[
  {
    "molid": "mol38107",
    "smiles": "OC(CSc1ccc(Cl)cc1)(CSc1ccc(Cl)cc1)c1ccccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OC(CSc1ccc(Cl)cc1)(CSc1ccc(Cl)cc1)c1ccccn1",
        "std_free_energy": -6.657058238983154,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "OC(CSc1ccc(Cl)cc1)(CSc1ccc(Cl)cc1)c1cccc[nH+]1",
        "std_free_energy": -0.7744945287704468,
        "relative_population": 0.9680349950867778
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.16000008583069,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]