Datasets:

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
5Z20-NAI
data/5Z/5Z20-NAI/5Z20-NAI_ligand.pdbqt
data/5Z/5Z20-NAI/5Z20-NAI_target.pdbqt
data/5Z/5Z20-NAI/5Z20-NAI_decoys.pdbqt
data/5Z/5Z20-NAI/5Z20-NAI_decoy_scores.csv
5ZZA-ATP
data/5Z/5ZZA-ATP/5ZZA-ATP_ligand.pdbqt
data/5Z/5ZZA-ATP/5ZZA-ATP_target.pdbqt
data/5Z/5ZZA-ATP/5ZZA-ATP_decoys.pdbqt
data/5Z/5ZZA-ATP/5ZZA-ATP_decoy_scores.csv
5ZIM-RET
data/5Z/5ZIM-RET/5ZIM-RET_ligand.pdbqt
data/5Z/5ZIM-RET/5ZIM-RET_target.pdbqt
data/5Z/5ZIM-RET/5ZIM-RET_decoys.pdbqt
data/5Z/5ZIM-RET/5ZIM-RET_decoy_scores.csv
5Z85-CHD
data/5Z/5Z85-CHD/5Z85-CHD_ligand.pdbqt
data/5Z/5Z85-CHD/5Z85-CHD_target.pdbqt
data/5Z/5Z85-CHD/5Z85-CHD_decoys.pdbqt
data/5Z/5Z85-CHD/5Z85-CHD_decoy_scores.csv
5ZGP-ZZ7
data/5Z/5ZGP-ZZ7/5ZGP-ZZ7_ligand.pdbqt
data/5Z/5ZGP-ZZ7/5ZGP-ZZ7_target.pdbqt
data/5Z/5ZGP-ZZ7/5ZGP-ZZ7_decoys.pdbqt
data/5Z/5ZGP-ZZ7/5ZGP-ZZ7_decoy_scores.csv
5Z97-ZER
data/5Z/5Z97-ZER/5Z97-ZER_ligand.pdbqt
data/5Z/5Z97-ZER/5Z97-ZER_target.pdbqt
data/5Z/5Z97-ZER/5Z97-ZER_decoys.pdbqt
data/5Z/5Z97-ZER/5Z97-ZER_decoy_scores.csv
5Z44-GST
data/5Z/5Z44-GST/5Z44-GST_ligand.pdbqt
data/5Z/5Z44-GST/5Z44-GST_target.pdbqt
data/5Z/5Z44-GST/5Z44-GST_decoys.pdbqt
data/5Z/5Z44-GST/5Z44-GST_decoy_scores.csv
5Z5F-FUB
data/5Z/5Z5F-FUB/5Z5F-FUB_ligand.pdbqt
data/5Z/5Z5F-FUB/5Z5F-FUB_target.pdbqt
data/5Z/5Z5F-FUB/5Z5F-FUB_decoys.pdbqt
data/5Z/5Z5F-FUB/5Z5F-FUB_decoy_scores.csv
5ZMW-TG1
data/5Z/5ZMW-TG1/5ZMW-TG1_ligand.pdbqt
data/5Z/5ZMW-TG1/5ZMW-TG1_target.pdbqt
data/5Z/5ZMW-TG1/5ZMW-TG1_decoys.pdbqt
data/5Z/5ZMW-TG1/5ZMW-TG1_decoy_scores.csv
5Z0B-OCA
data/5Z/5Z0B-OCA/5Z0B-OCA_ligand.pdbqt
data/5Z/5Z0B-OCA/5Z0B-OCA_target.pdbqt
data/5Z/5Z0B-OCA/5Z0B-OCA_decoys.pdbqt
data/5Z/5Z0B-OCA/5Z0B-OCA_decoy_scores.csv
5ZJ1-YT4
data/5Z/5ZJ1-YT4/5ZJ1-YT4_ligand.pdbqt
data/5Z/5ZJ1-YT4/5ZJ1-YT4_target.pdbqt
data/5Z/5ZJ1-YT4/5ZJ1-YT4_decoys.pdbqt
data/5Z/5ZJ1-YT4/5ZJ1-YT4_decoy_scores.csv
