pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.65	IUPAC digitized pKa	0	-1	CCCC(CCC)(CC(=O)O)CC(=O)O	CCCC(CCC)(CC(=O)[O-])CC(=O)O	mol11537	CCCC(CCC)(CC(=O)O)CC(=O)O
3.69000005722046	QSARToolbox	0	-1	CCCC(CCC)(CC(=O)O)CC(=O)O	CCCC(CCC)(CC(=O)[O-])CC(=O)O	mol11537	CCCC(CCC)(CC(=O)O)CC(=O)O
3.67	AttenGpKa training set	0	-1	CCCC(CCC)(CC(=O)O)CC(=O)O	CCCC(CCC)(CC(=O)[O-])CC(=O)O	mol11537	CCCC(CCC)(CC(=O)O)CC(=O)O
7.48	IUPAC digitized pKa	-1	-2	CCCC(CCC)(CC(=O)[O-])CC(=O)O	CCCC(CCC)(CC(=O)[O-])CC(=O)[O-]	mol11537	CCCC(CCC)(CC(=O)O)CC(=O)O
3.99	OCHEM	-1	-2	CCCC(CCC)(CC(=O)[O-])CC(=O)O	CCCC(CCC)(CC(=O)[O-])CC(=O)[O-]	mol11537	CCCC(CCC)(CC(=O)O)CC(=O)O
7.30999994277954	QSARToolbox	-1	-2	CCCC(CCC)(CC(=O)[O-])CC(=O)O	CCCC(CCC)(CC(=O)[O-])CC(=O)[O-]	mol11537	CCCC(CCC)(CC(=O)O)CC(=O)O
7.395	AttenGpKa training set	-1	-2	CCCC(CCC)(CC(=O)[O-])CC(=O)O	CCCC(CCC)(CC(=O)[O-])CC(=O)[O-]	mol11537	CCCC(CCC)(CC(=O)O)CC(=O)O