[
  {
    "molid": "mol37859",
    "smiles": "C[N+](C)(C)CCC(=O)NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[N+](C)(C)CCC(=O)[N-]O",
        "std_free_energy": -1.801409125328064,
        "relative_population": 0.26620432964149804
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[N+](C)(C)CCC(=O)N[O-]",
        "std_free_energy": -2.815375566482544,
        "relative_population": 0.733795670358502
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[N+](C)(C)CCC(=O)NO",
        "std_free_energy": -7.938204765319824,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]