[
  {
    "molid": "mol35262",
    "smiles": "NCCN1CCCCCCN(CCN)c2ccc(cc2)CCc2ccc1cc2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCCN1CCCCCCN(CCN)c2ccc(cc2)CCc2ccc1cc2",
        "std_free_energy": -0.23591026663780212,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NCCN1CCCCCCN(CC[NH3+])c2ccc(cc2)CCc2ccc1cc2",
        "std_free_energy": -7.528309345245361,
        "relative_population": 0.7722050452700505
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "NCCN1CCCCCC[NH+](CCN)c2ccc(cc2)CCc2ccc1cc2",
        "std_free_energy": -6.307505130767822,
        "relative_population": 0.22779495472994954
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.60000038146973,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]