[
  {
    "molid": "mol21776",
    "smiles": "CC(Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)O",
        "std_free_energy": -2.916459083557129,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)[O-]",
        "std_free_energy": -10.148880004882812,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.43,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      }
    ]
  }
]