pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.55	IUPAC digitized pKa	1	0	O=[N+]([O-])c1cccc2ccc[nH+]c12	O=[N+]([O-])c1cccc2cccnc12	mol4466	O=[N+]([O-])c1cccc2cccnc12
2.59	AttenGpKa training set	1	0	O=[N+]([O-])c1cccc2ccc[nH+]c12	O=[N+]([O-])c1cccc2cccnc12	mol4466	O=[N+]([O-])c1cccc2cccnc12