[
  {
    "molid": "mol7338",
    "smiles": "Cn1cnc(O)cc1=S",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1cnc(O)cc1=S",
        "std_free_energy": -5.413142681121826,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1cnc([O-])cc1=S",
        "std_free_energy": -4.75303840637207,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.38,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]