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The dataset generation failed because of a cast error
Error code:   DatasetGenerationCastError
Exception:    DatasetGenerationCastError
Message:      An error occurred while generating the dataset

All the data files must have the same columns, but at some point there are 10 new columns ({'predicted_delta_g_raw_kcal_mol', 'reported_error_kcal_mol', 'experimental_delta_g_kcal_mol', 'ligand_name', 'abs_delta_g_error_kcal_mol', 'delta_g_error_kcal_mol', 'smiles', 'compound_group', 'experimental_pKD', 'predicted_delta_g_shifted_kcal_mol'}) and 17 missing columns ({'kendall_p', 'experimental_delta_g_range_kcal_mol', 'experimental_pKD_min', 'rmse_kcal_mol', 'experimental_pKD_max', 'pearson_p', 'spearman_p', 'experimental_pKD_range', 'n', 'kendall_tau', 'mae_kcal_mol', 'r2_score', 'pearson_r', 'linear_fit_r_squared', 'spearman_rho', 'linear_fit_intercept', 'linear_fit_slope'}).

This happened while the csv dataset builder was generating data using

hf://datasets/introvoyz043/openbind_ev_a71_rbfe/data/openbind_ev71_2a_methylthio_pyrimidine_benchmark_release/results/rowan_results_per_compound_long.csv (at revision 7df2096694a041fd16e3be3548aa5ff89a33253f), ['hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_methylthio_pyrimidine_benchmark_release/results/rowan_results_overall_by_run.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_methylthio_pyrimidine_benchmark_release/results/rowan_results_per_compound_long.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_methylthio_pyrimidine_benchmark_release/results/rowan_results_per_compound_wide.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_methylthio_pyrimidine_benchmark_release/results/rowan_results_per_edge_long.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_methylthio_pyrimidine_benchmark_release/results/rowan_results_per_edge_wide.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_methylthio_pyrimidine_benchmark_release/subset/methylthio_pyrimidine_76_subset.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_pyrrolidine_benchmark_release/results/rowan_results_overall_by_run.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_pyrrolidine_benchmark_release/results/rowan_results_per_compound_long.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_pyrrolidine_benchmark_release/results/rowan_results_per_compound_wide.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_pyrrolidine_benchmark_release/results/rowan_results_per_edge_long.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_pyrrolidine_benchmark_release/results/rowan_results_per_edge_wide.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_pyrrolidine_benchmark_release/subset/pyrrolidine_32_subset.csv']

Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)
Traceback:    Traceback (most recent call last):
                File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1848, in _prepare_split_single
                  writer.write_table(table)
                  ~~~~~~~~~~~~~~~~~~^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/arrow_writer.py", line 784, in write_table
                  self._write_table(pa_table, writer_batch_size=writer_batch_size)
                  ~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/arrow_writer.py", line 795, in _write_table
                  pa_table = table_cast(pa_table, self._schema)
                File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2378, in table_cast
                  return cast_table_to_schema(table, schema)
                File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2306, in cast_table_to_schema
                  raise CastError(
                  ...<3 lines>...
                  )
              datasets.table.CastError: Couldn't cast
              run: string
              ligand_name: string
              compound_group: string
              experimental_pKD: double
              experimental_delta_g_kcal_mol: double
              predicted_delta_g_raw_kcal_mol: double
              predicted_delta_g_shifted_kcal_mol: double
              delta_g_error_kcal_mol: double
              abs_delta_g_error_kcal_mol: double
              reported_error_kcal_mol: double
              smiles: string
              -- schema metadata --
              pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 1814
              to
              {'run': Value('string'), 'n': Value('int64'), 'experimental_pKD_min': Value('float64'), 'experimental_pKD_max': Value('float64'), 'experimental_pKD_range': Value('float64'), 'experimental_delta_g_range_kcal_mol': Value('float64'), 'rmse_kcal_mol': Value('float64'), 'mae_kcal_mol': Value('float64'), 'r2_score': Value('float64'), 'pearson_r': Value('float64'), 'pearson_p': Value('float64'), 'spearman_rho': Value('float64'), 'spearman_p': Value('float64'), 'kendall_tau': Value('float64'), 'kendall_p': Value('float64'), 'linear_fit_slope': Value('float64'), 'linear_fit_intercept': Value('float64'), 'linear_fit_r_squared': Value('float64')}
              because column names don't match
              
              During handling of the above exception, another exception occurred:
              
