complex_id stringlengths 6 8 | ligand_pdbqt_path stringlengths 34 38 | target_pdbqt_path stringlengths 34 38 | decoys_pdbqt_path stringlengths 34 38 ⌀ | decoy_scores_csv_path stringlengths 38 42 ⌀ |
|---|---|---|---|---|
5FVQ-W64 | data/5F/5FVQ-W64/5FVQ-W64_ligand.pdbqt | data/5F/5FVQ-W64/5FVQ-W64_target.pdbqt | data/5F/5FVQ-W64/5FVQ-W64_decoys.pdbqt | data/5F/5FVQ-W64/5FVQ-W64_decoy_scores.csv |
5FMM-FLC | data/5F/5FMM-FLC/5FMM-FLC_ligand.pdbqt | data/5F/5FMM-FLC/5FMM-FLC_target.pdbqt | data/5F/5FMM-FLC/5FMM-FLC_decoys.pdbqt | data/5F/5FMM-FLC/5FMM-FLC_decoy_scores.csv |
5FVS-W66 | data/5F/5FVS-W66/5FVS-W66_ligand.pdbqt | data/5F/5FVS-W66/5FVS-W66_target.pdbqt | data/5F/5FVS-W66/5FVS-W66_decoys.pdbqt | data/5F/5FVS-W66/5FVS-W66_decoy_scores.csv |
5FT0-ARG | data/5F/5FT0-ARG/5FT0-ARG_ligand.pdbqt | data/5F/5FT0-ARG/5FT0-ARG_target.pdbqt | data/5F/5FT0-ARG/5FT0-ARG_decoys.pdbqt | data/5F/5FT0-ARG/5FT0-ARG_decoy_scores.csv |
5F2K-SAH | data/5F/5F2K-SAH/5F2K-SAH_ligand.pdbqt | data/5F/5F2K-SAH/5F2K-SAH_target.pdbqt | data/5F/5F2K-SAH/5F2K-SAH_decoys.pdbqt | data/5F/5F2K-SAH/5F2K-SAH_decoy_scores.csv |
5FYE-LD6 | data/5F/5FYE-LD6/5FYE-LD6_ligand.pdbqt | data/5F/5FYE-LD6/5FYE-LD6_target.pdbqt | data/5F/5FYE-LD6/5FYE-LD6_decoys.pdbqt | data/5F/5FYE-LD6/5FYE-LD6_decoy_scores.csv |
5F63-5W2 | data/5F/5F63-5W2/5F63-5W2_ligand.pdbqt | data/5F/5F63-5W2/5F63-5W2_target.pdbqt | data/5F/5F63-5W2/5F63-5W2_decoys.pdbqt | data/5F/5F63-5W2/5F63-5W2_decoy_scores.csv |
5F9B-5VN | data/5F/5F9B-5VN/5F9B-5VN_ligand.pdbqt | data/5F/5F9B-5VN/5F9B-5VN_target.pdbqt | data/5F/5F9B-5VN/5F9B-5VN_decoys.pdbqt | data/5F/5F9B-5VN/5F9B-5VN_decoy_scores.csv |
5F11-FRU | data/5F/5F11-FRU/5F11-FRU_ligand.pdbqt | data/5F/5F11-FRU/5F11-FRU_target.pdbqt | data/5F/5F11-FRU/5F11-FRU_decoys.pdbqt | data/5F/5F11-FRU/5F11-FRU_decoy_scores.csv |
5FRI-ZUQ | data/5F/5FRI-ZUQ/5FRI-ZUQ_ligand.pdbqt | data/5F/5FRI-ZUQ/5FRI-ZUQ_target.pdbqt | data/5F/5FRI-ZUQ/5FRI-ZUQ_decoys.pdbqt | data/5F/5FRI-ZUQ/5FRI-ZUQ_decoy_scores.csv |
5FH6-5XM | data/5F/5FH6-5XM/5FH6-5XM_ligand.pdbqt | data/5F/5FH6-5XM/5FH6-5XM_target.pdbqt | data/5F/5FH6-5XM/5FH6-5XM_decoys.pdbqt | data/5F/5FH6-5XM/5FH6-5XM_decoy_scores.csv |
