pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	AttenGpKa training set	1	0	C1CC2(CC[NH2+]1)OCCO2	C1CC2(CCN1)OCCO2	mol24530	C1CC2(CCN1)OCCO2