[
  {
    "molid": "mol13503",
    "smiles": "O=C(O)CC(=O)/C=N/O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)CC(=O)/C=N/O",
        "std_free_energy": -2.3019821643829346,
        "relative_population": 0.9997416824031666
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])CC(=O)/C=N/O",
        "std_free_energy": -9.432392120361328,
        "relative_population": 0.9983898864031726
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CC(=O)/C=N/[O-]",
        "std_free_energy": -3.941876173019409,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.7,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]