[
  {
    "molid": "mol32828",
    "smiles": "CC1(N)CC1(C)N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@]1(N)C[C@@]1(C)N",
        "std_free_energy": -2.296316146850586,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@]1(N)C[C@@]1(C)[NH3+]",
        "std_free_energy": -8.250298500061035,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.0299997,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]