5Z95-EGC
data/5Z/5Z95-EGC/5Z95-EGC_ligand.pdbqt
data/5Z/5Z95-EGC/5Z95-EGC_target.pdbqt
data/5Z/5Z95-EGC/5Z95-EGC_decoys.pdbqt
data/5Z/5Z95-EGC/5Z95-EGC_decoy_scores.csv
5Z6K-FOL
data/5Z/5Z6K-FOL/5Z6K-FOL_ligand.pdbqt
data/5Z/5Z6K-FOL/5Z6K-FOL_target.pdbqt
data/5Z/5Z6K-FOL/5Z6K-FOL_decoys.pdbqt
data/5Z/5Z6K-FOL/5Z6K-FOL_decoy_scores.csv
5ZER-HBI
data/5Z/5ZER-HBI/5ZER-HBI_ligand.pdbqt
data/5Z/5ZER-HBI/5ZER-HBI_target.pdbqt
data/5Z/5ZER-HBI/5ZER-HBI_decoys.pdbqt
data/5Z/5ZER-HBI/5ZER-HBI_decoy_scores.csv
5Z1B-SE2
data/5Z/5Z1B-SE2/5Z1B-SE2_ligand.pdbqt
data/5Z/5Z1B-SE2/5Z1B-SE2_target.pdbqt
data/5Z/5Z1B-SE2/5Z1B-SE2_decoys.pdbqt
data/5Z/5Z1B-SE2/5Z1B-SE2_decoy_scores.csv
5ZWA-ADP
data/5Z/5ZWA-ADP/5ZWA-ADP_ligand.pdbqt
data/5Z/5ZWA-ADP/5ZWA-ADP_target.pdbqt
data/5Z/5ZWA-ADP/5ZWA-ADP_decoys.pdbqt
data/5Z/5ZWA-ADP/5ZWA-ADP_decoy_scores.csv
5ZHR-KOK
data/5Z/5ZHR-KOK/5ZHR-KOK_ligand.pdbqt
data/5Z/5ZHR-KOK/5ZHR-KOK_target.pdbqt
data/5Z/5ZHR-KOK/5ZHR-KOK_decoys.pdbqt
data/5Z/5ZHR-KOK/5ZHR-KOK_decoy_scores.csv
5ZJ6-VSE
data/5Z/5ZJ6-VSE/5ZJ6-VSE_ligand.pdbqt
data/5Z/5ZJ6-VSE/5ZJ6-VSE_target.pdbqt
data/5Z/5ZJ6-VSE/5ZJ6-VSE_decoys.pdbqt
data/5Z/5ZJ6-VSE/5ZJ6-VSE_decoy_scores.csv
5ZCO-DMU
data/5Z/5ZCO-DMU/5ZCO-DMU_ligand.pdbqt
data/5Z/5ZCO-DMU/5ZCO-DMU_target.pdbqt
data/5Z/5ZCO-DMU/5ZCO-DMU_decoys.pdbqt
data/5Z/5ZCO-DMU/5ZCO-DMU_decoy_scores.csv
5Z2V-N
data/5Z/5Z2V-N/5Z2V-N_ligand.pdbqt
data/5Z/5Z2V-N/5Z2V-N_target.pdbqt
data/5Z/5Z2V-N/5Z2V-N_decoys.pdbqt
data/5Z/5Z2V-N/5Z2V-N_decoy_scores.csv
5ZF8-9BO
data/5Z/5ZF8-9BO/5ZF8-9BO_ligand.pdbqt
data/5Z/5ZF8-9BO/5ZF8-9BO_target.pdbqt
data/5Z/5ZF8-9BO/5ZF8-9BO_decoys.pdbqt
data/5Z/5ZF8-9BO/5ZF8-9BO_decoy_scores.csv
5ZB0-TYD
data/5Z/5ZB0-TYD/5ZB0-TYD_ligand.pdbqt
data/5Z/5ZB0-TYD/5ZB0-TYD_target.pdbqt
data/5Z/5ZB0-TYD/5ZB0-TYD_decoys.pdbqt
data/5Z/5ZB0-TYD/5ZB0-TYD_decoy_scores.csv
5ZFK-HBI
data/5Z/5ZFK-HBI/5ZFK-HBI_ligand.pdbqt
data/5Z/5ZFK-HBI/5ZFK-HBI_target.pdbqt
data/5Z/5ZFK-HBI/5ZFK-HBI_decoys.pdbqt
data/5Z/5ZFK-HBI/5ZFK-HBI_decoy_scores.csv
5ZZT-9NL
data/5Z/5ZZT-9NL/5ZZT-9NL_ligand.pdbqt
data/5Z/5ZZT-9NL/5ZZT-9NL_target.pdbqt
data/5Z/5ZZT-9NL/5ZZT-9NL_decoys.pdbqt
data/5Z/5ZZT-9NL/5ZZT-9NL_decoy_scores.csv
5Z4P-97O
data/5Z/5Z4P-97O/5Z4P-97O_ligand.pdbqt
data/5Z/5Z4P-97O/5Z4P-97O_target.pdbqt
data/5Z/5Z4P-97O/5Z4P-97O_decoys.pdbqt
data/5Z/5Z4P-97O/5Z4P-97O_decoy_scores.csv
5ZRH-C5P
data/5Z/5ZRH-C5P/5ZRH-C5P_ligand.pdbqt
data/5Z/5ZRH-C5P/5ZRH-C5P_target.pdbqt
data/5Z/5ZRH-C5P/5ZRH-C5P_decoys.pdbqt
data/5Z/5ZRH-C5P/5ZRH-C5P_decoy_scores.csv
5ZRK-DCP
data/5Z/5ZRK-DCP/5ZRK-DCP_ligand.pdbqt
data/5Z/5ZRK-DCP/5ZRK-DCP_target.pdbqt
data/5Z/5ZRK-DCP/5ZRK-DCP_decoys.pdbqt
data/5Z/5ZRK-DCP/5ZRK-DCP_decoy_scores.csv
5Z87-BEN
data/5Z/5Z87-BEN/5Z87-BEN_ligand.pdbqt
data/5Z/5Z87-BEN/5Z87-BEN_target.pdbqt
data/5Z/5Z87-BEN/5Z87-BEN_decoys.pdbqt
data/5Z/5Z87-BEN/5Z87-BEN_decoy_scores.csv
5ZLC-DGT
data/5Z/5ZLC-DGT/5ZLC-DGT_ligand.pdbqt
data/5Z/5ZLC-DGT/5ZLC-DGT_target.pdbqt
data/5Z/5ZLC-DGT/5ZLC-DGT_decoys.pdbqt
data/5Z/5ZLC-DGT/5ZLC-DGT_decoy_scores.csv
5ZFB-FMN
data/5Z/5ZFB-FMN/5ZFB-FMN_ligand.pdbqt
data/5Z/5ZFB-FMN/5ZFB-FMN_target.pdbqt
data/5Z/5ZFB-FMN/5ZFB-FMN_decoys.pdbqt
data/5Z/5ZFB-FMN/5ZFB-FMN_decoy_scores.csv
5ZRO-523
data/5Z/5ZRO-523/5ZRO-523_ligand.pdbqt
data/5Z/5ZRO-523/5ZRO-523_target.pdbqt
data/5Z/5ZRO-523/5ZRO-523_decoys.pdbqt
data/5Z/5ZRO-523/5ZRO-523_decoy_scores.csv
5ZVG-SAM
data/5Z/5ZVG-SAM/5ZVG-SAM_ligand.pdbqt
data/5Z/5ZVG-SAM/5ZVG-SAM_target.pdbqt
data/5Z/5ZVG-SAM/5ZVG-SAM_decoys.pdbqt
data/5Z/5ZVG-SAM/5ZVG-SAM_decoy_scores.csv
5Z2E-PDC
data/5Z/5Z2E-PDC/5Z2E-PDC_ligand.pdbqt
data/5Z/5Z2E-PDC/5Z2E-PDC_target.pdbqt
data/5Z/5Z2E-PDC/5Z2E-PDC_decoys.pdbqt
data/5Z/5Z2E-PDC/5Z2E-PDC_decoy_scores.csv
5ZUB-NAD
data/5Z/5ZUB-NAD/5ZUB-NAD_ligand.pdbqt
data/5Z/5ZUB-NAD/5ZUB-NAD_target.pdbqt
data/5Z/5ZUB-NAD/5ZUB-NAD_decoys.pdbqt
data/5Z/5ZUB-NAD/5ZUB-NAD_decoy_scores.csv
5ZZZ-173
data/5Z/5ZZZ-173/5ZZZ-173_ligand.pdbqt
data/5Z/5ZZZ-173/5ZZZ-173_target.pdbqt
data/5Z/5ZZZ-173/5ZZZ-173_decoys.pdbqt
data/5Z/5ZZZ-173/5ZZZ-173_decoy_scores.csv
5ZBK-AMP
data/5Z/5ZBK-AMP/5ZBK-AMP_ligand.pdbqt
data/5Z/5ZBK-AMP/5ZBK-AMP_target.pdbqt
data/5Z/5ZBK-AMP/5ZBK-AMP_decoys.pdbqt
data/5Z/5ZBK-AMP/5ZBK-AMP_decoy_scores.csv
5Z9Z-FLC
data/5Z/5Z9Z-FLC/5Z9Z-FLC_ligand.pdbqt
data/5Z/5Z9Z-FLC/5Z9Z-FLC_target.pdbqt
data/5Z/5Z9Z-FLC/5Z9Z-FLC_decoys.pdbqt
data/5Z/5Z9Z-FLC/5Z9Z-FLC_decoy_scores.csv
5ZVE-SAH
data/5Z/5ZVE-SAH/5ZVE-SAH_ligand.pdbqt
data/5Z/5ZVE-SAH/5ZVE-SAH_target.pdbqt
data/5Z/5ZVE-SAH/5ZVE-SAH_decoys.pdbqt
data/5Z/5ZVE-SAH/5ZVE-SAH_decoy_scores.csv
5Z0B-TRP
data/5Z/5Z0B-TRP/5Z0B-TRP_ligand.pdbqt
data/5Z/5Z0B-TRP/5Z0B-TRP_target.pdbqt
data/5Z/5Z0B-TRP/5Z0B-TRP_decoys.pdbqt
data/5Z/5Z0B-TRP/5Z0B-TRP_decoy_scores.csv
5ZDB-AR6
data/5Z/5ZDB-AR6/5ZDB-AR6_ligand.pdbqt
data/5Z/5ZDB-AR6/5ZDB-AR6_target.pdbqt
data/5Z/5ZDB-AR6/5ZDB-AR6_decoys.pdbqt
data/5Z/5ZDB-AR6/5ZDB-AR6_decoy_scores.csv
5ZYR-FMN
data/5Z/5ZYR-FMN/5ZYR-FMN_ligand.pdbqt
data/5Z/5ZYR-FMN/5ZYR-FMN_target.pdbqt
data/5Z/5ZYR-FMN/5ZYR-FMN_decoys.pdbqt
data/5Z/5ZYR-FMN/5ZYR-FMN_decoy_scores.csv
5ZS8-9JF
data/5Z/5ZS8-9JF/5ZS8-9JF_ligand.pdbqt
data/5Z/5ZS8-9JF/5ZS8-9JF_target.pdbqt
data/5Z/5ZS8-9JF/5ZS8-9JF_decoys.pdbqt
data/5Z/5ZS8-9JF/5ZS8-9JF_decoy_scores.csv
5ZJV-LXC
data/5Z/5ZJV-LXC/5ZJV-LXC_ligand.pdbqt
data/5Z/5ZJV-LXC/5ZJV-LXC_target.pdbqt
data/5Z/5ZJV-LXC/5ZJV-LXC_decoys.pdbqt
data/5Z/5ZJV-LXC/5ZJV-LXC_decoy_scores.csv
5ZX8-FLC
data/5Z/5ZX8-FLC/5ZX8-FLC_ligand.pdbqt
data/5Z/5ZX8-FLC/5ZX8-FLC_target.pdbqt
data/5Z/5ZX8-FLC/5ZX8-FLC_decoys.pdbqt
data/5Z/5ZX8-FLC/5ZX8-FLC_decoy_scores.csv
5ZCU-PYV
data/5Z/5ZCU-PYV/5ZCU-PYV_ligand.pdbqt
data/5Z/5ZCU-PYV/5ZCU-PYV_target.pdbqt
data/5Z/5ZCU-PYV/5ZCU-PYV_decoys.pdbqt
data/5Z/5ZCU-PYV/5ZCU-PYV_decoy_scores.csv
5Z69-AGS
data/5Z/5Z69-AGS/5Z69-AGS_ligand.pdbqt
data/5Z/5Z69-AGS/5Z69-AGS_target.pdbqt
data/5Z/5Z69-AGS/5Z69-AGS_decoys.pdbqt
data/5Z/5Z69-AGS/5Z69-AGS_decoy_scores.csv
5ZRS-9J6
data/5Z/5ZRS-9J6/5ZRS-9J6_ligand.pdbqt
data/5Z/5ZRS-9J6/5ZRS-9J6_target.pdbqt
data/5Z/5ZRS-9J6/5ZRS-9J6_decoys.pdbqt
data/5Z/5ZRS-9J6/5ZRS-9J6_decoy_scores.csv
5ZA7-HMX
data/5Z/5ZA7-HMX/5ZA7-HMX_ligand.pdbqt
data/5Z/5ZA7-HMX/5ZA7-HMX_target.pdbqt
data/5Z/5ZA7-HMX/5ZA7-HMX_decoys.pdbqt
data/5Z/5ZA7-HMX/5ZA7-HMX_decoy_scores.csv
5ZIL-L2P
data/5Z/5ZIL-L2P/5ZIL-L2P_ligand.pdbqt
data/5Z/5ZIL-L2P/5ZIL-L2P_target.pdbqt
data/5Z/5ZIL-L2P/5ZIL-L2P_decoys.pdbqt
data/5Z/5ZIL-L2P/5ZIL-L2P_decoy_scores.csv
5ZQN-IYP
data/5Z/5ZQN-IYP/5ZQN-IYP_ligand.pdbqt
data/5Z/5ZQN-IYP/5ZQN-IYP_target.pdbqt
data/5Z/5ZQN-IYP/5ZQN-IYP_decoys.pdbqt
data/5Z/5ZQN-IYP/5ZQN-IYP_decoy_scores.csv
5ZJ2-MCO
data/5Z/5ZJ2-MCO/5ZJ2-MCO_ligand.pdbqt
data/5Z/5ZJ2-MCO/5ZJ2-MCO_target.pdbqt
data/5Z/5ZJ2-MCO/5ZJ2-MCO_decoys.pdbqt
data/5Z/5ZJ2-MCO/5ZJ2-MCO_decoy_scores.csv
5ZOL-LW2
data/5Z/5ZOL-LW2/5ZOL-LW2_ligand.pdbqt
data/5Z/5ZOL-LW2/5ZOL-LW2_target.pdbqt
data/5Z/5ZOL-LW2/5ZOL-LW2_decoys.pdbqt
data/5Z/5ZOL-LW2/5ZOL-LW2_decoy_scores.csv
5Z1R-EFL
data/5Z/5Z1R-EFL/5Z1R-EFL_ligand.pdbqt
data/5Z/5Z1R-EFL/5Z1R-EFL_target.pdbqt
data/5Z/5Z1R-EFL/5Z1R-EFL_decoys.pdbqt
data/5Z/5Z1R-EFL/5Z1R-EFL_decoy_scores.csv
5ZXI-9LU
data/5Z/5ZXI-9LU/5ZXI-9LU_ligand.pdbqt
data/5Z/5ZXI-9LU/5ZXI-9LU_target.pdbqt
data/5Z/5ZXI-9LU/5ZXI-9LU_decoys.pdbqt
data/5Z/5ZXI-9LU/5ZXI-9LU_decoy_scores.csv
5ZZS-FMN
data/5Z/5ZZS-FMN/5ZZS-FMN_ligand.pdbqt
data/5Z/5ZZS-FMN/5ZZS-FMN_target.pdbqt
data/5Z/5ZZS-FMN/5ZZS-FMN_decoys.pdbqt
data/5Z/5ZZS-FMN/5ZZS-FMN_decoy_scores.csv
5ZQK-SAM
data/5Z/5ZQK-SAM/5ZQK-SAM_ligand.pdbqt
data/5Z/5ZQK-SAM/5ZQK-SAM_target.pdbqt
data/5Z/5ZQK-SAM/5ZQK-SAM_decoys.pdbqt
data/5Z/5ZQK-SAM/5ZQK-SAM_decoy_scores.csv
5ZQE-CES
data/5Z/5ZQE-CES/5ZQE-CES_ligand.pdbqt