5FVU-W64 | data/5F/5FVU-W64/5FVU-W64_ligand.pdbqt | data/5F/5FVU-W64/5FVU-W64_target.pdbqt | data/5F/5FVU-W64/5FVU-W64_decoys.pdbqt | data/5F/5FVU-W64/5FVU-W64_decoy_scores.csv |
5F84-BGC | data/5F/5F84-BGC/5F84-BGC_ligand.pdbqt | data/5F/5F84-BGC/5F84-BGC_target.pdbqt | data/5F/5F84-BGC/5F84-BGC_decoys.pdbqt | data/5F/5F84-BGC/5F84-BGC_decoy_scores.csv |
5F5R-ANP | data/5F/5F5R-ANP/5F5R-ANP_ligand.pdbqt | data/5F/5F5R-ANP/5F5R-ANP_target.pdbqt | data/5F/5F5R-ANP/5F5R-ANP_decoys.pdbqt | data/5F/5F5R-ANP/5F5R-ANP_decoy_scores.csv |
5FI7-5XZ | data/5F/5FI7-5XZ/5FI7-5XZ_ligand.pdbqt | data/5F/5FI7-5XZ/5FI7-5XZ_target.pdbqt | data/5F/5FI7-5XZ/5FI7-5XZ_decoys.pdbqt | data/5F/5FI7-5XZ/5FI7-5XZ_decoy_scores.csv |
5F2N-SAH | data/5F/5F2N-SAH/5F2N-SAH_ligand.pdbqt | data/5F/5F2N-SAH/5F2N-SAH_target.pdbqt | data/5F/5F2N-SAH/5F2N-SAH_decoys.pdbqt | data/5F/5F2N-SAH/5F2N-SAH_decoy_scores.csv |
5FVX-H4B | data/5F/5FVX-H4B/5FVX-H4B_ligand.pdbqt | data/5F/5FVX-H4B/5FVX-H4B_target.pdbqt | data/5F/5FVX-H4B/5FVX-H4B_decoys.pdbqt | data/5F/5FVX-H4B/5FVX-H4B_decoy_scores.csv |
5FYS-2HG | data/5F/5FYS-2HG/5FYS-2HG_ligand.pdbqt | data/5F/5FYS-2HG/5FYS-2HG_target.pdbqt | data/5F/5FYS-2HG/5FYS-2HG_decoys.pdbqt | data/5F/5FYS-2HG/5FYS-2HG_decoy_scores.csv |
5FYT-WQS | data/5F/5FYT-WQS/5FYT-WQS_ligand.pdbqt | data/5F/5FYT-WQS/5FYT-WQS_target.pdbqt | data/5F/5FYT-WQS/5FYT-WQS_decoys.pdbqt | data/5F/5FYT-WQS/5FYT-WQS_decoy_scores.csv |
5F2R-ACP | data/5F/5F2R-ACP/5F2R-ACP_ligand.pdbqt | data/5F/5F2R-ACP/5F2R-ACP_target.pdbqt | data/5F/5F2R-ACP/5F2R-ACP_decoys.pdbqt | data/5F/5F2R-ACP/5F2R-ACP_decoy_scores.csv |
5FZ9-NUK | data/5F/5FZ9-NUK/5FZ9-NUK_ligand.pdbqt | data/5F/5FZ9-NUK/5FZ9-NUK_target.pdbqt | data/5F/5FZ9-NUK/5FZ9-NUK_decoys.pdbqt | data/5F/5FZ9-NUK/5FZ9-NUK_decoy_scores.csv |
5F6Z-BLA | data/5F/5F6Z-BLA/5F6Z-BLA_ligand.pdbqt | data/5F/5F6Z-BLA/5F6Z-BLA_target.pdbqt | data/5F/5F6Z-BLA/5F6Z-BLA_decoys.pdbqt | data/5F/5F6Z-BLA/5F6Z-BLA_decoy_scores.csv |
5F1J-5TO | data/5F/5F1J-5TO/5F1J-5TO_ligand.pdbqt | data/5F/5F1J-5TO/5F1J-5TO_target.pdbqt | data/5F/5F1J-5TO/5F1J-5TO_decoys.pdbqt | data/5F/5F1J-5TO/5F1J-5TO_decoy_scores.csv |
5FP3-BCN | data/5F/5FP3-BCN/5FP3-BCN_ligand.pdbqt | data/5F/5FP3-BCN/5FP3-BCN_target.pdbqt | data/5F/5FP3-BCN/5FP3-BCN_decoys.pdbqt | data/5F/5FP3-BCN/5FP3-BCN_decoy_scores.csv |
