[
  {
    "molid": "mol4306",
    "smiles": "CCCn1nnnc1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCn1nnnc1N",
        "std_free_energy": -6.6438069343566895,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCn1nnnc1[NH3+]",
        "std_free_energy": 5.162972450256348,
        "relative_population": 0.5400075312200359
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCn1[nH+]nnc1N",
        "std_free_energy": 6.851655006408691,
        "relative_population": 0.09977329177460019
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CCCn1nn[nH+]c1N",
        "std_free_energy": 5.951606273651123,
        "relative_population": 0.2454146583008128
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "CCCn1n[nH+]nc1N",
        "std_free_energy": 6.711324691772461,
        "relative_population": 0.11480451870455106
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 1.79999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]