ring2][Ring1][C][C][=Branch1][C][=O][O] |
CHEMBL4239038 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][C][C@@H1][Branch1][C][O][C@@H1][C@@H1][Ring1][=Branch2][C][C][C@@][Branch1][C][C][C@H1][Ring1][#Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4239055 | [C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][Si][Branch1][C][C][Branch1][C][C][O][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4239057 | [C][C@@H1][Branch1][C][O][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][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][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C@@H1][Branch1][C][C][O][C][C][N][C][Ring2][#Branch1][=C][=O] |
CHEMBL4239058 | [C][C][Branch1][C][C][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][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=C][C][C][=Branch1][C][=O][N][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][C][Branch1][C][C][C][N][C][Ring2][Branch1][Branch1][=O] |
CHEMBL4239065 | [O][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][C][C][Ring1][Branch2][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring2][Ring1][C] |
CHEMBL4239321 | [C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][P][C][=C][Branch1][P][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][O][C][Ring1][P][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][O] |
CHEMBL4239322 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][=Branch1] |
CHEMBL4239326 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Branch2] |
CHEMBL4239329 | [O][=C][Branch1][#C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2][N][C][C][/C][=Branch1][N][=N][\O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] |
CHEMBL4239619 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][O][C][=C][C][=Branch2][Ring1][=Branch1][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][Branch2][C@@][Ring1][O][Branch1][C][C][C][Ring1][P][=O][O][/C][=Branch1][=N][=C][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4239621 | [F][C][=C][C][=C][Branch2][Ring1][=N][/C][=C][/C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][/C][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4239627 | [C][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1] |
CHEMBL4239630 | [C][O][C@H1][C][C@H1][Branch2][Ring2][=N][O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][C][C][=C][Branch1][#Branch2][O][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][#C][=C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][N] |
CHEMBL4239884 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][C][=C][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Ring1][S][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1][C][=N][Ring2][Ring1][=N] |
CHEMBL4239886 | [C][C@@H1][Branch2][Ring2][#C][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][=C][Branch1][N][C][=C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring1][#Branch2][Ring1][=N][C][C][C][Ring1][Ring1] |
CHEMBL4239887 | [C][C][C][C][=C][Branch1][C][O][C][=C][O][C][=C][C][=C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Ring1][#Branch2][=C][Ring1][#C][O] |
CHEMBL4239891 | [C][C][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Branch1][C][O][C][=Branch1][C][=O][N][Ring1][P][C][C][C][C][O] |
CHEMBL4239894 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][S][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][N][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C] |
CHEMBL4240159 | [C][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N] |
CHEMBL4240161 | [O][=C][Branch1][P][/C][=C][/C][=N][C][=C][N][Ring1][Branch1][C][C][=C][S][C][=Ring1][Branch1][/C][=C][/C][=N][C][=C][N][Ring1][Branch1][C][C][=C][S][C][=Ring1][Branch1] |
CHEMBL4240162 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][C][C@H1][Ring1][#Branch1][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] |
CHEMBL4240163 | [C][C@H1][Branch1][O][C][C][C][C][C][=Branch1][C][=O][N][O][N][C][=C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][Ring1][#C][=O] |
CHEMBL4240164 | [O][=C][Branch1][Ring1][C][Cl][N][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring2] |
CHEMBL4240451 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][=C][Ring1][N] |
CHEMBL4240456 | [C][C][Branch1][C][C][C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][C][C][O][C][C@@H1][C][N][C][C][O][Ring1][=Branch1][C][=C][Ring1][P] |
CHEMBL4240458 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][S][Ring1][=C][=C][Ring2][Ring1][Branch2] |
CHEMBL4240461 | [C][C][=C][C][Branch2][Branch1][#Branch1][S][C][Branch2][Ring1][Branch1][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][S][=C][C][=C][Ring2][Ring2][Ring2][O][C][C][=Branch1][C][=O][O] |
CHEMBL4240463 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C@H1][C][C][C@H1][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4240740 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Branch1] |
CHEMBL4240742 | [C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][=C][S][C][=N][Ring1][Branch1] |
CHEMBL4240747 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][N][C][S][C][=Branch1][C][=S][N][C][C][P][=Branch1][C][=O][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4240748 | [C][O][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4240763 | [C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][S][Ring1][=Branch1] |
CHEMBL4240764 | [O][=C][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4241050 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C@H1][Ring1][Branch1][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S] |
CHEMBL4241053 | [O][=C][C][C][C@@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][Ring2][Ring1][C] |
CHEMBL4241054 | [C][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][C][=N][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch1][O][N][C][C][C][Branch1][C][N][C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][=Branch2] |
CHEMBL4241055 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][Ring1][C][Branch1][C][C][C][=N][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][Ring1][=Branch2][N][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][N] |
CHEMBL4241062 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][/C][Ring1][N][=C][/N][N][C][=N][N][=C][Branch1][C][C][C][Branch1][C][O][=N][Ring1][Branch2] |
CHEMBL4241063 | [C][O][C][=C][C][=C][Branch2][Ring2][#C][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][=N][C][Ring2][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][P][O][C] |
CHEMBL4241066 | [C][C][=C][S][C][=C][Ring1][Branch1][C@H1][Branch2][Ring1][S][C][C][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@@H1][Branch1][S][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring1][S][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2] |
CHEMBL4241303 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Ring1][Branch1][C][N][Ring1][Branch1][C][=Branch1][C][=S][S][C][Branch1][#Branch1][C][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4241305 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][S][Ring1][=C][=C][Ring2][Ring1][Branch2] |
CHEMBL4241306 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4241308 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@H1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][Ring1][=N] |
CHEMBL4241601 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][N][C][C][C][C][N][C][C][Ring1][=Branch1][O][Ring1][=C] |
CHEMBL4241603 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2][C] |
CHEMBL4241613 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4241615 | [C][C][Branch1][C][C][C][=C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][=Branch1][C][=O][N][O][=C][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1][=C][Branch1][C][O][C][=C][Ring2][Ring1][#C][O] |
CHEMBL4241619 | [C][/C][=Branch2][Ring2][Branch1][=C][/C][C][=C][Branch1][C][O][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][=C][Ring2][Ring1][Ring1][O][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL4241902 | [C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][C][=Ring1][#C][C][=C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][O] |
CHEMBL4241909 | [C][#C][C][O][C@H1][O][C@@H1][C][C@@H1][C][Branch1][C][C][Branch1][C][C][C][C][C][C@][Ring1][N][Ring1][Branch2][C@@H1][C@@H1][Branch1][C][O][C][C@H1][C][=Branch1][C][=C][C][=Branch1][C][=O][C@][Ring1][#Branch2][Ring2][Ring1][Ring2][C@@H1][Ring1][#Branch1][O] |
CHEMBL4241911 | [Cl][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][=C][N][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][S][=N][Ring2][Ring1][S] |
CHEMBL4242149 | [O][=C][C][Branch1][C][O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][#C][Ring1][Branch1] |
CHEMBL4242152 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][=O][C][Branch1][Branch1][/C][=C][/C][=O][=C][Ring2][Ring1][#Branch1] |
CHEMBL4242154 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][C][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][N][Ring1][P][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4242157 | [O][=C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][Ring2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] |
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