[
  {
    "molid": "mol7920",
    "smiles": "CNc1nc(C)c2ccccc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNc1nc(C)c2ccccc2n1",
        "std_free_energy": -6.743268966674805,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CNc1nc(C)c2ccccc2[nH+]1",
        "std_free_energy": -1.8965386152267456,
        "relative_population": 0.2625418374000916
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CNc1nc2ccccc2c(C)[nH+]1",
        "std_free_energy": -2.4646472930908203,
        "relative_population": 0.46336687539155363
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[NH2+]c1nc(C)c2ccccc2n1",
        "std_free_energy": -1.9395893812179565,
        "relative_population": 0.27409128720835474
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.43,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]