[
  {
    "molid": "mol34116",
    "smiles": "CC1(Cl)C(=O)NC(=O)C1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@]1(Cl)C(=O)NC(=O)[C@@H]1Cl",
        "std_free_energy": -4.12672758102417,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@]1(Cl)C(=O)NC(=O)[C-]1Cl",
        "std_free_energy": -4.074304580688477,
        "relative_population": 0.5014817671312026
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@]1(Cl)C(=O)[N-]C(=O)[C@@H]1Cl",
        "std_free_energy": -4.068377494812012,
        "relative_population": 0.4985182328687974
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.84000015258789,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]