[
  {
    "molid": "mol21026",
    "smiles": "Nc1noc(C2CNCCN2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1noc([C@H]2CNCCN2)n1",
        "std_free_energy": -4.245115280151367,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1noc([C@H]2CNCC[NH2+]2)n1",
        "std_free_energy": -7.127959251403809,
        "relative_population": 0.1744711489567
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "Nc1noc([C@H]2C[NH2+]CCN2)n1",
        "std_free_energy": -8.61575698852539,
        "relative_population": 0.7724421580075963
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]