[
  {
    "molid": "mol37220",
    "smiles": "O=C(O)CC(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]",
        "std_free_energy": -9.420772552490234,
        "relative_population": 0.7537315263274649
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O",
        "std_free_energy": -8.302026748657227,
        "relative_population": 0.24623600227660178
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]",
        "std_free_energy": -12.489411354064941,
        "relative_population": 0.9998764335334288
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.61999988555908,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]