[
  {
    "molid": "mol24512",
    "smiles": "O[N+]12CCN(CC1)CC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-][N+]12CCN(CC1)CC2",
        "std_free_energy": -7.806519508361816,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O[N+]12CCN(CC1)CC2",
        "std_free_energy": -3.1925790309906006,
        "relative_population": 0.6281212572701669
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[O-][N+]12CC[NH+](CC1)CC2",
        "std_free_energy": -2.6684136390686035,
        "relative_population": 0.37187874272983307
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.07,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]