pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.55	AttenGpKa training set	0	-1	CC(C)c1cc(Br)cc(Br)c(O)c1=O	CC(C)c1cc(Br)cc(Br)c([O-])c1=O	mol31295	CC(C)c1cc(Br)cc(Br)c(O)c1=O