[
  {
    "molid": "mol2926",
    "smiles": "Cc1nc(-n2ccc(O)cc2=O)sc1C(=O)NCc1ccccc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1nc(-n2ccc(O)cc2=O)sc1C(=O)NCc1ccccc1",
        "std_free_energy": -5.412918567657471,
        "relative_population": 0.9999959659428956
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc(-n2ccc([O-])cc2=O)sc1C(=O)NCc1ccccc1",
        "std_free_energy": -4.186629295349121,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]