[
  {
    "molid": "mol9884",
    "smiles": "OC1NC(=S)Nc2nccnc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O[C@H]1NC(=S)Nc2nccnc21",
        "std_free_energy": -8.26380729675293,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O[C-]1NC(=S)Nc2nccnc21",
        "std_free_energy": -3.9252700805664062,
        "relative_population": 0.30976871224952285
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O[C@H]1NC(=S)[N-]c2nccnc21",
        "std_free_energy": -4.568659782409668,
        "relative_population": 0.5894651682782037
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "O[C@H]1[N-]C(=S)Nc2nccnc21",
        "std_free_energy": -2.7976925373077393,
        "relative_population": 0.10030829427747578
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.72,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]