[
  {
    "molid": "mol8839",
    "smiles": "NNc1cc(Cl)ccc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NNc1cc(Cl)ccc1Cl",
        "std_free_energy": -6.057565689086914,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]Nc1cc(Cl)ccc1Cl",
        "std_free_energy": 0.017577260732650757,
        "relative_population": 0.7233167634065298
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "N[NH2+]c1cc(Cl)ccc1Cl",
        "std_free_energy": 0.9785512089729309,
        "relative_population": 0.27668323659347027
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.44,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.44000005722046,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]