[
  {
    "molid": "mol25284",
    "smiles": "Cc1nnc(N)s1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nnc(N)s1",
        "std_free_energy": -7.032038688659668,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH+]nc(N)s1",
        "std_free_energy": 1.35399329662323,
        "relative_population": 0.34709692207708404
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1nnc([NH3+])s1",
        "std_free_energy": 1.5124996900558472,
        "relative_population": 0.296218590102086
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1n[nH+]c(N)s1",
        "std_free_energy": 1.3267457485198975,
        "relative_population": 0.35668448782082984
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.56,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]