pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.54	Datawarrior	0	-1	O/N=C/c1ccc(Cl)cc1	[O-]/N=C/c1ccc(Cl)cc1	mol13074	O/N=C/c1ccc(Cl)cc1
10.3900003433228	QSARToolbox	0	-1	O/N=C/c1ccc(Cl)cc1	[O-]/N=C/c1ccc(Cl)cc1	mol13074	O/N=C/c1ccc(Cl)cc1
10.6899995803833	QSARToolbox	0	-1	O/N=C/c1ccc(Cl)cc1	[O-]/N=C/c1ccc(Cl)cc1	mol13074	O/N=C/c1ccc(Cl)cc1
10.6599998474121	QSARToolbox	0	-1	O/N=C/c1ccc(Cl)cc1	[O-]/N=C/c1ccc(Cl)cc1	mol13074	O/N=C/c1ccc(Cl)cc1
10.585	AttenGpKa training set	0	-1	O/N=C/c1ccc(Cl)cc1	[O-]/N=C/c1ccc(Cl)cc1	mol13074	O/N=C/c1ccc(Cl)cc1