pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	IUPAC digitized pKa	0	-1	O=c1cc(O)cc(O)[nH]1	O=c1cc(O)cc([O-])[nH]1,O=c1cc([O-])cc(O)[nH]1	mol9362	O=c1cc(O)cc(O)[nH]1
4.59999990463257	QSARToolbox	0	-1	O=c1cc(O)cc(O)[nH]1	O=c1cc(O)cc([O-])[nH]1,O=c1cc([O-])cc(O)[nH]1	mol9362	O=c1cc(O)cc(O)[nH]1
9.0	IUPAC digitized pKa	-1	-2	O=c1cc(O)cc([O-])[nH]1,O=c1cc([O-])cc(O)[nH]1	O=c1cc(O)cc([O-])[n-]1,O=c1cc([O-])cc(O)[n-]1,O=c1cc([O-])cc([O-])[nH]1	mol9362	O=c1cc(O)cc(O)[nH]1
13.0	AttenGpKa training set	-2	-3	O=c1cc(O)cc([O-])[n-]1,O=c1cc([O-])cc(O)[n-]1,O=c1cc([O-])cc([O-])[nH]1	O=c1cc([O-])cc([O-])[n-]1	mol9362	O=c1cc(O)cc(O)[nH]1