[
  {
    "molid": "mol24471",
    "smiles": "CCC(N)C(N)CC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@@H](N)[C@@H](N)CC",
        "std_free_energy": -0.9383922815322876,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[C@@H]([NH3+])[C@@H](N)CC",
        "std_free_energy": -8.188072204589844,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.08,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]