pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.28	Hunt	0	-1	CC(C)c1cc(O)c(=O)c(Br)cc1Br	CC(C)c1cc([O-])c(=O)c(Br)cc1Br	mol2198	CC(C)c1cc(O)c(=O)c(Br)cc1Br
6.28	AttenGpKa training set	0	-1	CC(C)c1cc(O)c(=O)c(Br)cc1Br	CC(C)c1cc([O-])c(=O)c(Br)cc1Br	mol2198	CC(C)c1cc(O)c(=O)c(Br)cc1Br