pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.75	QSARToolbox	0	-1	O=C(O)c1cc2ccccc2[nH]1	O=C([O-])c1cc2ccccc2[nH]1	mol10945	O=C(O)c1cc2ccccc2[nH]1
3.78999996185303	QSARToolbox	0	-1	O=C(O)c1cc2ccccc2[nH]1	O=C([O-])c1cc2ccccc2[nH]1	mol10945	O=C(O)c1cc2ccccc2[nH]1
3.83999991416931	QSARToolbox	0	-1	O=C(O)c1cc2ccccc2[nH]1	O=C([O-])c1cc2ccccc2[nH]1	mol10945	O=C(O)c1cc2ccccc2[nH]1
3.84	AttenGpKa training set	0	-1	O=C(O)c1cc2ccccc2[nH]1	O=C([O-])c1cc2ccccc2[nH]1	mol10945	O=C(O)c1cc2ccccc2[nH]1
17.13	IUPAC digitized pKa	-1	-2	O=C([O-])c1cc2ccccc2[nH]1	O=C([O-])c1cc2ccccc2[n-]1	mol10945	O=C(O)c1cc2ccccc2[nH]1