[
  {
    "molid": "mol35583",
    "smiles": "Cc1ccc(O)c(Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(O)c(Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1",
        "std_free_energy": -2.137012481689453,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(O)c(Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])c1",
        "std_free_energy": -6.34405517578125,
        "relative_population": 0.9744685772946783
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.84999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]