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 ⌀ |
|---|---|---|---|---|
1CWQ-TRD | data/1C/1CWQ-TRD/1CWQ-TRD_ligand.pdbqt | data/1C/1CWQ-TRD/1CWQ-TRD_target.pdbqt | data/1C/1CWQ-TRD/1CWQ-TRD_decoys.pdbqt | data/1C/1CWQ-TRD/1CWQ-TRD_decoy_scores.csv |
1CL2-PPG | data/1C/1CL2-PPG/1CL2-PPG_ligand.pdbqt | data/1C/1CL2-PPG/1CL2-PPG_target.pdbqt | data/1C/1CL2-PPG/1CL2-PPG_decoys.pdbqt | data/1C/1CL2-PPG/1CL2-PPG_decoy_scores.csv |
1CDE-GAR | data/1C/1CDE-GAR/1CDE-GAR_ligand.pdbqt | data/1C/1CDE-GAR/1CDE-GAR_target.pdbqt | data/1C/1CDE-GAR/1CDE-GAR_decoys.pdbqt | data/1C/1CDE-GAR/1CDE-GAR_decoy_scores.csv |
1C5Y-ESP | data/1C/1C5Y-ESP/1C5Y-ESP_ligand.pdbqt | data/1C/1C5Y-ESP/1C5Y-ESP_target.pdbqt | data/1C/1C5Y-ESP/1C5Y-ESP_decoys.pdbqt | data/1C/1C5Y-ESP/1C5Y-ESP_decoy_scores.csv |
1CTU-ZEB | data/1C/1CTU-ZEB/1CTU-ZEB_ligand.pdbqt | data/1C/1CTU-ZEB/1CTU-ZEB_target.pdbqt | data/1C/1CTU-ZEB/1CTU-ZEB_decoys.pdbqt | data/1C/1CTU-ZEB/1CTU-ZEB_decoy_scores.csv |
1CC8-BEN | data/1C/1CC8-BEN/1CC8-BEN_ligand.pdbqt | data/1C/1CC8-BEN/1CC8-BEN_target.pdbqt | data/1C/1CC8-BEN/1CC8-BEN_decoys.pdbqt | data/1C/1CC8-BEN/1CC8-BEN_decoy_scores.csv |
1C1P-BAI | data/1C/1C1P-BAI/1C1P-BAI_ligand.pdbqt | data/1C/1C1P-BAI/1C1P-BAI_target.pdbqt | data/1C/1C1P-BAI/1C1P-BAI_decoys.pdbqt | data/1C/1C1P-BAI/1C1P-BAI_decoy_scores.csv |
1C8V-HE1 | data/1C/1C8V-HE1/1C8V-HE1_ligand.pdbqt | data/1C/1C8V-HE1/1C8V-HE1_target.pdbqt | data/1C/1C8V-HE1/1C8V-HE1_decoys.pdbqt | data/1C/1C8V-HE1/1C8V-HE1_decoy_scores.csv |
1C7Q-BE1 | data/1C/1C7Q-BE1/1C7Q-BE1_ligand.pdbqt | data/1C/1C7Q-BE1/1C7Q-BE1_target.pdbqt | data/1C/1C7Q-BE1/1C7Q-BE1_decoys.pdbqt | data/1C/1C7Q-BE1/1C7Q-BE1_decoy_scores.csv |
1CG4-GDP | data/1C/1CG4-GDP/1CG4-GDP_ligand.pdbqt | data/1C/1CG4-GDP/1CG4-GDP_target.pdbqt | data/1C/1CG4-GDP/1CG4-GDP_decoys.pdbqt | data/1C/1CG4-GDP/1CG4-GDP_decoy_scores.csv |
1C3E-GAR | data/1C/1C3E-GAR/1C3E-GAR_ligand.pdbqt | data/1C/1C3E-GAR/1C3E-GAR_target.pdbqt | data/1C/1C3E-GAR/1C3E-GAR_decoys.pdbqt | data/1C/1C3E-GAR/1C3E-GAR_decoy_scores.csv |
1CKP-PVB | data/1C/1CKP-PVB/1CKP-PVB_ligand.pdbqt | data/1C/1CKP-PVB/1CKP-PVB_target.pdbqt | data/1C/1CKP-PVB/1CKP-PVB_decoys.pdbqt | data/1C/1CKP-PVB/1CKP-PVB_decoy_scores.csv |
