[
  {
    "molid": "mol36573",
    "smiles": "COC(=O)C(N)COP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)[C@@H]([NH3+])COP(=O)([O-])O",
        "std_free_energy": -8.771024703979492,
        "relative_population": 0.9998344257780952
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)[C@@H](N)COP(=O)([O-])O",
        "std_free_energy": -10.403950691223145,
        "relative_population": 0.08075677584732661
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COC(=O)[C@@H]([NH3+])COP(=O)([O-])[O-]",
        "std_free_energy": -12.8360595703125,
        "relative_population": 0.9192432241526733
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.32999992370606,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]