pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.67	Datawarrior	1	0	CNCCC[NH3+],C[NH2+]CCCN	CNCCCN	mol15867	CNCCCN
10.6700000762939	QSARToolbox	1	0	CNCCC[NH3+],C[NH2+]CCCN	CNCCCN	mol15867	CNCCCN
8.66	Datawarrior	2	1	C[NH2+]CCC[NH3+]	CNCCC[NH3+],C[NH2+]CCCN	mol15867	CNCCCN
8.65999984741211	QSARToolbox	2	1	C[NH2+]CCC[NH3+]	CNCCC[NH3+],C[NH2+]CCCN	mol15867	CNCCCN