[
  {
    "molid": "mol13166",
    "smiles": "Nc1nsc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1nsc2ccccc12",
        "std_free_energy": -7.082659721374512,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1[nH+]sc2ccccc12",
        "std_free_energy": 2.710982322692871,
        "relative_population": 0.6158590796319817
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1nsc2ccccc12",
        "std_free_energy": 3.1829910278320312,
        "relative_population": 0.3841409203680183
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.45,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.45000004768372,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]