[
  {
    "molid": "mol13815",
    "smiles": "CN1[C@H]2CC[C@@H]1[C@H](C(=O)O)[C@H](O)C2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH+]1[C@H]2CC[C@@H]1[C@H](C(=O)[O-])[C@H](O)C2",
        "std_free_energy": -12.91153335571289,
        "relative_population": 0.9999914202251232
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN1[C@H]2CC[C@@H]1[C@H](C(=O)[O-])[C@H](O)C2",
        "std_free_energy": -3.170408248901367,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.11,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]