pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.1800000667572	QSARToolbox	0	-1	O=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	O=C([O-])[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	mol36791	O=C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
2.98000001907349	QSARToolbox	0	-1	O=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	O=C([O-])[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	mol36791	O=C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
3.0	QSARToolbox	0	-1	O=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	O=C([O-])[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	mol36791	O=C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O