pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.84999990463257	QSARToolbox	0	-1	O=C(O)[C@@H]1CCCC[C@H]1[C@@H]1CCCC[C@H]1C(=O)O	O=C([O-])[C@@H]1CCCC[C@H]1[C@@H]1CCCC[C@H]1C(=O)O	mol37790	O=C(O)[C@@H]1CCCC[C@H]1[C@@H]1CCCC[C@H]1C(=O)O