pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.3	Datawarrior	-1	-2	Cc1nc([N-][N+](=O)[O-])n[nH]1	Cc1nc([N-][N+](=O)[O-])n[n-]1	mol13091	Cc1nc([N-][N+](=O)[O-])n[nH]1
11.23	AttenGpKa training set	-1	-2	Cc1nc([N-][N+](=O)[O-])n[nH]1	Cc1nc([N-][N+](=O)[O-])n[n-]1	mol13091	Cc1nc([N-][N+](=O)[O-])n[nH]1
11.1	AttenGpKa training set	-1	-2	Cc1nc([N-][N+](=O)[O-])n[nH]1	Cc1nc([N-][N+](=O)[O-])n[n-]1	mol13091	Cc1nc([N-][N+](=O)[O-])n[nH]1