              Traceback (most recent call last):
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1369, in compute_config_parquet_and_info_response
                  parquet_operations, partial, estimated_dataset_info = stream_convert_to_parquet(
                                                                        ~~~~~~~~~~~~~~~~~~~~~~~~~^
                      builder, max_dataset_size_bytes=max_dataset_size_bytes
                      ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                  )
                  ^
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 948, in stream_convert_to_parquet
                  builder._prepare_split(split_generator=splits_generators[split], file_format="parquet")
                  ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1694, in _prepare_split
                  for job_id, done, content in self._prepare_split_single(
                                               ~~~~~~~~~~~~~~~~~~~~~~~~~~^
                      gen_kwargs=gen_kwargs, job_id=job_id, **_prepare_split_args
                      ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                  ):
                  ^
                File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1850, in _prepare_split_single
                  raise DatasetGenerationCastError.from_cast_error(
                  ...<4 lines>...
                  )
              datasets.exceptions.DatasetGenerationCastError: An error occurred while generating the dataset
              
              All the data files must have the same columns, but at some point there are 10 new columns ({'predicted_delta_g_raw_kcal_mol', 'reported_error_kcal_mol', 'experimental_delta_g_kcal_mol', 'ligand_name', 'abs_delta_g_error_kcal_mol', 'delta_g_error_kcal_mol', 'smiles', 'compound_group', 'experimental_pKD', 'predicted_delta_g_shifted_kcal_mol'}) and 17 missing columns ({'kendall_p', 'experimental_delta_g_range_kcal_mol', 'experimental_pKD_min', 'rmse_kcal_mol', 'experimental_pKD_max', 'pearson_p', 'spearman_p', 'experimental_pKD_range', 'n', 'kendall_tau', 'mae_kcal_mol', 'r2_score', 'pearson_r', 'linear_fit_r_squared', 'spearman_rho', 'linear_fit_intercept', 'linear_fit_slope'}).
              
              This happened while the csv dataset builder was generating data using
              
              hf://datasets/introvoyz043/openbind_ev_a71_rbfe/data/openbind_ev71_2a_methylthio_pyrimidine_benchmark_release/results/rowan_results_per_compound_long.csv (at revision 7df2096694a041fd16e3be3548aa5ff89a33253f), ['hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_methylthio_pyrimidine_benchmark_release/results/rowan_results_overall_by_run.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_methylthio_pyrimidine_benchmark_release/results/rowan_results_per_compound_long.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_methylthio_pyrimidine_benchmark_release/results/rowan_results_per_compound_wide.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_methylthio_pyrimidine_benchmark_release/results/rowan_results_per_edge_long.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_methylthio_pyrimidine_benchmark_release/results/rowan_results_per_edge_wide.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_methylthio_pyrimidine_benchmark_release/subset/methylthio_pyrimidine_76_subset.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_pyrrolidine_benchmark_release/results/rowan_results_overall_by_run.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_pyrrolidine_benchmark_release/results/rowan_results_per_compound_long.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_pyrrolidine_benchmark_release/results/rowan_results_per_compound_wide.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_pyrrolidine_benchmark_release/results/rowan_results_per_edge_long.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_pyrrolidine_benchmark_release/results/rowan_results_per_edge_wide.csv', 'hf://datasets/introvoyz043/openbind_ev_a71_rbfe@7df2096694a041fd16e3be3548aa5ff89a33253f/data/openbind_ev71_2a_pyrrolidine_benchmark_release/subset/pyrrolidine_32_subset.csv']
              
              Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)

Need help to make the dataset viewer work? Make sure to review how to configure the dataset viewer, and open a discussion for direct support.

