pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.46	AttenGpKa training set	0	-1	CC1=Nc2c(nc[nH]c2=O)N(C)[C@@]1(C)O	CC1=Nc2c(nc[n-]c2=O)N(C)[C@@]1(C)O,CC1=Nc2c(nc[nH]c2=O)N(C)[C@@]1(C)[O-]	mol26250	CC1=Nc2c(nc[nH]c2=O)N(C)C1(C)O