[
  {
    "molid": "mol23274",
    "smiles": "O=C(O)Cc1cccc(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)Cc1cccc(O)c1",
        "std_free_energy": -4.257477760314941,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])Cc1cccc(O)c1",
        "std_free_energy": -9.38740348815918,
        "relative_population": 0.9998903394990665
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])Cc1cccc([O-])c1",
        "std_free_energy": -0.46938854455947876,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.28,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 9.98,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]