[
  {
    "molid": "mol14160",
    "smiles": "ON=C(NO)c1ccccc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "ON=C(NO)c1ccccc1",
        "std_free_energy": -6.772794723510742,
        "relative_population": 0.9999955908398449
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "ONC(=[NH+]O)c1ccccc1",
        "std_free_energy": -0.6993491649627686,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]NC(=NO)c1ccccc1",
        "std_free_energy": 5.775439739227295,
        "relative_population": 0.09626070558102946
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]N=C(NO)c1ccccc1",
        "std_free_energy": 3.535959005355835,
        "relative_population": 0.9037392944189705
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.6999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.79999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]