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 ⌀ |
|---|---|---|---|---|
2CZL-XPE | data/2C/2CZL-XPE/2CZL-XPE_ligand.pdbqt | data/2C/2CZL-XPE/2CZL-XPE_target.pdbqt | data/2C/2CZL-XPE/2CZL-XPE_decoys.pdbqt | data/2C/2CZL-XPE/2CZL-XPE_decoy_scores.csv |
2CKM-AA7 | data/2C/2CKM-AA7/2CKM-AA7_ligand.pdbqt | data/2C/2CKM-AA7/2CKM-AA7_target.pdbqt | data/2C/2CKM-AA7/2CKM-AA7_decoys.pdbqt | data/2C/2CKM-AA7/2CKM-AA7_decoy_scores.csv |
2C1P-FNZ | data/2C/2C1P-FNZ/2C1P-FNZ_ligand.pdbqt | data/2C/2C1P-FNZ/2C1P-FNZ_target.pdbqt | data/2C/2C1P-FNZ/2C1P-FNZ_decoys.pdbqt | data/2C/2C1P-FNZ/2C1P-FNZ_decoy_scores.csv |
2CBU-CTS | data/2C/2CBU-CTS/2CBU-CTS_ligand.pdbqt | data/2C/2CBU-CTS/2CBU-CTS_target.pdbqt | data/2C/2CBU-CTS/2CBU-CTS_decoys.pdbqt | data/2C/2CBU-CTS/2CBU-CTS_decoy_scores.csv |
2CGX-3D3 | data/2C/2CGX-3D3/2CGX-3D3_ligand.pdbqt | data/2C/2CGX-3D3/2CGX-3D3_target.pdbqt | data/2C/2CGX-3D3/2CGX-3D3_decoys.pdbqt | data/2C/2CGX-3D3/2CGX-3D3_decoy_scores.csv |
2CE7-ADP | data/2C/2CE7-ADP/2CE7-ADP_ligand.pdbqt | data/2C/2CE7-ADP/2CE7-ADP_target.pdbqt | data/2C/2CE7-ADP/2CE7-ADP_decoys.pdbqt | data/2C/2CE7-ADP/2CE7-ADP_decoy_scores.csv |
2C8W-C7M | data/2C/2C8W-C7M/2C8W-C7M_ligand.pdbqt | data/2C/2C8W-C7M/2C8W-C7M_target.pdbqt | data/2C/2C8W-C7M/2C8W-C7M_decoys.pdbqt | data/2C/2C8W-C7M/2C8W-C7M_decoy_scores.csv |
2CHA-TSU | data/2C/2CHA-TSU/2CHA-TSU_ligand.pdbqt | data/2C/2CHA-TSU/2CHA-TSU_target.pdbqt | data/2C/2CHA-TSU/2CHA-TSU_decoys.pdbqt | data/2C/2CHA-TSU/2CHA-TSU_decoy_scores.csv |
2CVX-ADP | data/2C/2CVX-ADP/2CVX-ADP_ligand.pdbqt | data/2C/2CVX-ADP/2CVX-ADP_target.pdbqt | data/2C/2CVX-ADP/2CVX-ADP_decoys.pdbqt | data/2C/2CVX-ADP/2CVX-ADP_decoy_scores.csv |
2CW6-3HG | data/2C/2CW6-3HG/2CW6-3HG_ligand.pdbqt | data/2C/2CW6-3HG/2CW6-3HG_target.pdbqt | data/2C/2CW6-3HG/2CW6-3HG_decoys.pdbqt | data/2C/2CW6-3HG/2CW6-3HG_decoy_scores.csv |
2CNV-SSS | data/2C/2CNV-SSS/2CNV-SSS_ligand.pdbqt | data/2C/2CNV-SSS/2CNV-SSS_target.pdbqt | data/2C/2CNV-SSS/2CNV-SSS_decoys.pdbqt | data/2C/2CNV-SSS/2CNV-SSS_decoy_scores.csv |
2CNH-IZB | data/2C/2CNH-IZB/2CNH-IZB_ligand.pdbqt | data/2C/2CNH-IZB/2CNH-IZB_target.pdbqt | data/2C/2CNH-IZB/2CNH-IZB_decoys.pdbqt | data/2C/2CNH-IZB/2CNH-IZB_decoy_scores.csv |
