pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1000003814697	QSARToolbox	-1	-2	Nc1ccc2c(c1)[C@@](O)(O[O-])N=NC2=O	Nc1ccc2c(c1)[C@@]([O-])(O[O-])N=NC2=O	mol24840	Nc1ccc2c(c1)C(O)(OO)N=NC2=O
10.1	AttenGpKa training set	-1	-2	Nc1ccc2c(c1)[C@@](O)(O[O-])N=NC2=O	Nc1ccc2c(c1)[C@@]([O-])(O[O-])N=NC2=O	mol24840	Nc1ccc2c(c1)C(O)(OO)N=NC2=O