pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.89	Datawarrior	1	0	CCCCCC[NH+](CCCCCC)c1ccccc1	CCCCCCN(CCCCCC)c1ccccc1	mol15582	CCCCCCN(CCCCCC)c1ccccc1
4.8899999	OCHEM	1	0	CCCCCC[NH+](CCCCCC)c1ccccc1	CCCCCCN(CCCCCC)c1ccccc1	mol15582	CCCCCCN(CCCCCC)c1ccccc1
4.8899998664856	QSARToolbox	1	0	CCCCCC[NH+](CCCCCC)c1ccccc1	CCCCCCN(CCCCCC)c1ccccc1	mol15582	CCCCCCN(CCCCCC)c1ccccc1