[
  {
    "molid": "mol14748",
    "smiles": "Cc1cc(Cc2cc([N+](=O)[O-])ccc2O)cc(C)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(Cc2cc([N+](=O)[O-])ccc2O)cc(C)c1O",
        "std_free_energy": -4.86094856262207,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(Cc2cc([N+](=O)[O-])ccc2O)cc(C)c1[O-]",
        "std_free_energy": -1.434716820716858,
        "relative_population": 0.13493709924971933
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(Cc2cc([N+](=O)[O-])ccc2[O-])cc(C)c1O",
        "std_free_energy": -3.292710304260254,
        "relative_population": 0.8650629007502807
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cc(Cc2cc([N+](=O)[O-])ccc2[O-])cc(C)c1[O-]",
        "std_free_energy": 6.907070636749268,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.12,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.1199999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.11999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.87,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]