[
  {
    "molid": "mol7013",
    "smiles": "Nc1ncc(Cl)cn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ncc(Cl)cn1",
        "std_free_energy": -7.98104190826416,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1ncc(Cl)c[nH+]1",
        "std_free_energy": 1.2099626064300537,
        "relative_population": 0.46252215172663425
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1ncc(Cl)cn1",
        "std_free_energy": 1.0597695112228394,
        "relative_population": 0.5374778482733658
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.73,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 1.73000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]