[
  {
    "molid": "mol4103",
    "smiles": "NC1=NCCCN1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC1=NCCCN1",
        "std_free_energy": 1.2431612014770508,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NC1=NCCC[N-]1",
        "std_free_energy": 8.068181991577148,
        "relative_population": 0.9878748850474016
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 14.11,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]