[
  {
    "molid": "mol13094",
    "smiles": "C1CNCCNCCNC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C1CNCCNCCNC1",
        "std_free_energy": 1.9855709075927734,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C1CNCC[NH2+]CCNC1",
        "std_free_energy": -9.071220397949219,
        "relative_population": 0.413139060512485
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C1CNCCNCC[NH2+]C1",
        "std_free_energy": -9.422224044799805,
        "relative_population": 0.5868609394875149
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C1CNCC[NH2+]CC[NH2+]C1",
        "std_free_energy": -9.86802864074707,
        "relative_population": 0.7216347894005465
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "C1C[NH2+]CCNCC[NH2+]C1",
        "std_free_energy": -8.915443420410156,
        "relative_population": 0.2783652105994536
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.69,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.75,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]