[
  {
    "molid": "mol9180",
    "smiles": "Cc1n[nH]c(=S)[nH]c1=S",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1n[nH]c(=S)[nH]c1=S",
        "std_free_energy": -5.192929267883301,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1n[nH]c(=S)[n-]c1=S",
        "std_free_energy": -4.676928997039795,
        "relative_population": 0.3184156039312384
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1n[n-]c(=S)[nH]c1=S",
        "std_free_energy": -5.437991619110107,
        "relative_population": 0.6815843960687615
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]