[
  {
    "molid": "mol7921",
    "smiles": "CSc1nc(C)c2ccccc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CSc1nc(C)c2ccccc2n1",
        "std_free_energy": -7.403475761413574,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CSc1nc(C)c2ccccc2[nH+]1",
        "std_free_energy": 3.825364589691162,
        "relative_population": 0.5492215606929255
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CSc1nc2ccccc2c(C)[nH+]1",
        "std_free_energy": 4.022890567779541,
        "relative_population": 0.4507784393070745
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.85,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]