pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.6	Datawarrior	1	0	CCNC(=O)[C@@H]1CCCC[NH2+]1	CCNC(=O)[C@@H]1CCCCN1	mol14173	CCNC(=O)C1CCCCN1
8.6000004	OCHEM	1	0	CCNC(=O)[C@@H]1CCCC[NH2+]1	CCNC(=O)[C@@H]1CCCCN1	mol14173	CCNC(=O)C1CCCCN1
8.60000038146973	QSARToolbox	1	0	CCNC(=O)[C@@H]1CCCC[NH2+]1	CCNC(=O)[C@@H]1CCCCN1	mol14173	CCNC(=O)C1CCCCN1