chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4277722 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][Ring1][Branch1][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][C] |
CHEMBL4277723 | [C][C][C][C][=N][C][=C][Branch1][Ring1][C][O][C][=C][C][=C][Ring1][Branch2][N][Ring1][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Ring1][N][=C][Branch1][C][\C][C][=N][O][C][=Branch1][C][=O][NH1][Ring1][=Branch1] |
CHEMBL4277724 | [C][N][Branch2][Ring1][Ring1][C][/C][=C][/C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1].[Cl] |
CHEMBL4277794 | [C][O][C][=C][C][=C][C][Branch2][Branch2][Ring1][C][O][C][=C][Branch2][=Branch1][=C][C][=C][C][=C][Branch2][=Branch1][C][O][C][C][C][C][C][=C][N][Branch2][Branch1][C][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][S][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][O][N][=N][Ring2][Ring2][=Branch1][C][=C][Ring2][Ring2][P][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Branch1][O][=O][=C][Ring2][=Branch1][Ring2] |
CHEMBL4277795 | [O][=C][C][=C][Branch1][O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][NH1][C][=Branch1][C][=O][N][Ring1][#C][O] |
CHEMBL4277796 | [C][C][C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][S][Ring1][N] |
CHEMBL4277797 | [N][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][Branch2][Ring2][=Branch1][C][=C][C][Branch1][=N][N][C][C][C][C][Ring1][Branch1][C][O][C][Ring1][#Branch1][=N][C][Branch1][=N][N][C][C][C][C][Ring1][Branch1][C][O][C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1][C][=N][Ring2][Ring1][#C] |
CHEMBL4277798 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][=C][C][=C][C][=C][Branch1][Ring2][C][C][N][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][#Branch1] |
CHEMBL4277799 | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch3][Ring1][Branch2][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch3][Ring1][=Branch1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=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][Branch3][Ring1][C][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][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][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][N][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][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][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C] |
CHEMBL4276729 | [C][O][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][N][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][S][Ring1][N][C][Ring2][Ring1][=Branch1] |
CHEMBL4276730 | [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][C][/C][Branch1][C][C][=C][/C][C][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][O][C][Ring1][#Branch2][=O][C][Branch1][C][C][O] |
CHEMBL4276731 | [O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][O][=C][/C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][C][Ring2][Ring1][Branch2][=S] |
CHEMBL4276732 | [C][C][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][=C][N][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][N][C][=C][N][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][Ring2][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4276812 | [C][C][C][C][C][C][C][C][Branch1][C][N][Branch1][Ring2][C][Ring1][#Branch1][C][C][Branch1][#Branch2][C][C][C][O][N+1][=Branch1][C][=O][O-1][Branch1][Ring2][C][Ring1][#C][C][Ring2][Ring1][C] |
CHEMBL4276813 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][N][C][=N][C][=N][S][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][N][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4276814 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][O][=C][Ring2][Ring1][Ring1] |
CHEMBL4276815 | [C][C][C@H1][Branch1][C][C][C@@H1][C][=Branch1][C][=O][O][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][C][C][C][C][Branch1][C][C][C] |
CHEMBL4276816 | [C][C][Branch1][C][O][Branch2][Ring2][=N][C][=C][C][=C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][S][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Ring1][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Branch2][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4276817 | [O][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1][O][Ring2][Ring2][Branch1] |
CHEMBL4276901 | [C][O][C][C][N][C][=C][C][=Branch1][C][=O][N][Branch2][Ring2][C][C][C][Branch1][C][O][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][=N][Ring2][Ring1][#Branch2] |
CHEMBL4276902 | [C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][C][N][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] |
