pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.96000003814697	QSARToolbox	0	-1	O=C(O)[C@H]1CCC[C@@H]1C(=O)O	O=C([O-])[C@H]1CCC[C@@H]1C(=O)O	mol36339	O=C(O)[C@H]1CCC[C@@H]1C(=O)O