pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.45	IUPAC digitized pKa	-1	-2	O=S(=O)([O-])c1c(O)ccc2cn[nH]c12	O=S(=O)([O-])c1c(O)ccc2cn[n-]c12,O=S(=O)([O-])c1c([O-])ccc2cn[nH]c12	mol10320	O=S(=O)(O)c1c(O)ccc2cn[nH]c12
9.4499998	OCHEM	-1	-2	O=S(=O)([O-])c1c(O)ccc2cn[nH]c12	O=S(=O)([O-])c1c(O)ccc2cn[n-]c12,O=S(=O)([O-])c1c([O-])ccc2cn[nH]c12	mol10320	O=S(=O)(O)c1c(O)ccc2cn[nH]c12
9.44999980926514	QSARToolbox	-1	-2	O=S(=O)([O-])c1c(O)ccc2cn[nH]c12	O=S(=O)([O-])c1c(O)ccc2cn[n-]c12,O=S(=O)([O-])c1c([O-])ccc2cn[nH]c12	mol10320	O=S(=O)(O)c1c(O)ccc2cn[nH]c12