pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.09	Baltruschat ChEMBL	1	0	O=C(O[C@@H]1C[C@@H]2[NH2+][C@H](C1)[C@@H]1O[C@@H]12)[C@H](CO)c1ccccc1	O=C(O[C@@H]1C[C@@H]2N[C@H](C1)[C@@H]1O[C@@H]12)[C@H](CO)c1ccccc1	mol18931	O=C(O[C@@H]1C[C@@H]2N[C@H](C1)[C@@H]1O[C@@H]12)[C@H](CO)c1ccccc1