pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.96	IUPAC digitized pKa	0	-1	O=C(O)COc1ccccc1Cl	O=C([O-])COc1ccccc1Cl	mol10553	O=C(O)COc1ccccc1Cl
3.05	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1ccccc1Cl	O=C([O-])COc1ccccc1Cl	mol10553	O=C(O)COc1ccccc1Cl
3.04999995231628	QSARToolbox	0	-1	O=C(O)COc1ccccc1Cl	O=C([O-])COc1ccccc1Cl	mol10553	O=C(O)COc1ccccc1Cl
2.96000003814697	QSARToolbox	0	-1	O=C(O)COc1ccccc1Cl	O=C([O-])COc1ccccc1Cl	mol10553	O=C(O)COc1ccccc1Cl
4.42999982833862	QSARToolbox	0	-1	O=C(O)COc1ccccc1Cl	O=C([O-])COc1ccccc1Cl	mol10553	O=C(O)COc1ccccc1Cl
3.5	QSARToolbox	0	-1	O=C(O)COc1ccccc1Cl	O=C([O-])COc1ccccc1Cl	mol10553	O=C(O)COc1ccccc1Cl
3.02	AttenGpKa training set	0	-1	O=C(O)COc1ccccc1Cl	O=C([O-])COc1ccccc1Cl	mol10553	O=C(O)COc1ccccc1Cl