[
  {
    "molid": "mol9854",
    "smiles": "O=c1cccc2[nH][se]nc1-2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1cccc2[nH][se]nc1-2",
        "std_free_energy": -6.684762954711914,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=c1cccc2[nH][se][nH+]c1-2",
        "std_free_energy": 4.6975016593933105,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.16,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]