pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.80999994277954	QSARToolbox	0	-1	O=C(O)[C@H]1C[C@@H](C(=O)O)C1	O=C([O-])[C@H]1C[C@@H](C(=O)O)C1	mol32980	O=C(O)C1CC(C(=O)O)C1
4.03000020980835	QSARToolbox	0	-1	O=C(O)[C@H]1C[C@@H](C(=O)O)C1	O=C([O-])[C@H]1C[C@@H](C(=O)O)C1	mol32980	O=C(O)C1CC(C(=O)O)C1
4.4	OCHEM	-1	-2	O=C([O-])[C@H]1C[C@@H](C(=O)O)C1	O=C([O-])[C@H]1C[C@@H](C(=O)[O-])C1	mol32980	O=C(O)C1CC(C(=O)O)C1
4.8	OCHEM	-1	-2	O=C([O-])[C@H]1C[C@@H](C(=O)O)C1	O=C([O-])[C@H]1C[C@@H](C(=O)[O-])C1	mol32980	O=C(O)C1CC(C(=O)O)C1
5.28000020980835	QSARToolbox	-1	-2	O=C([O-])[C@H]1C[C@@H](C(=O)O)C1	O=C([O-])[C@H]1C[C@@H](C(=O)[O-])C1	mol32980	O=C(O)C1CC(C(=O)O)C1