[
  {
    "molid": "mol33215",
    "smiles": "CCN(CC)C(=N)NC(=N)N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN(CC)C(=N)NC(=N)N",
        "std_free_energy": 0.47470182180404663,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCN(CC)C(=N)NC(N)=[NH2+]",
        "std_free_energy": -10.342140197753906,
        "relative_population": 0.6253911879164449
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCN(CC)C(=[NH2+])NC(=N)N",
        "std_free_energy": -9.829645156860352,
        "relative_population": 0.374608812083555
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.66,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]