[
  {
    "molid": "mol15869",
    "smiles": "CC(=NO)NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=NO)NO",
        "std_free_energy": -5.602976322174072,
        "relative_population": 0.9989366521485906
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(NO)=[NH+]O",
        "std_free_energy": -2.4122915267944336,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=NO)N[O-]",
        "std_free_energy": 6.437892913818359,
        "relative_population": 0.12950235992092243
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=N[O-])NO",
        "std_free_energy": 4.532526969909668,
        "relative_population": 0.8704976400790776
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.75,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.95,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.9499998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.94999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]