[
  {
    "molid": "mol36595",
    "smiles": "NC(CCC(=O)O)P(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@@H](CCC(=O)O)P(=O)([O-])O",
        "std_free_energy": -7.87925910949707,
        "relative_population": 0.9760508185769434
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH3+][C@@H](CCC(=O)[O-])P(=O)([O-])O",
        "std_free_energy": -12.600253105163574,
        "relative_population": 0.7807299888889981
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "[NH3+][C@@H](CCC(=O)O)P(=O)([O-])[O-]",
        "std_free_energy": -11.321202278137207,
        "relative_population": 0.21727819523903982
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.09999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]