pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.32	IUPAC digitized pKa	0	-1	Sc1cccnn1	[S-]c1cccnn1	mol4037	Sc1cccnn1
8.3	OCHEM	0	-1	Sc1cccnn1	[S-]c1cccnn1	mol4037	Sc1cccnn1
8.31999969482422	QSARToolbox	0	-1	Sc1cccnn1	[S-]c1cccnn1	mol4037	Sc1cccnn1
-2.6800000667572	QSARToolbox	1	0	Sc1ccc[nH+]n1,Sc1cccn[nH+]1	Sc1cccnn1	mol4037	Sc1cccnn1
-2.68	AttenGpKa training set	1	0	Sc1ccc[nH+]n1,Sc1cccn[nH+]1	Sc1cccnn1	mol4037	Sc1cccnn1