[
  {
    "molid": "mol9712",
    "smiles": "Cc1nc2nc[nH]c2c(=S)[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc2nc[nH]c2c(=S)[nH]1",
        "std_free_energy": -6.101766109466553,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc2nc[n-]c2c(=S)[nH]1",
        "std_free_energy": -3.0542707443237305,
        "relative_population": 0.5013436046684143
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1nc2nc[nH]c2c(=S)[n-]1",
        "std_free_energy": -3.048896312713623,
        "relative_population": 0.4986563953315857
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]