5FF0-5X8 | data/5F/5FF0-5X8/5FF0-5X8_ligand.pdbqt | data/5F/5FF0-5X8/5FF0-5X8_target.pdbqt | data/5F/5FF0-5X8/5FF0-5X8_decoys.pdbqt | data/5F/5FF0-5X8/5FF0-5X8_decoy_scores.csv |
5FM0-WAQ | data/5F/5FM0-WAQ/5FM0-WAQ_ligand.pdbqt | data/5F/5FM0-WAQ/5FM0-WAQ_target.pdbqt | null | null |
5FVV-H4B | data/5F/5FVV-H4B/5FVV-H4B_ligand.pdbqt | data/5F/5FVV-H4B/5FVV-H4B_target.pdbqt | data/5F/5FVV-H4B/5FVV-H4B_decoys.pdbqt | data/5F/5FVV-H4B/5FVV-H4B_decoy_scores.csv |
5FNM-5O6 | data/5F/5FNM-5O6/5FNM-5O6_ligand.pdbqt | data/5F/5FNM-5O6/5FNM-5O6_target.pdbqt | data/5F/5FNM-5O6/5FNM-5O6_decoys.pdbqt | data/5F/5FNM-5O6/5FNM-5O6_decoy_scores.csv |
5FPA-N5J | data/5F/5FPA-N5J/5FPA-N5J_ligand.pdbqt | data/5F/5FPA-N5J/5FPA-N5J_target.pdbqt | data/5F/5FPA-N5J/5FPA-N5J_decoys.pdbqt | data/5F/5FPA-N5J/5FPA-N5J_decoy_scores.csv |
5FOQ-P15 | data/5F/5FOQ-P15/5FOQ-P15_ligand.pdbqt | data/5F/5FOQ-P15/5FOQ-P15_target.pdbqt | data/5F/5FOQ-P15/5FOQ-P15_decoys.pdbqt | data/5F/5FOQ-P15/5FOQ-P15_decoy_scores.csv |
5F1F-AMP | data/5F/5F1F-AMP/5F1F-AMP_ligand.pdbqt | data/5F/5F1F-AMP/5F1F-AMP_target.pdbqt | data/5F/5F1F-AMP/5F1F-AMP_decoys.pdbqt | data/5F/5F1F-AMP/5F1F-AMP_decoy_scores.csv |
5F3D-5UK | data/5F/5F3D-5UK/5F3D-5UK_ligand.pdbqt | data/5F/5F3D-5UK/5F3D-5UK_target.pdbqt | data/5F/5F3D-5UK/5F3D-5UK_decoys.pdbqt | data/5F/5F3D-5UK/5F3D-5UK_decoy_scores.csv |
5F12-FMN | data/5F/5F12-FMN/5F12-FMN_ligand.pdbqt | data/5F/5F12-FMN/5F12-FMN_target.pdbqt | data/5F/5F12-FMN/5F12-FMN_decoys.pdbqt | data/5F/5F12-FMN/5F12-FMN_decoy_scores.csv |
5FE7-5WU | data/5F/5FE7-5WU/5FE7-5WU_ligand.pdbqt | data/5F/5FE7-5WU/5FE7-5WU_target.pdbqt | data/5F/5FE7-5WU/5FE7-5WU_decoys.pdbqt | data/5F/5FE7-5WU/5FE7-5WU_decoy_scores.csv |
5FSN-6Q3 | data/5F/5FSN-6Q3/5FSN-6Q3_ligand.pdbqt | data/5F/5FSN-6Q3/5FSN-6Q3_target.pdbqt | data/5F/5FSN-6Q3/5FSN-6Q3_decoys.pdbqt | data/5F/5FSN-6Q3/5FSN-6Q3_decoy_scores.csv |
5FHQ-SAM | data/5F/5FHQ-SAM/5FHQ-SAM_ligand.pdbqt | data/5F/5FHQ-SAM/5FHQ-SAM_target.pdbqt | data/5F/5FHQ-SAM/5FHQ-SAM_decoys.pdbqt | data/5F/5FHQ-SAM/5FHQ-SAM_decoy_scores.csv |
5FHR-SAM | data/5F/5FHR-SAM/5FHR-SAM_ligand.pdbqt | data/5F/5FHR-SAM/5FHR-SAM_target.pdbqt | data/5F/5FHR-SAM/5FHR-SAM_decoys.pdbqt | data/5F/5FHR-SAM/5FHR-SAM_decoy_scores.csv |
