[
  {
    "molid": "mol32130",
    "smiles": "CC(C)(C)c1cc(-c2nnc(S)n2N)cc(C(C)(C)C)c1O",
    "microspecies": [
      {
        "id": "0_6",
        "charge": 0,
        "smiles": "CC(C)(C)c1cc(-c2nnc(S)n2N)cc(C(C)(C)C)c1O",
        "std_free_energy": -6.342590808868408,
        "relative_population": 0.9999906744034517
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(-c2nnc(S)n2N)cc(C(C)(C)C)c1[O-]",
        "std_free_energy": -1.1236803531646729,
        "relative_population": 0.26588507904333764
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(-c2nnc([S-])n2N)cc(C(C)(C)C)c1O",
        "std_free_energy": -2.09213924407959,
        "relative_population": 0.7003099849556174
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]