pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.7	Datawarrior	1	0	CNCCC[NH2+]C	CNCCCNC	mol15956	CNCCCNC
10.6999998092651	QSARToolbox	1	0	CNCCC[NH2+]C	CNCCCNC	mol15956	CNCCCNC
8.68	Datawarrior	2	1	C[NH2+]CCC[NH2+]C	CNCCC[NH2+]C	mol15956	CNCCCNC
8.68000030517578	QSARToolbox	2	1	C[NH2+]CCC[NH2+]C	CNCCC[NH2+]C	mol15956	CNCCCNC