5FYM-2HG | data/5F/5FYM-2HG/5FYM-2HG_ligand.pdbqt | data/5F/5FYM-2HG/5FYM-2HG_target.pdbqt | data/5F/5FYM-2HG/5FYM-2HG_decoys.pdbqt | data/5F/5FYM-2HG/5FYM-2HG_decoy_scores.csv |
5FTI-GLU | data/5F/5FTI-GLU/5FTI-GLU_ligand.pdbqt | data/5F/5FTI-GLU/5FTI-GLU_target.pdbqt | null | null |
5FV8-JEF | data/5F/5FV8-JEF/5FV8-JEF_ligand.pdbqt | data/5F/5FV8-JEF/5FV8-JEF_target.pdbqt | data/5F/5FV8-JEF/5FV8-JEF_decoys.pdbqt | data/5F/5FV8-JEF/5FV8-JEF_decoy_scores.csv |
5F1X-ATP | data/5F/5F1X-ATP/5F1X-ATP_ligand.pdbqt | data/5F/5F1X-ATP/5F1X-ATP_target.pdbqt | data/5F/5F1X-ATP/5F1X-ATP_decoys.pdbqt | data/5F/5F1X-ATP/5F1X-ATP_decoy_scores.csv |
5F0C-5TE | data/5F/5F0C-5TE/5F0C-5TE_ligand.pdbqt | data/5F/5F0C-5TE/5F0C-5TE_target.pdbqt | data/5F/5F0C-5TE/5F0C-5TE_decoys.pdbqt | data/5F/5F0C-5TE/5F0C-5TE_decoy_scores.csv |
5FVV-H65 | data/5F/5FVV-H65/5FVV-H65_ligand.pdbqt | data/5F/5FVV-H65/5FVV-H65_target.pdbqt | data/5F/5FVV-H65/5FVV-H65_decoys.pdbqt | data/5F/5FVV-H65/5FVV-H65_decoy_scores.csv |
5FR0-SIZ | data/5F/5FR0-SIZ/5FR0-SIZ_ligand.pdbqt | data/5F/5FR0-SIZ/5FR0-SIZ_target.pdbqt | data/5F/5FR0-SIZ/5FR0-SIZ_decoys.pdbqt | data/5F/5FR0-SIZ/5FR0-SIZ_decoy_scores.csv |
5FYG-12H | data/5F/5FYG-12H/5FYG-12H_ligand.pdbqt | data/5F/5FYG-12H/5FYG-12H_target.pdbqt | data/5F/5FYG-12H/5FYG-12H_decoys.pdbqt | data/5F/5FYG-12H/5FYG-12H_decoy_scores.csv |
5FAS-5VR | data/5F/5FAS-5VR/5FAS-5VR_ligand.pdbqt | data/5F/5FAS-5VR/5FAS-5VR_target.pdbqt | data/5F/5FAS-5VR/5FAS-5VR_decoys.pdbqt | data/5F/5FAS-5VR/5FAS-5VR_decoy_scores.csv |
5FP7-YC8 | data/5F/5FP7-YC8/5FP7-YC8_ligand.pdbqt | data/5F/5FP7-YC8/5FP7-YC8_target.pdbqt | data/5F/5FP7-YC8/5FP7-YC8_decoys.pdbqt | data/5F/5FP7-YC8/5FP7-YC8_decoy_scores.csv |
5F91-5WJ | data/5F/5F91-5WJ/5F91-5WJ_ligand.pdbqt | data/5F/5F91-5WJ/5F91-5WJ_target.pdbqt | data/5F/5F91-5WJ/5F91-5WJ_decoys.pdbqt | data/5F/5F91-5WJ/5F91-5WJ_decoy_scores.csv |
5F6V-5VL | data/5F/5F6V-5VL/5F6V-5VL_ligand.pdbqt | data/5F/5F6V-5VL/5F6V-5VL_target.pdbqt | data/5F/5F6V-5VL/5F6V-5VL_decoys.pdbqt | data/5F/5F6V-5VL/5F6V-5VL_decoy_scores.csv |
5FX2-FMN | data/5F/5FX2-FMN/5FX2-FMN_ligand.pdbqt | data/5F/5FX2-FMN/5FX2-FMN_target.pdbqt | data/5F/5FX2-FMN/5FX2-FMN_decoys.pdbqt | data/5F/5FX2-FMN/5FX2-FMN_decoy_scores.csv |
