pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8	AttenGpKa training set	1	0	Nc1c2ccccc2[nH+]c2c([N+](=O)[O-])cccc12,[NH3+]c1c2ccccc2nc2c([N+](=O)[O-])cccc12	Nc1c2ccccc2nc2c([N+](=O)[O-])cccc12	mol26689	Nc1c2ccccc2nc2c([N+](=O)[O-])cccc12