2CTC-HFA | data/2C/2CTC-HFA/2CTC-HFA_ligand.pdbqt | data/2C/2CTC-HFA/2CTC-HFA_target.pdbqt | data/2C/2CTC-HFA/2CTC-HFA_decoys.pdbqt | data/2C/2CTC-HFA/2CTC-HFA_decoy_scores.csv |
2C84-C | data/2C/2C84-C/2C84-C_ligand.pdbqt | data/2C/2C84-C/2C84-C_target.pdbqt | data/2C/2C84-C/2C84-C_decoys.pdbqt | data/2C/2C84-C/2C84-C_decoy_scores.csv |
2CLC-GTP | data/2C/2CLC-GTP/2CLC-GTP_ligand.pdbqt | data/2C/2CLC-GTP/2CLC-GTP_target.pdbqt | data/2C/2CLC-GTP/2CLC-GTP_decoys.pdbqt | data/2C/2CLC-GTP/2CLC-GTP_decoy_scores.csv |
2CGF-P2N | data/2C/2CGF-P2N/2CGF-P2N_ligand.pdbqt | data/2C/2CGF-P2N/2CGF-P2N_target.pdbqt | data/2C/2CGF-P2N/2CGF-P2N_decoys.pdbqt | data/2C/2CGF-P2N/2CGF-P2N_decoy_scores.csv |
2CHU-ECA | data/2C/2CHU-ECA/2CHU-ECA_ligand.pdbqt | data/2C/2CHU-ECA/2CHU-ECA_target.pdbqt | data/2C/2CHU-ECA/2CHU-ECA_decoys.pdbqt | data/2C/2CHU-ECA/2CHU-ECA_decoy_scores.csv |
2CJP-VPR | data/2C/2CJP-VPR/2CJP-VPR_ligand.pdbqt | data/2C/2CJP-VPR/2CJP-VPR_target.pdbqt | data/2C/2CJP-VPR/2CJP-VPR_decoys.pdbqt | data/2C/2CJP-VPR/2CJP-VPR_decoy_scores.csv |
2C4J-GSO | data/2C/2C4J-GSO/2C4J-GSO_ligand.pdbqt | data/2C/2C4J-GSO/2C4J-GSO_target.pdbqt | data/2C/2C4J-GSO/2C4J-GSO_decoys.pdbqt | data/2C/2C4J-GSO/2C4J-GSO_decoy_scores.csv |
2C77-GNP | data/2C/2C77-GNP/2C77-GNP_ligand.pdbqt | data/2C/2C77-GNP/2C77-GNP_target.pdbqt | data/2C/2C77-GNP/2C77-GNP_decoys.pdbqt | data/2C/2C77-GNP/2C77-GNP_decoy_scores.csv |
2CNW-GDP | data/2C/2CNW-GDP/2CNW-GDP_ligand.pdbqt | data/2C/2CNW-GDP/2CNW-GDP_target.pdbqt | null | null |
2C4F-GIL | data/2C/2C4F-GIL/2C4F-GIL_ligand.pdbqt | data/2C/2C4F-GIL/2C4F-GIL_target.pdbqt | data/2C/2C4F-GIL/2C4F-GIL_decoys.pdbqt | data/2C/2C4F-GIL/2C4F-GIL_decoy_scores.csv |
2CVX-DGT | data/2C/2CVX-DGT/2CVX-DGT_ligand.pdbqt | data/2C/2CVX-DGT/2CVX-DGT_target.pdbqt | data/2C/2CVX-DGT/2CVX-DGT_decoys.pdbqt | data/2C/2CVX-DGT/2CVX-DGT_decoy_scores.csv |
2CMC-DFM | data/2C/2CMC-DFM/2CMC-DFM_ligand.pdbqt | data/2C/2CMC-DFM/2CMC-DFM_target.pdbqt | data/2C/2CMC-DFM/2CMC-DFM_decoys.pdbqt | data/2C/2CMC-DFM/2CMC-DFM_decoy_scores.csv |
