pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.65	IUPAC digitized pKa	-1	-2	O=C(O)c1ccc(S(=O)(=O)[O-])cc1	O=C([O-])c1ccc(S(=O)(=O)[O-])cc1	mol10127	O=C(O)c1ccc(S(=O)(=O)O)cc1
4.12	IUPAC digitized pKa	-1	-2	O=C(O)c1ccc(S(=O)(=O)[O-])cc1	O=C([O-])c1ccc(S(=O)(=O)[O-])cc1	mol10127	O=C(O)c1ccc(S(=O)(=O)O)cc1
3.72000002861023	QSARToolbox	-1	-2	O=C(O)c1ccc(S(=O)(=O)[O-])cc1	O=C([O-])c1ccc(S(=O)(=O)[O-])cc1	mol10127	O=C(O)c1ccc(S(=O)(=O)O)cc1
4.1100001335144	QSARToolbox	-1	-2	O=C(O)c1ccc(S(=O)(=O)[O-])cc1	O=C([O-])c1ccc(S(=O)(=O)[O-])cc1	mol10127	O=C(O)c1ccc(S(=O)(=O)O)cc1
4.03	AttenGpKa training set	-1	-2	O=C(O)c1ccc(S(=O)(=O)[O-])cc1	O=C([O-])c1ccc(S(=O)(=O)[O-])cc1	mol10127	O=C(O)c1ccc(S(=O)(=O)O)cc1