[
  {
    "molid": "mol37097",
    "smiles": "Cc1c(O)c(/C=N\\[C@@H](Cc2ccccc2)C(=O)[O-])c(CO)c[n+]1C",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1c(O)c(/C=N\\[C@@H](Cc2ccccc2)C(=O)[O-])c(CO)c[n+]1C",
        "std_free_energy": -8.826519966125488,
        "relative_population": 0.9394761010248212
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1c([O-])c(/C=[NH+]\\[C@@H](Cc2ccccc2)C(=O)[O-])c(CO)c[n+]1C",
        "std_free_energy": -5.899502754211426,
        "relative_population": 0.050315096869454255
      },
      {
        "id": "-1_6",
        "charge": -1,
        "smiles": "Cc1c([O-])c(/C=N\\[C@@H](Cc2ccccc2)C(=O)[O-])c(CO)c[n+]1C",
        "std_free_energy": -4.335638523101807,
        "relative_population": 0.9942613976664422
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]