pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.83	Datawarrior	0	-1	Oc1ccccc1CN1CCCC1,[O-]c1ccccc1C[NH+]1CCCC1	[O-]c1ccccc1CN1CCCC1	mol13801	Oc1ccccc1CN1CCCC1
10.6000003814697	QSARToolbox	0	-1	Oc1ccccc1CN1CCCC1,[O-]c1ccccc1C[NH+]1CCCC1	[O-]c1ccccc1CN1CCCC1	mol13801	Oc1ccccc1CN1CCCC1
11.1000003814697	QSARToolbox	0	-1	Oc1ccccc1CN1CCCC1,[O-]c1ccccc1C[NH+]1CCCC1	[O-]c1ccccc1CN1CCCC1	mol13801	Oc1ccccc1CN1CCCC1
8.81	Datawarrior	1	0	Oc1ccccc1C[NH+]1CCCC1	Oc1ccccc1CN1CCCC1,[O-]c1ccccc1C[NH+]1CCCC1	mol13801	Oc1ccccc1CN1CCCC1
8.8100004	OCHEM	1	0	Oc1ccccc1C[NH+]1CCCC1	Oc1ccccc1CN1CCCC1,[O-]c1ccccc1C[NH+]1CCCC1	mol13801	Oc1ccccc1CN1CCCC1
8.55000019073486	QSARToolbox	1	0	Oc1ccccc1C[NH+]1CCCC1	Oc1ccccc1CN1CCCC1,[O-]c1ccccc1C[NH+]1CCCC1	mol13801	Oc1ccccc1CN1CCCC1