[
  {
    "molid": "mol35237",
    "smiles": "NCC(=O)NC(COP(=O)(O)Oc1ccccc1)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]CC(=O)N[C@@H](CO[P@](=O)([O-])Oc1ccccc1)C(=O)O",
        "std_free_energy": -6.86130952835083,
        "relative_population": 0.3229999047206844
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[NH3+]CC(=O)N[C@@H](CO[P@](=O)(O)Oc1ccccc1)C(=O)[O-]",
        "std_free_energy": -7.600951194763184,
        "relative_population": 0.6767444277704717
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[NH3+]CC(=O)N[C@@H](CO[P@](=O)([O-])Oc1ccccc1)C(=O)[O-]",
        "std_free_energy": -13.165397644042969,
        "relative_population": 0.9853905693875609
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.96000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]