[
  {
    "molid": "mol36775",
    "smiles": "[O-][N+](O)=C(c1ccccc1)C(O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-][N+](O)=C(c1ccccc1)[C@H](O)c1ccccc1",
        "std_free_energy": -4.770623207092285,
        "relative_population": 0.9999959546586675
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "[O-][N+]([O-])=C(c1ccccc1)[C@H](O)c1ccccc1",
        "std_free_energy": -7.978610515594482,
        "relative_population": 0.9999834452598392
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.84999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]