[
  {
    "molid": "mol15796",
    "smiles": "Nc1nc(=S)[nH]c(O)c1C1=CCCCC1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1nc(=S)[nH]c(O)c1C1=CCCCC1",
        "std_free_energy": -6.203496932983398,
        "relative_population": 0.999978602813617
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1nc(=S)[nH]c([O-])c1C1=CCCCC1",
        "std_free_energy": -3.0246713161468506,
        "relative_population": 0.5083880302789519
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Nc1nc(=S)[n-]c(O)c1C1=CCCCC1",
        "std_free_energy": -2.9911160469055176,
        "relative_population": 0.4916119697210482
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.11,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.1100001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]