[
  {
    "molid": "mol21872",
    "smiles": "ON=NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "ON=NO",
        "std_free_energy": -6.306585788726807,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "ON=[NH+]O",
        "std_free_energy": 2.2250592708587646,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]N=NO",
        "std_free_energy": -3.9058351516723633,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 7.05,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 4.11,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]