chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4277600 | [C][O][C][=Branch1][C][=O][C][=C][C][=N][C][Branch2][Ring1][Branch1][N][N][=C][C][=C][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] |
CHEMBL4277601 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N] |
CHEMBL4277602 | [C][C][C][C][/C][=Branch1][Ring1][=N][\O][C][=C][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][F][=C][Ring1][Branch2][=C][C][=C][Ring1][=C][O] |
CHEMBL4277603 | [Cl].[O][=C][Branch2][Ring1][=Branch1][C][C][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL4277604 | [F][C][Branch1][C][F][C][C][C][Branch2][Ring2][P][N][C][=C][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch2][Ring1][Ring1][C][=C][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][=Branch2][C][C][Ring2][Ring1][P] |
CHEMBL4277688 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][/C][=C][/S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4277689 | [C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch1][#Branch1][N][C][=Branch1][C][=N][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C@H1][Ring1][=N][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O] |
CHEMBL4277690 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][N][C][=C][Branch1][P][C][C][N][C][=N][C][=N][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][S][Ring1][P] |
CHEMBL4277691 | [C][O][C][=C][C][=C][Branch2][Ring2][=N][C][N][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][S][O][C] |
CHEMBL4277692 | [C][C][C][C][C][C][N+1][=N][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O].[O][=S][=Branch1][C][=O][Branch1][C][O-1][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4277693 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][Ring1][C][=C][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=N][Ring1][N][=C][Ring2][Ring1][C] |
CHEMBL4277764 | [O][=C][Branch2][Ring2][Branch2][C][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=N][O][N][=C][Ring1][Branch1][/C][=Branch1][Ring1][=N][/O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Br][=C][Ring1][Branch2][N][O] |
CHEMBL4277765 | [C][C][C][C][O][C][=C][N][N][=C][N][=C][Branch2][Ring2][O][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][F][C][Ring2][Ring1][=C][=C][Ring2][Ring1][P][C] |
CHEMBL4277766 | [C][C@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O] |
CHEMBL4277767 | [C][#C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][S][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2] |
CHEMBL4277768 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][O][S][Ring1][=C] |
CHEMBL4277769 | [C][N][Branch2][Ring1][C][C][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1].[Cl] |
CHEMBL4276704 | [C][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=N][C][=C][Branch1][C][N][N][=C][C][=C][Branch1][Branch2][C][=C][C][=N][NH1][Ring1][Branch1][C][=C][C][Ring1][O][=C][Ring1][S][N][Ring2][Ring1][Ring1][C][C] |
CHEMBL4276705 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][=N][O][C][C][C][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N] |
CHEMBL4276706 | [C][C][Branch2][Ring2][#Branch1][C][C][C][C][C][C][Branch1][C][N][Branch1][Ring2][C][Ring1][#Branch1][C][C][Branch1][N][C][C][Branch1][C][C][O][N+1][=Branch1][C][=O][O-1][Branch1][Ring2][C][Ring1][#C][C][Ring2][Ring1][C][O][N+1][=Branch1][C][=O][O-1] |
CHEMBL4276707 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][C][=C][C][=Branch1][C][=O][N][Branch1][C][O][C][=Branch1][C][=O][NH1][Ring1][=Branch2][C][=C][Ring1][S] |
CHEMBL4276779 | [Cl].[O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][Ring1][=N][S][Ring1][S] |
CHEMBL4276780 | [O][=C][Branch2][Ring1][N][/C][=C][/C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] |
CHEMBL4276781 | [O][=C][Branch1][C][O][C][C][C][O][C][=C][C][Branch1][P][O][C][C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1] |
CHEMBL4276782 | [C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][/C][=C][/C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][C][O][C][Ring1][Branch2][=O] |
CHEMBL4276872 | [C][O][C][=C][Branch1][C][F][C][=C][Branch2][Ring2][Ring1][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=N][C][=C][Ring2][Ring1][=N][F] |
CHEMBL4276873 | [C][C][Branch1][C][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=N][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4276874 | [C][C][C][/N][=C][\S][/C][=Branch2][Ring1][O][=C][\C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][#C][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
CHEMBL4276875 | [C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][C@H1][Branch1][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][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] |
CHEMBL4276876 | [C][Si][Branch1][C][C][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][C][=Ring1][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] |
CHEMBL4276953 | [C][O][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4276954 | [C][C@H1][Branch2][Ring2][=N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][F][N][Branch1][C][C][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] |
CHEMBL4276955 | [C][C][Branch1][C][C][N][C][=C][C][=N][C][=N][C][Branch1][P][N][C@H1][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C][C][Ring1][=Branch2][=C][Ring1][S][Ring2][Ring1][Ring1] |
CHEMBL4276956 | [C][C][Branch1][C][C][O][C][C][C][C][C][N][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][=Ring1][=N][Ring1][P] |
CHEMBL4276957 | [C][C][=C][C][=C][Branch2][Ring1][N][O][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][S][Ring1][N][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4277037 | [C][C][C][C][N][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][Ring1][P] |
