pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.588	IUPAC digitized pKa	0	-1	COc1cccc(S(=O)(=O)CC(=O)O)c1	COc1cccc(S(=O)(=O)CC(=O)[O-])c1	mol11038	COc1cccc(S(=O)(=O)CC(=O)O)c1
2.58999991416931	QSARToolbox	0	-1	COc1cccc(S(=O)(=O)CC(=O)O)c1	COc1cccc(S(=O)(=O)CC(=O)[O-])c1	mol11038	COc1cccc(S(=O)(=O)CC(=O)O)c1
4.44000005722046	QSARToolbox	0	-1	COc1cccc(S(=O)(=O)CC(=O)O)c1	COc1cccc(S(=O)(=O)CC(=O)[O-])c1	mol11038	COc1cccc(S(=O)(=O)CC(=O)O)c1
2.58800005912781	QSARToolbox	0	-1	COc1cccc(S(=O)(=O)CC(=O)O)c1	COc1cccc(S(=O)(=O)CC(=O)[O-])c1	mol11038	COc1cccc(S(=O)(=O)CC(=O)O)c1