2C3P-1TP | data/2C/2C3P-1TP/2C3P-1TP_ligand.pdbqt | data/2C/2C3P-1TP/2C3P-1TP_target.pdbqt | data/2C/2C3P-1TP/2C3P-1TP_decoys.pdbqt | data/2C/2C3P-1TP/2C3P-1TP_decoy_scores.csv |
2CVD-HQL | data/2C/2CVD-HQL/2CVD-HQL_ligand.pdbqt | data/2C/2CVD-HQL/2CVD-HQL_target.pdbqt | data/2C/2CVD-HQL/2CVD-HQL_decoys.pdbqt | data/2C/2CVD-HQL/2CVD-HQL_decoy_scores.csv |
2CNE-DFJ | data/2C/2CNE-DFJ/2CNE-DFJ_ligand.pdbqt | data/2C/2CNE-DFJ/2CNE-DFJ_target.pdbqt | data/2C/2CNE-DFJ/2CNE-DFJ_decoys.pdbqt | data/2C/2CNE-DFJ/2CNE-DFJ_decoy_scores.csv |
2C7V-MTX | data/2C/2C7V-MTX/2C7V-MTX_ligand.pdbqt | data/2C/2C7V-MTX/2C7V-MTX_target.pdbqt | null | null |
2CMB-F17 | data/2C/2CMB-F17/2CMB-F17_ligand.pdbqt | data/2C/2CMB-F17/2CMB-F17_target.pdbqt | data/2C/2CMB-F17/2CMB-F17_decoys.pdbqt | data/2C/2CMB-F17/2CMB-F17_decoy_scores.csv |
2C2N-AE4 | data/2C/2C2N-AE4/2C2N-AE4_ligand.pdbqt | data/2C/2C2N-AE4/2C2N-AE4_target.pdbqt | data/2C/2C2N-AE4/2C2N-AE4_decoys.pdbqt | data/2C/2C2N-AE4/2C2N-AE4_decoy_scores.csv |
2C3Y-HTL | data/2C/2C3Y-HTL/2C3Y-HTL_ligand.pdbqt | data/2C/2C3Y-HTL/2C3Y-HTL_target.pdbqt | data/2C/2C3Y-HTL/2C3Y-HTL_decoys.pdbqt | data/2C/2C3Y-HTL/2C3Y-HTL_decoy_scores.csv |
2C6E-HPM | data/2C/2C6E-HPM/2C6E-HPM_ligand.pdbqt | data/2C/2C6E-HPM/2C6E-HPM_target.pdbqt | data/2C/2C6E-HPM/2C6E-HPM_decoys.pdbqt | data/2C/2C6E-HPM/2C6E-HPM_decoy_scores.csv |
2CYY-GLN | data/2C/2CYY-GLN/2CYY-GLN_ligand.pdbqt | data/2C/2CYY-GLN/2CYY-GLN_target.pdbqt | data/2C/2CYY-GLN/2CYY-GLN_decoys.pdbqt | data/2C/2CYY-GLN/2CYY-GLN_decoy_scores.csv |
2CMA-F20 | data/2C/2CMA-F20/2CMA-F20_ligand.pdbqt | data/2C/2CMA-F20/2CMA-F20_target.pdbqt | data/2C/2CMA-F20/2CMA-F20_decoys.pdbqt | data/2C/2CMA-F20/2CMA-F20_decoy_scores.csv |
2CGJ-LFR | data/2C/2CGJ-LFR/2CGJ-LFR_ligand.pdbqt | data/2C/2CGJ-LFR/2CGJ-LFR_target.pdbqt | data/2C/2CGJ-LFR/2CGJ-LFR_decoys.pdbqt | data/2C/2CGJ-LFR/2CGJ-LFR_decoy_scores.csv |
2C0I-L1G | data/2C/2C0I-L1G/2C0I-L1G_ligand.pdbqt | data/2C/2C0I-L1G/2C0I-L1G_target.pdbqt | data/2C/2C0I-L1G/2C0I-L1G_decoys.pdbqt | data/2C/2C0I-L1G/2C0I-L1G_decoy_scores.csv |
2CJD-LYS | data/2C/2CJD-LYS/2CJD-LYS_ligand.pdbqt | data/2C/2CJD-LYS/2CJD-LYS_target.pdbqt | data/2C/2CJD-LYS/2CJD-LYS_decoys.pdbqt | data/2C/2CJD-LYS/2CJD-LYS_decoy_scores.csv |
