[
  {
    "molid": "mol14751",
    "smiles": "Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C(=O)O)cc1",
        "std_free_energy": -2.1402244567871094,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1",
        "std_free_energy": -10.867463111877441,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.84,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.8399999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.83999991416931,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]