CHEMBL4277038 | [C][O][C][=C][C][=C][Branch2][Ring2][#C][C][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring2][C][O][C] |
CHEMBL4277039 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=Ring1][O][Ring2][Ring1][Ring2] |
CHEMBL4277040 | [C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][=Ring1][#C][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N] |
CHEMBL4277041 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][NH1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=N][C][=Ring1][N][Ring2][Ring1][Branch1] |
CHEMBL4277119 | [C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch2][Ring1][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O][=C][\C][C][C@@][Branch1][C][C][O][C@@H1][Ring2][Ring1][Branch2][Ring1][Ring2] |
CHEMBL4277120 | [C][C][C][O][C][=C][C][=C][C][Branch2][Ring1][P][C][=C][C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2][F][=N][O][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4277121 | [C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][Ring2][C][C][O][=C][S][Ring1][Branch2][C][=C][Ring1][P] |
CHEMBL4277122 | [C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][C@H1][Branch1][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][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=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][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][Branch1][C][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][Branch2][C][C][C][Branch1][C][N][=O][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][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4277206 | [C][O][C][=C][C][=C][C][Branch1][S][C][N][C@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] |
CHEMBL4277207 | [C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][C@@H1][Branch1][C][O][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Branch2][Ring1][#Branch1] |
CHEMBL4277208 | [C][O][C][=C][C][=C][C][Branch2][Ring2][N][C][=N+1][C][=C][Ring1][=Branch1][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][#C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][Ring1][P][C][C][Ring2][Ring1][Ring2][O][C][O][Ring1][#Branch2][=C][Ring2][Ring1][=C][O][C].[Br-1] |
CHEMBL4277209 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][C][C][C][=C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Ring1][#Branch2][=C][N+1][=C][Ring1][=C][C][=C][Branch1][P][C][=C][C][=Branch1][#Branch1][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring2][C].[Br-1] |
CHEMBL4277210 | [O][=S][=Branch1][C][=O][Branch1][=C][C][=C][C][=C][C][=N][S][N][=C][Ring1][=Branch2][Ring1][Branch1][N][C][C][C][C][=C][C@H1][C][C@H1][Branch1][N][C][N][C][C][C][C][C@H1][Ring1][#Branch2][Ring1][=Branch1][C@@H1][Ring1][=N][Ring1][P] |
CHEMBL4277299 | [C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1] |
CHEMBL4277300 | [F][C][Branch1][C][F][Branch1][C][F][C][C][=C][C][=C][Branch2][Ring1][=N][N][C][C][N][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring1][=Branch2][C][C][Ring1][#C][N][=C][N][=C][Ring2][Ring1][Branch1][S][Ring2][Ring1][Branch2] |
CHEMBL4277301 | [C][C][Branch1][C][C][N][Branch2][Ring1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][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][F][=C][Ring1][#Branch1][N][=C][N][=C][Ring1][#C][Ring2][Ring1][C][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Branch2][O] |
CHEMBL4277302 | [C][O][C][=Branch1][C][=O][C][C@@H1][Branch2][Ring1][=N][C@H1][O][C@@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring1][#Branch1][C@H1][Ring1][#Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2] |
CHEMBL4277303 | [C][N][Branch1][C][C][C][C][N][Branch2][Ring1][P][C][C][C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][S][C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N][C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4277304 | [C][N][C][C][N][Branch2][Ring2][N][C][=C][C][=C][Branch2][Ring1][S][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][=N][C][NH1][C][=C][C][Ring2][Ring1][C][=Ring1][Branch1][C][=C][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][=C] |
CHEMBL4237371 | [C][C][Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=Ring1][O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4237377 | [N][C][C][=C][N][Branch2][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][N][=Ring2][Ring1][Ring1] |
CHEMBL4237382 | [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][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CHEMBL4237383 | [O][=C][Branch2][Ring2][O][N][C@@H1][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4237626 | [C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][O][N][C][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][P] |
CHEMBL4237629 | [C][O][C][=C][C][=C][C][Branch2][#Branch2][Branch1][N][C][=C][Branch2][=Branch2][#Branch2][C][N][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][Branch2][O][C@@H1][O][C][C@H1][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@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring1][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][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring2][Branch2][C][C][C@@][Ring2][Ring2][N][Branch1][C][C][C@][Ring2][Ring2][P][Branch1][C][C][C][C][Ring2][Branch1][N][N][=N][Ring2][=Branch1][Branch1][=C][Ring2][=Branch1][O] |
CHEMBL4237632 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][O][N][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][P][=O] |
CHEMBL4237633 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][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][Branch2][#Branch1][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][S][S][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O] |
