[
  {
    "molid": "mol11349",
    "smiles": "O=C(Cc1c[nH]c2ccccc12)NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(Cc1c[nH]c2ccccc12)NO",
        "std_free_energy": -7.532612323760986,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(Cc1c[nH]c2ccccc12)N[O-]",
        "std_free_energy": -0.7716612219810486,
        "relative_population": 0.9997009906013673
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.58,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]