pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	AttenGpKa training set	0	-1	O=C(O)C1=CCc2ccccc21	O=C([O-])C1=CCc2ccccc21	mol22347	O=C(O)C1=CCc2ccccc21
11.6899995803833	QSARToolbox	-1	-2	O=C([O-])C1=CCc2ccccc21	O=C([O-])c1c[cH-]c2ccccc12	mol22347	O=C(O)C1=CCc2ccccc21
15.1999998092651	QSARToolbox	-1	-2	O=C([O-])C1=CCc2ccccc21	O=C([O-])c1c[cH-]c2ccccc12	mol22347	O=C(O)C1=CCc2ccccc21