filename,rows,columns,sha256
Table_S10_kendall_rank_agreement.csv,6,5,e99cd53fd0e8b63a5f6f2a74ee894b41ef311c3f5a14f5a190fc52d5caa61aaa
Table_S11_broad_ChEMBL_metrics.csv,3,7,17c056977f593258e691ad88039c42698f93eab3ef55d321b6a4af76804f9701
Table_S12_broad_ChEMBL_DeLong_pairwise_comparisons.csv,3,12,4c487e01b1a7b13977646d79178974eeb86dead4a10bfbcf72fef99c049f893e
Table_S13A_target_matched_ChEMBL_metrics_by_target.csv,21,9,005cd1d0390e16d4db020e18ef35d18c41a2e56843530b75cc9eb8e9e84ccb20
Table_S13B_target_matched_ChEMBL_raw_descriptor_data.csv,41475,26,1467e09f92e6d6c57d2f10f8b1a537c0c344221a0f86dc0683b0c4f33be19d98
Table_S14A_MPO_comparator_metrics.csv,5,5,7ac170a4c4b155eac416a8814f66d790e4bb7043064b147ee8488aca68d04e3d
Table_S14B_MPO_comparator_DeLong.csv,4,9,7aef391096b57bc9c659d33da436f302d8e8d012db152cb0b565ad9db1c61521
Table_S14C_MPO_comparator_compound_level_scores.csv,4388,8,5995ca74424861f3dfb5d2aefa6dd1736cb61c8760d9d63fd9e8551d9a0e7dfb
Table_S15_curated_retrospective_scores.csv,45,14,e8da43e5af4fe72a5e166a4dcf534c4c52256bbc7ddcd10816874661140241b8
Table_S16_curated_liability_ablation_summary.csv,21,11,0ffcbb41ca05e011e15904c49c75a6fdf12943214df99cc611511b7633743d11
Table_S17A_internal_LE_adjusted_SWAN_sensitivity.csv,20,10,8ed24b94e7781c6e804000813f5e7b39958a6bc48bb7bfb21282f5b2c1819357
Table_S17B_internal_target_level_ligand_efficiency.csv,90,27,e8881dbed01c6a99569131afd25d364854ffbf9ddf2ad0df39495ce6348cbd3f
Table_S17C_expanded_LE_adjusted_SWAN_sensitivity.csv,177,15,8584f887c9025d259615fa81eedac6e1d79f3aa47d327cbb95e4122b4ff0226b
Table_S17D_expanded_target_level_ligand_efficiency.csv,531,26,c39c45e5d87dbf2adc188f3d92908c880027ab138cd32a699b95cb2cc6d2828a
Table_S18A_strict_pass_only_internal_scores.csv,15,29,9d18c77c445cbc8193d0db633630758d14d5ce0bc51ebdb40fcc038663b4793a
Table_S18B_expanded_strict_top_pose_sensitivity_scores.csv,118,11,b792da286d1d8b30b2c81a16071cf808c6d105944136435f32c294b26e6cd010
Table_S18C_expanded_strict_top_pose_sensitivity_summary.csv,3,7,b83c8ac9c0d44f7f54fd873af15a31dcd88f6b79260ec8f70ee0186566018b09
Table_S19A_monte_carlo_rank_stability_all_compounds.csv,40,11,acfb7af8e6a748de53ba532e82cd4f11e0fe08f48365473e40405eaea760557b
Table_S19B_expanded_monte_carlo_weight_stability_summary.csv,354,17,8910c0874e52f72f44d3d25782fbebb7512c4d4d58eaa08ae765e29cc93989ef
Table_S19C_expanded_monte_carlo_weight_draws.csv,40000,6,08b48ee615afed4316acf4510b5599f84cb941e096306e2f3f2905e1e2a5418d
Table_S19D_expanded_monte_carlo_muricatacin_iterations.csv,120000,5,39c3d8d85dbf9bd1e2cca79d5676cfb8b2a018fedf969d8b2ed96296bfa4f31c
Table_S1_internal_discovery_manifest.csv,20,3,6a9bfbc689d5e60ef4ffa82799b127e0f31e99d141c7351e9210155f23a92d8f
