chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4289046 | [C][C][Branch1][C][C][C][=C][C@H1][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][Ring1][#Branch1][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][Branch1][C][C][C@@][Ring2][Ring1][=Branch2][Branch1][C][C][C@][Ring2][Ring1][=C][Branch1][C][C][C][C][C@@][Ring2][Ring2][Ring1][Branch2][Ring1][N][C][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][N][C][C][N][Branch1][C][C][C][C][C][Ring2][Branch1][#Branch1][=O].[Na+1] |
CHEMBL4289121 | [C][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][O][C][C][Ring2][Ring1][Ring1] |
CHEMBL4289122 | [N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch2][Ring2][=Branch1][C][=N][C][Branch1][=N][N][C][C][C][C][Ring1][Branch1][C][O][C][Ring1][#Branch1][=C][C][Branch1][=N][N][C][C][C][C][Ring1][Branch1][C][O][C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1][C][=N][Ring2][Ring1][S] |
CHEMBL4289123 | [C][O][C][=C][C][=C][Branch2][Branch1][N][C][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][S][=N][Ring2][Ring1][P][C][=C][Ring2][Ring2][=Branch2] |
CHEMBL4289124 | [C][C][Branch1][C][C][N][C][C][N][Branch2][Ring2][#Branch1][C][C][C][N][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][P][C][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][=C][Ring1][S][C][C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][N] |
CHEMBL4289125 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][#Branch1][C][=C][N][Branch1][=C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=N][Ring1][S][=C][Ring2][Ring1][=Branch1] |
CHEMBL4289201 | [C][O][C][=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][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][#C] |
CHEMBL4289202 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][Ring2][O][Ring1][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Ring1][N][=O] |
CHEMBL4289203 | [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][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C] |
CHEMBL4289204 | [C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N] |
CHEMBL4228776 | [C][C][=C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=N][N][Ring1][S][C][=N][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][Branch1][#Branch1][S][C][Branch1][C][C][C][S][Ring1][#C] |
CHEMBL4228777 | [O][=C][Branch1][C][O][C][C][=C][C][Branch1][C][I][=C][Branch2][Ring2][=Branch2][O][C][=C][C][Branch1][C][I][=C][Branch2][Ring1][=Branch1][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Branch1][C][I][=C][Ring2][Ring1][#Branch1][C][Branch1][C][I][=C][Ring2][Ring1][S] |
CHEMBL4228778 | [C][C][=C][C][=C][Branch2][Ring2][S][C][N][C][=C][Branch2][Ring1][S][N][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Branch1][C][O][C@@H1][Ring1][S][O][C][=Branch1][C][=O][C][Ring2][Ring1][Branch2][=O][C][=C][Ring2][Ring1][P] |
CHEMBL4228779 | [C][C][C][=N][C][Branch2][Branch1][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][P][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][#Branch2][F][=N][O][Ring2][Ring2][Ring2] |
CHEMBL4228780 | [C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][P][O][C][C][C][C][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][C].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL4228868 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][C][S][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring2][Ring1][C][N][=C][Ring2][Ring1][=Branch2] |
CHEMBL4228869 | [C][C][N][C][=C][C][=C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][Cl][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][N] |
CHEMBL4228870 | [C][O][C][C][O][C][=C][C][=C][C][Branch2][Ring1][P][C][C][C][C][N][Branch2][Ring1][Ring2][C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][O][C][C][O][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch2][Br] |
CHEMBL4228871 | [C][O][C][=C][C][Branch2][Ring2][Ring1][C][C][N][=C][Branch2][Ring1][C][S][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][NH1][C][=Branch1][C][=O][C][=Ring2][Ring1][C][I][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][N] |
CHEMBL4228954 | [C][C][C][C][Branch1][Ring2][C][C][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4228955 | [C][C][C@H1][Branch1][C][C][C@@H1][Branch2][Branch1][=C][C@@H1][Branch2][Branch1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][S][=C][S][Ring1][O][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][Branch1][C][C][C][C][Branch1][C][C][C] |
CHEMBL4228956 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4228957 | [O][C][C][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch2][=Branch2][=Branch2][C][=C][N][=C][Branch2][Branch2][=N][C][Branch2][Ring1][=Branch2][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][Branch1][O][C][C][O][C][Branch1][C][F][=C][Ring1][=N][F][=C][C][=C][C][Branch1][Ring2][NH1][Ring1][Branch1][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][C][=N][C][=Branch2][Ring2][Ring2][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][C][=C][C][=C][Ring2][Branch1][#Branch1][NH1][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Branch1][O][C][Branch1][C][F][=C][Ring2][=Branch1][Branch1][F] |
