pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	AttenGpKa training set	1	0	COc1ccc2[nH]c(C)[nH+]c2c1[N+](=O)[O-]	COc1ccc2[nH]c(C)nc2c1[N+](=O)[O-]	mol26511	COc1ccc2[nH]c(C)nc2c1[N+](=O)[O-]