pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.51	IUPAC digitized pKa	0	-1	Cc1cccc(O)c1O	Cc1cccc([O-])c1O,Cc1cccc(O)c1[O-]	mol9963	Cc1cccc(O)c1O
9.28	Datawarrior	0	-1	Cc1cccc(O)c1O	Cc1cccc([O-])c1O,Cc1cccc(O)c1[O-]	mol9963	Cc1cccc(O)c1O
9.2799997	OCHEM	0	-1	Cc1cccc(O)c1O	Cc1cccc([O-])c1O,Cc1cccc(O)c1[O-]	mol9963	Cc1cccc(O)c1O
9.27999973297119	QSARToolbox	0	-1	Cc1cccc(O)c1O	Cc1cccc([O-])c1O,Cc1cccc(O)c1[O-]	mol9963	Cc1cccc(O)c1O
9.35	AttenGpKa training set	0	-1	Cc1cccc(O)c1O	Cc1cccc([O-])c1O,Cc1cccc(O)c1[O-]	mol9963	Cc1cccc(O)c1O
10.9	IUPAC digitized pKa	-1	-2	Cc1cccc([O-])c1O,Cc1cccc(O)c1[O-]	Cc1cccc([O-])c1[O-]	mol9963	Cc1cccc(O)c1O
12.9	AttenGpKa training set	-1	-2	Cc1cccc([O-])c1O,Cc1cccc(O)c1[O-]	Cc1cccc([O-])c1[O-]	mol9963	Cc1cccc(O)c1O