pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.94	Datawarrior	0	-1	[NH3+]CCCC#CC#CCCC(=O)[O-]	NCCCC#CC#CCCC(=O)[O-]	mol13700	NCCCC#CC#CCCC(=O)O
9.9399996	OCHEM	0	-1	[NH3+]CCCC#CC#CCCC(=O)[O-]	NCCCC#CC#CCCC(=O)[O-]	mol13700	NCCCC#CC#CCCC(=O)O
9.27000045776367	QSARToolbox	0	-1	[NH3+]CCCC#CC#CCCC(=O)[O-]	NCCCC#CC#CCCC(=O)[O-]	mol13700	NCCCC#CC#CCCC(=O)O
4.12	Datawarrior	1	0	[NH3+]CCCC#CC#CCCC(=O)O	[NH3+]CCCC#CC#CCCC(=O)[O-]	mol13700	NCCCC#CC#CCCC(=O)O
4.1199999	OCHEM	1	0	[NH3+]CCCC#CC#CCCC(=O)O	[NH3+]CCCC#CC#CCCC(=O)[O-]	mol13700	NCCCC#CC#CCCC(=O)O
4.11999988555908	QSARToolbox	1	0	[NH3+]CCCC#CC#CCCC(=O)O	[NH3+]CCCC#CC#CCCC(=O)[O-]	mol13700	NCCCC#CC#CCCC(=O)O