2CZF-XMP | data/2C/2CZF-XMP/2CZF-XMP_ligand.pdbqt | data/2C/2CZF-XMP/2CZF-XMP_target.pdbqt | data/2C/2CZF-XMP/2CZF-XMP_decoys.pdbqt | data/2C/2CZF-XMP/2CZF-XMP_decoy_scores.csv |
2C5O-CK2 | data/2C/2C5O-CK2/2C5O-CK2_ligand.pdbqt | data/2C/2C5O-CK2/2C5O-CK2_target.pdbqt | data/2C/2C5O-CK2/2C5O-CK2_decoys.pdbqt | data/2C/2C5O-CK2/2C5O-CK2_decoy_scores.csv |
2CES-GIM | data/2C/2CES-GIM/2CES-GIM_ligand.pdbqt | data/2C/2CES-GIM/2CES-GIM_target.pdbqt | data/2C/2CES-GIM/2CES-GIM_decoys.pdbqt | data/2C/2CES-GIM/2CES-GIM_decoy_scores.csv |
2C7X-NRB | data/2C/2C7X-NRB/2C7X-NRB_ligand.pdbqt | data/2C/2C7X-NRB/2C7X-NRB_target.pdbqt | data/2C/2C7X-NRB/2C7X-NRB_decoys.pdbqt | data/2C/2C7X-NRB/2C7X-NRB_decoy_scores.csv |
2CFH-PLM | data/2C/2CFH-PLM/2CFH-PLM_ligand.pdbqt | data/2C/2CFH-PLM/2CFH-PLM_target.pdbqt | data/2C/2CFH-PLM/2CFH-PLM_decoys.pdbqt | data/2C/2CFH-PLM/2CFH-PLM_decoy_scores.csv |
2CYB-TYR | data/2C/2CYB-TYR/2CYB-TYR_ligand.pdbqt | data/2C/2CYB-TYR/2CYB-TYR_target.pdbqt | data/2C/2CYB-TYR/2CYB-TYR_decoys.pdbqt | data/2C/2CYB-TYR/2CYB-TYR_decoy_scores.csv |
2C5E-GDD | data/2C/2C5E-GDD/2C5E-GDD_ligand.pdbqt | data/2C/2C5E-GDD/2C5E-GDD_target.pdbqt | data/2C/2C5E-GDD/2C5E-GDD_decoys.pdbqt | data/2C/2C5E-GDD/2C5E-GDD_decoy_scores.csv |
2CJE-DUN | data/2C/2CJE-DUN/2CJE-DUN_ligand.pdbqt | data/2C/2CJE-DUN/2CJE-DUN_target.pdbqt | data/2C/2CJE-DUN/2CJE-DUN_decoys.pdbqt | data/2C/2CJE-DUN/2CJE-DUN_decoy_scores.csv |
2C04-GCP | data/2C/2C04-GCP/2C04-GCP_ligand.pdbqt | data/2C/2C04-GCP/2C04-GCP_target.pdbqt | data/2C/2C04-GCP/2C04-GCP_decoys.pdbqt | data/2C/2C04-GCP/2C04-GCP_decoy_scores.csv |
2CVW-GDP | data/2C/2CVW-GDP/2CVW-GDP_ligand.pdbqt | data/2C/2CVW-GDP/2CVW-GDP_target.pdbqt | data/2C/2CVW-GDP/2CVW-GDP_decoys.pdbqt | data/2C/2CVW-GDP/2CVW-GDP_decoy_scores.csv |
2C4F-GLC | data/2C/2C4F-GLC/2C4F-GLC_ligand.pdbqt | data/2C/2C4F-GLC/2C4F-GLC_target.pdbqt | data/2C/2C4F-GLC/2C4F-GLC_decoys.pdbqt | data/2C/2C4F-GLC/2C4F-GLC_decoy_scores.csv |
2CL5-BIE | data/2C/2CL5-BIE/2CL5-BIE_ligand.pdbqt | data/2C/2CL5-BIE/2CL5-BIE_target.pdbqt | data/2C/2CL5-BIE/2CL5-BIE_decoys.pdbqt | data/2C/2CL5-BIE/2CL5-BIE_decoy_scores.csv |
