pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.35	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cc(Cl)c(Cl)c(Cl)c1Cl	[O-]c1cc(Cl)c(Cl)c(Cl)c1Cl	mol436	Oc1cc(Cl)c(Cl)c(Cl)c1Cl
5.97	AttenGpKa training set	0	-1	Oc1cc(Cl)c(Cl)c(Cl)c1Cl	[O-]c1cc(Cl)c(Cl)c(Cl)c1Cl	mol436	Oc1cc(Cl)c(Cl)c(Cl)c1Cl