[
  {
    "molid": "mol25705",
    "smiles": "C[n+]1ccncc1S",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[n+]1ccncc1[S-]",
        "std_free_energy": -6.767066955566406,
        "relative_population": 0.9999974294484013
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1cc[nH+]cc1[S-]",
        "std_free_energy": 9.30591869354248,
        "relative_population": 0.46427269433612567
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[n+]1ccncc1S",
        "std_free_energy": 9.162765502929688,
        "relative_population": 0.5357273056638743
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.315,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]