pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.25	AttenGpKa training set	1	0	CCN(Cc1ccncc1)C(=[OH+])[C@H](CO)c1ccccc1,CCN(Cc1cc[nH+]cc1)C(=O)[C@H](CO)c1ccccc1	CCN(Cc1ccncc1)C(=O)[C@H](CO)c1ccccc1	mol29753	CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1