[
  {
    "molid": "mol17334",
    "smiles": "C/C(=N/OCC(O)CNC(C)(C)C)C1CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C(=N/OC[C@H](O)CNC(C)(C)C)C1CC1",
        "std_free_energy": -1.9387130737304688,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C/C(=N/OC[C@H](O)C[NH2+]C(C)(C)C)C1CC1",
        "std_free_energy": -9.251225471496582,
        "relative_population": 0.9873390923017916
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.45,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]