pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
16.09	AttenGpKa training set	-1	-2	COC(=O)[C@@H]1[C@H]2C[C@H]3c4[n-]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O	COC(=O)[C@@H]1[C@H]2C[C@H]3c4[n-]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1[O-]	mol5235	COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O