[
  {
    "molid": "mol36827",
    "smiles": "CC(CC[N+](C)(C)Cc1ccccc1)=NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(CC[N+](C)(C)Cc1ccccc1)=N[O-]",
        "std_free_energy": -2.12945294380188,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(CC[N+](C)(C)Cc1ccccc1)=NO",
        "std_free_energy": -8.190821647644043,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.6599998474121,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.7299995422363,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]