[
  {
    "molid": "mol34599",
    "smiles": "C1CNCCOCCNCCN1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C1CNCCOCCNCCN1",
        "std_free_energy": 0.046337395906448364,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C1C[NH2+]CCNCCOCCN1",
        "std_free_energy": -8.436197280883789,
        "relative_population": 0.6066350080840831
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C1CNCCOCC[NH2+]CCN1",
        "std_free_energy": -8.003007888793945,
        "relative_population": 0.3933649919159169
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C1C[NH2+]CCOCC[NH2+]CCN1",
        "std_free_energy": -10.166731834411621,
        "relative_population": 0.8538402872587539
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "C1C[NH2+]CC[NH2+]CCOCCN1",
        "std_free_energy": -8.401687622070312,
        "relative_population": 0.14615971274124606
      },
      {
        "id": "3_1",
        "charge": 3,
        "smiles": "C1C[NH2+]CCOCC[NH2+]CC[NH2+]1",
        "std_free_energy": -6.846584796905518,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1099996566772,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 1.55999994277954,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]