[
  {
    "molid": "mol24491",
    "smiles": "CCC1CC=CN1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@@H]1CC=CN1",
        "std_free_energy": -0.6432352662086487,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[C@@H]1CC=C[NH2+]1",
        "std_free_energy": -9.44389533996582,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.43,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]