pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.42000007629395	QSARToolbox	0	-1	O=C(O)[C@H]1CC[C@H](C(=O)O)C1	O=C([O-])[C@H]1CC[C@H](C(=O)O)C1	mol36341	O=C(O)[C@H]1CC[C@H](C(=O)O)C1
4.32000017166138	QSARToolbox	0	-1	O=C(O)[C@H]1CC[C@H](C(=O)O)C1	O=C([O-])[C@H]1CC[C@H](C(=O)O)C1	mol36341	O=C(O)[C@H]1CC[C@H](C(=O)O)C1