[
  {
    "molid": "mol9101",
    "smiles": "O=c1cn[nH]c(=S)[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1cn[nH]c(=S)[nH]1",
        "std_free_energy": -4.750760078430176,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1cn[n-]c(=S)[nH]1",
        "std_free_energy": -6.022907733917236,
        "relative_population": 0.6003685618195939
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1cn[nH]c(=S)[n-]1",
        "std_free_energy": -5.615906715393066,
        "relative_population": 0.3996314381804062
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.98,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]