[
  {
    "molid": "mol30273",
    "smiles": "c1ccc(C2=NOC3CCCCC23)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(C2=NO[C@H]3CCCC[C@H]23)cc1",
        "std_free_energy": -5.9271955490112305,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(C2=[NH+]O[C@H]3CCCC[C@H]23)cc1",
        "std_free_energy": 1.2634227275848389,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -1.85,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]