pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.89	AttenGpKa training set	1	0	CCc1c(C)[nH]c2c1C(=O)[C@@H](C[NH+]1CCOCC1)CC2	CCc1c(C)[nH]c2c1C(=O)[C@@H](CN1CCOCC1)CC2	mol29732	CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2