chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL13803
|
[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][C][I][=C][C][=Branch1][=Branch1][=C][Ring1][=C][Ring1][#Branch2][C][Ring2][Ring1][C][=O]
|
CHEMBL13805
|
[C][C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=N][=Ring1][Branch1][C][C@H1][Ring1][S][N][Branch1][C][C][C][Ring2][Ring1][Branch1]
|
CHEMBL13806
|
[C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][S][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL13495
|
[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][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][#C]
|
CHEMBL13496
|
[C][C][C][N][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2].[Cl]
|
CHEMBL3309597
|
[C][C][C@H1][Branch1][C][C][C@@H1][Branch1][P][C][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1]
|
CHEMBL13821
|
[C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl].[Cl]
|
CHEMBL13822
|
[Cl].[N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL13823
|
[N][=C][Branch1][C][N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
|
CHEMBL13824
|
[C][O][C][=C][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][C][Ring1][O][=C][Ring1][#C]
|
CHEMBL13825
|
[Cl].[N][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL13521
|
[C][O][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C]
|
CHEMBL13522
|
[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][O][Ring1][P]
|
CHEMBL3309466
|
[O][=C][C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O]
|
CHEMBL3309467
|
[C][C][N][=C][S][C][=Ring1][Branch1][C][S][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O]
|
CHEMBL13555
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][S][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S][=C][Ring2][Ring1][#Branch2]
|
CHEMBL13556
|
[C][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O]
|
CHEMBL13558
|
[C][C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1].[Cl]
|
CHEMBL13559
|
[N][C@@H1][C][C@H1][Ring1][Ring1][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL13663
|
[C][N][C][C][N][Branch2][Ring1][#C][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL13664
|
[C][C][C@H1][Branch2][Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][O]
|
CHEMBL13665
|
[C][C][Branch1][C][C][C][C@@H1][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]
|
CHEMBL13666
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C]
|
CHEMBL13584
|
[O][=C][Branch1][C][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][S][C][=Ring2][Ring1][Ring1]
|
CHEMBL13585
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=C][O][C][O][Ring1][#Branch1]
|
CHEMBL13686
|
[O][=C][Branch2][Ring1][S][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][P][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Br]
|
CHEMBL13687
|
[C][C][Branch1][C][C][Branch1][C][N][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][C][C][C][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][Ring1][S]
|
CHEMBL13497
|
[C][C][C][C][=C][Branch1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Ring2][Ring1][=Branch2][=O]
|
CHEMBL13498
|
[C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL13499
|
[C][N][C][C@@H1][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@H1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring2][Ring1][Branch1]
|
CHEMBL13500
|
[Cl].[N][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL13607
|
[C][C][Branch1][C][C][C][S][C][C][C][C][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][Branch1][C][O][C][Ring1][S][O]
|
CHEMBL13523
|
[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][=N][C][Branch1][Branch1][C][#C][C][N][=C][C][Ring1][#Branch2][=C][Ring1][=C][C]
|
CHEMBL13524
|
[C][C][=Branch1][C][=O][C@@][O][C][Branch1][C][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][O][C@@H1][Ring1][P][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C@@][Ring1][S][Ring2][Ring2][C][C]
|
CHEMBL13634
|
[C][C][C][C][N][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl].[Cl]
|
CHEMBL13635
|
[C][C@@H1][Branch1][C][O][C][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O]
|
CHEMBL13636
|
[C][C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][N][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
|
CHEMBL3309468
|
[N][#C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][S][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL3309502
|
[C][C][O][C][=N][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][#Branch1]
|
CHEMBL13667
|
[C][O][C][C][N][Branch1][Branch1][C][C][O][C][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][O][C]
|
CHEMBL13668
|
[C][N][C][C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1]
|
CHEMBL13669
|
[C][C][=C][C][Branch1][C][C][=C][Branch2][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][Branch2][Ring2][=C][C][C@@][Branch1][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][Branch1][C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1][=C][Ring2][Branch1][#Branch1].[Na+1].[Na+1]
|
CHEMBL13670
|
[C][=C][C][=C][Branch1][=Branch2][C][=N][C][C][C][N][Ring1][=Branch1][C][=C][Ring1][N]
|
CHEMBL13751
|
[O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P]
|
CHEMBL13752
|
[C][C][C][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2].[Cl]
|
CHEMBL13753
|
[C][C][Branch1][C][C][C][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][C][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Ring2][Ring1][Ring1][C][Ring2][Ring1][=N][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL13688
|
[C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1]
|
CHEMBL13689
|
[C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][C]
|
CHEMBL13587
|
[C][N][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2].[Cl]
|
CHEMBL13779
|
[C][O][C][=Branch1][C][=O][N][/N][=C][/C][=C][N+1][Branch1][C][O-1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N+1][Ring1][O][O-1]
|
CHEMBL13780
|
[C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch2][Ring1][Ring1][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2]
|
CHEMBL3309549
|
[C][C@H1][Branch1][C][O][C][N][C][=N][C][=C][C][Branch2][Ring2][S][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=C][Ring2][Ring1][Branch1][=N][Ring2][Ring1][P]
|
CHEMBL13608
|
[C][C][NH1][C][Branch2][Ring1][Branch1][/C][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][O][=C][Branch1][C][C][C][=Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][C][C][C][C][Ring1][Branch1]
