[
  {
    "molid": "mol11554",
    "smiles": "O=C(NO)c1cc2ccccc2cc1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(N[O-])c1cc2ccccc2cc1O",
        "std_free_energy": -2.030848979949951,
        "relative_population": 0.388126785368551
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(NO)c1cc2ccccc2cc1[O-]",
        "std_free_energy": -2.486042022705078,
        "relative_population": 0.611873214631449
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C(N[O-])c1cc2ccccc2cc1[O-]",
        "std_free_energy": 8.350446701049805,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.5,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]