pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.91999995708466	QSARToolbox	0	-1	O=C(O)[C@@H]1O[C@H]1C(=O)O	O=C([O-])[C@@H]1O[C@H]1C(=O)O	mol22529	O=C(O)[C@@H]1O[C@H]1C(=O)O
3.25	QSARToolbox	-1	-2	O=C([O-])[C@@H]1O[C@H]1C(=O)O	O=C([O-])[C@@H]1O[C@H]1C(=O)[O-]	mol22529	O=C(O)[C@@H]1O[C@H]1C(=O)O
2.145	AttenGpKa training set	-1	-2	O=C([O-])[C@@H]1O[C@H]1C(=O)O	O=C([O-])[C@@H]1O[C@H]1C(=O)[O-]	mol22529	O=C(O)[C@@H]1O[C@H]1C(=O)O
3.305	AttenGpKa training set	-1	-2	O=C([O-])[C@@H]1O[C@H]1C(=O)O	O=C([O-])[C@@H]1O[C@H]1C(=O)[O-]	mol22529	O=C(O)[C@@H]1O[C@H]1C(=O)O