5FA5-MTA | data/5F/5FA5-MTA/5FA5-MTA_ligand.pdbqt | data/5F/5FA5-MTA/5FA5-MTA_target.pdbqt | data/5F/5FA5-MTA/5FA5-MTA_decoys.pdbqt | data/5F/5FA5-MTA/5FA5-MTA_decoy_scores.csv |
5FNG-YIE | data/5F/5FNG-YIE/5FNG-YIE_ligand.pdbqt | data/5F/5FNG-YIE/5FNG-YIE_target.pdbqt | data/5F/5FNG-YIE/5FNG-YIE_decoys.pdbqt | data/5F/5FNG-YIE/5FNG-YIE_decoy_scores.csv |
5FUN-GZA | data/5F/5FUN-GZA/5FUN-GZA_ligand.pdbqt | data/5F/5FUN-GZA/5FUN-GZA_target.pdbqt | data/5F/5FUN-GZA/5FUN-GZA_decoys.pdbqt | data/5F/5FUN-GZA/5FUN-GZA_decoy_scores.csv |
5FVO-D8H | data/5F/5FVO-D8H/5FVO-D8H_ligand.pdbqt | data/5F/5FVO-D8H/5FVO-D8H_target.pdbqt | data/5F/5FVO-D8H/5FVO-D8H_decoys.pdbqt | data/5F/5FVO-D8H/5FVO-D8H_decoy_scores.csv |
5FEP-41K | data/5F/5FEP-41K/5FEP-41K_ligand.pdbqt | data/5F/5FEP-41K/5FEP-41K_target.pdbqt | data/5F/5FEP-41K/5FEP-41K_decoys.pdbqt | data/5F/5FEP-41K/5FEP-41K_decoy_scores.csv |
5F2N-5UF | data/5F/5F2N-5UF/5F2N-5UF_ligand.pdbqt | data/5F/5F2N-5UF/5F2N-5UF_target.pdbqt | data/5F/5F2N-5UF/5F2N-5UF_decoys.pdbqt | data/5F/5F2N-5UF/5F2N-5UF_decoy_scores.csv |
5F23-NAD | data/5F/5F23-NAD/5F23-NAD_ligand.pdbqt | data/5F/5F23-NAD/5F23-NAD_target.pdbqt | data/5F/5F23-NAD/5F23-NAD_decoys.pdbqt | data/5F/5F23-NAD/5F23-NAD_decoy_scores.csv |
5FVZ-H4B | data/5F/5FVZ-H4B/5FVZ-H4B_ligand.pdbqt | data/5F/5FVZ-H4B/5FVZ-H4B_target.pdbqt | null | null |
5FSI-8DG | data/5F/5FSI-8DG/5FSI-8DG_ligand.pdbqt | data/5F/5FSI-8DG/5FSI-8DG_target.pdbqt | data/5F/5FSI-8DG/5FSI-8DG_decoys.pdbqt | data/5F/5FSI-8DG/5FSI-8DG_decoy_scores.csv |
5F0Z-FRU | data/5F/5F0Z-FRU/5F0Z-FRU_ligand.pdbqt | data/5F/5F0Z-FRU/5F0Z-FRU_target.pdbqt | data/5F/5F0Z-FRU/5F0Z-FRU_decoys.pdbqt | data/5F/5F0Z-FRU/5F0Z-FRU_decoy_scores.csv |
5FYU-BY4 | data/5F/5FYU-BY4/5FYU-BY4_ligand.pdbqt | data/5F/5FYU-BY4/5FYU-BY4_target.pdbqt | data/5F/5FYU-BY4/5FYU-BY4_decoys.pdbqt | data/5F/5FYU-BY4/5FYU-BY4_decoy_scores.csv |
5FA1-C5P | data/5F/5FA1-C5P/5FA1-C5P_ligand.pdbqt | data/5F/5FA1-C5P/5FA1-C5P_target.pdbqt | data/5F/5FA1-C5P/5FA1-C5P_decoys.pdbqt | data/5F/5FA1-C5P/5FA1-C5P_decoy_scores.csv |
