pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	IUPAC digitized pKa	-2	-3	O=S(=O)([O-])c1cc2cn[nH]c2c(S(=O)(=O)[O-])c1O	O=S(=O)([O-])c1cc2cn[nH]c2c(S(=O)(=O)[O-])c1[O-],O=S(=O)([O-])c1cc2cn[n-]c2c(S(=O)(=O)[O-])c1O	mol10323	O=S(=O)(O)c1cc2cn[nH]c2c(S(=O)(=O)O)c1O
9.39999961853027	QSARToolbox	-2	-3	O=S(=O)([O-])c1cc2cn[nH]c2c(S(=O)(=O)[O-])c1O	O=S(=O)([O-])c1cc2cn[nH]c2c(S(=O)(=O)[O-])c1[O-],O=S(=O)([O-])c1cc2cn[n-]c2c(S(=O)(=O)[O-])c1O	mol10323	O=S(=O)(O)c1cc2cn[nH]c2c(S(=O)(=O)O)c1O