Table_S20A_retrospective_PCA_coordinates.csv,15,19,ef502924997609b2072ff08c95c970595832ad326f97a3ca9d63c1bc2eea1676
Table_S20B_retrospective_PCA_loadings.csv,14,3,55a69e8fa028931ee22eedd9f000c5bcdd029c246c6cc87e7d1d883e68d49899
Table_S20C_retrospective_PCA_explained_variance.csv,2,2,28985aa40593334b5672f74fca3418df799a3b29274187052b9681f9d64b5276
Table_S21A_retrospective_target_level_binding_saturation.csv,90,23,e9345afe5e9e157ccf4dd361c5f6bb65f77cdd6658918529d5a319e7fe14d590
Table_S21B_retrospective_compound_level_binding_saturation.csv,45,22,4f09ccba6cf68f35a58990f871a96e9c467821147f55cbaa9860273d5cf89b98
Table_S21C_retrospective_binding_saturation_summary.csv,6,36,92924c21334b3e722535615818be82908cb0690be6f4451814faae045ebd644b
Table_S21D_retrospective_binding_saturation_diagnostics.csv,3,8,38f81529d7333d4ff9e6093f1dd34f827be1125c68d8e9c8e3685827fa65bb05
Table_S22A_COCONUT_muricatacin_global_position.csv,1,23,90042f54195af3f5f54613fbcf7dd623f77ae99d6eafdd2c9e7b6fbe4d2bf4b8
Table_S22B_COCONUT_nearest_neighbors.csv,100,17,ed496154bbcd69a1ef69e64c4c20a2f3158c48d43f1bc8ecf16fb204222a3a95
Table_S22C_COCONUT_PCA_model.csv,8,5,0d96760131b847645b13bf1110a7909f62db25323c1722eee23e58688bc79b4b
Table_S23_parameter_dictionary.csv,32,24,5e3e5907cc7824a80370fb7d6f6e21094f65bda810f71f9cfb76d56c3358846c
Table_S2_expanded_annona_compound_manifest.csv,59,27,2485de92fc88bd5e498213885089bab4b2a27054ef0d6733d32a635d88048a66
Table_S3_expanded_annona_docking_deployment.csv,10620,42,54faca0668b2285cb5b6b5a0abe522a66d99af9704ac70e2f990df67b3f94eef
Table_S4A_retrospective_benchmark_manifest_PRIMARY.csv,15,18,d8cc5e7d74cbe5e31dfad015e3549ef0b1c2d35254671c46928b8115f71dbdce
Table_S4B_retrospective_primary_structure_inventory.csv,15,7,a71a88dbe296ad887092c62350d8b691caa94dafe4d9bde7985534799e4fbbdc
Table_S5_target_pdb_master.csv,13,21,28637faa57ef8ad912995b9f42785ecee7b1d93625e1e02707cc0e83edbf2c72
Table_S6_redocking_reference_calibration.csv,9,16,e7584f10c0f970bb54ddf39cfdacbb6cb061bc6a3d2bd795e2d5f119efc7287c
Table_S7_internal_target_level_grid_audit.csv,90,27,e8881dbed01c6a99569131afd25d364854ffbf9ddf2ad0df39495ce6348cbd3f
Table_S8A_internal_final_SWAN_scores.csv,20,39,1a1300ec2c53aecfe2ddd65af88ebeb2a3fed1e7edbe07b19d029b794ed9c742
Table_S8B_expanded_library_final_SWAN_scores.csv,177,48,750a5d0ef13ceeccb6def1fd1c9d148eb35a5cc3a7ddb3f4d59af92973286cb5
Table_S9A_internal_bestnode_top2_breadth_diagnostics.csv,20,18,1d757d215f2bd8f2733524759a0985f9200e41025996dbfcb445dd6eb0ef04d4
Table_S9B_expanded_bestnode_top2_breadth_diagnostics.csv,177,21,2a28804c82c0bc92d4cb495e9d5107decf7485a01364e3369402241d6213f8f4
