[
  {
    "molid": "mol13141",
    "smiles": "CNCCN(C)CCNC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNCCN(C)CCNC",
        "std_free_energy": 0.913634717464447,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CNCC[NH+](C)CCNC",
        "std_free_energy": -6.452042579650879,
        "relative_population": 0.22658770176988172
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CNCCN(C)CC[NH2+]C",
        "std_free_energy": -7.679722785949707,
        "relative_population": 0.7734122982301183
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH2+]CCN(C)CC[NH2+]C",
        "std_free_energy": -15.344949722290039,
        "relative_population": 0.9995683958611815
      },
      {
        "id": "3_1",
        "charge": 3,
        "smiles": "C[NH2+]CC[NH+](C)CC[NH2+]C",
        "std_free_energy": -7.086334705352783,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.36,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.84,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.13,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "Datawarrior"
      }
    ]
  }
]