[
  {
    "molid": "mol11210",
    "smiles": "O=C(O)COC(C(=O)O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CO[C@H](C(=O)O)c1ccccc1",
        "std_free_energy": -0.1604611575603485,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)CO[C@H](C(=O)[O-])c1ccccc1",
        "std_free_energy": -8.9791259765625,
        "relative_population": 0.6039158654143219
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])CO[C@H](C(=O)O)c1ccccc1",
        "std_free_energy": -8.557317733764648,
        "relative_population": 0.39608413458567826
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CO[C@H](C(=O)[O-])c1ccccc1",
        "std_free_energy": -13.41596794128418,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.87,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.39,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]