[
  {
    "molid": "mol13923",
    "smiles": "CC(=NO)c1cc(C)c(C)cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=NO)c1cc(C)c(C)cc1O",
        "std_free_energy": -6.603024959564209,
        "relative_population": 0.9999780876843433
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=NO)c1cc(C)c(C)cc1[O-]",
        "std_free_energy": -1.3093324899673462,
        "relative_population": 0.9590219704853343
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.1999998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.19999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]