[
  {
    "molid": "mol8808",
    "smiles": "Cc1cc(NN)ccc1Br",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(NN)ccc1Br",
        "std_free_energy": -5.491147994995117,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc([NH2+]N)ccc1Br",
        "std_free_energy": -0.5152997970581055,
        "relative_population": 0.41209357318982853
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(N[NH3+])ccc1Br",
        "std_free_energy": -0.870617151260376,
        "relative_population": 0.5879064268101715
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.19999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]