[
  {
    "molid": "mol35122",
    "smiles": "C[N+](C)(C)CCOP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[N+](C)(C)CCOP(=O)([O-])O",
        "std_free_energy": -11.058349609375,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[N+](C)(C)CCOP(=O)(O)O",
        "std_free_energy": -0.094888836145401,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.97000002861023,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]