pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.23	IUPAC digitized pKa	0	-1	O=[N+]([O-])c1cccc([C@@H](O)C(F)(F)F)c1	O=[N+]([O-])c1cccc([C@@H]([O-])C(F)(F)F)c1	mol10736	O=[N+]([O-])c1cccc(C(O)C(F)(F)F)c1
11.1999998092651	QSARToolbox	0	-1	O=[N+]([O-])c1cccc([C@@H](O)C(F)(F)F)c1	O=[N+]([O-])c1cccc([C@@H]([O-])C(F)(F)F)c1	mol10736	O=[N+]([O-])c1cccc(C(O)C(F)(F)F)c1
11.2299995422363	QSARToolbox	0	-1	O=[N+]([O-])c1cccc([C@@H](O)C(F)(F)F)c1	O=[N+]([O-])c1cccc([C@@H]([O-])C(F)(F)F)c1	mol10736	O=[N+]([O-])c1cccc(C(O)C(F)(F)F)c1