[
  {
    "molid": "mol6639",
    "smiles": "CSC(=O)c1ncn(C)c1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CSC(=O)c1ncn(C)c1N",
        "std_free_energy": -6.1396684646606445,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CSC(=O)c1ncn(C)c1[NH3+]",
        "std_free_energy": 0.6097475290298462,
        "relative_population": 0.22429491489566925
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CSC(=O)c1[nH+]cn(C)c1N",
        "std_free_energy": -0.6310631036758423,
        "relative_population": 0.7757050851043309
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.08,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]