pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.17	AttenGpKa training set	1	0	COc1[nH+]c2cc([N+](=O)[O-])ccc2n1C	COc1nc2cc([N+](=O)[O-])ccc2n1C	mol26512	COc1nc2cc([N+](=O)[O-])ccc2n1C