1CY2-TMP | data/1C/1CY2-TMP/1CY2-TMP_ligand.pdbqt | data/1C/1CY2-TMP/1CY2-TMP_target.pdbqt | data/1C/1CY2-TMP/1CY2-TMP_decoys.pdbqt | data/1C/1CY2-TMP/1CY2-TMP_decoy_scores.csv |
1C3W-SQU | data/1C/1C3W-SQU/1C3W-SQU_ligand.pdbqt | data/1C/1C3W-SQU/1C3W-SQU_target.pdbqt | data/1C/1C3W-SQU/1C3W-SQU_decoys.pdbqt | data/1C/1C3W-SQU/1C3W-SQU_decoy_scores.csv |
1CSB-EP0 | data/1C/1CSB-EP0/1CSB-EP0_ligand.pdbqt | data/1C/1CSB-EP0/1CSB-EP0_target.pdbqt | data/1C/1CSB-EP0/1CSB-EP0_decoys.pdbqt | data/1C/1CSB-EP0/1CSB-EP0_decoy_scores.csv |
1CQ8-PY6 | data/1C/1CQ8-PY6/1CQ8-PY6_ligand.pdbqt | data/1C/1CQ8-PY6/1CQ8-PY6_target.pdbqt | data/1C/1CQ8-PY6/1CQ8-PY6_decoys.pdbqt | data/1C/1CQ8-PY6/1CQ8-PY6_decoy_scores.csv |
1CY6-T3P | data/1C/1CY6-T3P/1CY6-T3P_ligand.pdbqt | data/1C/1CY6-T3P/1CY6-T3P_target.pdbqt | data/1C/1CY6-T3P/1CY6-T3P_decoys.pdbqt | data/1C/1CY6-T3P/1CY6-T3P_decoy_scores.csv |
1CDK-ANP | data/1C/1CDK-ANP/1CDK-ANP_ligand.pdbqt | data/1C/1CDK-ANP/1CDK-ANP_target.pdbqt | data/1C/1CDK-ANP/1CDK-ANP_decoys.pdbqt | data/1C/1CDK-ANP/1CDK-ANP_decoy_scores.csv |
1C80-GTP | data/1C/1C80-GTP/1C80-GTP_ligand.pdbqt | data/1C/1C80-GTP/1C80-GTP_target.pdbqt | data/1C/1C80-GTP/1C80-GTP_decoys.pdbqt | data/1C/1C80-GTP/1C80-GTP_decoy_scores.csv |
1C5O-BEN | data/1C/1C5O-BEN/1C5O-BEN_ligand.pdbqt | data/1C/1C5O-BEN/1C5O-BEN_target.pdbqt | data/1C/1C5O-BEN/1C5O-BEN_decoys.pdbqt | data/1C/1C5O-BEN/1C5O-BEN_decoy_scores.csv |
1C8R-LI1 | data/1C/1C8R-LI1/1C8R-LI1_ligand.pdbqt | data/1C/1C8R-LI1/1C8R-LI1_target.pdbqt | data/1C/1C8R-LI1/1C8R-LI1_decoys.pdbqt | data/1C/1C8R-LI1/1C8R-LI1_decoy_scores.csv |
1CTQ-GNP | data/1C/1CTQ-GNP/1CTQ-GNP_ligand.pdbqt | data/1C/1CTQ-GNP/1CTQ-GNP_target.pdbqt | data/1C/1CTQ-GNP/1CTQ-GNP_decoys.pdbqt | data/1C/1CTQ-GNP/1CTQ-GNP_decoy_scores.csv |
1C50-CHI | data/1C/1C50-CHI/1C50-CHI_ligand.pdbqt | data/1C/1C50-CHI/1C50-CHI_target.pdbqt | data/1C/1C50-CHI/1C50-CHI_decoys.pdbqt | data/1C/1C50-CHI/1C50-CHI_decoy_scores.csv |
1CH8-IMP | data/1C/1CH8-IMP/1CH8-IMP_ligand.pdbqt | data/1C/1CH8-IMP/1CH8-IMP_target.pdbqt | data/1C/1CH8-IMP/1CH8-IMP_decoys.pdbqt | data/1C/1CH8-IMP/1CH8-IMP_decoy_scores.csv |
1CC6-PHB | data/1C/1CC6-PHB/1CC6-PHB_ligand.pdbqt | data/1C/1CC6-PHB/1CC6-PHB_target.pdbqt | data/1C/1CC6-PHB/1CC6-PHB_decoys.pdbqt | data/1C/1CC6-PHB/1CC6-PHB_decoy_scores.csv |
