pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.82999992370606	QSARToolbox	-3	-4	O=C(O)[C@H]([C@H](C(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],O=C([O-])[C@H]([C@H](C(=O)[O-])S(=O)(=O)O)S(=O)(=O)[O-]	O=C([O-])[C@H]([C@H](C(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]	mol35966	O=C(O)C(C(C(=O)O)S(=O)(=O)O)S(=O)(=O)O