[
  {
    "molid": "mol10394",
    "smiles": "O=C(O)c1cccc(O)c(=O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1cccc(O)c(=O)c1",
        "std_free_energy": -1.6245841979980469,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1cccc(O)c(=O)c1",
        "std_free_energy": -8.874149322509766,
        "relative_population": 0.9923322642555187
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1cccc([O-])c(=O)c1",
        "std_free_energy": -4.319572925567627,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.42,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.03,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]