CHEMBL4276903 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][O][Branch2][Ring1][Ring1][C][N][C][=N][C][S][C][=C][Branch1][C][Br][C][=Ring1][=Branch1][C][Ring1][#Branch2][=O][C][C][Ring2][Ring1][Ring1] |
CHEMBL4276904 | [C][C@@H1][Branch2][Ring2][Branch1][N][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=N][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=N][Ring1][Branch2][=N][Ring2][Ring1][Ring2][C][C][C][Ring1][Ring1] |
CHEMBL4276905 | [N][C][O][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=C][C][=C][Ring1][=N][C][=Ring1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] |
CHEMBL4276981 | [O][=S][=Branch1][C][=O][C][C][C][C][N][Ring1][#Branch1][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][#C] |
CHEMBL4276982 | [C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][NH1][C][=C][C][Branch2][Ring1][Ring2][O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][C][Ring1][#Branch2][=C][C][=C][Ring1][P][Ring2][Ring1][Ring2][O][Ring2][Ring1][=C] |
CHEMBL4276983 | [C][O][C][=Branch1][C][=O][C@][C@@H1][C@H1][O][C][=Branch1][C][=O][C@][Ring1][=Branch1][Branch1][C][C][C][C@H1][C@@H1][Branch1][C][C][C][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=C][C@@H1][Branch1][P][O][C@][Ring2][Ring1][=Branch2][Branch1][C][O][C@H1][Branch1][C][C][O][Ring2][Ring1][O][C@@][Ring2][Ring1][Branch1][Ring2][Ring1][=C][C] |
CHEMBL4276984 | [C][C@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][#Branch2] |
CHEMBL4276985 | [N][C][=C][C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][=Branch2][F][S][Ring1][P][=C][C][Branch1][C][F][=C][Ring2][Ring1][Branch2][F] |
CHEMBL4276986 | [C][C][=C][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2][C][Ring1][#C] |
CHEMBL4277069 | [C][C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][/C][=C][/C][=Branch1][C][=O][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][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C] |
CHEMBL4277070 | [C][C][=C][C][=C][C][Branch2][Ring2][Ring2][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4277071 | [O][=C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][C][Cl][Cl] |
CHEMBL4277072 | [C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][N][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4277148 | [C][O][C][=C][C][=C][N][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][S][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N] |
CHEMBL4277149 | [N][C][=Branch1][C][=S][C][=C][C][=N][C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] |
CHEMBL4277150 | [C][N][C][=C][Branch2][Ring1][Branch2][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch2] |
CHEMBL4277151 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][=Branch1][Ring1][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][C@@H1][C][C][N][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring2][=Branch2][O] |
CHEMBL4277152 | [O][=C][Branch2][Ring1][=N][N][/N][=C][/C][=C][C][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring1][P][C][=C][C][=N][C][=C][Ring1][=Branch1] |
CHEMBL4277153 | [C][=C][C][C][C@H1][C@@][Branch1][C][C][Branch1][#C][C][C][C@@H1][Branch1][C][O][C@@][Ring1][Branch2][Branch1][C][C][C][O][C@@H1][Ring1][#C][C][/C][=C][/C][=Branch1][C][=O][O][C][C@H1][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][C][S][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4277154 | [C][O][C][=C][C][=C][C][Branch2][Branch1][=Branch1][C][N][C][C][N][Branch2][Ring2][=Branch2][C][C@@][Branch1][C][O][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring1][=Branch1][C][C][C@@H1][C@@H1][Ring1][#Branch1][C][C][C@@][Branch1][C][C][C@H1][Ring1][#Branch1][C][C][C@H1][Ring1][=Branch1][O][C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][N][=C][Ring2][Ring2][Ring1] |
CHEMBL4277240 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL4277241 | [F][C][Branch1][C][F][C][=C][N][=C][C][Branch2][Ring2][Branch2][C][=N][C][Branch1][=C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][=N][C][Branch1][=C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2][=N][Ring2][Ring1][#Branch2] |
CHEMBL4277242 | [C][C][=C][C][=C][O][C][Branch2][Branch1][P][C][=C][C][=C][Branch2][Branch1][Branch1][O][C][C][O][C][C][O][C][C][N][C][=C][Branch2][Ring1][P][C][C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P][N][=N][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring2][=Branch2][=C][C][=Branch1][C][=O][C][Ring2][Ring2][S][=C][Ring2][Branch1][Ring2] |
