pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.1700000762939	QSARToolbox	-1	-2	CO[C@@H]1O[C@H](CO)[C@@H]([O-])[C@@H]1O,CO[C@@H]1O[C@H](C[O-])[C@@H](O)[C@@H]1O,CO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1[O-]	CO[C@@H]1O[C@H](C[O-])[C@@H]([O-])[C@@H]1O,CO[C@@H]1O[C@H](C[O-])[C@@H](O)[C@@H]1[O-],CO[C@@H]1O[C@H](CO)[C@@H]([O-])[C@@H]1[O-]	mol36681	CO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O