[
  {
    "molid": "mol36856",
    "smiles": "C[N+](C)(CC(=O)NO)Cc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[N+](C)(CC(=O)[N-]O)Cc1ccccc1",
        "std_free_energy": -1.745550274848938,
        "relative_population": 0.19501840990392716
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[N+](C)(CC(=O)N[O-])Cc1ccccc1",
        "std_free_energy": -3.163275718688965,
        "relative_population": 0.8049815900960728
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[N+](C)(CC(=O)NO)Cc1ccccc1",
        "std_free_energy": -6.053657531738281,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.69999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]