[
  {
    "molid": "mol37726",
    "smiles": "CC(C)C[C@H](NC(=O)[C@@H](N)COP(=O)(O)Oc1ccccc1)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CO[P@](=O)(O)Oc1ccccc1)C(=O)[O-]",
        "std_free_energy": -7.005002975463867,
        "relative_population": 0.47432867967959097
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CO[P@](=O)([O-])Oc1ccccc1)C(=O)O",
        "std_free_energy": -7.106108665466309,
        "relative_population": 0.5247942014174743
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CO[P@](=O)([O-])Oc1ccccc1)C(=O)[O-]",
        "std_free_energy": -12.795260429382324,
        "relative_population": 0.9585357017797257
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.16000008583069,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]