1C2K-ABI | data/1C/1C2K-ABI/1C2K-ABI_ligand.pdbqt | data/1C/1C2K-ABI/1C2K-ABI_target.pdbqt | data/1C/1C2K-ABI/1C2K-ABI_decoys.pdbqt | data/1C/1C2K-ABI/1C2K-ABI_decoy_scores.csv |
1C2H-BAK | data/1C/1C2H-BAK/1C2H-BAK_ligand.pdbqt | data/1C/1C2H-BAK/1C2H-BAK_target.pdbqt | data/1C/1C2H-BAK/1C2H-BAK_decoys.pdbqt | data/1C/1C2H-BAK/1C2H-BAK_decoy_scores.csv |
1C3R-TSN | data/1C/1C3R-TSN/1C3R-TSN_ligand.pdbqt | data/1C/1C3R-TSN/1C3R-TSN_target.pdbqt | data/1C/1C3R-TSN/1C3R-TSN_decoys.pdbqt | data/1C/1C3R-TSN/1C3R-TSN_decoy_scores.csv |
1CEB-AMH | data/1C/1CEB-AMH/1CEB-AMH_ligand.pdbqt | data/1C/1CEB-AMH/1CEB-AMH_target.pdbqt | data/1C/1CEB-AMH/1CEB-AMH_decoys.pdbqt | data/1C/1CEB-AMH/1CEB-AMH_decoy_scores.csv |
1CGZ-STL | data/1C/1CGZ-STL/1CGZ-STL_ligand.pdbqt | data/1C/1CGZ-STL/1CGZ-STL_target.pdbqt | data/1C/1CGZ-STL/1CGZ-STL_decoys.pdbqt | data/1C/1CGZ-STL/1CGZ-STL_decoy_scores.csv |
1CG3-IMO | data/1C/1CG3-IMO/1CG3-IMO_ligand.pdbqt | data/1C/1CG3-IMO/1CG3-IMO_target.pdbqt | data/1C/1CG3-IMO/1CG3-IMO_decoys.pdbqt | data/1C/1CG3-IMO/1CG3-IMO_decoy_scores.csv |
1CLA-CLM | data/1C/1CLA-CLM/1CLA-CLM_ligand.pdbqt | data/1C/1CLA-CLM/1CLA-CLM_target.pdbqt | data/1C/1CLA-CLM/1CLA-CLM_decoys.pdbqt | data/1C/1CLA-CLM/1CLA-CLM_decoy_scores.csv |
1C1H-MMP | data/1C/1C1H-MMP/1C1H-MMP_ligand.pdbqt | data/1C/1C1H-MMP/1C1H-MMP_target.pdbqt | data/1C/1C1H-MMP/1C1H-MMP_decoys.pdbqt | data/1C/1C1H-MMP/1C1H-MMP_decoy_scores.csv |
1C9U-PQQ | data/1C/1C9U-PQQ/1C9U-PQQ_ligand.pdbqt | data/1C/1C9U-PQQ/1C9U-PQQ_target.pdbqt | data/1C/1C9U-PQQ/1C9U-PQQ_decoys.pdbqt | data/1C/1C9U-PQQ/1C9U-PQQ_decoy_scores.csv |
1C4U-IH1 | data/1C/1C4U-IH1/1C4U-IH1_ligand.pdbqt | data/1C/1C4U-IH1/1C4U-IH1_target.pdbqt | data/1C/1C4U-IH1/1C4U-IH1_decoys.pdbqt | data/1C/1C4U-IH1/1C4U-IH1_decoy_scores.csv |
1C4V-IH2 | data/1C/1C4V-IH2/1C4V-IH2_ligand.pdbqt | data/1C/1C4V-IH2/1C4V-IH2_target.pdbqt | data/1C/1C4V-IH2/1C4V-IH2_decoys.pdbqt | data/1C/1C4V-IH2/1C4V-IH2_decoy_scores.csv |
1CEG-CEP | data/1C/1CEG-CEP/1CEG-CEP_ligand.pdbqt | data/1C/1CEG-CEP/1CEG-CEP_target.pdbqt | data/1C/1CEG-CEP/1CEG-CEP_decoys.pdbqt | data/1C/1CEG-CEP/1CEG-CEP_decoy_scores.csv |
