pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.95	Datawarrior	0	-1	[NH3+]CCCCCCC(=O)[O-]	NCCCCCCC(=O)[O-]	mol10267	NCCCCCCC(=O)O
10.5	AttenGpKa training set	0	-1	[NH3+]CCCCCCC(=O)[O-]	NCCCCCCC(=O)[O-]	mol10267	NCCCCCCC(=O)O
4.502	IUPAC digitized pKa	1	0	[NH3+]CCCCCCC(=O)O	[NH3+]CCCCCCC(=O)[O-]	mol10267	NCCCCCCC(=O)O
4.44	Datawarrior	1	0	[NH3+]CCCCCCC(=O)O	[NH3+]CCCCCCC(=O)[O-]	mol10267	NCCCCCCC(=O)O
4.52	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]CCCCCCC(=O)O	[NH3+]CCCCCCC(=O)[O-]	mol10267	NCCCCCCC(=O)O
4.4400001	OCHEM	1	0	[NH3+]CCCCCCC(=O)O	[NH3+]CCCCCCC(=O)[O-]	mol10267	NCCCCCCC(=O)O
4.44999980926514	QSARToolbox	1	0	[NH3+]CCCCCCC(=O)O	[NH3+]CCCCCCC(=O)[O-]	mol10267	NCCCCCCC(=O)O
4.42000007629395	QSARToolbox	1	0	[NH3+]CCCCCCC(=O)O	[NH3+]CCCCCCC(=O)[O-]	mol10267	NCCCCCCC(=O)O