pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.72000002861023	QSARToolbox	-1	-2	O=C(O)c1ccccc1S(=O)(=O)[O-]	O=C([O-])c1ccccc1S(=O)(=O)[O-]	mol22868	O=C(O)c1ccccc1S(=O)(=O)O
3.82	AttenGpKa training set	-1	-2	O=C(O)c1ccccc1S(=O)(=O)[O-]	O=C([O-])c1ccccc1S(=O)(=O)[O-]	mol22868	O=C(O)c1ccccc1S(=O)(=O)O