[
  {
    "molid": "mol32829",
    "smiles": "CCN(CC)C1CCCC1N(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN(CC)[C@H]1CCC[C@@H]1N(C)C",
        "std_free_energy": -0.8576087355613708,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCN(CC)[C@H]1CCC[C@@H]1[NH+](C)C",
        "std_free_energy": -7.642005920410156,
        "relative_population": 0.3285437391612945
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC[NH+](CC)[C@H]1CCC[C@@H]1N(C)C",
        "std_free_energy": -8.35678482055664,
        "relative_population": 0.6714562608387056
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.9099998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]