pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.44	IUPAC digitized pKa	0	-1	CCOC(=O)C(CC)(CC)C(=O)O	CCOC(=O)C(CC)(CC)C(=O)[O-]	mol10925	CCOC(=O)C(CC)(CC)C(=O)O
3.54	IUPAC digitized pKa	0	-1	CCOC(=O)C(CC)(CC)C(=O)O	CCOC(=O)C(CC)(CC)C(=O)[O-]	mol10925	CCOC(=O)C(CC)(CC)C(=O)O
3.64	IUPAC digitized pKa	0	-1	CCOC(=O)C(CC)(CC)C(=O)O	CCOC(=O)C(CC)(CC)C(=O)[O-]	mol10925	CCOC(=O)C(CC)(CC)C(=O)O
3.7	IUPAC digitized pKa	0	-1	CCOC(=O)C(CC)(CC)C(=O)O	CCOC(=O)C(CC)(CC)C(=O)[O-]	mol10925	CCOC(=O)C(CC)(CC)C(=O)O
4.13	IUPAC digitized pKa	0	-1	CCOC(=O)C(CC)(CC)C(=O)O	CCOC(=O)C(CC)(CC)C(=O)[O-]	mol10925	CCOC(=O)C(CC)(CC)C(=O)O
3.53999996185303	QSARToolbox	0	-1	CCOC(=O)C(CC)(CC)C(=O)O	CCOC(=O)C(CC)(CC)C(=O)[O-]	mol10925	CCOC(=O)C(CC)(CC)C(=O)O