pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.2	AttenGpKa training set	0	-1	N=C(N)N[N+](=O)[O-]	[N-]=C(N)N[N+](=O)[O-],N=C(N)[N-][N+](=O)[O-]	mol20571	N=C(N)N[N+](=O)[O-]
0.32	AttenGpKa training set	1	0	NC(=[NH2+])N[N+](=O)[O-]	N=C(N)N[N+](=O)[O-]	mol20571	N=C(N)N[N+](=O)[O-]