[
  {
    "molid": "mol25765",
    "smiles": "Cn1c(N)cc(=O)[nH]c1=S",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1c(N)cc(=O)[nH]c1=S",
        "std_free_energy": -7.0827813148498535,
        "relative_population": 0.999999815930669
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cn1c(N)cc(=O)[n-]c1=S",
        "std_free_energy": -1.0658763647079468,
        "relative_population": 0.9966814333575499
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.84,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]