[
  {
    "molid": "mol17446",
    "smiles": "Oc1cc(CSc2cccc(F)c2F)nc2nc(Cc3ccccc3)nn12",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1cc(CSc2cccc(F)c2F)nc2nc(Cc3ccccc3)nn12",
        "std_free_energy": -5.8177080154418945,
        "relative_population": 0.9999951128284188
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cc(CSc2cccc(F)c2F)nc2nc(Cc3ccccc3)nn12",
        "std_free_energy": -3.1866061687469482,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]