[
  {
    "molid": "mol956",
    "smiles": "C[C@H]1CCC[C@@H](O)[C@@H]1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1CCC[C@@H](O)[C@@H]1N",
        "std_free_energy": -2.3500962257385254,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H]1CCC[C@@H](O)[C@@H]1[NH3+]",
        "std_free_energy": -9.17112922668457,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.39,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]