pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.34	IUPAC digitized pKa	0	-1	CCC(CC)(C(=O)O)C(CC)(CC)C(=O)OC	CCC(CC)(C(=O)[O-])C(CC)(CC)C(=O)OC	mol11832	CCC(CC)(C(=O)O)C(CC)(CC)C(=O)OC
5.83	IUPAC digitized pKa	0	-1	CCC(CC)(C(=O)O)C(CC)(CC)C(=O)OC	CCC(CC)(C(=O)[O-])C(CC)(CC)C(=O)OC	mol11832	CCC(CC)(C(=O)O)C(CC)(CC)C(=O)OC
5.34000015258789	QSARToolbox	0	-1	CCC(CC)(C(=O)O)C(CC)(CC)C(=O)OC	CCC(CC)(C(=O)[O-])C(CC)(CC)C(=O)OC	mol11832	CCC(CC)(C(=O)O)C(CC)(CC)C(=O)OC