pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.62	IUPAC digitized pKa	0	-1	Sc1cc2ccccc2cn1	[S-]c1cc2ccccc2cn1	mol4333	Sc1cc2ccccc2cn1
8.58	Datawarrior	0	-1	Sc1cc2ccccc2cn1	[S-]c1cc2ccccc2cn1	mol4333	Sc1cc2ccccc2cn1
8.5799999	OCHEM	0	-1	Sc1cc2ccccc2cn1	[S-]c1cc2ccccc2cn1	mol4333	Sc1cc2ccccc2cn1
8.61999988555908	QSARToolbox	0	-1	Sc1cc2ccccc2cn1	[S-]c1cc2ccccc2cn1	mol4333	Sc1cc2ccccc2cn1
0.39	Datawarrior	1	0	Sc1cc2ccccc2c[nH+]1	Sc1cc2ccccc2cn1	mol4333	Sc1cc2ccccc2cn1
0.38999999	OCHEM	1	0	Sc1cc2ccccc2c[nH+]1	Sc1cc2ccccc2cn1	mol4333	Sc1cc2ccccc2cn1
0.389999985694885	QSARToolbox	1	0	Sc1cc2ccccc2c[nH+]1	Sc1cc2ccccc2cn1	mol4333	Sc1cc2ccccc2cn1