pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.02	AttenGpKa training set	1	0	Nc1ccc[nH+]c1[N+](=O)[O-],[NH3+]c1cccnc1[N+](=O)[O-]	Nc1cccnc1[N+](=O)[O-]	mol25065	Nc1cccnc1[N+](=O)[O-]
-9.07	AttenGpKa training set	2	1	[NH3+]c1ccc[nH+]c1[N+](=O)[O-]	Nc1ccc[nH+]c1[N+](=O)[O-],[NH3+]c1cccnc1[N+](=O)[O-]	mol25065	Nc1cccnc1[N+](=O)[O-]