pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.17999982833862	QSARToolbox	0	-1	COC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]1(C)C(=O)O	COC(=O)[C@H]1[C@](C)(C(=O)[O-])CCC[C@]1(C)C(=O)O	mol36621	COC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]1(C)C(=O)O