[
  {
    "molid": "mol35078",
    "smiles": "NC(COP(=O)(O)Oc1ccccc1)C(=O)NCC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+][C@@H](CO[P@](=O)([O-])Oc1ccccc1)C(=O)NCC(=O)O",
        "std_free_energy": -7.32405948638916,
        "relative_population": 0.6924363003161041
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[NH3+][C@@H](CO[P@](=O)(O)Oc1ccccc1)C(=O)NCC(=O)[O-]",
        "std_free_energy": -6.5105881690979,
        "relative_population": 0.30696843706427557
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[NH3+][C@@H](CO[P@](=O)([O-])Oc1ccccc1)C(=O)NCC(=O)[O-]",
        "std_free_energy": -13.179579734802246,
        "relative_population": 0.9671974828472066
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.1800000667572,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]