[
  {
    "molid": "mol27440",
    "smiles": "CCOC(=O)C(C(C)O)[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)[C@@H]([C@@H](C)O)[N+](=O)[O-]",
        "std_free_energy": -6.923684120178223,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)[C-]([C@@H](C)O)[N+](=O)[O-]",
        "std_free_energy": -2.1855390071868896,
        "relative_population": 0.9999842174946147
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.52,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]