[
  {
    "molid": "mol37223",
    "smiles": "O=C(O)CCC(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O",
        "std_free_energy": -0.4662773311138153,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)[O-]",
        "std_free_energy": -9.347990989685059,
        "relative_population": 0.8600981767564158
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O",
        "std_free_energy": -7.531692028045654,
        "relative_population": 0.13987477808562152
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.69000005722046,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]