chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4237667 | [C][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] |
CHEMBL4237674 | [O][=C][C][C][C@@H1][Branch1][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=C] |
CHEMBL4237675 | [C][C][=C][C][Branch2][Ring2][#C][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][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][=C][C][=C][Ring2][Ring1][P][O][C][C][=Branch1][C][=O][O] |
CHEMBL4237681 | [C][#Branch2][Ring2][#Branch2][#C][C][N][C][C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4237682 | [O][=C][Branch1][O][N][C][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] |
CHEMBL4237960 | [N][C][C][=C][N][Branch1][S][C][O][C][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][=Branch1][C][=O][N][=Ring1][S] |
CHEMBL4237963 | [C][O][C@@][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][Ring1][O][=O][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][S][C@@H1][Ring1][P][Ring2][Ring2][Branch2] |
CHEMBL4237964 | [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][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][C][C][Ring1][#Branch1][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4237968 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=N][N][=C][Branch1][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4237970 | [C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][Ring2][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][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][Branch1][C][C][C] |
CHEMBL4237974 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=N][C][Branch1][C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][#Branch2][=C][Ring1][P] |
CHEMBL4237975 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@H1][C][C][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][Ring1][O][Ring1][=C] |
CHEMBL4237987 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][Ring1][C][#N][=N][C][Branch1][#Branch2][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4238237 | [O][=C][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#C][C][C][C][C][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] |
CHEMBL4238246 | [C][C][O][C][=Branch1][C][=O][C][N][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=Ring1][#C][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4238248 | [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][=N][C][=C][Ring1][=Branch1] |
CHEMBL4238251 | [C][O][C][O][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] |
CHEMBL4238493 | [C][O][C][=C][C][Branch2][Ring1][O][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL4238500 | [O][=C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4238506 | [C][C][=C][C][Branch2][Ring1][Ring2][C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Ring1][O][=C][C][=C][Ring1][P][S][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][O] |
CHEMBL4238512 | [C][=C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][N][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=Branch1][Branch2][=C][/C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C] |
CHEMBL4238520 | [N][#C][C][=C][C][=C][Branch2][Ring2][P][C][N][C][C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][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][Ring1][P][C][C][Ring2][Ring1][N][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4238809 | [C][O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][C][F][=C][Branch1][#Branch2][O][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][F][=C][Ring1][#C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4238813 | [C][O][C][Branch2][Ring2][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4238816 | [O][=C][Branch1][C][O][C][C][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4238820 | [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][Branch1][#Branch1][C][N][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][O][Ring1][=N] |
CHEMBL4239078 | [N][/N][=C][\C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][C][=C][Ring1][O][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4239080 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][#C][=C][Branch1][C][C][C][Ring2][Ring1][S][=Ring2][Ring1][Branch2] |
CHEMBL4239085 | [O][=C][Branch1][C][O][C][C@H1][Branch2][Ring1][=C][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][=C][C][=C][C][Branch1][=Branch2][O][C@@H1][C][C][O][C][Ring1][Branch1][=C][Ring1][N] |
CHEMBL4239086 | [C][C][O][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL4239087 | [N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][/C][=Branch1][P][=C][\C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring2][Ring1][#Branch1][=O] |
CHEMBL4239091 | [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][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C] |
CHEMBL4239092 | [C][S][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][O][C@@H1][O][C][C][C@H1][Ring1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C] |
CHEMBL4239355 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][=C][N][C][=C][Branch2][Ring1][Ring1][/C][=N][/N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL4239360 | [C][C][=C][C][=C][Branch2][Branch1][O][C][=C][C][Branch2][Ring2][Branch2][C][O][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring2][Ring1][C][=N][N][Ring2][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][=Branch2] |
CHEMBL4239361 | [N][C][=Branch1][C][=O][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] |
CHEMBL4239364 | [C][C][Branch1][C][C][C][C][C][C@][Branch1][C][C][Branch2][Branch1][C][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][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][O][C][=Branch1][C][=O][C][C@][Ring1][S][Ring2][Ring1][=Branch1][C][O][Ring2][Ring2][C] |
