[
  {
    "molid": "mol31738",
    "smiles": "N#C[C@H](C(=O)O)C1CCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N#C[C@H](C(=O)O)C1CCCCC1",
        "std_free_energy": -2.0584189891815186,
        "relative_population": 0.9998055767802156
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N#C[C@H](C(=O)[O-])C1CCCCC1",
        "std_free_energy": -11.843976974487305,
        "relative_population": 0.9999998759683029
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.37,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]