pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	AttenGpKa training set	-1	-2	O=C([O-])[C@@H]1[C@H](C(=O)NO)[C@H]2CC[C@@H]1O2	O=C([O-])[C@@H]1[C@H](C(=O)[N-]O)[C@H]2CC[C@@H]1O2,O=C([O-])[C@@H]1[C@H](C(=O)N[O-])[C@H]2CC[C@@H]1O2	mol31438	O=C(NO)[C@@H]1C2CCC(O2)[C@@H]1C(=O)O