[
  {
    "molid": "mol37545",
    "smiles": "O=C1C(Br)=CC(=Nc2ccc(O)cc2)C=C1Br",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C(Br)=CC(=Nc2ccc(O)cc2)C=C1Br",
        "std_free_energy": -6.577465534210205,
        "relative_population": 0.9999398842707419
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C(Br)=CC(=Nc2ccc([O-])cc2)C=C1Br",
        "std_free_energy": -2.0538172721862793,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.69999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]