[
  {
    "molid": "mol22883",
    "smiles": "O=C(O)c1ccc(O)c2c(O)cccc12",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1ccc(O)c2c(O)cccc12",
        "std_free_energy": -7.844010353088379,
        "relative_population": 0.9707078833869132
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([O-])c1ccc([O-])c2c(O)cccc12",
        "std_free_energy": -5.345127582550049,
        "relative_population": 0.6675090106734168
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C([O-])c1ccc(O)c2c([O-])cccc12",
        "std_free_energy": -4.64816951751709,
        "relative_population": 0.3324850259305714
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.6,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 8.2,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]