pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	AttenGpKa training set	1	0	C[C@@H]1C[NH2+]C[C@@H](C)O1	C[C@@H]1CNC[C@@H](C)O1	mol24501	CC1CNCC(C)O1