1C1N-BEN | data/1C/1C1N-BEN/1C1N-BEN_ligand.pdbqt | data/1C/1C1N-BEN/1C1N-BEN_target.pdbqt | data/1C/1C1N-BEN/1C1N-BEN_decoys.pdbqt | data/1C/1C1N-BEN/1C1N-BEN_decoy_scores.csv |
1CG3-GDP | data/1C/1CG3-GDP/1CG3-GDP_ligand.pdbqt | data/1C/1CG3-GDP/1CG3-GDP_target.pdbqt | data/1C/1CG3-GDP/1CG3-GDP_decoys.pdbqt | data/1C/1CG3-GDP/1CG3-GDP_decoy_scores.csv |
1CS4-FOK | data/1C/1CS4-FOK/1CS4-FOK_ligand.pdbqt | data/1C/1CS4-FOK/1CS4-FOK_target.pdbqt | data/1C/1CS4-FOK/1CS4-FOK_decoys.pdbqt | data/1C/1CS4-FOK/1CS4-FOK_decoy_scores.csv |
1C14-NAD | data/1C/1C14-NAD/1C14-NAD_ligand.pdbqt | data/1C/1C14-NAD/1C14-NAD_target.pdbqt | data/1C/1C14-NAD/1C14-NAD_decoys.pdbqt | data/1C/1C14-NAD/1C14-NAD_decoy_scores.csv |
1CY7-TMP | data/1C/1CY7-TMP/1CY7-TMP_ligand.pdbqt | data/1C/1CY7-TMP/1CY7-TMP_target.pdbqt | data/1C/1CY7-TMP/1CY7-TMP_decoys.pdbqt | data/1C/1CY7-TMP/1CY7-TMP_decoy_scores.csv |
1CGH-1ZG | data/1C/1CGH-1ZG/1CGH-1ZG_ligand.pdbqt | data/1C/1CGH-1ZG/1CGH-1ZG_target.pdbqt | data/1C/1CGH-1ZG/1CGH-1ZG_decoys.pdbqt | data/1C/1CGH-1ZG/1CGH-1ZG_decoy_scores.csv |
1CW1-ICT | data/1C/1CW1-ICT/1CW1-ICT_ligand.pdbqt | data/1C/1CW1-ICT/1CW1-ICT_target.pdbqt | data/1C/1CW1-ICT/1CW1-ICT_decoys.pdbqt | data/1C/1CW1-ICT/1CW1-ICT_decoy_scores.csv |
1CE8-IMP | data/1C/1CE8-IMP/1CE8-IMP_ligand.pdbqt | data/1C/1CE8-IMP/1CE8-IMP_target.pdbqt | data/1C/1CE8-IMP/1CE8-IMP_decoys.pdbqt | data/1C/1CE8-IMP/1CE8-IMP_decoy_scores.csv |
1C96-FLC | data/1C/1C96-FLC/1C96-FLC_ligand.pdbqt | data/1C/1C96-FLC/1C96-FLC_target.pdbqt | data/1C/1C96-FLC/1C96-FLC_decoys.pdbqt | data/1C/1C96-FLC/1C96-FLC_decoy_scores.csv |
1CY1-TMP | data/1C/1CY1-TMP/1CY1-TMP_ligand.pdbqt | data/1C/1CY1-TMP/1CY1-TMP_target.pdbqt | data/1C/1CY1-TMP/1CY1-TMP_decoys.pdbqt | data/1C/1CY1-TMP/1CY1-TMP_decoy_scores.csv |
1C87-OPA | data/1C/1C87-OPA/1C87-OPA_ligand.pdbqt | data/1C/1C87-OPA/1C87-OPA_target.pdbqt | data/1C/1C87-OPA/1C87-OPA_decoys.pdbqt | data/1C/1C87-OPA/1C87-OPA_decoy_scores.csv |
1CER-NAD | data/1C/1CER-NAD/1CER-NAD_ligand.pdbqt | data/1C/1CER-NAD/1CER-NAD_target.pdbqt | data/1C/1CER-NAD/1CER-NAD_decoys.pdbqt | data/1C/1CER-NAD/1CER-NAD_decoy_scores.csv |
1CA8-0KV | data/1C/1CA8-0KV/1CA8-0KV_ligand.pdbqt | data/1C/1CA8-0KV/1CA8-0KV_target.pdbqt | data/1C/1CA8-0KV/1CA8-0KV_decoys.pdbqt | data/1C/1CA8-0KV/1CA8-0KV_decoy_scores.csv |
