[
  {
    "molid": "mol34840",
    "smiles": "COc1cccc(NCS(=O)(=O)O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cccc([NH2+]CS(=O)(=O)[O-])c1",
        "std_free_energy": -1.4527971744537354,
        "relative_population": 0.08155493018652671
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1cccc(NCS(=O)(=O)O)c1",
        "std_free_energy": -3.8742024898529053,
        "relative_population": 0.9184450698134733
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cccc(NCS(=O)(=O)[O-])c1",
        "std_free_energy": -10.14276123046875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.600000023841858,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]