pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.72	IUPAC digitized pKa	0	-1	COc1ccc([S@](=O)O)cc1	COc1ccc([S@](=O)[O-])cc1	mol10198	COc1ccc(S(=O)O)cc1
1.70000004768372	QSARToolbox	0	-1	COc1ccc([S@](=O)O)cc1	COc1ccc([S@](=O)[O-])cc1	mol10198	COc1ccc(S(=O)O)cc1