pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.51	IUPAC digitized pKa	0	-1	COc1cc(S)ncn1	COc1cc([S-])ncn1	mol7483	COc1cc(S)ncn1
7.51000022888184	QSARToolbox	0	-1	COc1cc(S)ncn1	COc1cc([S-])ncn1	mol7483	COc1cc(S)ncn1
-1.98000001907349	QSARToolbox	1	0	COc1cc(S)nc[nH+]1,COc1cc(S)[nH+]cn1	COc1cc(S)ncn1	mol7483	COc1cc(S)ncn1