pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.33	IUPAC digitized pKa	0	-1	Oc1cc(S)ncn1	[O-]c1cc(S)ncn1,Oc1cc([S-])ncn1	mol7467	Oc1cc(S)ncn1
4.32999992370606	QSARToolbox	0	-1	Oc1cc(S)ncn1	[O-]c1cc(S)ncn1,Oc1cc([S-])ncn1	mol7467	Oc1cc(S)ncn1
-1.70000004768372	QSARToolbox	1	0	Oc1cc(S)nc[nH+]1,Oc1cc(S)[nH+]cn1	Oc1cc(S)ncn1	mol7467	Oc1cc(S)ncn1
1.51999998092651	QSARToolbox	1	0	Oc1cc(S)nc[nH+]1,Oc1cc(S)[nH+]cn1	Oc1cc(S)ncn1	mol7467	Oc1cc(S)ncn1
10.52	IUPAC digitized pKa	-1	-2	[O-]c1cc(S)ncn1,Oc1cc([S-])ncn1	[O-]c1cc([S-])ncn1	mol7467	Oc1cc(S)ncn1