pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.41	AttenGpKa training set	0	-1	O=C(O)CCNc1ccccc1,O=C([O-])CC[NH2+]c1ccccc1	O=C([O-])CCNc1ccccc1	mol23295	O=C(O)CCNc1ccccc1