[
  {
    "molid": "mol33603",
    "smiles": "c1ccc(N=Nc2ccccc2)cc1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(N=[NH+]c2ccccc2)cc1",
        "std_free_energy": 8.1748628616333,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "c1ccc([NH+]=[NH+]c2ccccc2)cc1",
        "std_free_energy": 14.037091255187988,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.78,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": -2.48000001907349,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]