[
  {
    "molid": "mol38517",
    "smiles": "O=C(Cc1ccccn1)NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(Cc1ccccn1)NO",
        "std_free_energy": -7.161958694458008,
        "relative_population": 0.9976310648918542
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(Cc1ccccn1)[N-]O",
        "std_free_energy": -0.026997484266757965,
        "relative_population": 0.3137695398245038
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C(Cc1ccccn1)N[O-]",
        "std_free_energy": -0.8065623044967651,
        "relative_population": 0.6841817420370974
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]