pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.7	Datawarrior	0	-1	[NH3+]CCCCCC#CC#CCCC(=O)[O-]	NCCCCCC#CC#CCCC(=O)[O-]	mol14285	NCCCCCC#CC#CCCC(=O)O
10.6999998092651	QSARToolbox	0	-1	[NH3+]CCCCCC#CC#CCCC(=O)[O-]	NCCCCCC#CC#CCCC(=O)[O-]	mol14285	NCCCCCC#CC#CCCC(=O)O
4.17	Datawarrior	1	0	[NH3+]CCCCCC#CC#CCCC(=O)O	[NH3+]CCCCCC#CC#CCCC(=O)[O-]	mol14285	NCCCCCC#CC#CCCC(=O)O
4.1700001	OCHEM	1	0	[NH3+]CCCCCC#CC#CCCC(=O)O	[NH3+]CCCCCC#CC#CCCC(=O)[O-]	mol14285	NCCCCCC#CC#CCCC(=O)O
4.17000007629395	QSARToolbox	1	0	[NH3+]CCCCCC#CC#CCCC(=O)O	[NH3+]CCCCCC#CC#CCCC(=O)[O-]	mol14285	NCCCCCC#CC#CCCC(=O)O