pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.27	AttenGpKa training set	-1	-2	O=[N+]([O-])c1n[n-]c(-c2nc([N+](=O)[O-])n[nH]2)n1	O=[N+]([O-])c1n[n-]c(-c2nc([N+](=O)[O-])n[n-]2)n1	mol25543	O=[N+]([O-])c1n[nH]c(-c2nc([N+](=O)[O-])n[nH]2)n1
5.29	AttenGpKa training set	-1	-2	O=[N+]([O-])c1n[n-]c(-c2nc([N+](=O)[O-])n[nH]2)n1	O=[N+]([O-])c1n[n-]c(-c2nc([N+](=O)[O-])n[n-]2)n1	mol25543	O=[N+]([O-])c1n[nH]c(-c2nc([N+](=O)[O-])n[nH]2)n1