CHEMBL4277243 | [C][C][C][=C][C][=C][Branch2][Ring2][Ring2][C@@H1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C@H1][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][Ring2][Ring1][Ring2][S][Ring2][Ring1][=Branch2] |
CHEMBL4277244 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4277326 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][O][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][N][Ring2][Ring1][=Branch1][Ring1][N][C][C][Ring2][Ring1][=N] |
CHEMBL4277327 | [C][C][C][C@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][/C][=C][C][=C][C][=C][C][=C][Branch1][C][O][C][Ring1][#Branch1][=N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4277328 | [C][C][O][C][=N][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring1][=C][C][=Ring1][P][C][O] |
CHEMBL4277329 | [C][C][Branch1][C][C][Branch1][C][C][N][N][=N][N][=C][Ring1][Branch1][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N] |
CHEMBL4237454 | [C][C][Branch1][C][C][C][=C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][C][C][=Branch1][C][=O][N][O][=C][C][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1][=C][Branch1][C][O][C][=C][Ring2][Ring1][=C][O] |
CHEMBL4237457 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4237466 | [C][C][=C][C][=C][N][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][Ring1][=Branch2][=N][C][Ring1][=N][=C][Ring1][P][C] |
CHEMBL4237467 | [C][=C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][N][Branch1][C][C][/C][=C][/C][=Branch1][C][=O][O][C] |
CHEMBL4237720 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Se][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] |
CHEMBL4237721 | [C][C][N][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][Branch2][N][C][=Branch1][C][=O][C][Cl][=C][Ring1][O] |
CHEMBL4237723 | [N][#C][C][=C][C][Branch2][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=N][Ring1][O][=C][C][=C][Ring1][P][O][C][C][C][C][C][Ring1][Branch1] |
CHEMBL4237724 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][O][=C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=Ring1][#C][C] |
CHEMBL4238025 | [O][=C][Branch1][=N][N][C][C][C][C][=C][C][=C][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] |
CHEMBL4238027 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][Branch2][Ring2][Ring2][C][N][N][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][Ring1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring2][Ring1][#C][=O] |
CHEMBL4238029 | [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][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4238030 | [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][NH1][Ring1][=Branch2] |
CHEMBL4238034 | [C][C][=Branch1][C][=O][/C][Branch1][C][C][=N][/O][C][C][=C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][Branch1][C][C][=C][C][=C][Ring1][=N][Ring1][Branch2] |
CHEMBL4238036 | [C][N][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] |
CHEMBL4238040 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Ring1] |
CHEMBL4238285 | [C][O][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=C][C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4238286 | [C][C][Branch1][C][C][Branch1][C][O][C][C][=Branch1][C][=O][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] |
CHEMBL4238289 | [C][O][C][=C][C][=C][Branch2][Branch1][=Branch2][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C@@][C][C][C@][Ring1][#Branch1][Branch1][Ring1][O][C][C@@H1][O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][C@@][Ring1][O][Ring1][P][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C@@H1][Ring2][Ring1][=Branch2][C][Ring1][N][C][=C][Ring2][Ring2][Branch1] |
CHEMBL4238290 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][N] |
CHEMBL4238294 | [C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][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] |
CHEMBL4238297 | [C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][/C][=C][/C][N][Branch1][C][C][C][C][=C][C][=C][Ring1][#C][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] |
CHEMBL4238299 | [C][C][O][C][C][=Branch1][C][=O][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] |
CHEMBL4238303 | [C][C][C][=C][C][=Branch1][#C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][O][Ring1][#Branch1][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring1][C][C][O][C][=Branch1][C][=O][C@@][Ring1][O][Branch1][Ring1][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][O] |