CHEMBL4228958 | [C][=C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4228959 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4228960 | [O][=C][Branch2][Ring1][N][N][C][=C][C][=C][NH1][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][N][=C][Ring1][S][C][C][N][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][C][C][Ring2][Ring1][C][C][C][O][Ring2][Ring1][O] |
CHEMBL4228961 | [C][C][=C][C][=C][Branch2][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][C][C@H1][Branch2][Ring1][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=N][Ring1][O][C@@][C][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][=Branch2][C][C][C@@H1][Ring2][Ring1][#Branch2][Ring1][=Branch2][C][Ring1][#Branch2][C][=C][Ring2][Ring2][Branch2] |
CHEMBL4229040 | [C][#C][C][N+1][=C][C][=C][C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring1][=N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2].[Br-1] |
CHEMBL4229041 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][O] |
CHEMBL4229042 | [C][C][=C][NH1][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=C][Cl][=N][Ring2][Ring1][#Branch1] |
CHEMBL4229043 | [O][=C][Branch1][Ring1][N][O][C][=C][C][=C][Branch2][Ring1][#C][C][N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4229136 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][Branch1][Ring1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring1][P][C][C][Ring2][Ring1][=Branch2] |
CHEMBL4229137 | [C][C][=C][C][Branch2][Ring2][Branch1][C][N][=C][C][=C][C][=N][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][C][=N][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][#C][=C][C][=C][Ring2][Ring1][=C][F] |
CHEMBL4229138 | [Cl].[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][=Branch2][C][=N][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][O][NH1][Ring1][=C] |
CHEMBL4229139 | [Cl].[Cl].[Cl].[F][C][=C][C][=C][Branch2][Ring2][#C][C][C][=C][C][=C][Branch2][Ring2][C][N][C][C][N][Branch2][Ring1][=Branch1][C][C][Branch1][C][F][C][O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O][C][=C][Ring2][Ring2][C] |
CHEMBL4229140 | [C][C][C][C][C][C][C][C][C][S][S][C][=Branch1][C][=S][N][Branch1][Ring1][C][C][C][C] |
CHEMBL4229221 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring1][#C][C][=C][C][=C][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][C][=C][Ring1][O] |
CHEMBL4229222 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4229223 | [C][O][C][=C][C][=C][N][=C][C][=C][Branch2][Ring1][P][C][C][C@H1][O][C][C@H1][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][O][C][C][C][Ring1][Branch2][C][O][Ring2][Ring1][C][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C] |
CHEMBL4229224 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][=N][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][=N][Ring1][S][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4229225 | [C][C][N][=C][S][C][=Ring1][Branch1][C][=C][C][=C][Branch2][Ring2][=N][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][F][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=C] |
CHEMBL4229226 | [C][O][C][=N][C][=C][Branch2][Ring2][Branch2][C][=C][C][Branch2][Ring1][Ring2][O][C@@H1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N][N][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4289314 | [C][C][C][C][=C][N][Branch2][Ring1][=Branch1][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][C][C][C][N][=N][Ring2][Ring1][Ring2] |
CHEMBL4289315 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][C][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][O] |
CHEMBL4289316 | [C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch2][N][#C][O][C@@H1][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C][C@H1][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][#Branch2][N][C][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][=N][Ring1][P][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C@H1][Branch1][#Branch1][N][C][Ring2][Ring2][Branch2][=O][C][=Branch1][C][=O][N][C@H1][Ring2][Branch1][O][C][Branch1][C][O][N][C@H1][C][=Branch1][C][=O][N][C@H1][Ring2][=Branch1][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=C][C][Ring2][Ring1][#Branch1][=C][C][=C][Ring1][=Branch1][O][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Branch2][=C][O] |
CHEMBL4289317 | [C][C][=Branch1][C][=O][O][C@H1][/C][Branch1][C][C][=C][/C@H1][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][C@][Ring1][#C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][/C][=C][/C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring2][=Branch1][O][C][Branch1][C][C][=O] |
