pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.1	AttenGpKa training set	1	0	COc1c([N+](=O)[O-])ccc2[nH]c[nH+]c12	COc1c([N+](=O)[O-])ccc2[nH]cnc12	mol26488	COc1c([N+](=O)[O-])ccc2[nH]cnc12