pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.3	Datawarrior	1	0	CCCC[NH2+]CCC#N	CCCCNCCC#N	mol13488	CCCCNCCC#N
8.3000002	OCHEM	1	0	CCCC[NH2+]CCC#N	CCCCNCCC#N	mol13488	CCCCNCCC#N
8.30000019073486	QSARToolbox	1	0	CCCC[NH2+]CCC#N	CCCCNCCC#N	mol13488	CCCCNCCC#N
