pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.85	AttenGpKa training set	0	-1	O=c1ccc([N+](=O)[O-])c[nH]1	O=c1ccc([N+](=O)[O-])c[n-]1	mol6463	O=c1ccc([N+](=O)[O-])c[nH]1
-3.15	AttenGpKa training set	1	0	""	O=c1ccc([N+](=O)[O-])c[nH]1	mol6463	O=c1ccc([N+](=O)[O-])c[nH]1