data/5Z/5ZQE-CES/5ZQE-CES_target.pdbqt
data/5Z/5ZQE-CES/5ZQE-CES_decoys.pdbqt
data/5Z/5ZQE-CES/5ZQE-CES_decoy_scores.csv
5ZI4-NAD
data/5Z/5ZI4-NAD/5ZI4-NAD_ligand.pdbqt
data/5Z/5ZI4-NAD/5ZI4-NAD_target.pdbqt
data/5Z/5ZI4-NAD/5ZI4-NAD_decoys.pdbqt
data/5Z/5ZI4-NAD/5ZI4-NAD_decoy_scores.csv
5ZZ7-NAI
data/5Z/5ZZ7-NAI/5ZZ7-NAI_ligand.pdbqt
data/5Z/5ZZ7-NAI/5ZZ7-NAI_target.pdbqt
data/5Z/5ZZ7-NAI/5ZZ7-NAI_decoys.pdbqt
data/5Z/5ZZ7-NAI/5ZZ7-NAI_decoy_scores.csv
5Z0B-PLM
data/5Z/5Z0B-PLM/5Z0B-PLM_ligand.pdbqt
data/5Z/5Z0B-PLM/5Z0B-PLM_target.pdbqt
data/5Z/5Z0B-PLM/5Z0B-PLM_decoys.pdbqt
data/5Z/5Z0B-PLM/5Z0B-PLM_decoy_scores.csv
5ZYN-FMN
data/5Z/5ZYN-FMN/5ZYN-FMN_ligand.pdbqt
data/5Z/5ZYN-FMN/5ZYN-FMN_target.pdbqt
data/5Z/5ZYN-FMN/5ZYN-FMN_decoys.pdbqt
data/5Z/5ZYN-FMN/5ZYN-FMN_decoy_scores.csv
5ZTN-CUR
data/5Z/5ZTN-CUR/5ZTN-CUR_ligand.pdbqt
data/5Z/5ZTN-CUR/5ZTN-CUR_target.pdbqt
data/5Z/5ZTN-CUR/5ZTN-CUR_decoys.pdbqt
data/5Z/5ZTN-CUR/5ZTN-CUR_decoy_scores.csv
5ZZQ-FMN
data/5Z/5ZZQ-FMN/5ZZQ-FMN_ligand.pdbqt
data/5Z/5ZZQ-FMN/5ZZQ-FMN_target.pdbqt
data/5Z/5ZZQ-FMN/5ZZQ-FMN_decoys.pdbqt
data/5Z/5ZZQ-FMN/5ZZQ-FMN_decoy_scores.csv
5ZNQ-ADE
data/5Z/5ZNQ-ADE/5ZNQ-ADE_ligand.pdbqt
data/5Z/5ZNQ-ADE/5ZNQ-ADE_target.pdbqt
data/5Z/5ZNQ-ADE/5ZNQ-ADE_decoys.pdbqt
data/5Z/5ZNQ-ADE/5ZNQ-ADE_decoy_scores.csv
5Z4O-AX7
data/5Z/5Z4O-AX7/5Z4O-AX7_ligand.pdbqt
data/5Z/5Z4O-AX7/5Z4O-AX7_target.pdbqt
data/5Z/5Z4O-AX7/5Z4O-AX7_decoys.pdbqt
data/5Z/5Z4O-AX7/5Z4O-AX7_decoy_scores.csv
5ZF9-ORO
data/5Z/5ZF9-ORO/5ZF9-ORO_ligand.pdbqt
data/5Z/5ZF9-ORO/5ZF9-ORO_target.pdbqt
data/5Z/5ZF9-ORO/5ZF9-ORO_decoys.pdbqt
data/5Z/5ZF9-ORO/5ZF9-ORO_decoy_scores.csv
5ZK5-MGT
data/5Z/5ZK5-MGT/5ZK5-MGT_ligand.pdbqt
data/5Z/5ZK5-MGT/5ZK5-MGT_target.pdbqt
data/5Z/5ZK5-MGT/5ZK5-MGT_decoys.pdbqt
data/5Z/5ZK5-MGT/5ZK5-MGT_decoy_scores.csv
5Z5H-XYS
data/5Z/5Z5H-XYS/5Z5H-XYS_ligand.pdbqt
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