pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.4	IUPAC digitized pKa	1	0	O=[N+]([O-])c1ccc2ccc[nH+]c2c1	O=[N+]([O-])c1ccc2cccnc2c1	mol4465	O=[N+]([O-])c1ccc2cccnc2c1
2.44	AttenGpKa training set	1	0	O=[N+]([O-])c1ccc2ccc[nH+]c2c1	O=[N+]([O-])c1ccc2cccnc2c1	mol4465	O=[N+]([O-])c1ccc2cccnc2c1