pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.32	Datawarrior	0	-1	[O-]c1c(Cl)cc(Cl)c(Cl)c1C[NH+]1CCCCC1	[O-]c1c(Cl)cc(Cl)c(Cl)c1CN1CCCCC1	mol15205	Oc1c(Cl)cc(Cl)c(Cl)c1CN1CCCCC1
5.06	Datawarrior	1	0	Oc1c(Cl)cc(Cl)c(Cl)c1C[NH+]1CCCCC1	[O-]c1c(Cl)cc(Cl)c(Cl)c1C[NH+]1CCCCC1	mol15205	Oc1c(Cl)cc(Cl)c(Cl)c1CN1CCCCC1
5.0599999	OCHEM	1	0	Oc1c(Cl)cc(Cl)c(Cl)c1C[NH+]1CCCCC1	[O-]c1c(Cl)cc(Cl)c(Cl)c1C[NH+]1CCCCC1	mol15205	Oc1c(Cl)cc(Cl)c(Cl)c1CN1CCCCC1
5.05999994277954	QSARToolbox	1	0	Oc1c(Cl)cc(Cl)c(Cl)c1C[NH+]1CCCCC1	[O-]c1c(Cl)cc(Cl)c(Cl)c1C[NH+]1CCCCC1	mol15205	Oc1c(Cl)cc(Cl)c(Cl)c1CN1CCCCC1