[
  {
    "molid": "mol32124",
    "smiles": "CC(C)(C)c1cc(/C=C/c2n[nH]c(S)n2)cc(C(C)(C)C)c1O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CC(C)(C)c1cc(/C=C/c2n[nH]c(S)n2)cc(C(C)(C)C)c1O",
        "std_free_energy": -6.506900787353516,
        "relative_population": 0.9999985443327557
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(/C=C/c2n[nH]c(S)n2)cc(C(C)(C)C)c1[O-]",
        "std_free_energy": 0.2769172787666321,
        "relative_population": 0.09723683391914381
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(/C=C/c2n[nH]c([S-])n2)cc(C(C)(C)C)c1O",
        "std_free_energy": -1.7523876428604126,
        "relative_population": 0.7398552145899265
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(/C=C/c2n[n-]c(S)n2)cc(C(C)(C)C)c1O",
        "std_free_energy": -0.23903888463974,
        "relative_population": 0.16289498882785064
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]