pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.77999997138977	QSARToolbox	-1	-2	O=C(O)c1cccc(S(=O)(=O)[O-])c1	O=C([O-])c1cccc(S(=O)(=O)[O-])c1	mol22867	O=C(O)c1cccc(S(=O)(=O)O)c1
4.15000009536743	QSARToolbox	-1	-2	O=C(O)c1cccc(S(=O)(=O)[O-])c1	O=C([O-])c1cccc(S(=O)(=O)[O-])c1	mol22867	O=C(O)c1cccc(S(=O)(=O)O)c1
4.12	AttenGpKa training set	-1	-2	O=C(O)c1cccc(S(=O)(=O)[O-])c1	O=C([O-])c1cccc(S(=O)(=O)[O-])c1	mol22867	O=C(O)c1cccc(S(=O)(=O)O)c1