pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.32	Datawarrior	1	0	CCC(C)(CC)[NH2+]c1ccccc1	CCC(C)(CC)Nc1ccccc1	mol2079	CCC(C)(CC)Nc1ccccc1
6.3200002	OCHEM	1	0	CCC(C)(CC)[NH2+]c1ccccc1	CCC(C)(CC)Nc1ccccc1	mol2079	CCC(C)(CC)Nc1ccccc1
6.34	Hunt	1	0	CCC(C)(CC)[NH2+]c1ccccc1	CCC(C)(CC)Nc1ccccc1	mol2079	CCC(C)(CC)Nc1ccccc1
6.30000019073486	QSARToolbox	1	0	CCC(C)(CC)[NH2+]c1ccccc1	CCC(C)(CC)Nc1ccccc1	mol2079	CCC(C)(CC)Nc1ccccc1
6.34000015258789	QSARToolbox	1	0	CCC(C)(CC)[NH2+]c1ccccc1	CCC(C)(CC)Nc1ccccc1	mol2079	CCC(C)(CC)Nc1ccccc1