5F29-2BA | data/5F/5F29-2BA/5F29-2BA_ligand.pdbqt | data/5F/5F29-2BA/5F29-2BA_target.pdbqt | data/5F/5F29-2BA/5F29-2BA_decoys.pdbqt | data/5F/5F29-2BA/5F29-2BA_decoy_scores.csv |
5FTF-ADP | data/5F/5FTF-ADP/5FTF-ADP_ligand.pdbqt | data/5F/5FTF-ADP/5FTF-ADP_target.pdbqt | data/5F/5FTF-ADP/5FTF-ADP_decoys.pdbqt | data/5F/5FTF-ADP/5FTF-ADP_decoy_scores.csv |
5FZA-80Q | data/5F/5FZA-80Q/5FZA-80Q_ligand.pdbqt | data/5F/5FZA-80Q/5FZA-80Q_target.pdbqt | data/5F/5FZA-80Q/5FZA-80Q_decoys.pdbqt | data/5F/5FZA-80Q/5FZA-80Q_decoy_scores.csv |
5F1R-42O | data/5F/5F1R-42O/5F1R-42O_ligand.pdbqt | data/5F/5F1R-42O/5F1R-42O_target.pdbqt | data/5F/5F1R-42O/5F1R-42O_decoys.pdbqt | data/5F/5F1R-42O/5F1R-42O_decoy_scores.csv |
5FA7-5VR | data/5F/5FA7-5VR/5FA7-5VR_ligand.pdbqt | data/5F/5FA7-5VR/5FA7-5VR_target.pdbqt | data/5F/5FA7-5VR/5FA7-5VR_decoys.pdbqt | data/5F/5FA7-5VR/5FA7-5VR_decoy_scores.csv |
5F84-UDP | data/5F/5F84-UDP/5F84-UDP_ligand.pdbqt | data/5F/5F84-UDP/5F84-UDP_target.pdbqt | data/5F/5F84-UDP/5F84-UDP_decoys.pdbqt | data/5F/5F84-UDP/5F84-UDP_decoy_scores.csv |
5FOI-MY8 | data/5F/5FOI-MY8/5FOI-MY8_ligand.pdbqt | data/5F/5FOI-MY8/5FOI-MY8_target.pdbqt | data/5F/5FOI-MY8/5FOI-MY8_decoys.pdbqt | data/5F/5FOI-MY8/5FOI-MY8_decoy_scores.csv |
5FS5-KGM | data/5F/5FS5-KGM/5FS5-KGM_ligand.pdbqt | data/5F/5FS5-KGM/5FS5-KGM_target.pdbqt | data/5F/5FS5-KGM/5FS5-KGM_decoys.pdbqt | data/5F/5FS5-KGM/5FS5-KGM_decoy_scores.csv |
5F0Z-ADP | data/5F/5F0Z-ADP/5F0Z-ADP_ligand.pdbqt | data/5F/5F0Z-ADP/5F0Z-ADP_target.pdbqt | data/5F/5F0Z-ADP/5F0Z-ADP_decoys.pdbqt | data/5F/5F0Z-ADP/5F0Z-ADP_decoy_scores.csv |
5FF2-CPS | data/5F/5FF2-CPS/5FF2-CPS_ligand.pdbqt | data/5F/5FF2-CPS/5FF2-CPS_target.pdbqt | data/5F/5FF2-CPS/5FF2-CPS_decoys.pdbqt | data/5F/5FF2-CPS/5FF2-CPS_decoy_scores.csv |
5F5E-SAH | data/5F/5F5E-SAH/5F5E-SAH_ligand.pdbqt | data/5F/5F5E-SAH/5F5E-SAH_target.pdbqt | data/5F/5F5E-SAH/5F5E-SAH_decoys.pdbqt | data/5F/5F5E-SAH/5F5E-SAH_decoy_scores.csv |
5FJ2-XEB | data/5F/5FJ2-XEB/5FJ2-XEB_ligand.pdbqt | data/5F/5FJ2-XEB/5FJ2-XEB_target.pdbqt | null | null |
5FWD-GJV | data/5F/5FWD-GJV/5FWD-GJV_ligand.pdbqt | data/5F/5FWD-GJV/5FWD-GJV_target.pdbqt | data/5F/5FWD-GJV/5FWD-GJV_decoys.pdbqt | data/5F/5FWD-GJV/5FWD-GJV_decoy_scores.csv |
