[
  {
    "molid": "mol7613",
    "smiles": "CCNc1nc(NCC)nc(OC)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCNc1nc(NCC)nc(OC)n1",
        "std_free_energy": -6.982618808746338,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCNc1nc([NH2+]CC)nc(OC)n1",
        "std_free_energy": -0.22696718573570251,
        "relative_population": 0.46996425905866657
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCNc1nc(OC)nc(NCC)[nH+]1",
        "std_free_energy": 0.4022226333618164,
        "relative_population": 0.25050198087017495
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CCNc1nc(NCC)[nH+]c(OC)n1",
        "std_free_energy": 0.2925663888454437,
        "relative_population": 0.2795337600711586
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.15,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]