CHEMBL4239365 | [C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][B][Branch1][C][O][O] |
CHEMBL4239366 | [C][C][C@H1][Branch1][C][C][C@@H1][Branch1][C][N][C][=Branch1][C][=O][O] |
CHEMBL4239652 | [C][C][=C][C][Branch2][Ring2][Branch2][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][=N][N] |
CHEMBL4239660 | [C][C@H1][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring1][S][N][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4239662 | [C][O][C][=Branch1][C][=O][C@@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2] |
CHEMBL4239666 | [O][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][N][C][C][N][Branch2][Ring2][Ring2][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4239671 | [N][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4239673 | [C][S][C][C][C@H1][Branch2][Branch1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][O][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][Ring1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][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@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][C] |
CHEMBL4239920 | [C][C][=C][Branch1][C][N][N][=C][Branch2][Ring1][Branch1][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][C@H1][Branch1][C][N][C][Branch1][C][N][=O][N][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch2][Ring1][=Branch1][C][=N][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=N][N][=C][S][Ring1][=N][=C][S][Ring2][Ring1][C][C@@H1][Branch1][C][C][O][C@@H1][Branch2][Ring2][N][O][C@@H1][O][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch1][O][C][Branch1][C][N][=O][C@@H1][Ring1][=N][O][C][=C][NH1][C][=N][Ring1][Branch1] |
CHEMBL4239924 | [C][S][C][S][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][C][=Ring1][Branch2][C][=N][C][Branch2][Ring1][P][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][C][=C][S][Ring2][Ring1][#Branch1] |
CHEMBL4239926 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][C][C][C][N][Branch2][Ring2][Ring2][C][=N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N][S][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2] |
CHEMBL4239928 | [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][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=N][Ring2][Ring1][N] |
CHEMBL4239930 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O] |
CHEMBL4240185 | [C][=Branch2][Ring1][=Branch2][=C][/C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][\C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4240187 | [O][=C][C][=C][C][Branch1][#C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][C][=C][Ring1][S][N][=C][N][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4240188 | [C][O][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][C][C][C][N][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4240199 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch1][S][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][Branch1][C][C][=C][Ring2][Ring1][Ring1][C][=N][Ring2][Ring1][=Branch2] |
CHEMBL4240210 | [C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][C][=C][C@@H1][O][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][C][O][C@@][Ring1][Branch2][Branch1][C][O][C@@H1][Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][C][C@][Branch1][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring1][=Branch2][Ring2][Ring2][Branch1] |
CHEMBL4240502 | [C][C][O][C][=C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][Branch2][C][C][N][Branch1][C][C][C][N][Ring1][#Branch2][C][=C][C][=C][Ring1][P][N][C][=N][C][=C][C][=C][Branch1][C][C][N][=C][Branch1][O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N][=N][Ring1][P] |
CHEMBL4240504 | [N][C][=N][C][=C][Branch2][Ring1][#Branch2][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][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch1] |
CHEMBL4240507 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][N][N][C][=C][Branch2][Ring1][Ring1][/C][=N][/N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL4240512 | [C][/C][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][Branch1][C][C][=N][C][=N][O][C][Branch1][C][N][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring1][P][C][=C][Ring2][Ring1][O][C] |
CHEMBL4240800 | [O][=S][=Branch1][C][=O][Branch1][S][N][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4240805 | [N][C][=N][C][Branch1][C][O][=C][N][=C][N][Branch2][Ring1][#Branch1][C@H1][C][=C][Branch1][C][I][C@@H1][Branch1][O][O][C][P][=Branch1][C][=O][Branch1][C][O-1][O-1][C][Ring1][N][C][Ring1][P][=N][Ring2][Ring1][=Branch1].[Na+1].[Na+1] |
CHEMBL4240810 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@H1][Branch2][Ring1][P][O][C][=N][C][=N][C][=C][Branch1][#C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][F][N][=C][N][=C][Ring2][Ring1][Ring2][Ring1][S][C][Ring2][Ring1][N] |
CHEMBL4240812 | [O][=C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][Branch1][C][Branch1][C][O][=C][Ring1][#C][Ring2][Ring1][#Branch2] |
CHEMBL4240818 | [O][=C][C@H1][C][N][C][C][C][C@][C][C][C@@][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][Ring2][Ring1][C][Ring1][=Branch2][C@@H1][Ring1][P][Ring1][=N][C@@][Ring2][Ring1][Branch1][Branch1][C][O][C][Ring1][S] |
CHEMBL4240820 | [C][C][=C][C][=C][Branch2][Ring2][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][Branch1][#Branch2][C][C][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][S][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N] |
CHEMBL4241075 | [C][O][C][C][Branch1][#Branch2][C][C][C][C][C][Branch1][C][C][C][=C][O][C][=Branch1][C][=O][C][=Ring1][=C][C] |
