[
  {
    "molid": "mol17828",
    "smiles": "CCCNC(C)(C)P(=O)(OCC)OCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCNC(C)(C)P(=O)(OCC)OCC",
        "std_free_energy": -2.625631809234619,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCC[NH2+]C(C)(C)P(=O)(OCC)OCC",
        "std_free_energy": -7.79615592956543,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.99,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]