pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.86	Organic Oxygen Acids and Nitrogen Bases	0	-1	N#Cc1cc(Br)c(O)c(Br)c1	N#Cc1cc(Br)c([O-])c(Br)c1	mol2332	N#Cc1cc(Br)c(O)c(Br)c1
4.09	OCHEM	0	-1	N#Cc1cc(Br)c(O)c(Br)c1	N#Cc1cc(Br)c([O-])c(Br)c1	mol2332	N#Cc1cc(Br)c(O)c(Br)c1
3.95	OCHEM	0	-1	N#Cc1cc(Br)c(O)c(Br)c1	N#Cc1cc(Br)c([O-])c(Br)c1	mol2332	N#Cc1cc(Br)c(O)c(Br)c1
4.05	OCHEM	0	-1	N#Cc1cc(Br)c(O)c(Br)c1	N#Cc1cc(Br)c([O-])c(Br)c1	mol2332	N#Cc1cc(Br)c(O)c(Br)c1
4.05999994277954	QSARToolbox	0	-1	N#Cc1cc(Br)c(O)c(Br)c1	N#Cc1cc(Br)c([O-])c(Br)c1	mol2332	N#Cc1cc(Br)c(O)c(Br)c1