[
  {
    "molid": "mol7971",
    "smiles": "Clc1nccc2[nH]cnc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Clc1nccc2[nH]cnc12",
        "std_free_energy": -7.0435309410095215,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Clc1nccc2[nH]c[nH+]c12",
        "std_free_energy": 1.9767513275146484,
        "relative_population": 0.6238014654068526
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Clc1[nH+]ccc2[nH]cnc12",
        "std_free_energy": 2.482466459274292,
        "relative_population": 0.37619853459314745
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Clc1nccc2[n-]cnc12",
        "std_free_energy": 0.188166081905365,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.83,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]