[
  {
    "molid": "mol34705",
    "smiles": "CC(=O)CC(=S)Nc1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(=O)CC(=S)Nc1ccc(Cl)cc1",
        "std_free_energy": -4.589759349822998,
        "relative_population": 0.9999998050331533
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)[CH-]C(=S)Nc1ccc(Cl)cc1",
        "std_free_energy": -0.5988088250160217,
        "relative_population": 0.09838963310679694
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=O)CC(=S)[N-]c1ccc(Cl)cc1",
        "std_free_energy": -2.809866189956665,
        "relative_population": 0.897840835112745
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.43000030517578,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]