[
  {
    "molid": "mol37042",
    "smiles": "O=C(CC[n+]1ccc(C=NO)cc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C(CC[n+]1ccc(C=N[O-])cc1)c1ccccc1",
        "std_free_energy": -2.7358932495117188,
        "relative_population": 0.9991405039753334
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(CC[n+]1ccc(C=NO)cc1)c1ccccc1",
        "std_free_energy": -5.772618770599365,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.69999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]