[
  {
    "molid": "mol33928",
    "smiles": "O=c1cc(CCl)[nH]c(=O)[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1cc(CCl)[nH]c(=O)[nH]1",
        "std_free_energy": -5.690200328826904,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1cc(CCl)[n-]c(=O)[nH]1",
        "std_free_energy": -3.036994218826294,
        "relative_population": 0.2919930026258176
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1cc([CH-]Cl)[nH]c(=O)[nH]1",
        "std_free_energy": -3.8114137649536133,
        "relative_population": 0.6334299291064553
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=c1cc(CCl)[nH]c(=O)[n-]1",
        "std_free_energy": -1.6720974445343018,
        "relative_population": 0.0745770682677269
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.47999954223633,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.47500038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]