[
  {
    "molid": "mol36032",
    "smiles": "O=C(CCl)NBr",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(CCl)NBr",
        "std_free_energy": -5.058438777923584,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(CCl)[N-]Br",
        "std_free_energy": -3.091794967651367,
        "relative_population": 0.9993735521136117
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.30000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]