[
  {
    "molid": "mol12484",
    "smiles": "[O-][N+]([O-])=C(CO)CO",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "[O-][CH-]C(CO)=[N+]([O-])[O-]",
        "std_free_energy": 3.671962261199951,
        "relative_population": 0.862609387868631
      },
      {
        "id": "-3_5",
        "charge": -3,
        "smiles": "[O-][N+]([O-])=C([CH-]O)[CH-]O",
        "std_free_energy": 5.832390308380127,
        "relative_population": 0.09943795881561589
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-][N+]([O-])=C([CH-]O)CO",
        "std_free_energy": 1.172522783279419,
        "relative_population": 0.9884200582909591
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.5,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "Datawarrior"
      }
    ]
  }
]