[
  {
    "molid": "mol31713",
    "smiles": "C[C@H](C(=O)O)[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](C(=O)O)[N+](=O)[O-]",
        "std_free_energy": -1.6695494651794434,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H](C(=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -11.925760269165039,
        "relative_population": 0.9983796276917257
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.79,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]