CHEMBL4237634 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Branch2][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=Ring1][O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][C][Ring1][Ring1] |
CHEMBL4237635 | [O][=C][Branch2][Ring1][O][N][C][C][C][N][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
CHEMBL4237912 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4237913 | [O][=C][N][C][C][N][Ring1][Branch1][C][C][N][Branch1][=C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4237915 | [C][C][=C][O][C][=N][C][=N][C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring1][Ring1][S] |
CHEMBL4237916 | [C][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] |
CHEMBL4238197 | [C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Ring1][#Branch2][=O][C@H1][Ring2][Ring1][Branch2][S][C][Ring2][Ring1][#C] |
CHEMBL4238198 | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][B][Branch1][C][O][O] |
CHEMBL4238200 | [O][=N+1][Branch1][C][O-1][O][C][C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][=C][C][Branch2][Ring1][Ring2][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][=C][Ring1][P][Cl][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4238447 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=C][=C][Branch1][C][C][C][Ring2][Ring1][#C][=Ring2][Ring1][#Branch1] |
CHEMBL4238452 | [C][C][C][=N][N][Branch1][C][C][C][=C][C][Branch1][#C][N][C][=N][NH1][C][=C][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring2][Ring1][S] |
CHEMBL4238459 | [C][C][Branch1][C][C][Branch2][Ring2][#Branch1][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][#C][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CHEMBL4238462 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][O][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2][O][C] |
CHEMBL4238730 | [O][C][=N][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][Ring1][P] |
CHEMBL4238745 | [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][=Branch1][C][=O][O] |
CHEMBL4238749 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][Branch2][N][C][=C][Branch1][S][/C][=N][/N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4238750 | [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][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O] |
CHEMBL4238756 | [O][=S][=Branch1][C][=O][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][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] |
CHEMBL4238758 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C][=C][Branch1][C][C][C][Ring2][Ring2][Ring1][=Ring2][Ring1][O] |
CHEMBL4238763 | [C][N][C][C][C][Branch2][Branch1][=Branch1][C][N][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][C][C][Ring2][Ring2][#Branch1] |
CHEMBL4238769 | [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][N][Branch1][C][C][C][=C][C][=C][Ring1][=Branch2][O][Ring1][N] |
CHEMBL4238771 | [Cl][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] |
CHEMBL4239017 | [O][=C][C][Branch1][C][O][=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][C][N][Ring2][Ring1][Branch1][Ring1][#Branch1] |
CHEMBL4239018 | [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][C][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][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
CHEMBL4239019 | [Cl].[N][#C][C][=C][C][=C][Branch2][Branch1][=C][C][O][C][=C][C][=C][Branch2][Ring2][S][C][C@H1][Branch1][C][N][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][C][=C][Ring2][Ring2][C][C][=C][Ring2][Ring2][#Branch2] |
CHEMBL4239020 | [C][O][C][=Branch1][C][=O][C][C@H1][Branch2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][#C][N][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4239024 | [C][N][Branch2][Ring2][C][C][C][N][Branch1][C][C][C][=C][C][=C][N][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][Ring1][=Branch2][=S+1][C][Ring1][=N][=C][Ring1][P][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][NH1][Ring1][N][C][=C][Ring2][Ring1][C].[Cl-1] |
CHEMBL4239026 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4239031 | [C][=C][C][=Branch1][C][=O][N][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][C] |
CHEMBL4239304 | [N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][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][Branch2] |
CHEMBL4239308 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch2][Ring2][=Branch2][C][N][N][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][Branch1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring2][Ring1][P][=O] |
CHEMBL4239312 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][C][C][N][N][=C][Branch1][=C][C][C][=N][N][Branch1][Branch1][C][C][O][C][C][=Ring1][=Branch2][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch2] |
CHEMBL4239313 | [N][#C][C][=C][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][O] |
CHEMBL4239317 | [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] |
CHEMBL4239598 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][/C][=C][/C][=C][C][Branch1][C][O][=C][C][Branch1][S][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][Ring1][C][O][C][O][=C][Ring1][S][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4239599 | [C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=N][N][=C][Branch1][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][O][Ring1][=C][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4239607 | [C][C][C][C][C][C][N][C][=N][N][=N][C][=C][Ring1][=Branch1][S][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=Branch1][=Branch1][=C][Ring1][N][Ring1][#C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][=Branch2] |
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