pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.97	Datawarrior	0	-1	[NH3+]CCCCCCCC(=O)[O-]	NCCCCCCCC(=O)[O-]	mol14074	NCCCCCCCC(=O)O
10.46	AttenGpKa training set	0	-1	[NH3+]CCCCCCCC(=O)[O-]	NCCCCCCCC(=O)[O-]	mol14074	NCCCCCCCC(=O)O
4.5	Datawarrior	1	0	[NH3+]CCCCCCCC(=O)O	[NH3+]CCCCCCCC(=O)[O-]	mol14074	NCCCCCCCC(=O)O
4.59	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]CCCCCCCC(=O)O	[NH3+]CCCCCCCC(=O)[O-]	mol14074	NCCCCCCCC(=O)O
4.48000001907349	QSARToolbox	1	0	[NH3+]CCCCCCCC(=O)O	[NH3+]CCCCCCCC(=O)[O-]	mol14074	NCCCCCCCC(=O)O