run
string
n
int64
experimental_pKD_min
float64
experimental_pKD_max
float64
experimental_pKD_range
float64
experimental_delta_g_range_kcal_mol
float64
rmse_kcal_mol
float64
mae_kcal_mol
float64
r2_score
float64
pearson_r
float64
pearson_p
float64
spearman_rho
float64
spearman_p
float64
kendall_tau
float64
kendall_p
float64
linear_fit_slope
float64
linear_fit_intercept
float64
linear_fit_r_squared
float64
xtal_nagl
76
5.029
7.938
2.909
3.968595
1.28517
0.940082
-1.164038
0.010338
0.929376
0.049187
0.673063
0.027368
0.726474
0.00949
-8.479276
0.000107
docking_nagl
76
5.029
7.938
2.909
3.968595
1.063695
0.810087
-0.482442
0.070711
0.543856
0.065291
0.575235
0.038954
0.618608
0.091967
-7.773235
0.005
docking_am1bcc
76
5.029
7.938
2.909
3.968595
1.107922
0.862598
-0.60828
-0.070744
0.543668
-0.103623
0.373041
-0.072982
0.350897
-0.099307
-9.410636
0.005005
docking_am1bcc_4ns
76
5.029
7.938
2.909
3.968595
1.071148
0.838889
-0.503291
-0.01115
0.92384
-0.015257
0.895928
-0.008777
0.910724
-0.015966
-8.697195
0.000124
docking_am1bcc_350local
76
5.029
7.938
2.909
3.968595
0.986847
0.79052
-0.275979
0.115211
0.321665
0.031866
0.784647
0.029128
0.709709
0.176424
-7.050235
0.013274
docking_am1bcc_0local
76
5.029
7.938
2.909
3.968595
0.913018
0.700606
-0.092199
0.304264
0.007535
0.27336
0.01688
0.187434
0.016622
0.414461
-5.012516
0.092577
xtal_nagl
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_nagl
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_am1bcc
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_am1bcc_4ns
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_am1bcc_350local
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_am1bcc_0local
null
null
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null
null
null
null
null
null
null
null
null
null
null
null
null
null
xtal_nagl
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_nagl
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_am1bcc
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_am1bcc_4ns
null
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null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_am1bcc_350local
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_am1bcc_0local
null
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null
null
null
null
null
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null
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null
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xtal_nagl
null
null
null
null
null
null
null
null
null
null
null
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null
null
null
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docking_nagl
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null
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null
null
null
null
null
null
null
null
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docking_am1bcc
null
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null
null
null
null
null
null
null
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docking_am1bcc_4ns
null
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null
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null
null
null
null
null
null
null
null
null
null
null
null
null
docking_am1bcc_350local
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_am1bcc_0local
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
xtal_nagl
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_nagl
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
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docking_am1bcc
null
null
null
null
null
null
null
null
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null
docking_am1bcc_4ns
null
null
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null
null
null
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null
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null
null
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null
docking_am1bcc_350local
null
null
null
null
null
null
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null
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null
null
null
docking_am1bcc_0local
null
null
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null
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xtal_nagl
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_nagl
null
null
null
null
null
null
null
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null
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null
null
null
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null
null
null
docking_am1bcc
null
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null
null
null
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null
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null
null
docking_am1bcc_4ns
null
null
null
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null
null
null
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null
null
null
null
null
null
null
null
docking_am1bcc_350local
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_am1bcc_0local
null
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null
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null
null
null
null
null
null
null
null
null
null
xtal_nagl
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_nagl
null
null
null
null
null
null
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null
null
null
null
null
null
null
null
null
null
docking_am1bcc
null
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null
null
null
docking_am1bcc_4ns
null
null
null
null
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null
null
null
null
null
null
null
null
null
docking_am1bcc_350local
null
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null
null
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null
null
null
null
null
null
null
null
null
null
docking_am1bcc_0local
null
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null
null
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null
null
null
null
null
xtal_nagl
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_nagl
null
null
null
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null
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null
null
null
null
null
null
null
null
null
null
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docking_am1bcc
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docking_am1bcc_4ns
null
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docking_am1bcc_350local
null
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null
null
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null
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null
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docking_am1bcc_0local
null
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null
null
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null
null
null
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null
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xtal_nagl
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_nagl
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_am1bcc
null
null
null
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null
null
null
null
null
null
null
null
null
null
null
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docking_am1bcc_4ns
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_am1bcc_350local
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_am1bcc_0local
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
xtal_nagl
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_nagl
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_am1bcc
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
docking_am1bcc_4ns
null
null
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docking_am1bcc_350local
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docking_am1bcc_0local
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xtal_nagl
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docking_nagl
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docking_am1bcc
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docking_am1bcc_4ns
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docking_am1bcc_350local
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docking_am1bcc_0local
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xtal_nagl
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docking_nagl
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docking_am1bcc
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docking_am1bcc_4ns
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docking_am1bcc_350local
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docking_am1bcc_0local
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xtal_nagl
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docking_nagl
null
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docking_am1bcc
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docking_am1bcc_4ns
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docking_am1bcc_350local
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docking_am1bcc_0local
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xtal_nagl
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docking_nagl
null
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docking_am1bcc
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docking_am1bcc_4ns
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docking_am1bcc_350local
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docking_am1bcc_0local
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xtal_nagl
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docking_nagl
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docking_am1bcc
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docking_am1bcc_4ns
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docking_am1bcc_350local
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docking_am1bcc_0local
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xtal_nagl
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docking_nagl
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docking_am1bcc
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docking_am1bcc_4ns
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docking_am1bcc_350local
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docking_am1bcc_0local
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xtal_nagl
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docking_nagl
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docking_am1bcc
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docking_am1bcc_4ns
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