pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.18	IUPAC digitized pKa	0	-1	Sc1ncc2ccccc2n1	[S-]c1ncc2ccccc2n1	mol4631	Sc1ncc2ccccc2n1
8.2	OCHEM	0	-1	Sc1ncc2ccccc2n1	[S-]c1ncc2ccccc2n1	mol4631	Sc1ncc2ccccc2n1
8.18000030517578	QSARToolbox	0	-1	Sc1ncc2ccccc2n1	[S-]c1ncc2ccccc2n1	mol4631	Sc1ncc2ccccc2n1
8.14	AttenGpKa training set	0	-1	Sc1ncc2ccccc2n1	[S-]c1ncc2ccccc2n1	mol4631	Sc1ncc2ccccc2n1
0.259999990463257	QSARToolbox	1	0	Sc1nc2ccccc2c[nH+]1,Sc1ncc2ccccc2[nH+]1	Sc1ncc2ccccc2n1	mol4631	Sc1ncc2ccccc2n1
0.26	AttenGpKa training set	1	0	Sc1nc2ccccc2c[nH+]1,Sc1ncc2ccccc2[nH+]1	Sc1ncc2ccccc2n1	mol4631	Sc1ncc2ccccc2n1