pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.15999984741211	QSARToolbox	-1	-2	O=C(O)c1ccc(NCCS(=O)(=O)[O-])cc1,O=C([O-])c1ccc(NCCS(=O)(=O)O)cc1	O=C([O-])c1ccc(NCCS(=O)(=O)[O-])cc1	mol36705	O=C(O)c1ccc(NCCS(=O)(=O)O)cc1