CHEMBL4289318 | [C][O][C][=C][C][=N][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][=C][O][C] |
CHEMBL4289319 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C] |
CHEMBL4289399 | [C][C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl] |
CHEMBL4289400 | [C][C][=C][C][=C][Branch1][=C][O][C][C][O][C][C][N][C@H1][Branch1][C][C][C][O][C][Branch1][C][C][=C][Ring2][Ring1][C] |
CHEMBL4289401 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][C][N][C][C][C][C][Ring1][Branch1] |
CHEMBL4289402 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][C][=C][Ring2][Ring1][C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4289403 | [C][=C][C][C@][C][C@@][Ring1][Branch1][Branch1][C][O][C][C][C@H1][Ring1][#Branch1][C@@][C][=C][C@H1][Branch1][C][O][C@][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][#Branch2][C@H1][Ring1][O][C@@H1][Ring2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4289482 | [N][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4289483 | [O][=C][Branch1][=N][C][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N] |
CHEMBL4289484 | [C][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4289485 | [O][=C][S][/C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] |
CHEMBL4289486 | [C][C@@H1][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1][=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][Branch2][C][C][C][Ring1][Ring1] |
CHEMBL4289564 | [O][=C][/C][=Branch1][=N][=C][/C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] |
CHEMBL4289565 | [C][C][Branch1][C][C][=C][C][C][=C][Branch2][Ring1][O][O][C][C][=C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][=N][Ring1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][O][=O] |
CHEMBL4289566 | [O][=C][Branch1][P][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C@@H1][C][C][Branch1][C][O][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@@H1][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][#Branch1][O] |
CHEMBL4289567 | [C][C][C][C][/C][=Branch1][Ring1][=N][\O][C][=C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][C][=C][Ring1][=C][O] |
CHEMBL4289568 | [C][C][NH1][N][=C][Branch1][C][N][C][=Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] |
CHEMBL4289649 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=C][Ring2][Ring1][C][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4289650 | [C][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2][=C][Branch2][Ring1][#C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][N][C][C][C][C][Ring1][Branch1][C][N][Branch1][C][C][C][Ring1][Branch2][C][=N][Ring2][Ring1][P] |
CHEMBL4289651 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][Ring1][=Branch1][O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][C][Ring1][#Branch2][NH1][C][=C][C][=Branch1][N][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring2][Ring1][#Branch1][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][N] |
CHEMBL4289652 | [O][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Branch1][=N][N][C][C][=C][S][C][Branch1][C][Br][=C][Ring1][=Branch1][Branch1][Ring2][C][Ring1][#C][C][Ring2][Ring1][C] |
CHEMBL4289653 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][/C][=C][\C][C][C][/C][=Branch1][=N][=C][\C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring1][=C][=O][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4289654 | [C][=C][C][=C][Branch1][P][C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=C][C][=C][C][=C][Branch1][#C][C][=C][Ring1][=Branch1][O][C][C][N][C][C][C][C][Ring1][Branch1][C][C][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][=Branch1][Ring2][=C][Ring1][=C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][Ring2][Branch1][Ring1] |
CHEMBL4289749 | [C][C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring1][S][C@@][Ring2][Ring1][=Branch1][C][O][C][Branch1][C][N][=N][Ring1][=Branch1] |
CHEMBL4289750 | [N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][NH1][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][Ring1][#Branch2][=N][C][Ring2][Ring1][=Branch1][=Ring1][P] |
CHEMBL4289751 | [C][C][Branch1][C][C][C@H1][Branch2][Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C@@H1][Branch1][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][S][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][O] |
CHEMBL4289752 | [C][C@][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][O][Ring2][Ring1][Branch2] |
CHEMBL4289753 | [C][C][O][C][=C][C][=C][Branch2][Ring1][N][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][#Branch1][Cl] |
