[
  {
    "molid": "mol34016",
    "smiles": "Cc1[nH]c(=O)[nH]c(=O)c1Br",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1[nH]c(=O)[nH]c(=O)c1Br",
        "std_free_energy": -5.32968807220459,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1[n-]c(=O)[nH]c(=O)c1Br",
        "std_free_energy": -2.7965428829193115,
        "relative_population": 0.5727129744617923
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1[nH]c(=O)[n-]c(=O)c1Br",
        "std_free_energy": -2.5036141872406006,
        "relative_population": 0.4272870255382078
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.59999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]