pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	IUPAC digitized pKa	0	-1	[NH3+]CC(=O)CCC(=O)[O-]	NCC(=O)CCC(=O)[O-]	mol9430	NCC(=O)CCC(=O)O
8.19999980926514	QSARToolbox	0	-1	[NH3+]CC(=O)CCC(=O)[O-]	NCC(=O)CCC(=O)[O-]	mol9430	NCC(=O)CCC(=O)O
4.05	IUPAC digitized pKa	1	0	[NH3+]CC(=O)CCC(=O)O	[NH3+]CC(=O)CCC(=O)[O-]	mol9430	NCC(=O)CCC(=O)O
4.05000019073486	QSARToolbox	1	0	[NH3+]CC(=O)CCC(=O)O	[NH3+]CC(=O)CCC(=O)[O-]	mol9430	NCC(=O)CCC(=O)O
4.0	QSARToolbox	1	0	[NH3+]CC(=O)CCC(=O)O	[NH3+]CC(=O)CCC(=O)[O-]	mol9430	NCC(=O)CCC(=O)O