pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.46	Baltruschat ChEMBL	1	0	CCC[NH+](CCC)Cc1no[n+]([O-])c1C#N	CCCN(CCC)Cc1no[n+]([O-])c1C#N	mol16760	CCCN(CCC)Cc1no[n+]([O-])c1C#N