[
  {
    "molid": "mol14750",
    "smiles": "Cc1ccc(O)c(Cc2cc(C)cc([N+](=O)[O-])c2O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(O)c(Cc2cc(C)cc([N+](=O)[O-])c2O)c1",
        "std_free_energy": -4.809593200683594,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(O)c(Cc2cc(C)cc([N+](=O)[O-])c2[O-])c1",
        "std_free_energy": -4.030345916748047,
        "relative_population": 0.8004904621631956
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc([O-])c(Cc2cc(C)cc([N+](=O)[O-])c2O)c1",
        "std_free_energy": -2.6409833431243896,
        "relative_population": 0.19950953783680442
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1ccc([O-])c(Cc2cc(C)cc([N+](=O)[O-])c2[O-])c1",
        "std_free_energy": 7.8070969581604,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.87,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.8699999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 6.86999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 11.69,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]