pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.14	IUPAC digitized pKa	1	0	Cc1ccn(-c2ccc([N+](=O)[O-])cc2)[nH+]1	Cc1ccn(-c2ccc([N+](=O)[O-])cc2)n1	mol6913	Cc1ccn(-c2ccc([N+](=O)[O-])cc2)n1
0.13	AttenGpKa training set	1	0	Cc1ccn(-c2ccc([N+](=O)[O-])cc2)[nH+]1	Cc1ccn(-c2ccc([N+](=O)[O-])cc2)n1	mol6913	Cc1ccn(-c2ccc([N+](=O)[O-])cc2)n1