[
  {
    "molid": "mol15705",
    "smiles": "c1ccc(NCCN2CCCCC2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(NCCN2CCCCC2)cc1",
        "std_free_energy": -2.7403697967529297,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ccc(NCC[NH+]2CCCCC2)cc1",
        "std_free_energy": -9.265290260314941,
        "relative_population": 0.9795079999983218
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "c1ccc([NH2+]CC[NH+]2CCCCC2)cc1",
        "std_free_energy": -0.46122899651527405,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.1999998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.8,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]