[
  {
    "molid": "mol26587",
    "smiles": "c1cnc2c(ccc3nccnc32)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1cnc2c(ccc3nccnc32)n1",
        "std_free_energy": -11.944210052490234,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1cnc2c(ccc3ncc[nH+]c32)n1",
        "std_free_energy": -1.7839275598526,
        "relative_population": 0.5824559347986892
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1cnc2c(ccc3[nH+]ccnc32)n1",
        "std_free_energy": -1.451064109802246,
        "relative_population": 0.4175440652013108
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]