1CBF-SAH | data/1C/1CBF-SAH/1CBF-SAH_ligand.pdbqt | data/1C/1CBF-SAH/1CBF-SAH_target.pdbqt | data/1C/1CBF-SAH/1CBF-SAH_decoys.pdbqt | data/1C/1CBF-SAH/1CBF-SAH_decoy_scores.csv |
1CE8-ADP | data/1C/1CE8-ADP/1CE8-ADP_ligand.pdbqt | data/1C/1CE8-ADP/1CE8-ADP_target.pdbqt | data/1C/1CE8-ADP/1CE8-ADP_decoys.pdbqt | data/1C/1CE8-ADP/1CE8-ADP_decoy_scores.csv |
1C3S-SHH | data/1C/1C3S-SHH/1C3S-SHH_ligand.pdbqt | data/1C/1C3S-SHH/1C3S-SHH_target.pdbqt | data/1C/1C3S-SHH/1C3S-SHH_decoys.pdbqt | data/1C/1C3S-SHH/1C3S-SHH_decoy_scores.csv |
1CML-PIN | data/1C/1CML-PIN/1CML-PIN_ligand.pdbqt | data/1C/1CML-PIN/1CML-PIN_target.pdbqt | data/1C/1CML-PIN/1CML-PIN_decoys.pdbqt | data/1C/1CML-PIN/1CML-PIN_decoy_scores.csv |
1C2E-BAK | data/1C/1C2E-BAK/1C2E-BAK_ligand.pdbqt | data/1C/1C2E-BAK/1C2E-BAK_target.pdbqt | data/1C/1C2E-BAK/1C2E-BAK_decoys.pdbqt | data/1C/1C2E-BAK/1C2E-BAK_decoy_scores.csv |
1CZA-GLC | data/1C/1CZA-GLC/1CZA-GLC_ligand.pdbqt | data/1C/1CZA-GLC/1CZA-GLC_target.pdbqt | data/1C/1CZA-GLC/1CZA-GLC_decoys.pdbqt | data/1C/1CZA-GLC/1CZA-GLC_decoy_scores.csv |
1CJB-IRP | data/1C/1CJB-IRP/1CJB-IRP_ligand.pdbqt | data/1C/1CJB-IRP/1CJB-IRP_target.pdbqt | data/1C/1CJB-IRP/1CJB-IRP_decoys.pdbqt | data/1C/1CJB-IRP/1CJB-IRP_decoy_scores.csv |
1C5C-TK4 | data/1C/1C5C-TK4/1C5C-TK4_ligand.pdbqt | data/1C/1C5C-TK4/1C5C-TK4_target.pdbqt | data/1C/1C5C-TK4/1C5C-TK4_decoys.pdbqt | data/1C/1C5C-TK4/1C5C-TK4_decoy_scores.csv |
1CEF-CEF | data/1C/1CEF-CEF/1CEF-CEF_ligand.pdbqt | data/1C/1CEF-CEF/1CEF-CEF_target.pdbqt | data/1C/1CEF-CEF/1CEF-CEF_decoys.pdbqt | data/1C/1CEF-CEF/1CEF-CEF_decoy_scores.csv |
1CMC-SAM | data/1C/1CMC-SAM/1CMC-SAM_ligand.pdbqt | data/1C/1CMC-SAM/1CMC-SAM_target.pdbqt | data/1C/1CMC-SAM/1CMC-SAM_decoys.pdbqt | data/1C/1CMC-SAM/1CMC-SAM_decoy_scores.csv |
1CZH-FMN | data/1C/1CZH-FMN/1CZH-FMN_ligand.pdbqt | data/1C/1CZH-FMN/1CZH-FMN_target.pdbqt | data/1C/1CZH-FMN/1CZH-FMN_decoys.pdbqt | data/1C/1CZH-FMN/1CZH-FMN_decoy_scores.csv |
1C2F-BAH | data/1C/1C2F-BAH/1C2F-BAH_ligand.pdbqt | data/1C/1C2F-BAH/1C2F-BAH_target.pdbqt | data/1C/1C2F-BAH/1C2F-BAH_decoys.pdbqt | data/1C/1C2F-BAH/1C2F-BAH_decoy_scores.csv |
1CWU-NAD | data/1C/1CWU-NAD/1CWU-NAD_ligand.pdbqt | data/1C/1CWU-NAD/1CWU-NAD_target.pdbqt | null | null |
1C8S-RET | data/1C/1C8S-RET/1C8S-RET_ligand.pdbqt | data/1C/1C8S-RET/1C8S-RET_target.pdbqt | data/1C/1C8S-RET/1C8S-RET_decoys.pdbqt | data/1C/1C8S-RET/1C8S-RET_decoy_scores.csv |
1C1D-PHE | data/1C/1C1D-PHE/1C1D-PHE_ligand.pdbqt | data/1C/1C1D-PHE/1C1D-PHE_target.pdbqt | data/1C/1C1D-PHE/1C1D-PHE_decoys.pdbqt | data/1C/1C1D-PHE/1C1D-PHE_decoy_scores.csv |
1C3O-GLN | data/1C/1C3O-GLN/1C3O-GLN_ligand.pdbqt | data/1C/1C3O-GLN/1C3O-GLN_target.pdbqt | data/1C/1C3O-GLN/1C3O-GLN_decoys.pdbqt | data/1C/1C3O-GLN/1C3O-GLN_decoy_scores.csv |
1CDE-DZF | data/1C/1CDE-DZF/1CDE-DZF_ligand.pdbqt | data/1C/1CDE-DZF/1CDE-DZF_target.pdbqt | data/1C/1CDE-DZF/1CDE-DZF_decoys.pdbqt | data/1C/1CDE-DZF/1CDE-DZF_decoy_scores.csv |
1CAQ-DPS | data/1C/1CAQ-DPS/1CAQ-DPS_ligand.pdbqt | data/1C/1CAQ-DPS/1CAQ-DPS_target.pdbqt | data/1C/1CAQ-DPS/1CAQ-DPS_decoys.pdbqt | data/1C/1CAQ-DPS/1CAQ-DPS_decoy_scores.csv |
1C7O-PPG | data/1C/1C7O-PPG/1C7O-PPG_ligand.pdbqt | data/1C/1C7O-PPG/1C7O-PPG_target.pdbqt | data/1C/1C7O-PPG/1C7O-PPG_decoys.pdbqt | data/1C/1C7O-PPG/1C7O-PPG_decoy_scores.csv |
1C14-TCL | data/1C/1C14-TCL/1C14-TCL_ligand.pdbqt | data/1C/1C14-TCL/1C14-TCL_target.pdbqt | data/1C/1C14-TCL/1C14-TCL_decoys.pdbqt | data/1C/1C14-TCL/1C14-TCL_decoy_scores.csv |
1C1B-GCA | data/1C/1C1B-GCA/1C1B-GCA_ligand.pdbqt | data/1C/1C1B-GCA/1C1B-GCA_target.pdbqt | data/1C/1C1B-GCA/1C1B-GCA_decoys.pdbqt | data/1C/1C1B-GCA/1C1B-GCA_decoy_scores.csv |
1CC7-BEN | data/1C/1CC7-BEN/1CC7-BEN_ligand.pdbqt | data/1C/1CC7-BEN/1CC7-BEN_target.pdbqt | data/1C/1CC7-BEN/1CC7-BEN_decoys.pdbqt | data/1C/1CC7-BEN/1CC7-BEN_decoy_scores.csv |
1CNW-EG1 | data/1C/1CNW-EG1/1CNW-EG1_ligand.pdbqt | data/1C/1CNW-EG1/1CNW-EG1_target.pdbqt | data/1C/1CNW-EG1/1CNW-EG1_decoys.pdbqt | data/1C/1CNW-EG1/1CNW-EG1_decoy_scores.csv |
1CT9-AMP | data/1C/1CT9-AMP/1CT9-AMP_ligand.pdbqt | data/1C/1CT9-AMP/1CT9-AMP_target.pdbqt | data/1C/1CT9-AMP/1CT9-AMP_decoys.pdbqt | data/1C/1CT9-AMP/1CT9-AMP_decoy_scores.csv |
1CNQ-F6P | data/1C/1CNQ-F6P/1CNQ-F6P_ligand.pdbqt | data/1C/1CNQ-F6P/1CNQ-F6P_target.pdbqt | data/1C/1CNQ-F6P/1CNQ-F6P_decoys.pdbqt | data/1C/1CNQ-F6P/1CNQ-F6P_decoy_scores.csv |
