pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.15	AttenGpKa training set	1	0	CO[C@H]1NC=[NH+]c2cc([N+](=O)[O-])ccc21	CO[C@H]1NC=Nc2cc([N+](=O)[O-])ccc21	mol26275	COC1NC=Nc2cc([N+](=O)[O-])ccc21