[
  {
    "molid": "mol24531",
    "smiles": "CC1CN2CC[N+]1(O)CC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1CN2CC[N+]1([O-])CC2",
        "std_free_energy": -7.679412364959717,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H]1C[NH+]2CC[N+]1([O-])CC2",
        "std_free_energy": -2.727581262588501,
        "relative_population": 0.37997826637602683
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@H]1CN2CC[N+]1(O)CC2",
        "std_free_energy": -3.217221736907959,
        "relative_population": 0.6200217336239733
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.18,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]