[
  {
    "molid": "mol33186",
    "smiles": "CNc1ccc(N=N)cc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNc1ccc(N=N)cc1C",
        "std_free_energy": -6.263820648193359,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH2+]c1ccc(N=N)cc1C",
        "std_free_energy": -1.632112979888916,
        "relative_population": 0.4983935113397725
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CNc1ccc(N=[NH2+])cc1C",
        "std_free_energy": -1.6385389566421509,
        "relative_population": 0.5016064886602275
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.94,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.94000005722046,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]