|
CHEMBL13609
|
[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][=Branch1][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1]
|
CHEMBL13611
|
[O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=C][O][N][=Ring1][Branch1][=C][Ring1][#C][N][C][C][=C][O][N][=Ring1][Branch1]
|
CHEMBL13707
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][C][C][=C][Branch1][=Branch2][N][=C][Ring1][Branch2][C][=N][Ring1][N][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][=C][C][O][C][=Branch1][C][=O][C@][Ring1][O][Branch1][C][O][C][C]
|
CHEMBL13709
|
[O][=C][Branch1][S][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring2][Ring1][C]
|
CHEMBL13637
|
[O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][N][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#C][O]
|
CHEMBL13638
|
[N][#C][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][Ring2][Ring1][C][=C][Ring2][Ring1][N]
|
CHEMBL13639
|
[C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][C][N][Ring1][Branch1]
|
CHEMBL13733
|
[C][C][=Branch1][C][=O][C@@][O][C][Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C@@H1][Ring1][=N][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C@@][Ring1][S][Ring2][Ring1][=C][C]
|
CHEMBL4543304
|
[C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][=Branch2][S][C][Branch1][C][N][=C][Ring2][Ring1][C][C][Branch1][C][N][=O]
|
CHEMBL3309503
|
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL3309506
|
[C][N][C][=Branch1][C][=O][C][C][C][=C][Ring1][#Branch1][C@@H1][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C@@][Ring1][#Branch2][C][C][N][Branch1][C][C][C@H1][Branch1][Ring2][C][Ring1][=Branch2][C@][Ring1][Branch2][Branch1][C][O][C][Ring2][Ring1][Branch1]
|
CHEMBL13754
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][P][C][C][N][C][=Branch1][C][=O][NH1][C][S][C][Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C][Ring1][P][=O][C][C][Ring2][Ring1][#Branch2]
|
CHEMBL544
|
[C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL13755
|
[O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][N][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][O][N][=C][Ring1][S][O]
|
CHEMBL13756
|
[C][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][N][C][C][C][C][=C][Ring1][=C]
|
CHEMBL13848
|
[C][C][C][=C][C][=Branch1][S][=N][C][=C][N][=C][Branch1][Ring1][C][N][C][=C][Ring1][N][Ring1][Branch2][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C@][Ring1][O][Branch1][C][O][C][C]
|
CHEMBL13781
|
[C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch2][Ring1][Branch1][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]
|
CHEMBL13782
|
[C][C][Branch1][C][C][Branch1][C][C][N]
|
CHEMBL13783
|
[C][C][S][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][N][=C][Ring1][#Branch1][N][Ring1][=N][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P]
|
CHEMBL4543313
|
[F][C][Branch1][C][F][Branch1][C][F][Se][C][C][O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N]
|
CHEMBL13784
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][N]
|
CHEMBL13873
|
[C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Ring1][#C]
|
CHEMBL13874
|
[C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br].[Cl]
|
CHEMBL13875
|
[Cl].[N][#C][C][=C][C][=C][C][Branch1][Ring1][C][N][=C][Ring1][Branch2]
|
CHEMBL13711
|
[C][C][C][C][C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1].[Cl]
|
CHEMBL13712
|
[O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][Ring1][O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]
|
CHEMBL13713
|
[C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2]
|
CHEMBL13809
|
[C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring1][P]
|
CHEMBL13734
|
[C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][#Branch1][N][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][N][Ring1][=N][C][Ring2][Ring1][Ring1][S][C][Ring2][Ring2][#Branch1]
|
CHEMBL13735
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][NH1][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][C][C][Ring2][Ring1][Ring1]
|
CHEMBL13736
|
[C][C][Branch1][C][C][O][C][=C][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1]
|
CHEMBL13826
|
[C][O][C][=C][C][=C][Branch2][Ring2][=C][C][=C][N][=C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N]
|
CHEMBL13849
|
[C][O][C][=C][C][=C][Branch2][Ring2][N][C][=C][S][C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring1][P][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N]
|
CHEMBL13850
|
[C][C][=C][C][=C][Branch2][Ring2][#Branch2][O][C][=N][C][=C][C][Branch2][Ring1][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][C][Branch1][C][C][=C][Ring2][Ring1][S]
|
CHEMBL13851
|
[C][C][N][Branch1][C][C][C][=Branch1][C][=S][S][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
|
CHEMBL13852
|
[C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][#Branch2][O][C][C][=N][C][C][N][Ring1][Branch1][=C][Ring1][S]
|
CHEMBL13853
|
[C][C][N][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2].[Cl]
|
CHEMBL13560
|
[C][C@@H1][Branch2][Ring1][Branch2][N][C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][Branch1][C][Cl][=C][Ring1][N][C@@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL13786
|
[C][S][C][C][C@H1][Branch2][Branch1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]
|
CHEMBL13787
|
[C][C][C][=C][C][=Branch1][S][=N][C][=C][N][=C][Branch1][Ring1][C][#N][C][=C][Ring1][N][Ring1][Branch2][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C@][Ring1][O][Branch1][C][O][C][C]
|
CHEMBL13788
|
[C][O][C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][=Branch1][C][=Ring2][Ring1][O][Cl]
|
CHEMBL13789
|
[C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL13810
|
[C][N][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][S]
|
CHEMBL13811
|
[C][C@@H1][C][C@@H1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=N][=Ring1][Branch1][C][C@H1][Ring1][S][N][Branch1][C][C][C][Ring2][Ring1][Branch1]
|
CHEMBL13812
|
[C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2]
|
CHEMBL13501
|
[C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P]
|
CHEMBL13502
|
[C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][O][C][=Branch1][C][=O][C][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1]
|
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