pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.95	IUPAC digitized pKa	1	0	CCCC[NH+](CCCl)CCCl	CCCCN(CCCl)CCCl	mol911	CCCCN(CCCl)CCCl
6.61	IUPAC digitized pKa	1	0	CCCC[NH+](CCCl)CCCl	CCCCN(CCCl)CCCl	mol911	CCCCN(CCCl)CCCl
6.63	Datawarrior	1	0	CCCC[NH+](CCCl)CCCl	CCCCN(CCCl)CCCl	mol911	CCCCN(CCCl)CCCl
6.6300001	OCHEM	1	0	CCCC[NH+](CCCl)CCCl	CCCCN(CCCl)CCCl	mol911	CCCCN(CCCl)CCCl
6.78	OCHEM	1	0	CCCC[NH+](CCCl)CCCl	CCCCN(CCCl)CCCl	mol911	CCCCN(CCCl)CCCl