[
  {
    "molid": "mol34755",
    "smiles": "CC(C)OP(=O)(C=NNc1ccc([N+](=O)[O-])cc1)OC(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)OP(=O)(C=NNc1ccc([N+](=O)[O-])cc1)OC(C)C",
        "std_free_energy": -6.082147598266602,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)OP(=O)(C=N[N-]c1ccc([N+](=O)[O-])cc1)OC(C)C",
        "std_free_energy": 2.6963438987731934,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.59000015258789,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]