CHEMBL4241077 | [C][C][=C][C][Branch2][Ring1][O][/C][Branch1][C][O][=C][/C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][N][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring2][Ring1][=N] |
CHEMBL4241078 | [C][C][C][C][C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][C][C][S][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] |
CHEMBL4241081 | [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@@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] |
CHEMBL4241082 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][C][O][=C][Branch1][#Branch1][O][C][C][C][C][O][C][Branch1][C][O][=C][Ring2][Ring1][Branch2][Ring1][=C] |
CHEMBL4241338 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N+1][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][=C][Ring2][Ring1][Ring2].[Br-1] |
CHEMBL4241339 | [C][N][C][=C][C][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][O][Ring1][Branch1][=N][C][=C][Ring1][#C][C][=C][N][Ring1][Branch1][C][C][=N][Ring2][Ring1][#Branch2][=N][Ring2][Ring1][#C] |
CHEMBL4241342 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] |
CHEMBL4241343 | [C][C][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][=Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C] |
CHEMBL4241345 | [C][=C][C][=Branch1][C][=O][C@@][C][=Branch1][C][=O][O][C@H1][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][C@H1][Branch1][C][O][O][C][C@@][Ring1][N][Ring1][=Branch1][C@@H1][Ring1][P][C][C][C@@H1][Ring2][Ring1][#Branch1][C@H1][Ring2][Ring1][Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N] |
CHEMBL4241349 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][=C][Ring1][N][C][=N][C][=C][C][=C][Ring1][=Branch1][F][N][=C][Ring2][Ring1][=N] |
CHEMBL4241638 | [C][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=N][C][=N][C][O][C][=C][Branch1][C][C][C][Ring1][#Branch2][=Ring1][=Branch1] |
CHEMBL4241640 | [N][C@@][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][O] |
CHEMBL4241641 | [N][#C][C][=C][Branch2][Ring2][=Branch2][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][C][=C][C][N][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][O][C][C][O][C][C][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][S][C][Ring2][Branch1][Ring1][=Ring2][Ring1][=Branch2] |
CHEMBL4241642 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][=N][N][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1] |
CHEMBL4241643 | [O][=C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][Ring1][=Branch2] |
CHEMBL4241645 | [C][O][C][C][O][C][C][O][C][C][=Branch1][C][=O][O][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][S][Ring1][#Branch2] |
CHEMBL4241931 | [O][=C][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#C][C][C][C][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] |
CHEMBL4241942 | [C][C][=C][C][=C][C][=C][Branch1][#C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][P][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch1] |
CHEMBL4241943 | [C][C][=Branch1][C][=O][/C][Branch1][C][C][=N][/O][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][N][Ring1][#Branch1] |
CHEMBL4241944 | [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][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C] |
CHEMBL4242165 | [C][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][S][C][C][C][C][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][=Branch1] |
CHEMBL4242166 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=N+1][Branch1][C][O-1][C][C][=C][C][=Branch1][C][=O][N][Ring1][=C][C][Ring1][N][=Ring1][#Branch1] |
CHEMBL4242168 | [O][=C][Branch1][=N][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O] |
CHEMBL4242170 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][N][=C][C][=C][C][=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][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4242171 | [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][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
CHEMBL4242434 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][N][C][/C][=Branch1][S][=C][\C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2][C][=Branch1][C][=O][N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4242443 | [C][O][C][=C][C][=C][Branch2][Ring2][N][C][=N][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=N][Ring1][Branch2][=C][C][=C][Ring2][Ring1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL4242444 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch2][Ring1][P][N][C@H1][Branch1][Branch2][C][N][C][C][C][Ring1][Ring2][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][=N][N][=C][Ring2][Ring1][N][Ring2][Ring1][Branch2] |
CHEMBL4242704 | [C][N+1][Branch1][C][C][Branch2][Ring1][O][C][C][C][N][C][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Br][O][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl-1] |
CHEMBL4242707 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=C][O][C][=N][C][Branch1][C][N][=N][C][Branch1][S][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring1][S][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4242708 | [C][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][C][Cl][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4242710 | [N][C][O][N][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][N][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][Ring2][Ring1][Branch1][C][=Ring2][Ring2][Ring2][Ring2][Ring1][P] |
CHEMBL4242712 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] |
CHEMBL4243014 | [O][=C][Branch1][=C][N][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] |
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