[
  {
    "molid": "mol36772",
    "smiles": "[O-][N+](O)=C(c1ccc(Br)cc1)C(O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-][N+](O)=C(c1ccc(Br)cc1)[C@@H](O)c1ccccc1",
        "std_free_energy": -4.6109442710876465,
        "relative_population": 0.9999985876966515
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "[O-][N+]([O-])=C(c1ccc(Br)cc1)[C@@H](O)c1ccccc1",
        "std_free_energy": -7.419870853424072,
        "relative_population": 0.9999926721454464
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.71999979019165,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]