CHEMBL4289838 | [O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch2][Ring1][Branch1][C][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL4289839 | [C][=C][C][=Branch1][C][=O][O][C@@H1][C][C@@][Branch1][C][C][C][C][C][Branch1][C][N][C][=Branch1][C][=C][C@@H1][Ring1][=Branch2][C][C@H1][Ring1][P][Ring1][=N] |
CHEMBL4289840 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][/C][=C][\C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=Branch2][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4289841 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][=Branch2][C][NH1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1][=C][C][=N][Ring2][Ring1][=Branch1] |
CHEMBL4289922 | [C][C][O][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][=O][=C][C][Branch1][Ring2][O][C][C][=C][Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4289923 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][=N][N][=C][Branch2][Ring2][=Branch2][C][S][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Branch2][S][C][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][Ring1][=N][=N][Ring2][Ring1][=Branch1][O][Ring2][Ring1][=N][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4289924 | [C][O][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4289925 | [C][C][C][C][C][C][C][C][C][C][C][O][C@@H1][C@@H1][Branch1][C][N][C@@H1][Branch2][Ring1][O][O][C@@H1][C@@H1][Branch1][C][N][C][C@@H1][Branch1][C][N][C@H1][Branch1][=Branch2][O][C][C][C][C][C][C][C][C@H1][Ring1][S][O][O][C@H1][Branch1][Ring1][C][N][C@H1][Ring2][Ring1][O][O] |
CHEMBL4289926 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][P][O][C][C][C][C][C][C][C][C][N][C][=N][C][=N][Ring1][Branch1][=C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][Ring2] |
CHEMBL4289927 | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] |
CHEMBL4290010 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring1][=N][C][N][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=N][Ring1][O][=C][Ring1][S][=C][Ring2][Ring1][#Branch1][Cl] |
CHEMBL4290011 | [O][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C] |
CHEMBL4290012 | [C][C][N][C][C][N][Branch2][Branch1][Branch2][C][C][=C][C][=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][N][=C][Ring2][Ring1][N][C][C][Ring2][Ring2][Ring1].[C][S][=Branch1][C][=O][=Branch1][C][=O][O] |
CHEMBL4290013 | [C][C][C][C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=N][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][Ring2][Ring1][=Branch2] |
CHEMBL4290014 | [C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] |
CHEMBL4290015 | [C][C@H1][Branch2][Branch1][Ring2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch2][Ring1][S][C][N][C][=N][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][N][Branch1][C][C][N][=C][Ring1][=N][C][Ring1][P][=O][C][C][Ring2][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4290100 | [O][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][S+1][Branch1][C][O-1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4290101 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N][=C][Ring2][Ring1][Ring2][C][Branch1][=N][O][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][=C][Ring2][Ring2][#Branch1] |
CHEMBL4290102 | [O][=C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring2][Ring1][#Branch2] |
CHEMBL4290103 | [C][C][Branch1][C][C][N][Branch2][Ring1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C@H1][O][C@@H1][Branch2][Ring1][=C][N][C][=N][C][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=C][N][=C][Ring1][#C][Ring2][Ring1][C][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Branch2][O] |
CHEMBL4290104 | [C][O][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][\S][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4290105 | [C][C][C][/N][=C][\S][/C][=Branch2][Ring1][Branch2][=C][\C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][O][C][=C][Ring1][=C][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
CHEMBL4290189 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][C][Ring1][P][C][C][Ring1][Ring1] |
CHEMBL4290190 | [C][C][C][C][C][C][O][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][N][C][C@H1][Branch1][C][N][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][N][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][Ring2][Ring1][Ring2][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][N][C@@H1][Ring2][Ring1][=C][O][C][C][C][C][C][C] |
CHEMBL4290191 | [C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][Ring1][#Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][/C][=N][/O][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][S][S][C][C][N][C][=Branch1][C][=O][/C][Branch1][S][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][Branch2][=N][\O] |
CHEMBL4290192 | [C][C@@H1][C][C@@H1][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][N][C][=C][C][=N][Ring1][Branch1][C][Ring2][Ring1][=N] |
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