pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.81	IUPAC digitized pKa	0	-1	COc1ccc(O)c(Br)c1	COc1ccc([O-])c(Br)c1	mol10147	COc1ccc(O)c(Br)c1
8.69	IUPAC digitized pKa	0	-1	COc1ccc(O)c(Br)c1	COc1ccc([O-])c(Br)c1	mol10147	COc1ccc(O)c(Br)c1
8.57	IUPAC digitized pKa	0	-1	COc1ccc(O)c(Br)c1	COc1ccc([O-])c(Br)c1	mol10147	COc1ccc(O)c(Br)c1
8.62	Datawarrior	0	-1	COc1ccc(O)c(Br)c1	COc1ccc([O-])c(Br)c1	mol10147	COc1ccc(O)c(Br)c1
8.6199999	OCHEM	0	-1	COc1ccc(O)c(Br)c1	COc1ccc([O-])c(Br)c1	mol10147	COc1ccc(O)c(Br)c1
8.6899995803833	QSARToolbox	0	-1	COc1ccc(O)c(Br)c1	COc1ccc([O-])c(Br)c1	mol10147	COc1ccc(O)c(Br)c1