pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.8	IUPAC digitized pKa	0	-1	Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl	[O-]c1c(O)c(Cl)c(Cl)c(Cl)c1Cl	mol9607	Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl
5.46	AttenGpKa training set	0	-1	Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl	[O-]c1c(O)c(Cl)c(Cl)c(Cl)c1Cl	mol9607	Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl
10.1	IUPAC digitized pKa	-1	-2	[O-]c1c(O)c(Cl)c(Cl)c(Cl)c1Cl	[O-]c1c([O-])c(Cl)c(Cl)c(Cl)c1Cl	mol9607	Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl