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 ⌀ |
|---|---|---|---|---|
1FPQ-SAM | data/1F/1FPQ-SAM/1FPQ-SAM_ligand.pdbqt | data/1F/1FPQ-SAM/1FPQ-SAM_target.pdbqt | data/1F/1FPQ-SAM/1FPQ-SAM_decoys.pdbqt | data/1F/1FPQ-SAM/1FPQ-SAM_decoy_scores.csv |
1FUI-FOC | data/1F/1FUI-FOC/1FUI-FOC_ligand.pdbqt | data/1F/1FUI-FOC/1FUI-FOC_target.pdbqt | data/1F/1FUI-FOC/1FUI-FOC_decoys.pdbqt | data/1F/1FUI-FOC/1FUI-FOC_decoy_scores.csv |
1FR8-GDU | data/1F/1FR8-GDU/1FR8-GDU_ligand.pdbqt | data/1F/1FR8-GDU/1FR8-GDU_target.pdbqt | data/1F/1FR8-GDU/1FR8-GDU_decoys.pdbqt | data/1F/1FR8-GDU/1FR8-GDU_decoy_scores.csv |
1FCN-LOR | data/1F/1FCN-LOR/1FCN-LOR_ligand.pdbqt | data/1F/1FCN-LOR/1FCN-LOR_target.pdbqt | data/1F/1FCN-LOR/1FCN-LOR_decoys.pdbqt | data/1F/1FCN-LOR/1FCN-LOR_decoy_scores.csv |
1FOI-14W | data/1F/1FOI-14W/1FOI-14W_ligand.pdbqt | data/1F/1FOI-14W/1FOI-14W_target.pdbqt | data/1F/1FOI-14W/1FOI-14W_decoys.pdbqt | data/1F/1FOI-14W/1FOI-14W_decoy_scores.csv |
1FPF-AMP | data/1F/1FPF-AMP/1FPF-AMP_ligand.pdbqt | data/1F/1FPF-AMP/1FPF-AMP_target.pdbqt | data/1F/1FPF-AMP/1FPF-AMP_decoys.pdbqt | data/1F/1FPF-AMP/1FPF-AMP_decoy_scores.csv |
1FKI-SB1 | data/1F/1FKI-SB1/1FKI-SB1_ligand.pdbqt | data/1F/1FKI-SB1/1FKI-SB1_target.pdbqt | data/1F/1FKI-SB1/1FKI-SB1_decoys.pdbqt | data/1F/1FKI-SB1/1FKI-SB1_decoy_scores.csv |
1FDS-EST | data/1F/1FDS-EST/1FDS-EST_ligand.pdbqt | data/1F/1FDS-EST/1FDS-EST_target.pdbqt | data/1F/1FDS-EST/1FDS-EST_decoys.pdbqt | data/1F/1FDS-EST/1FDS-EST_decoy_scores.csv |
1F9V-ADP | data/1F/1F9V-ADP/1F9V-ADP_ligand.pdbqt | data/1F/1F9V-ADP/1F9V-ADP_target.pdbqt | data/1F/1F9V-ADP/1F9V-ADP_decoys.pdbqt | data/1F/1F9V-ADP/1F9V-ADP_decoy_scores.csv |
1FMO-ADN | data/1F/1FMO-ADN/1FMO-ADN_ligand.pdbqt | data/1F/1FMO-ADN/1FMO-ADN_target.pdbqt | data/1F/1FMO-ADN/1FMO-ADN_decoys.pdbqt | data/1F/1FMO-ADN/1FMO-ADN_decoy_scores.csv |
1F7P-UDP | data/1F/1F7P-UDP/1F7P-UDP_ligand.pdbqt | data/1F/1F7P-UDP/1F7P-UDP_target.pdbqt | data/1F/1F7P-UDP/1F7P-UDP_decoys.pdbqt | data/1F/1F7P-UDP/1F7P-UDP_decoy_scores.csv |
1FDJ-G3P | data/1F/1FDJ-G3P/1FDJ-G3P_ligand.pdbqt | data/1F/1FDJ-G3P/1FDJ-G3P_target.pdbqt | data/1F/1FDJ-G3P/1FDJ-G3P_decoys.pdbqt | data/1F/1FDJ-G3P/1FDJ-G3P_decoy_scores.csv |
1FK1-DAO | data/1F/1FK1-DAO/1FK1-DAO_ligand.pdbqt | data/1F/1FK1-DAO/1FK1-DAO_target.pdbqt | data/1F/1FK1-DAO/1FK1-DAO_decoys.pdbqt | data/1F/1FK1-DAO/1FK1-DAO_decoy_scores.csv |
1FJS-Z34 | data/1F/1FJS-Z34/1FJS-Z34_ligand.pdbqt | data/1F/1FJS-Z34/1FJS-Z34_target.pdbqt | data/1F/1FJS-Z34/1FJS-Z34_decoys.pdbqt | data/1F/1FJS-Z34/1FJS-Z34_decoy_scores.csv |
1F0S-PR2 | data/1F/1F0S-PR2/1F0S-PR2_ligand.pdbqt | data/1F/1F0S-PR2/1F0S-PR2_target.pdbqt | data/1F/1F0S-PR2/1F0S-PR2_decoys.pdbqt | data/1F/1F0S-PR2/1F0S-PR2_decoy_scores.csv |
1FEN-AZE | data/1F/1FEN-AZE/1FEN-AZE_ligand.pdbqt | data/1F/1FEN-AZE/1FEN-AZE_target.pdbqt | data/1F/1FEN-AZE/1FEN-AZE_decoys.pdbqt | data/1F/1FEN-AZE/1FEN-AZE_decoy_scores.csv |
1FTK-KAI | data/1F/1FTK-KAI/1FTK-KAI_ligand.pdbqt | data/1F/1FTK-KAI/1FTK-KAI_target.pdbqt | data/1F/1FTK-KAI/1FTK-KAI_decoys.pdbqt | data/1F/1FTK-KAI/1FTK-KAI_decoy_scores.csv |
1FPL-AMP | data/1F/1FPL-AMP/1FPL-AMP_ligand.pdbqt | data/1F/1FPL-AMP/1FPL-AMP_target.pdbqt | null | null |
1FLM-FMN | data/1F/1FLM-FMN/1FLM-FMN_ligand.pdbqt | data/1F/1FLM-FMN/1FLM-FMN_target.pdbqt | data/1F/1FLM-FMN/1FLM-FMN_decoys.pdbqt | data/1F/1FLM-FMN/1FLM-FMN_decoy_scores.csv |
1FDJ-2FP | data/1F/1FDJ-2FP/1FDJ-2FP_ligand.pdbqt | data/1F/1FDJ-2FP/1FDJ-2FP_target.pdbqt | data/1F/1FDJ-2FP/1FDJ-2FP_decoys.pdbqt | data/1F/1FDJ-2FP/1FDJ-2FP_decoy_scores.csv |
1FM6-9CR | data/1F/1FM6-9CR/1FM6-9CR_ligand.pdbqt | data/1F/1FM6-9CR/1FM6-9CR_target.pdbqt | data/1F/1FM6-9CR/1FM6-9CR_decoys.pdbqt | data/1F/1FM6-9CR/1FM6-9CR_decoy_scores.csv |
1FPD-AMP | data/1F/1FPD-AMP/1FPD-AMP_ligand.pdbqt | data/1F/1FPD-AMP/1FPD-AMP_target.pdbqt | data/1F/1FPD-AMP/1FPD-AMP_decoys.pdbqt | data/1F/1FPD-AMP/1FPD-AMP_decoy_scores.csv |
1FPF-AHG | data/1F/1FPF-AHG/1FPF-AHG_ligand.pdbqt | data/1F/1FPF-AHG/1FPF-AHG_target.pdbqt | data/1F/1FPF-AHG/1FPF-AHG_decoys.pdbqt | data/1F/1FPF-AHG/1FPF-AHG_decoy_scores.csv |
1FMC-NAI | data/1F/1FMC-NAI/1FMC-NAI_ligand.pdbqt | data/1F/1FMC-NAI/1FMC-NAI_target.pdbqt | data/1F/1FMC-NAI/1FMC-NAI_decoys.pdbqt | data/1F/1FMC-NAI/1FMC-NAI_decoy_scores.csv |
1FCY-LMU | data/1F/1FCY-LMU/1FCY-LMU_ligand.pdbqt | data/1F/1FCY-LMU/1FCY-LMU_target.pdbqt | data/1F/1FCY-LMU/1FCY-LMU_decoys.pdbqt | data/1F/1FCY-LMU/1FCY-LMU_decoy_scores.csv |
1FCX-184 | data/1F/1FCX-184/1FCX-184_ligand.pdbqt | data/1F/1FCX-184/1FCX-184_target.pdbqt | data/1F/1FCX-184/1FCX-184_decoys.pdbqt | data/1F/1FCX-184/1FCX-184_decoy_scores.csv |
1FXV-PNN | data/1F/1FXV-PNN/1FXV-PNN_ligand.pdbqt | data/1F/1FXV-PNN/1FXV-PNN_target.pdbqt | data/1F/1FXV-PNN/1FXV-PNN_decoys.pdbqt | data/1F/1FXV-PNN/1FXV-PNN_decoy_scores.csv |
1F3F-D4T | data/1F/1F3F-D4T/1F3F-D4T_ligand.pdbqt | data/1F/1F3F-D4T/1F3F-D4T_target.pdbqt | data/1F/1F3F-D4T/1F3F-D4T_decoys.pdbqt | data/1F/1F3F-D4T/1F3F-D4T_decoy_scores.csv |
1FPU-PRC | data/1F/1FPU-PRC/1FPU-PRC_ligand.pdbqt | data/1F/1FPU-PRC/1FPU-PRC_target.pdbqt | data/1F/1FPU-PRC/1FPU-PRC_decoys.pdbqt | data/1F/1FPU-PRC/1FPU-PRC_decoy_scores.csv |
1FPG-AHG | data/1F/1FPG-AHG/1FPG-AHG_ligand.pdbqt | data/1F/1FPG-AHG/1FPG-AHG_target.pdbqt | data/1F/1FPG-AHG/1FPG-AHG_decoys.pdbqt | data/1F/1FPG-AHG/1FPG-AHG_decoy_scores.csv |
1F7R-UDP | data/1F/1F7R-UDP/1F7R-UDP_ligand.pdbqt | data/1F/1F7R-UDP/1F7R-UDP_target.pdbqt | data/1F/1F7R-UDP/1F7R-UDP_decoys.pdbqt | data/1F/1F7R-UDP/1F7R-UDP_decoy_scores.csv |
1FOP-ARG | data/1F/1FOP-ARG/1FOP-ARG_ligand.pdbqt | data/1F/1FOP-ARG/1FOP-ARG_target.pdbqt | data/1F/1FOP-ARG/1FOP-ARG_decoys.pdbqt | data/1F/1FOP-ARG/1FOP-ARG_decoy_scores.csv |
1F7B-NAV | data/1F/1F7B-NAV/1F7B-NAV_ligand.pdbqt | data/1F/1F7B-NAV/1F7B-NAV_target.pdbqt | data/1F/1F7B-NAV/1F7B-NAV_decoys.pdbqt | data/1F/1F7B-NAV/1F7B-NAV_decoy_scores.csv |
1FKX-PRH | data/1F/1FKX-PRH/1FKX-PRH_ligand.pdbqt | data/1F/1FKX-PRH/1FKX-PRH_target.pdbqt | data/1F/1FKX-PRH/1FKX-PRH_decoys.pdbqt | data/1F/1FKX-PRH/1FKX-PRH_decoy_scores.csv |
1FRO-GSB | data/1F/1FRO-GSB/1FRO-GSB_ligand.pdbqt | data/1F/1FRO-GSB/1FRO-GSB_target.pdbqt | data/1F/1FRO-GSB/1FRO-GSB_decoys.pdbqt | data/1F/1FRO-GSB/1FRO-GSB_decoy_scores.csv |
1FW9-PHB | data/1F/1FW9-PHB/1FW9-PHB_ligand.pdbqt | data/1F/1FW9-PHB/1FW9-PHB_target.pdbqt | data/1F/1FW9-PHB/1FW9-PHB_decoys.pdbqt | data/1F/1FW9-PHB/1FW9-PHB_decoy_scores.csv |
1F4Z-LI1 | data/1F/1F4Z-LI1/1F4Z-LI1_ligand.pdbqt | data/1F/1F4Z-LI1/1F4Z-LI1_target.pdbqt | data/1F/1F4Z-LI1/1F4Z-LI1_decoys.pdbqt | data/1F/1F4Z-LI1/1F4Z-LI1_decoy_scores.csv |
1FDT-EST | data/1F/1FDT-EST/1FDT-EST_ligand.pdbqt | data/1F/1FDT-EST/1FDT-EST_target.pdbqt | data/1F/1FDT-EST/1FDT-EST_decoys.pdbqt | data/1F/1FDT-EST/1FDT-EST_decoy_scores.csv |
1F52-ADP | data/1F/1F52-ADP/1F52-ADP_ligand.pdbqt | data/1F/1F52-ADP/1F52-ADP_target.pdbqt | data/1F/1F52-ADP/1F52-ADP_decoys.pdbqt | data/1F/1F52-ADP/1F52-ADP_decoy_scores.csv |
1FSA-F6P | data/1F/1FSA-F6P/1FSA-F6P_ligand.pdbqt | data/1F/1FSA-F6P/1FSA-F6P_target.pdbqt | data/1F/1FSA-F6P/1FSA-F6P_decoys.pdbqt | data/1F/1FSA-F6P/1FSA-F6P_decoy_scores.csv |
1FH0-0IW | data/1F/1FH0-0IW/1FH0-0IW_ligand.pdbqt | data/1F/1FH0-0IW/1FH0-0IW_target.pdbqt | data/1F/1FH0-0IW/1FH0-0IW_decoys.pdbqt | data/1F/1FH0-0IW/1FH0-0IW_decoy_scores.csv |
1FWK-ADP | data/1F/1FWK-ADP/1FWK-ADP_ligand.pdbqt | data/1F/1FWK-ADP/1FWK-ADP_target.pdbqt | data/1F/1FWK-ADP/1FWK-ADP_decoys.pdbqt | data/1F/1FWK-ADP/1FWK-ADP_decoy_scores.csv |
1FV0-9AR | data/1F/1FV0-9AR/1FV0-9AR_ligand.pdbqt | data/1F/1FV0-9AR/1FV0-9AR_target.pdbqt | data/1F/1FV0-9AR/1FV0-9AR_decoys.pdbqt | data/1F/1FV0-9AR/1FV0-9AR_decoy_scores.csv |
1FK5-OLA | data/1F/1FK5-OLA/1FK5-OLA_ligand.pdbqt | data/1F/1FK5-OLA/1FK5-OLA_target.pdbqt | data/1F/1FK5-OLA/1FK5-OLA_decoys.pdbqt | data/1F/1FK5-OLA/1FK5-OLA_decoy_scores.csv |
1FVX-FMN | data/1F/1FVX-FMN/1FVX-FMN_ligand.pdbqt | data/1F/1FVX-FMN/1FVX-FMN_target.pdbqt | data/1F/1FVX-FMN/1FVX-FMN_decoys.pdbqt | data/1F/1FVX-FMN/1FVX-FMN_decoy_scores.csv |
1FP4-HCA | data/1F/1FP4-HCA/1FP4-HCA_ligand.pdbqt | data/1F/1FP4-HCA/1FP4-HCA_target.pdbqt | null | null |
1F2B-VS3 | data/1F/1F2B-VS3/1F2B-VS3_ligand.pdbqt | data/1F/1F2B-VS3/1F2B-VS3_target.pdbqt | data/1F/1F2B-VS3/1F2B-VS3_decoys.pdbqt | data/1F/1F2B-VS3/1F2B-VS3_decoy_scores.csv |
1FY6-A5P | data/1F/1FY6-A5P/1FY6-A5P_ligand.pdbqt | data/1F/1FY6-A5P/1FY6-A5P_target.pdbqt | data/1F/1FY6-A5P/1FY6-A5P_decoys.pdbqt | data/1F/1FY6-A5P/1FY6-A5P_decoy_scores.csv |
1FP6-ADP | data/1F/1FP6-ADP/1FP6-ADP_ligand.pdbqt | data/1F/1FP6-ADP/1FP6-ADP_target.pdbqt | data/1F/1FP6-ADP/1FP6-ADP_decoys.pdbqt | data/1F/1FP6-ADP/1FP6-ADP_decoy_scores.csv |
1F2P-PHE | data/1F/1F2P-PHE/1F2P-PHE_ligand.pdbqt | data/1F/1F2P-PHE/1F2P-PHE_target.pdbqt | data/1F/1F2P-PHE/1F2P-PHE_decoys.pdbqt | data/1F/1F2P-PHE/1F2P-PHE_decoy_scores.csv |
1FLR-FLU | data/1F/1FLR-FLU/1FLR-FLU_ligand.pdbqt | data/1F/1FLR-FLU/1FLR-FLU_target.pdbqt | data/1F/1FLR-FLU/1FLR-FLU_decoys.pdbqt | data/1F/1FLR-FLU/1FLR-FLU_decoy_scores.csv |
1FKH-SBX | data/1F/1FKH-SBX/1FKH-SBX_ligand.pdbqt | data/1F/1FKH-SBX/1FKH-SBX_target.pdbqt | data/1F/1FKH-SBX/1FKH-SBX_decoys.pdbqt | data/1F/1FKH-SBX/1FKH-SBX_decoy_scores.csv |
1FWS-PEP | data/1F/1FWS-PEP/1FWS-PEP_ligand.pdbqt | data/1F/1FWS-PEP/1FWS-PEP_target.pdbqt | data/1F/1FWS-PEP/1FWS-PEP_decoys.pdbqt | data/1F/1FWS-PEP/1FWS-PEP_decoy_scores.csv |
1FCX-LMU | data/1F/1FCX-LMU/1FCX-LMU_ligand.pdbqt | data/1F/1FCX-LMU/1FCX-LMU_target.pdbqt | data/1F/1FCX-LMU/1FCX-LMU_decoys.pdbqt | data/1F/1FCX-LMU/1FCX-LMU_decoy_scores.csv |
1FUP-PMA | data/1F/1FUP-PMA/1FUP-PMA_ligand.pdbqt | data/1F/1FUP-PMA/1FUP-PMA_target.pdbqt | data/1F/1FUP-PMA/1FUP-PMA_decoys.pdbqt | data/1F/1FUP-PMA/1FUP-PMA_decoy_scores.csv |
1FG7-PMP | data/1F/1FG7-PMP/1FG7-PMP_ligand.pdbqt | data/1F/1FG7-PMP/1FG7-PMP_target.pdbqt | data/1F/1FG7-PMP/1FG7-PMP_decoys.pdbqt | data/1F/1FG7-PMP/1FG7-PMP_decoy_scores.csv |
1F6D-UDP | data/1F/1F6D-UDP/1F6D-UDP_ligand.pdbqt | data/1F/1F6D-UDP/1F6D-UDP_target.pdbqt | data/1F/1F6D-UDP/1F6D-UDP_decoys.pdbqt | data/1F/1F6D-UDP/1F6D-UDP_decoy_scores.csv |
1FJ9-F6P | data/1F/1FJ9-F6P/1FJ9-F6P_ligand.pdbqt | data/1F/1FJ9-F6P/1FJ9-F6P_target.pdbqt | data/1F/1FJ9-F6P/1FJ9-F6P_decoys.pdbqt | data/1F/1FJ9-F6P/1FJ9-F6P_decoy_scores.csv |
1F99-PEB | data/1F/1F99-PEB/1F99-PEB_ligand.pdbqt | data/1F/1F99-PEB/1F99-PEB_target.pdbqt | data/1F/1F99-PEB/1F99-PEB_decoys.pdbqt | data/1F/1F99-PEB/1F99-PEB_decoy_scores.csv |
1FLD-FMN | data/1F/1FLD-FMN/1FLD-FMN_ligand.pdbqt | data/1F/1FLD-FMN/1FLD-FMN_target.pdbqt | data/1F/1FLD-FMN/1FLD-FMN_decoys.pdbqt | data/1F/1FLD-FMN/1FLD-FMN_decoy_scores.csv |
1FPG-AMP | data/1F/1FPG-AMP/1FPG-AMP_ligand.pdbqt | data/1F/1FPG-AMP/1FPG-AMP_target.pdbqt | data/1F/1FPG-AMP/1FPG-AMP_decoys.pdbqt | data/1F/1FPG-AMP/1FPG-AMP_decoy_scores.csv |
1FHV-OSB | data/1F/1FHV-OSB/1FHV-OSB_ligand.pdbqt | data/1F/1FHV-OSB/1FHV-OSB_target.pdbqt | data/1F/1FHV-OSB/1FHV-OSB_decoys.pdbqt | data/1F/1FHV-OSB/1FHV-OSB_decoy_scores.csv |
1F4F-TP3 | data/1F/1F4F-TP3/1F4F-TP3_ligand.pdbqt | data/1F/1F4F-TP3/1F4F-TP3_target.pdbqt | data/1F/1F4F-TP3/1F4F-TP3_decoys.pdbqt | data/1F/1F4F-TP3/1F4F-TP3_decoy_scores.csv |
1FND-A2P | data/1F/1FND-A2P/1FND-A2P_ligand.pdbqt | data/1F/1FND-A2P/1FND-A2P_target.pdbqt | data/1F/1FND-A2P/1FND-A2P_decoys.pdbqt | data/1F/1FND-A2P/1FND-A2P_decoy_scores.csv |
1FW0-KAI | data/1F/1FW0-KAI/1FW0-KAI_ligand.pdbqt | data/1F/1FW0-KAI/1FW0-KAI_target.pdbqt | data/1F/1FW0-KAI/1FW0-KAI_decoys.pdbqt | data/1F/1FW0-KAI/1FW0-KAI_decoy_scores.csv |
1FTM-AMQ | data/1F/1FTM-AMQ/1FTM-AMQ_ligand.pdbqt | data/1F/1FTM-AMQ/1FTM-AMQ_target.pdbqt | data/1F/1FTM-AMQ/1FTM-AMQ_decoys.pdbqt | data/1F/1FTM-AMQ/1FTM-AMQ_decoy_scores.csv |
1FL3-SPB | data/1F/1FL3-SPB/1FL3-SPB_ligand.pdbqt | data/1F/1FL3-SPB/1FL3-SPB_target.pdbqt | data/1F/1FL3-SPB/1FL3-SPB_decoys.pdbqt | data/1F/1FL3-SPB/1FL3-SPB_decoy_scores.csv |
1F91-DKA | data/1F/1F91-DKA/1F91-DKA_ligand.pdbqt | data/1F/1F91-DKA/1F91-DKA_target.pdbqt | data/1F/1F91-DKA/1F91-DKA_decoys.pdbqt | data/1F/1F91-DKA/1F91-DKA_decoy_scores.csv |
1F8S-BE2 | data/1F/1F8S-BE2/1F8S-BE2_ligand.pdbqt | data/1F/1F8S-BE2/1F8S-BE2_target.pdbqt | data/1F/1F8S-BE2/1F8S-BE2_decoys.pdbqt | data/1F/1F8S-BE2/1F8S-BE2_decoy_scores.csv |
1FHD-XYP | data/1F/1FHD-XYP/1FHD-XYP_ligand.pdbqt | data/1F/1FHD-XYP/1FHD-XYP_target.pdbqt | data/1F/1FHD-XYP/1FHD-XYP_decoys.pdbqt | data/1F/1FHD-XYP/1FHD-XYP_decoy_scores.csv |
1FMW-ATP | data/1F/1FMW-ATP/1FMW-ATP_ligand.pdbqt | data/1F/1FMW-ATP/1FMW-ATP_target.pdbqt | data/1F/1FMW-ATP/1FMW-ATP_decoys.pdbqt | data/1F/1FMW-ATP/1FMW-ATP_decoy_scores.csv |
1FTW-GL5 | data/1F/1FTW-GL5/1FTW-GL5_ligand.pdbqt | data/1F/1FTW-GL5/1FTW-GL5_target.pdbqt | data/1F/1FTW-GL5/1FTW-GL5_decoys.pdbqt | data/1F/1FTW-GL5/1FTW-GL5_decoy_scores.csv |
1F4C-TP2 | data/1F/1F4C-TP2/1F4C-TP2_ligand.pdbqt | data/1F/1F4C-TP2/1F4C-TP2_target.pdbqt | data/1F/1F4C-TP2/1F4C-TP2_decoys.pdbqt | data/1F/1F4C-TP2/1F4C-TP2_decoy_scores.csv |
1FFU-CDP | data/1F/1FFU-CDP/1FFU-CDP_ligand.pdbqt | data/1F/1FFU-CDP/1FFU-CDP_target.pdbqt | data/1F/1FFU-CDP/1FFU-CDP_decoys.pdbqt | data/1F/1FFU-CDP/1FFU-CDP_decoy_scores.csv |
1FOP-H4B | data/1F/1FOP-H4B/1FOP-H4B_ligand.pdbqt | data/1F/1FOP-H4B/1FOP-H4B_target.pdbqt | data/1F/1FOP-H4B/1FOP-H4B_decoys.pdbqt | data/1F/1FOP-H4B/1FOP-H4B_decoy_scores.csv |
