[
  {
    "molid": "mol34280",
    "smiles": "O=P(O)(O)CN1CCOCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P([O-])(O)C[NH+]1CCOCC1",
        "std_free_energy": -9.065420150756836,
        "relative_population": 0.9959387072843723
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=P(O)(O)C[NH+]1CCOCC1",
        "std_free_energy": 2.550550937652588,
        "relative_population": 0.870754530991545
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "OP(O)(=[OH+])CN1CCOCC1",
        "std_free_energy": 4.458197593688965,
        "relative_population": 0.12924546900845502
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.0900000333786,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]