[
  {
    "molid": "mol24633",
    "smiles": "CCOC1=NOC2(C1)CN1CCC2CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC1=NO[C@@]2(C1)CN1CCC2CC1",
        "std_free_energy": -3.743682861328125,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOC1=NO[C@@]2(C1)C[NH+]1CCC2CC1",
        "std_free_energy": -7.982897758483887,
        "relative_population": 0.9884543843870197
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.56,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]