1F1V-DHY | data/1F/1F1V-DHY/1F1V-DHY_ligand.pdbqt | data/1F/1F1V-DHY/1F1V-DHY_target.pdbqt | data/1F/1F1V-DHY/1F1V-DHY_decoys.pdbqt | data/1F/1F1V-DHY/1F1V-DHY_decoy_scores.csv |
1FAK-FUC | data/1F/1FAK-FUC/1FAK-FUC_ligand.pdbqt | data/1F/1FAK-FUC/1FAK-FUC_target.pdbqt | data/1F/1FAK-FUC/1FAK-FUC_decoys.pdbqt | data/1F/1FAK-FUC/1FAK-FUC_decoy_scores.csv |
1F9W-ADP | data/1F/1F9W-ADP/1F9W-ADP_ligand.pdbqt | data/1F/1F9W-ADP/1F9W-ADP_target.pdbqt | data/1F/1F9W-ADP/1F9W-ADP_decoys.pdbqt | data/1F/1F9W-ADP/1F9W-ADP_decoy_scores.csv |
1FTH-A3P | data/1F/1FTH-A3P/1FTH-A3P_ligand.pdbqt | data/1F/1FTH-A3P/1FTH-A3P_target.pdbqt | data/1F/1FTH-A3P/1FTH-A3P_decoys.pdbqt | data/1F/1FTH-A3P/1FTH-A3P_decoy_scores.csv |
1F0Y-NAD | data/1F/1F0Y-NAD/1F0Y-NAD_ligand.pdbqt | data/1F/1F0Y-NAD/1F0Y-NAD_target.pdbqt | data/1F/1F0Y-NAD/1F0Y-NAD_decoys.pdbqt | data/1F/1F0Y-NAD/1F0Y-NAD_decoy_scores.csv |
1FYS-2GP | data/1F/1FYS-2GP/1FYS-2GP_ligand.pdbqt | data/1F/1FYS-2GP/1FYS-2GP_target.pdbqt | data/1F/1FYS-2GP/1FYS-2GP_decoys.pdbqt | data/1F/1FYS-2GP/1FYS-2GP_decoy_scores.csv |
1FG3-HSA | data/1F/1FG3-HSA/1FG3-HSA_ligand.pdbqt | data/1F/1FG3-HSA/1FG3-HSA_target.pdbqt | data/1F/1FG3-HSA/1FG3-HSA_decoys.pdbqt | data/1F/1FG3-HSA/1FG3-HSA_decoy_scores.csv |
1F74-NAY | data/1F/1F74-NAY/1F74-NAY_ligand.pdbqt | data/1F/1F74-NAY/1F74-NAY_target.pdbqt | data/1F/1F74-NAY/1F74-NAY_decoys.pdbqt | data/1F/1F74-NAY/1F74-NAY_decoy_scores.csv |
1FK0-DKA | data/1F/1FK0-DKA/1FK0-DKA_ligand.pdbqt | data/1F/1FK0-DKA/1FK0-DKA_target.pdbqt | data/1F/1FK0-DKA/1FK0-DKA_decoys.pdbqt | data/1F/1FK0-DKA/1FK0-DKA_decoy_scores.csv |
1FJ8-CER | data/1F/1FJ8-CER/1FJ8-CER_ligand.pdbqt | data/1F/1FJ8-CER/1FJ8-CER_target.pdbqt | data/1F/1FJ8-CER/1FJ8-CER_decoys.pdbqt | data/1F/1FJ8-CER/1FJ8-CER_decoy_scores.csv |
1FEL-FEN | data/1F/1FEL-FEN/1FEL-FEN_ligand.pdbqt | data/1F/1FEL-FEN/1FEL-FEN_target.pdbqt | data/1F/1FEL-FEN/1FEL-FEN_decoys.pdbqt | data/1F/1FEL-FEN/1FEL-FEN_decoy_scores.csv |
1FWM-CB3 | data/1F/1FWM-CB3/1FWM-CB3_ligand.pdbqt | data/1F/1FWM-CB3/1FWM-CB3_target.pdbqt | data/1F/1FWM-CB3/1FWM-CB3_decoys.pdbqt | data/1F/1FWM-CB3/1FWM-CB3_decoy_scores.csv |
1FCY-564 | data/1F/1FCY-564/1FCY-564_ligand.pdbqt | data/1F/1FCY-564/1FCY-564_target.pdbqt | data/1F/1FCY-564/1FCY-564_decoys.pdbqt | data/1F/1FCY-564/1FCY-564_decoy_scores.csv |
