[
  {
    "molid": "mol19522",
    "smiles": "N=C(N)c1ccc(N)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(N)c1ccc(N)cc1",
        "std_free_energy": -0.2085951268672943,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NC(=[NH2+])c1ccc(N)cc1",
        "std_free_energy": -13.132922172546387,
        "relative_population": 0.9861813784234233
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 12.289999961853,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]