chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL11436 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][O][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][O] |
CHEMBL11985 | [C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][Ring2][C][Ring1][Branch2][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][Branch1][Branch1][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][Ring1] |
CHEMBL11986 | [C][C][=N][O][C][Branch1][=Branch2][C][=C][C][C][N][C][Ring1][=Branch1][=N][Ring1][O] |
CHEMBL11988 | [C][C][Branch1][C][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][O][Ring2][Ring1][#C] |
CHEMBL11989 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring2][Ring1][Branch2].[I-1] |
CHEMBL11717 | [O][=C][C][=N][N][Branch2][Ring1][S][C][=C][C][Branch1][C][Cl][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][P][C][=Branch1][C][=O][NH1][Ring2][Ring1][Branch2] |
CHEMBL11911 | [C][C][O][C][C][N][C][Branch2][Ring2][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][O][C][=C][Ring2][Ring1][Ring2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#C] |
CHEMBL1163397 | [C][O][C][=C][C][Branch2][Branch2][=Branch1][/C][=C][/C][Branch1][C][O][/C][=C][Branch1][C][O][/C][=C][/C][=C][C][=C][Branch2][=Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C@@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring1][Branch2][C][C][C@H1][C][Branch1][C]... |
CHEMBL11912 | [O][=C][Branch1][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2] |
CHEMBL11913 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][S][Ring2][Ring1][C][=Branch1][C][=O][=O] |
CHEMBL11914 | [N][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=N][O] |
CHEMBL11915 | [C][O][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=C][Ring1][#C][Cl] |
CHEMBL11671 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][NH1][Ring1][#Branch2][C][=C][Ring1][S][C][=C][Ring2][Ring1][=C][O][C] |
CHEMBL11672 | [C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL11673 | [C][=C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][Cl] |
CHEMBL1163383 | [N][C][=C][C][=C][Branch2][Ring1][C][/C][=C][\C][C][C][N][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] |
CHEMBL11674 | [C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C][=Branch1][C][=O][O] |
CHEMBL11762 | [C][C][=C][N][Branch1][=Branch1][C][O][C][C][O][C][=Branch1][C][=O][NH1][C][Ring1][N][=O] |
CHEMBL11961 | [C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch2][Ring1][#C][=C][\C][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O] |
CHEMBL11962 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][C][C][C][C][N+1][C][=C][S][C][=Ring1][Branch1][C][O][C][Ring2][Ring1][C].[Br-1] |
CHEMBL11695 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=C][Ring2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][/N][=C][Branch1][C][\S][N][C] |
CHEMBL11696 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][C][C][C][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][Ring2][Ring1][Ring1].[Br-1] |
CHEMBL11697 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][N+1][Branch1][C][O-1][C][C][C][=C][C][=C][Branch1][N][C][=C][Ring1][=Branch1][C][Ring1][O][C][Ring2][Ring1][C][O][C][O][Ring1][=Branch2] |
CHEMBL11718 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=N] |
CHEMBL11719 | [C][C][=C][C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][C][=C][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL11721 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][C][O][=N][NH1][Ring1][=Branch1] |
CHEMBL11722 | [N][C@@H1][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][O] |
CHEMBL11723 | [C][C][C][Branch1][C][O][C@H1][Branch1][C][N][C][=Branch1][C][=O][O] |
CHEMBL1191492 | [C][C][=C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][C][=C][C][=C][Branch2][Branch1][=Branch2][O][C][C][=C][Branch1][C][Cl][C][=C][C][Branch2][Ring2][#Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1]... |
CHEMBL11649 | [C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][N][=C][\C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Branch1][C][=O][O] |
CHEMBL1163382 | [C][C][C][C][=N][N][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O] |
CHEMBL11763 | [C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][Branch2][=C][\C][C][C][C][C][#N][C][=Branch1][C][=O][O] |
CHEMBL11764 | [C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][N][=C][\C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL11765 | [O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch2][Ring1][S][C][N][C][=C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][C][C][Ring2][Ring1][=Branch2] |
CHEMBL11766 | [O][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring1][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL11767 | [C][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL11698 | [C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][NH1][Ring1][P] |
CHEMBL11699 | [O][=C][C][=N][N][Branch2][Ring1][N][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring1][#C][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch1] |
CHEMBL11784 | [C][C][C][N][Branch1][Ring2][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][Cl] |
CHEMBL11785 | [O][=C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=C] |
CHEMBL11786 | [N][#C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=N] |
CHEMBL11806 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][Branch1][C][C][C][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#Branch2][O][C] |
CHEMBL11807 | [C][C][=Branch1][C][=O][O][N][Branch2][Ring1][C][/C][=C][\C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL11808 | [O][=C][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][=C] |
CHEMBL11809 | [C][/C][=C][Branch1][=N][\N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][O] |
CHEMBL11810 | [C][/C][=C][Branch1][=C][\N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL11811 | [C][/C][=Branch2][Ring1][Branch1][=C][\C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][O-1].[Na+1] |
CHEMBL11740 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL11741 | [N][C][C][=C][N][Branch1][S][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][Br][C][Ring1][Branch2][O][C][=Branch1][C][=O][N][=Ring1][S] |
CHEMBL11742 | [O][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][C][#C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring2][Ring1][=N] |
CHEMBL11743 | [C][N+1][Branch1][Ring2][C][C][Cl][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring1][S].[Cl-1] |
