[
  {
    "molid": "mol34603",
    "smiles": "c1cc2cc(c1)CNCCNCCNC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1cc2cc(c1)CNCCNCCNC2",
        "std_free_energy": -1.366978406906128,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1cc2cc(c1)C[NH2+]CCNCCNC2",
        "std_free_energy": -8.144583702087402,
        "relative_population": 0.5080445023026282
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1cc2cc(c1)CNCC[NH2+]CCNC2",
        "std_free_energy": -8.11240291595459,
        "relative_population": 0.49195549769737174
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.57999992370606,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]