pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.56	IUPAC digitized pKa	0	-1	Oc1ncc(-c2ccc(Br)cc2)cn1	[O-]c1ncc(-c2ccc(Br)cc2)cn1	mol7176	Oc1ncc(-c2ccc(Br)cc2)cn1
8.5600004196167	QSARToolbox	0	-1	Oc1ncc(-c2ccc(Br)cc2)cn1	[O-]c1ncc(-c2ccc(Br)cc2)cn1	mol7176	Oc1ncc(-c2ccc(Br)cc2)cn1
1.62999999523163	QSARToolbox	1	0	Oc1ncc(-c2ccc(Br)cc2)c[nH+]1	Oc1ncc(-c2ccc(Br)cc2)cn1	mol7176	Oc1ncc(-c2ccc(Br)cc2)cn1