[
  {
    "molid": "mol8832",
    "smiles": "CN(N)c1cccc(Cl)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(N)c1cccc(Cl)c1",
        "std_free_energy": -5.725829124450684,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN([NH3+])c1cccc(Cl)c1",
        "std_free_energy": -1.854528546333313,
        "relative_population": 0.7002584216546731
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](N)c1cccc(Cl)c1",
        "std_free_energy": -1.0059998035430908,
        "relative_population": 0.29974157834532683
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.43,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.42999982833862,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]