5FH4-SPV | data/5F/5FH4-SPV/5FH4-SPV_ligand.pdbqt | data/5F/5FH4-SPV/5FH4-SPV_target.pdbqt | data/5F/5FH4-SPV/5FH4-SPV_decoys.pdbqt | data/5F/5FH4-SPV/5FH4-SPV_decoy_scores.csv |
5FBF-DCM | data/5F/5FBF-DCM/5FBF-DCM_ligand.pdbqt | data/5F/5FBF-DCM/5FBF-DCM_target.pdbqt | data/5F/5FBF-DCM/5FBF-DCM_decoys.pdbqt | data/5F/5FBF-DCM/5FBF-DCM_decoy_scores.csv |
5FI8-LDA | data/5F/5FI8-LDA/5FI8-LDA_ligand.pdbqt | data/5F/5FI8-LDA/5FI8-LDA_target.pdbqt | data/5F/5FI8-LDA/5FI8-LDA_decoys.pdbqt | data/5F/5FI8-LDA/5FI8-LDA_decoy_scores.csv |
5FLP-6J5 | data/5F/5FLP-6J5/5FLP-6J5_ligand.pdbqt | data/5F/5FLP-6J5/5FLP-6J5_target.pdbqt | data/5F/5FLP-6J5/5FLP-6J5_decoys.pdbqt | data/5F/5FLP-6J5/5FLP-6J5_decoy_scores.csv |
5F08-5TG | data/5F/5F08-5TG/5F08-5TG_ligand.pdbqt | data/5F/5F08-5TG/5F08-5TG_target.pdbqt | data/5F/5F08-5TG/5F08-5TG_decoys.pdbqt | data/5F/5F08-5TG/5F08-5TG_decoy_scores.csv |
1JT2-FER | data/1J/1JT2-FER/1JT2-FER_ligand.pdbqt | data/1J/1JT2-FER/1JT2-FER_target.pdbqt | data/1J/1JT2-FER/1JT2-FER_decoys.pdbqt | data/1J/1JT2-FER/1JT2-FER_decoy_scores.csv |
1JSZ-SAH | data/1J/1JSZ-SAH/1JSZ-SAH_ligand.pdbqt | data/1J/1JSZ-SAH/1JSZ-SAH_target.pdbqt | data/1J/1JSZ-SAH/1JSZ-SAH_decoys.pdbqt | data/1J/1JSZ-SAH/1JSZ-SAH_decoy_scores.csv |
1J20-AMP | data/1J/1J20-AMP/1J20-AMP_ligand.pdbqt | data/1J/1J20-AMP/1J20-AMP_target.pdbqt | data/1J/1J20-AMP/1J20-AMP_decoys.pdbqt | data/1J/1J20-AMP/1J20-AMP_decoy_scores.csv |
1J16-BEN | data/1J/1J16-BEN/1J16-BEN_ligand.pdbqt | data/1J/1J16-BEN/1J16-BEN_target.pdbqt | data/1J/1J16-BEN/1J16-BEN_decoys.pdbqt | data/1J/1J16-BEN/1J16-BEN_decoy_scores.csv |
1JCY-PEP | data/1J/1JCY-PEP/1JCY-PEP_ligand.pdbqt | data/1J/1JCY-PEP/1JCY-PEP_target.pdbqt | data/1J/1JCY-PEP/1JCY-PEP_decoys.pdbqt | data/1J/1JCY-PEP/1JCY-PEP_decoy_scores.csv |
1J3J-UMP | data/1J/1J3J-UMP/1J3J-UMP_ligand.pdbqt | data/1J/1J3J-UMP/1J3J-UMP_target.pdbqt | data/1J/1J3J-UMP/1J3J-UMP_decoys.pdbqt | data/1J/1J3J-UMP/1J3J-UMP_decoy_scores.csv |
1J3J-CP6 | data/1J/1J3J-CP6/1J3J-CP6_ligand.pdbqt | data/1J/1J3J-CP6/1J3J-CP6_target.pdbqt | data/1J/1J3J-CP6/1J3J-CP6_decoys.pdbqt | data/1J/1J3J-CP6/1J3J-CP6_decoy_scores.csv |
1JIV-UDP | data/1J/1JIV-UDP/1JIV-UDP_ligand.pdbqt | data/1J/1JIV-UDP/1JIV-UDP_target.pdbqt | data/1J/1JIV-UDP/1JIV-UDP_decoys.pdbqt | data/1J/1JIV-UDP/1JIV-UDP_decoy_scores.csv |