1FBH-AFP | data/1F/1FBH-AFP/1FBH-AFP_ligand.pdbqt | data/1F/1FBH-AFP/1FBH-AFP_target.pdbqt | data/1F/1FBH-AFP/1FBH-AFP_decoys.pdbqt | data/1F/1FBH-AFP/1FBH-AFP_decoy_scores.csv |
1FPI-AMP | data/1F/1FPI-AMP/1FPI-AMP_ligand.pdbqt | data/1F/1FPI-AMP/1FPI-AMP_target.pdbqt | data/1F/1FPI-AMP/1FPI-AMP_decoys.pdbqt | data/1F/1FPI-AMP/1FPI-AMP_decoy_scores.csv |
1FRP-AMP | data/1F/1FRP-AMP/1FRP-AMP_ligand.pdbqt | data/1F/1FRP-AMP/1FRP-AMP_target.pdbqt | data/1F/1FRP-AMP/1FRP-AMP_decoys.pdbqt | data/1F/1FRP-AMP/1FRP-AMP_decoy_scores.csv |
1F9H-PH2 | data/1F/1F9H-PH2/1F9H-PH2_ligand.pdbqt | data/1F/1F9H-PH2/1F9H-PH2_target.pdbqt | data/1F/1F9H-PH2/1F9H-PH2_decoys.pdbqt | data/1F/1F9H-PH2/1F9H-PH2_decoy_scores.csv |
1FU4-GL9 | data/1F/1FU4-GL9/1FU4-GL9_ligand.pdbqt | data/1F/1FU4-GL9/1FU4-GL9_target.pdbqt | data/1F/1FU4-GL9/1FU4-GL9_decoys.pdbqt | data/1F/1FU4-GL9/1FU4-GL9_decoy_scores.csv |
1F5N-GNP | data/1F/1F5N-GNP/1F5N-GNP_ligand.pdbqt | data/1F/1F5N-GNP/1F5N-GNP_target.pdbqt | data/1F/1F5N-GNP/1F5N-GNP_decoys.pdbqt | data/1F/1F5N-GNP/1F5N-GNP_decoy_scores.csv |
1F3L-SAH | data/1F/1F3L-SAH/1F3L-SAH_ligand.pdbqt | data/1F/1F3L-SAH/1F3L-SAH_target.pdbqt | data/1F/1F3L-SAH/1F3L-SAH_decoys.pdbqt | data/1F/1F3L-SAH/1F3L-SAH_decoy_scores.csv |
1FMJ-RTL | data/1F/1FMJ-RTL/1FMJ-RTL_ligand.pdbqt | data/1F/1FMJ-RTL/1FMJ-RTL_target.pdbqt | data/1F/1FMJ-RTL/1FMJ-RTL_decoys.pdbqt | data/1F/1FMJ-RTL/1FMJ-RTL_decoy_scores.csv |
1FDJ-13P | data/1F/1FDJ-13P/1FDJ-13P_ligand.pdbqt | data/1F/1FDJ-13P/1FDJ-13P_target.pdbqt | data/1F/1FDJ-13P/1FDJ-13P_decoys.pdbqt | data/1F/1FDJ-13P/1FDJ-13P_decoy_scores.csv |
1F5L-AMR | data/1F/1F5L-AMR/1F5L-AMR_ligand.pdbqt | data/1F/1F5L-AMR/1F5L-AMR_target.pdbqt | data/1F/1F5L-AMR/1F5L-AMR_decoys.pdbqt | data/1F/1F5L-AMR/1F5L-AMR_decoy_scores.csv |
1F28-UMP | data/1F/1F28-UMP/1F28-UMP_ligand.pdbqt | data/1F/1F28-UMP/1F28-UMP_target.pdbqt | data/1F/1F28-UMP/1F28-UMP_decoys.pdbqt | data/1F/1F28-UMP/1F28-UMP_decoy_scores.csv |
1FD0-254 | data/1F/1FD0-254/1FD0-254_ligand.pdbqt | data/1F/1FD0-254/1FD0-254_target.pdbqt | data/1F/1FD0-254/1FD0-254_decoys.pdbqt | data/1F/1FD0-254/1FD0-254_decoy_scores.csv |
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