[
  {
    "molid": "mol36739",
    "smiles": "OC(=S)c1cccnc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-]C(=S)c1ccc[nH+]c1",
        "std_free_energy": -7.901366233825684,
        "relative_population": 0.9838710067415709
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]C(=S)c1cccnc1",
        "std_free_energy": -12.777069091796875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.76999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]