pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.74	Datawarrior	1	0	C#CCCCCCC[NH3+]	C#CCCCCCCN	mol13498	C#CCCCCCCN
10.7399997711182	QSARToolbox	1	0	C#CCCCCCC[NH3+]	C#CCCCCCCN	mol13498	C#CCCCCCCN