[
  {
    "molid": "mol24713",
    "smiles": "NN1CCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NN1CCCCC1",
        "std_free_energy": -3.437703847885132,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]N1CCCCC1",
        "std_free_energy": -5.162830829620361,
        "relative_population": 0.4065732903065658
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "N[NH+]1CCCCC1",
        "std_free_energy": -5.540980339050293,
        "relative_population": 0.5934267096934341
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.51,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]