pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.31	Datawarrior	0	-1	[O-]c1ccc(F)cc1C[NH+]1CCCCC1,Oc1ccc(F)cc1CN1CCCCC1	[O-]c1ccc(F)cc1CN1CCCCC1	mol15782	Oc1ccc(F)cc1CN1CCCCC1
11.3100004196167	QSARToolbox	0	-1	[O-]c1ccc(F)cc1C[NH+]1CCCCC1,Oc1ccc(F)cc1CN1CCCCC1	[O-]c1ccc(F)cc1CN1CCCCC1	mol15782	Oc1ccc(F)cc1CN1CCCCC1
8.81	Datawarrior	1	0	Oc1ccc(F)cc1C[NH+]1CCCCC1	[O-]c1ccc(F)cc1C[NH+]1CCCCC1,Oc1ccc(F)cc1CN1CCCCC1	mol15782	Oc1ccc(F)cc1CN1CCCCC1
8.8100004	OCHEM	1	0	Oc1ccc(F)cc1C[NH+]1CCCCC1	[O-]c1ccc(F)cc1C[NH+]1CCCCC1,Oc1ccc(F)cc1CN1CCCCC1	mol15782	Oc1ccc(F)cc1CN1CCCCC1