pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.45	IUPAC digitized pKa	0	-1	O=C(CCl)c1ccc(O)c(O)c1	O=C(CCl)c1ccc([O-])c(O)c1,O=C(CCl)c1ccc(O)c([O-])c1	mol10557	O=C(CCl)c1ccc(O)c(O)c1
7.4	AttenGpKa training set	0	-1	O=C(CCl)c1ccc(O)c(O)c1	O=C(CCl)c1ccc([O-])c(O)c1,O=C(CCl)c1ccc(O)c([O-])c1	mol10557	O=C(CCl)c1ccc(O)c(O)c1
11.54	IUPAC digitized pKa	-1	-2	O=C(CCl)c1ccc([O-])c(O)c1,O=C(CCl)c1ccc(O)c([O-])c1	O=C(CCl)c1ccc([O-])c([O-])c1	mol10557	O=C(CCl)c1ccc(O)c(O)c1
12.0	AttenGpKa training set	-1	-2	O=C(CCl)c1ccc([O-])c(O)c1,O=C(CCl)c1ccc(O)c([O-])c1	O=C(CCl)c1ccc([O-])c([O-])c1	mol10557	O=C(CCl)c1ccc(O)c(O)c1