[
  {
    "molid": "mol1635",
    "smiles": "C1CC[C@@H]2CNCC[C@H]2C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C1CC[C@@H]2CNCC[C@H]2C1",
        "std_free_energy": 0.41111817955970764,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C1CC[C@@H]2C[NH2+]CC[C@H]2C1",
        "std_free_energy": -9.64802360534668,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.32,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]