[
  {
    "molid": "mol31872",
    "smiles": "O=C(NBr)C(Cl)Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NBr)C(Cl)Cl",
        "std_free_energy": -4.2003021240234375,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(NBr)[C-](Cl)Cl",
        "std_free_energy": -1.3172261714935303,
        "relative_population": 0.06778574120723299
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([N-]Br)C(Cl)Cl",
        "std_free_energy": -3.938436985015869,
        "relative_population": 0.932214258792767
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.68,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]