[
  {
    "molid": "mol9979",
    "smiles": "O=C1C[C@@H](C(=O)O)[C@H](C(=O)O)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C[C@@H](C(=O)O)[C@H](C(=O)O)C1",
        "std_free_energy": 0.6350570917129517,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C[C@@H](C(=O)[O-])[C@H](C(=O)O)C1",
        "std_free_energy": -8.050496101379395,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1C[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1",
        "std_free_energy": -12.637941360473633,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.59,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.34,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]