[
  {
    "molid": "mol35905",
    "smiles": "CCOc1ccc(NC(=N)NC(=N)N)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOc1ccc(NC(=N)NC(=N)N)cc1",
        "std_free_energy": -0.7683992385864258,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOc1ccc(NC(=N)NC(N)=[NH2+])cc1",
        "std_free_energy": -9.845046043395996,
        "relative_population": 0.5060328893565139
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOc1ccc(NC(=[NH2+])NC(=N)N)cc1",
        "std_free_energy": -9.820913314819336,
        "relative_population": 0.4939671106434862
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8199996948242,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]