pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.09	Datawarrior	1	0	CC1NCCC[NH2+]1	CC1NCCCN1	mol16023	CC1NCCCN1
9.0900002	OCHEM	1	0	CC1NCCC[NH2+]1	CC1NCCCN1	mol16023	CC1NCCCN1
7.19	Datawarrior	2	1	CC1[NH2+]CCC[NH2+]1	CC1NCCC[NH2+]1	mol16023	CC1NCCCN1