pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.84	OCHEM	0	-1	COC(=O)C(CCCC(=O)O)(c1ccccc1)c1ccccc1	COC(=O)C(CCCC(=O)[O-])(c1ccccc1)c1ccccc1	mol33069	COC(=O)C(CCCC(=O)O)(c1ccccc1)c1ccccc1
4.84000015258789	QSARToolbox	0	-1	COC(=O)C(CCCC(=O)O)(c1ccccc1)c1ccccc1	COC(=O)C(CCCC(=O)[O-])(c1ccccc1)c1ccccc1	mol33069	COC(=O)C(CCCC(=O)O)(c1ccccc1)c1ccccc1