1C1D-NAI | data/1C/1C1D-NAI/1C1D-NAI_ligand.pdbqt | data/1C/1C1D-NAI/1C1D-NAI_target.pdbqt | data/1C/1C1D-NAI/1C1D-NAI_decoys.pdbqt | data/1C/1C1D-NAI/1C1D-NAI_decoy_scores.csv |
1CPS-CPM | data/1C/1CPS-CPM/1CPS-CPM_ligand.pdbqt | data/1C/1CPS-CPM/1CPS-CPM_target.pdbqt | data/1C/1CPS-CPM/1CPS-CPM_decoys.pdbqt | data/1C/1CPS-CPM/1CPS-CPM_decoy_scores.csv |
1C3X-8IG | data/1C/1C3X-8IG/1C3X-8IG_ligand.pdbqt | data/1C/1C3X-8IG/1C3X-8IG_target.pdbqt | data/1C/1C3X-8IG/1C3X-8IG_decoys.pdbqt | data/1C/1C3X-8IG/1C3X-8IG_decoy_scores.csv |
1CG6-MTA | data/1C/1CG6-MTA/1CG6-MTA_ligand.pdbqt | data/1C/1CG6-MTA/1CG6-MTA_target.pdbqt | data/1C/1CG6-MTA/1CG6-MTA_decoys.pdbqt | data/1C/1CG6-MTA/1CG6-MTA_decoy_scores.csv |
1CXZ-GSP | data/1C/1CXZ-GSP/1CXZ-GSP_ligand.pdbqt | data/1C/1CXZ-GSP/1CXZ-GSP_target.pdbqt | data/1C/1CXZ-GSP/1CXZ-GSP_decoys.pdbqt | data/1C/1CXZ-GSP/1CXZ-GSP_decoy_scores.csv |
1CI9-DFP | data/1C/1CI9-DFP/1CI9-DFP_ligand.pdbqt | data/1C/1CI9-DFP/1CI9-DFP_target.pdbqt | data/1C/1CI9-DFP/1CI9-DFP_decoys.pdbqt | data/1C/1CI9-DFP/1CI9-DFP_decoy_scores.csv |
1CRU-PQQ | data/1C/1CRU-PQQ/1CRU-PQQ_ligand.pdbqt | data/1C/1CRU-PQQ/1CRU-PQQ_target.pdbqt | data/1C/1CRU-PQQ/1CRU-PQQ_decoys.pdbqt | data/1C/1CRU-PQQ/1CRU-PQQ_decoy_scores.csv |
1C22-MF3 | data/1C/1C22-MF3/1C22-MF3_ligand.pdbqt | data/1C/1C22-MF3/1C22-MF3_target.pdbqt | data/1C/1C22-MF3/1C22-MF3_decoys.pdbqt | data/1C/1C22-MF3/1C22-MF3_decoy_scores.csv |
1CET-CLQ | data/1C/1CET-CLQ/1CET-CLQ_ligand.pdbqt | data/1C/1CET-CLQ/1CET-CLQ_target.pdbqt | data/1C/1CET-CLQ/1CET-CLQ_decoys.pdbqt | data/1C/1CET-CLQ/1CET-CLQ_decoy_scores.csv |
1C8L-BIN | data/1C/1C8L-BIN/1C8L-BIN_ligand.pdbqt | data/1C/1C8L-BIN/1C8L-BIN_target.pdbqt | data/1C/1C8L-BIN/1C8L-BIN_decoys.pdbqt | data/1C/1C8L-BIN/1C8L-BIN_decoy_scores.csv |
1C84-761 | data/1C/1C84-761/1C84-761_ligand.pdbqt | data/1C/1C84-761/1C84-761_target.pdbqt | data/1C/1C84-761/1C84-761_decoys.pdbqt | data/1C/1C84-761/1C84-761_decoy_scores.csv |
1C1Q-BAI | data/1C/1C1Q-BAI/1C1Q-BAI_ligand.pdbqt | data/1C/1C1Q-BAI/1C1Q-BAI_target.pdbqt | data/1C/1C1Q-BAI/1C1Q-BAI_decoys.pdbqt | data/1C/1C1Q-BAI/1C1Q-BAI_decoy_scores.csv |
1CZA-ADP | data/1C/1CZA-ADP/1CZA-ADP_ligand.pdbqt | data/1C/1CZA-ADP/1CZA-ADP_target.pdbqt | data/1C/1CZA-ADP/1CZA-ADP_decoys.pdbqt | data/1C/1CZA-ADP/1CZA-ADP_decoy_scores.csv |
