[
  {
    "molid": "mol34579",
    "smiles": "c1cc2cc(c1)CNCCCNCCCNCCNCCCNCCCNC2",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1cc2cc(c1)CNCCCNCCC[NH2+]CCNCCCNCCCNC2",
        "std_free_energy": -6.304877281188965,
        "relative_population": 0.3824661955675431
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1cc2cc(c1)CNCCC[NH2+]CCCNCCNCCCNCCCNC2",
        "std_free_energy": -6.336319923400879,
        "relative_population": 0.3946830011513473
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "c1cc2cc(c1)C[NH2+]CCCNCCCNCCNCCCNCCCNC2",
        "std_free_energy": -5.764739513397217,
        "relative_population": 0.2228508032811097
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "c1cc2cc(c1)C[NH2+]CCCNCCCNCC[NH2+]CCCNCCCNC2",
        "std_free_energy": -12.181147575378418,
        "relative_population": 0.0814459296977838
      },
      {
        "id": "2_4",
        "charge": 2,
        "smiles": "c1cc2cc(c1)CNCCC[NH2+]CCCNCC[NH2+]CCCNCCCNC2",
        "std_free_energy": -12.357192993164062,
        "relative_population": 0.09712363733419509
      },
      {
        "id": "2_5",
        "charge": 2,
        "smiles": "c1cc2cc(c1)CNCCC[NH2+]CCCNCCNCCC[NH2+]CCCNC2",
        "std_free_energy": -13.422433853149414,
        "relative_population": 0.28180790152605667
      },
      {
        "id": "2_6",
        "charge": 2,
        "smiles": "c1cc2cc(c1)C[NH2+]CCCNCCCNCCNCCC[NH2+]CCCNC2",
        "std_free_energy": -13.503329277038574,
        "relative_population": 0.3055523316920577
      },
      {
        "id": "2_8",
        "charge": 2,
        "smiles": "c1cc2cc(c1)C[NH2+]CCCNCCC[NH2+]CCNCCCNCCCNC2",
        "std_free_energy": -12.997621536254883,
        "relative_population": 0.18427207273816182
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.7799997329712,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]