[
  {
    "molid": "mol31027",
    "smiles": "CC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl",
        "std_free_energy": -3.727666139602661,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cc1c([O-])c(Cl)cc(Cl)c1Cl",
        "std_free_energy": -3.2163190841674805,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]