1C81-FDQ | data/1C/1C81-FDQ/1C81-FDQ_ligand.pdbqt | data/1C/1C81-FDQ/1C81-FDQ_target.pdbqt | data/1C/1C81-FDQ/1C81-FDQ_decoys.pdbqt | data/1C/1C81-FDQ/1C81-FDQ_decoy_scores.csv |
1CG1-GDP | data/1C/1CG1-GDP/1CG1-GDP_ligand.pdbqt | data/1C/1CG1-GDP/1CG1-GDP_target.pdbqt | data/1C/1CG1-GDP/1CG1-GDP_decoys.pdbqt | data/1C/1CG1-GDP/1CG1-GDP_decoy_scores.csv |
1C2D-BAK | data/1C/1C2D-BAK/1C2D-BAK_ligand.pdbqt | data/1C/1C2D-BAK/1C2D-BAK_target.pdbqt | data/1C/1C2D-BAK/1C2D-BAK_decoys.pdbqt | data/1C/1C2D-BAK/1C2D-BAK_decoy_scores.csv |
1C29-HE1 | data/1C/1C29-HE1/1C29-HE1_ligand.pdbqt | data/1C/1C29-HE1/1C29-HE1_target.pdbqt | data/1C/1C29-HE1/1C29-HE1_decoys.pdbqt | data/1C/1C29-HE1/1C29-HE1_decoy_scores.csv |
1C3E-NHR | data/1C/1C3E-NHR/1C3E-NHR_ligand.pdbqt | data/1C/1C3E-NHR/1C3E-NHR_target.pdbqt | data/1C/1C3E-NHR/1C3E-NHR_decoys.pdbqt | data/1C/1C3E-NHR/1C3E-NHR_decoy_scores.csv |
1C88-OTA | data/1C/1C88-OTA/1C88-OTA_ligand.pdbqt | data/1C/1C88-OTA/1C88-OTA_target.pdbqt | data/1C/1C88-OTA/1C88-OTA_decoys.pdbqt | data/1C/1C88-OTA/1C88-OTA_decoy_scores.csv |
1CQ1-BGC | data/1C/1CQ1-BGC/1CQ1-BGC_ligand.pdbqt | data/1C/1CQ1-BGC/1CQ1-BGC_target.pdbqt | data/1C/1CQ1-BGC/1CQ1-BGC_decoys.pdbqt | data/1C/1CQ1-BGC/1CQ1-BGC_decoy_scores.csv |
1CBX-BZS | data/1C/1CBX-BZS/1CBX-BZS_ligand.pdbqt | data/1C/1CBX-BZS/1CBX-BZS_target.pdbqt | data/1C/1CBX-BZS/1CBX-BZS_decoys.pdbqt | data/1C/1CBX-BZS/1CBX-BZS_decoy_scores.csv |
1CS0-ADP | data/1C/1CS0-ADP/1CS0-ADP_ligand.pdbqt | data/1C/1CS0-ADP/1CS0-ADP_target.pdbqt | data/1C/1CS0-ADP/1CS0-ADP_decoys.pdbqt | data/1C/1CS0-ADP/1CS0-ADP_decoy_scores.csv |
1CQ7-PY5 | data/1C/1CQ7-PY5/1CQ7-PY5_ligand.pdbqt | data/1C/1CQ7-PY5/1CQ7-PY5_target.pdbqt | data/1C/1CQ7-PY5/1CQ7-PY5_decoys.pdbqt | data/1C/1CQ7-PY5/1CQ7-PY5_decoy_scores.csv |
1CVW-0GE | data/1C/1CVW-0GE/1CVW-0GE_ligand.pdbqt | data/1C/1CVW-0GE/1CVW-0GE_target.pdbqt | data/1C/1CVW-0GE/1CVW-0GE_decoys.pdbqt | data/1C/1CVW-0GE/1CVW-0GE_decoy_scores.csv |
1C9K-5GP | data/1C/1C9K-5GP/1C9K-5GP_ligand.pdbqt | data/1C/1C9K-5GP/1C9K-5GP_target.pdbqt | data/1C/1C9K-5GP/1C9K-5GP_decoys.pdbqt | data/1C/1C9K-5GP/1C9K-5GP_decoy_scores.csv |
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