CHEMBL4238309 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][C@@][Branch1][Ring1][O][C][C][C][C@@][Branch2][Ring1][#C][C][C@][Ring1][Branch2][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C@@H1][Branch1][Branch1][C][Ring2][Ring1][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][C@][Ring2][Ring2][Ring2][Ring2][Ring1][P][Ring2][Ring1][O] |
CHEMBL4238547 | [C][C][=C][C][Branch1][S][/C][=C][/C][=Branch1][C][=O][N][C][C][C][=C][C][Ring1][=Branch1][=O][=C][C][=C][Ring1][P][F] |
CHEMBL4238550 | [C][N][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4238551 | [Cl][C][=C][C][=C][NH1][C][Branch2][Ring1][Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] |
CHEMBL4238555 | [O][=C][C][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C][=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][C][Branch1][C][O][=C][Ring2][Ring1][Ring1][Ring2][Ring1][#C] |
CHEMBL4238556 | [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][C][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N] |
CHEMBL4238850 | [C][N][C][=C][C][Branch2][Branch1][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][=N][C][=C][Ring1][P][C][=C][N][Ring1][Branch1][C][C][=N][Ring2][Ring1][N][=N][Ring2][Ring1][P] |
CHEMBL4238851 | [C][=C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1] |
CHEMBL4238856 | [C][O][C][=C][C][=C][C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][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][=C][Ring2][Ring1][P] |
CHEMBL4238859 | [N][N][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1] |
CHEMBL4239118 | [C][C][C][=C][C][=C][Branch2][Ring2][Ring2][/C][=C][/C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N][Ring1][Branch2][C][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O][C][=C][Ring2][Ring1][=N] |
CHEMBL4239119 | [C][O][P][=Branch1][C][=O][Branch1][Branch2][C][C][C][C][N][=C][=S][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4239122 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][#Branch1][S][C][C][=N][NH1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4239123 | [C][C][Branch1][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][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][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O] |
CHEMBL4239124 | [O][=C][Branch2][Ring1][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][O] |
CHEMBL4239412 | [O][=C][Branch1][P][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CHEMBL4239414 | [C][C][=Branch1][C][=O][N][N][=C][Branch2][Ring1][=Branch1][N][C][=N][C][=Branch1][C][=O][/C][=Branch1][=Branch2][=C][/C][=C][C][=C][O][Ring1][Branch1][S][Ring1][N][S][C][Ring2][Ring1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4239424 | [C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch3][Ring1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][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][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C] |
CHEMBL4239425 | [C][C][C@][Branch1][C][O][C][C@@H1][C][N][Branch2][#Branch1][Branch1][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][Branch2][Branch1][Ring2][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][N][Branch1][C][C][C@H1][C@@][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C][=C][C][N][C][C][C@][Ring2][Ring1][=Branch2][Ring1][P][C@@H1][Ring1][Branch1][Ring1][#Branch2][C][Ring2][Ring2][S][C][Ring2][Branch1][Ring2] |
CHEMBL4239428 | [N][#C][C][=C][C][=C][C][Branch2][Branch1][C][C][=C][C][=C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C@H1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][S] |
CHEMBL4239712 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][=C][C][=C][C][Branch1][#Branch2][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][C][Ring1][P][=N][Ring2][Ring1][Branch1][=C][Ring2][Ring1][O] |
CHEMBL4239714 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][=C][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4239716 | [C][S][C][=C][C][=C][Branch2][Ring1][Branch1][N][Branch1][C][C][C][=N][C][=N][C][O][C][=C][Branch1][C][C][C][Ring1][#Branch2][=Ring1][=Branch1][C][=C][Ring2][Ring1][C] |
CHEMBL4239717 | [O][=C][Branch2][Ring1][=C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N] |
CHEMBL4239968 | [O][=C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Ring1][#Branch2][=C][Ring1][=C][O][Ring2][Ring1][Ring1] |
CHEMBL4239970 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][=Branch2][O][C][C][=Branch1][C][=O][N][O][=C][Ring1][=N] |
CHEMBL4239972 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C][C][=C][Ring2][Ring1][Branch2][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N] |
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