CHEMBL11744 | [C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch2][Ring1][C][=C][\C][C][C][C][C][N][C][C][P][=Branch1][C][=O][Branch1][C][O][O][C][=Branch1][C][=O][O] |
CHEMBL11848 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][N][C][C][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][Ring1][P][O][C][O][Ring1][=Branch2] |
CHEMBL11849 | [O][=C][C][=N][N][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring1][P][C][=Branch1][C][=O][NH1][Ring2][Ring1][Branch2] |
CHEMBL4560039 | [C][C][N][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][#C][N][C][=N][C][=C][Ring1][Branch1][C][Ring2][Ring1][Branch2][=O] |
CHEMBL4560040 | [C][=C][O][C][Branch2][#Branch2][P][C][N][C][C][=C][C][Branch1][O][C][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch2][=Branch2][=Branch1][C][=C][C][Branch1][O][C][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch2][#Branch1][=C][C][N][C][=C][Branch2][#Branch1][C][C][O][C][C][O][C][C][O][C][C][O][C][C][=C][N][... |
CHEMBL4560041 | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][N][Ring2][Ring1][Ring1][Ring1][S] |
CHEMBL11850 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][Ring1][#C] |
CHEMBL11852 | [O][=C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL11853 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][/C][=Branch1][=Branch2][=C][\C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O] |
CHEMBL11854 | [C][C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][C][Branch1][S][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][Ring1][=C][C][Ring1][S][C][=Branch1][C][=O][O][C][C][Si][Branch1][C][C][Branch1][C][C][C] |
CHEMBL11787 | [O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C][C][O][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][Ring1][=C] |
CHEMBL11788 | [C][/C][=C][Branch1][=C][\N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O] |
CHEMBL11875 | [N][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] |
CHEMBL11876 | [C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][#Branch1][=C][\C][C][C][Ring1][Ring1][C][=Branch1][C][=O][O] |
CHEMBL11877 | [C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][=C][C][C][C][C][N][Branch2][Ring1][P][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][P] |
CHEMBL11897 | [C][C][O][C][Branch2][Ring2][=N][C][N][Branch1][O][C][C][Branch1][Ring2][O][C][C][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][Cl][O][C][C] |
CHEMBL11898 | [C][C][O][C][=Branch1][C][=O][C][C][=N][C][=N][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][S][C][=Ring2][Ring1][Ring2][O] |
CHEMBL11899 | [O][=C][Branch2][Ring1][=C][/C][=C][/C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=C][Ring1][O][O] |
CHEMBL508 | [C][N][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL11827 | [C][N][/C][Branch1][C][S][=N][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL11828 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Branch1][C][C][Branch1][C][O][C][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][C][Ring2][Ring1][Ring2] |
CHEMBL11830 | [C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][=Branch2][=C][\C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O] |
CHEMBL11831 | [C][/C][=C][Branch1][P][\N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CHEMBL11855 | [C][C][Branch1][Ring1][C][O][C@H1][Branch1][C][N][C][=Branch1][C][=O][O] |
CHEMBL12010 | [C][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][O][=O] |
CHEMBL12011 | [C][N][C][C][C][C][C][Ring1][=Branch1][=O] |
CHEMBL12012 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O].[I-1] |
CHEMBL12013 | [C][C][C][C][=N][C][=C][Branch2][Ring2][#C][N][Ring1][Branch1][C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][Branch1][C][C][=C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][C][Ring2][Ring2][... |
CHEMBL12014 | [C][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL12015 | [C][C][C][C][C][C@][Branch1][C][C][/C][=C][\C][C@H1][Branch1][C][O][C][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch1][C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][Ring2][Ring1][Ring2] |
CHEMBL11878 | [C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C@@H1][C@@H1][Branch1][C][C][C@H1][Ring1][Ring2][C][C][=Branch1][C][=O][O] |
CHEMBL11879 | [C][=C][C][=C][Branch2][Ring1][P][C][Branch2][Ring1][Branch1][C][C][C][=N][C][Branch1][#Branch2][C][C][N][C][C][C][C][Ring1][Branch1][=C][NH1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL11880 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][N][C][Ring1][S] |
CHEMBL11963 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Branch1][C][C][Ring1][Branch1][C][Ring1][N] |
CHEMBL11965 | [O][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring2][Ring1][#Branch2] |
CHEMBL11900 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][C][N][C][Branch2][Ring1][=Branch2][S][C][C][C][N][C][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][=C][=N][C][=Ring2][Ring1][#Branch2][S][Ring2][Ring1][=N] |
CHEMBL4559975 | [C][C][=C][N][C][Branch2][Ring1][Ring1][/C][=C][/C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][=C][Branch1][C][C][N][=C][Ring2][Ring1][C][S][Ring2][Ring1][Branch1] |
CHEMBL4559976 | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][S][Ring2][Ring1][C][C][=Branch1][C][=O][O] |
CHEMBL11990 | [C][C][=N][O][C][Branch1][N][C][=C][C][C][Branch1][C][C][N][C][Ring1][#Branch1][=N][Ring1][N] |
CHEMBL11991 | [C][=C][C][NH1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][=N][Ring1][=Branch2] |
CHEMBL11993 | [C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][NH1][Ring1][P] |
CHEMBL11994 | [C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL11995 | [O][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][C][#C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring2][Ring1][=N] |
CHEMBL11834 | [C][C][=C][C][=C][C][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Branch1][C][=O][N][C][Ring1][#C][=O][=C][Ring2][Ring1][=Branch2] |
CHEMBL11835 | [C][C][=C][C][=C][N][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][O][C][Ring1][S][=C][Ring2][Ring1][Ring2] |
CHEMBL11836 | [C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O][C][=C][Ring2][Ring1][Branch1] |
CHEMBL11837 | [C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][#Branch2][=C][\C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O] |
CHEMBL12016 | [O][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][S][C][C][#C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring2][Ring1][S] |
CHEMBL11675 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
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