pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.44000005722046	QSARToolbox	0	-1	O=C(O)[C@@H]1C[C@H]2C[C@@H]1[C@@H](O)C2	O=C([O-])[C@@H]1C[C@H]2C[C@@H]1[C@@H](O)C2	mol37327	O=C(O)[C@@H]1C[C@H]2C[C@@H]1[C@@H](O)C2