pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-9.06	AttenGpKa training set	2	1	Cn1n[nH+]c([N+](=O)[O-])[nH+]1,Cn1[nH+]nc([N+](=O)[O-])[nH+]1,Cn1nc([N+](=O)[O-])[nH+][nH+]1	Cn1n[nH+]c([N+](=O)[O-])n1,Cn1nnc([N+](=O)[O-])[nH+]1,Cn1nc([N+](=O)[O-])n[nH+]1	mol25323	Cn1nnc([N+](=O)[O-])n1