1JG2-ADN | data/1J/1JG2-ADN/1JG2-ADN_ligand.pdbqt | data/1J/1JG2-ADN/1JG2-ADN_target.pdbqt | data/1J/1JG2-ADN/1JG2-ADN_decoys.pdbqt | data/1J/1JG2-ADN/1JG2-ADN_decoy_scores.csv |
1JTQ-UMP | data/1J/1JTQ-UMP/1JTQ-UMP_ligand.pdbqt | data/1J/1JTQ-UMP/1JTQ-UMP_target.pdbqt | data/1J/1JTQ-UMP/1JTQ-UMP_decoys.pdbqt | data/1J/1JTQ-UMP/1JTQ-UMP_decoy_scores.csv |
1J8U-H4B | data/1J/1J8U-H4B/1J8U-H4B_ligand.pdbqt | data/1J/1J8U-H4B/1J8U-H4B_target.pdbqt | data/1J/1J8U-H4B/1J8U-H4B_decoys.pdbqt | data/1J/1J8U-H4B/1J8U-H4B_decoy_scores.csv |
1JCN-CPR | data/1J/1JCN-CPR/1JCN-CPR_ligand.pdbqt | data/1J/1JCN-CPR/1JCN-CPR_target.pdbqt | data/1J/1JCN-CPR/1JCN-CPR_decoys.pdbqt | data/1J/1JCN-CPR/1JCN-CPR_decoy_scores.csv |
1JIX-UDP | data/1J/1JIX-UDP/1JIX-UDP_ligand.pdbqt | data/1J/1JIX-UDP/1JIX-UDP_target.pdbqt | data/1J/1JIX-UDP/1JIX-UDP_decoys.pdbqt | data/1J/1JIX-UDP/1JIX-UDP_decoy_scores.csv |
1JVL-OPP | data/1J/1JVL-OPP/1JVL-OPP_ligand.pdbqt | data/1J/1JVL-OPP/1JVL-OPP_target.pdbqt | data/1J/1JVL-OPP/1JVL-OPP_decoys.pdbqt | data/1J/1JVL-OPP/1JVL-OPP_decoy_scores.csv |
1J49-NAD | data/1J/1J49-NAD/1J49-NAD_ligand.pdbqt | data/1J/1J49-NAD/1J49-NAD_target.pdbqt | data/1J/1J49-NAD/1J49-NAD_decoys.pdbqt | data/1J/1J49-NAD/1J49-NAD_decoy_scores.csv |
1JBW-ACQ | data/1J/1JBW-ACQ/1JBW-ACQ_ligand.pdbqt | data/1J/1JBW-ACQ/1JBW-ACQ_target.pdbqt | data/1J/1JBW-ACQ/1JBW-ACQ_decoys.pdbqt | data/1J/1JBW-ACQ/1JBW-ACQ_decoy_scores.csv |
1J17-ZEN | data/1J/1J17-ZEN/1J17-ZEN_ligand.pdbqt | data/1J/1J17-ZEN/1J17-ZEN_target.pdbqt | data/1J/1J17-ZEN/1J17-ZEN_decoys.pdbqt | data/1J/1J17-ZEN/1J17-ZEN_decoy_scores.csv |
1JMI-UMP | data/1J/1JMI-UMP/1JMI-UMP_ligand.pdbqt | data/1J/1JMI-UMP/1JMI-UMP_target.pdbqt | data/1J/1JMI-UMP/1JMI-UMP_decoys.pdbqt | data/1J/1JMI-UMP/1JMI-UMP_decoy_scores.csv |
1JQX-ORO | data/1J/1JQX-ORO/1JQX-ORO_ligand.pdbqt | data/1J/1JQX-ORO/1JQX-ORO_target.pdbqt | data/1J/1JQX-ORO/1JQX-ORO_decoys.pdbqt | data/1J/1JQX-ORO/1JQX-ORO_decoy_scores.csv |
1J4I-TST | data/1J/1J4I-TST/1J4I-TST_ligand.pdbqt | data/1J/1J4I-TST/1J4I-TST_target.pdbqt | data/1J/1J4I-TST/1J4I-TST_decoys.pdbqt | data/1J/1J4I-TST/1J4I-TST_decoy_scores.csv |
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