2CK3-ANP | data/2C/2CK3-ANP/2CK3-ANP_ligand.pdbqt | data/2C/2CK3-ANP/2CK3-ANP_target.pdbqt | data/2C/2CK3-ANP/2CK3-ANP_decoys.pdbqt | data/2C/2CK3-ANP/2CK3-ANP_decoy_scores.csv |
2C03-GDP | data/2C/2C03-GDP/2C03-GDP_ligand.pdbqt | data/2C/2C03-GDP/2C03-GDP_target.pdbqt | data/2C/2C03-GDP/2C03-GDP_decoys.pdbqt | data/2C/2C03-GDP/2C03-GDP_decoy_scores.csv |
2C3Q-GTX | data/2C/2C3Q-GTX/2C3Q-GTX_ligand.pdbqt | data/2C/2C3Q-GTX/2C3Q-GTX_target.pdbqt | data/2C/2C3Q-GTX/2C3Q-GTX_decoys.pdbqt | data/2C/2C3Q-GTX/2C3Q-GTX_decoy_scores.csv |
2C68-CT6 | data/2C/2C68-CT6/2C68-CT6_ligand.pdbqt | data/2C/2C68-CT6/2C68-CT6_target.pdbqt | data/2C/2C68-CT6/2C68-CT6_decoys.pdbqt | data/2C/2C68-CT6/2C68-CT6_decoy_scores.csv |
2CJM-ATP | data/2C/2CJM-ATP/2CJM-ATP_ligand.pdbqt | data/2C/2CJM-ATP/2CJM-ATP_target.pdbqt | data/2C/2CJM-ATP/2CJM-ATP_decoys.pdbqt | data/2C/2CJM-ATP/2CJM-ATP_decoy_scores.csv |
2CD2-FOL | data/2C/2CD2-FOL/2CD2-FOL_ligand.pdbqt | data/2C/2CD2-FOL/2CD2-FOL_target.pdbqt | data/2C/2CD2-FOL/2CD2-FOL_decoys.pdbqt | data/2C/2CD2-FOL/2CD2-FOL_decoy_scores.csv |
2CDB-BGC | data/2C/2CDB-BGC/2CDB-BGC_ligand.pdbqt | data/2C/2CDB-BGC/2CDB-BGC_target.pdbqt | data/2C/2CDB-BGC/2CDB-BGC_decoys.pdbqt | data/2C/2CDB-BGC/2CDB-BGC_decoy_scores.csv |
2CLE-F6F | data/2C/2CLE-F6F/2CLE-F6F_ligand.pdbqt | data/2C/2CLE-F6F/2CLE-F6F_target.pdbqt | data/2C/2CLE-F6F/2CLE-F6F_decoys.pdbqt | data/2C/2CLE-F6F/2CLE-F6F_decoy_scores.csv |
2C70-PNZ | data/2C/2C70-PNZ/2C70-PNZ_ligand.pdbqt | data/2C/2C70-PNZ/2C70-PNZ_target.pdbqt | data/2C/2C70-PNZ/2C70-PNZ_decoys.pdbqt | data/2C/2C70-PNZ/2C70-PNZ_decoy_scores.csv |
2C5L-GTP | data/2C/2C5L-GTP/2C5L-GTP_ligand.pdbqt | data/2C/2C5L-GTP/2C5L-GTP_target.pdbqt | data/2C/2C5L-GTP/2C5L-GTP_decoys.pdbqt | data/2C/2C5L-GTP/2C5L-GTP_decoy_scores.csv |
2CBZ-ATP | data/2C/2CBZ-ATP/2CBZ-ATP_ligand.pdbqt | data/2C/2CBZ-ATP/2CBZ-ATP_target.pdbqt | data/2C/2CBZ-ATP/2CBZ-ATP_decoys.pdbqt | data/2C/2CBZ-ATP/2CBZ-ATP_decoy_scores.csv |
2C1X-B3P | data/2C/2C1X-B3P/2C1X-B3P_ligand.pdbqt | data/2C/2C1X-B3P/2C1X-B3P_target.pdbqt | data/2C/2C1X-B3P/2C1X-B3P_decoys.pdbqt | data/2C/2C1X-B3P/2C1X-B3P_decoy_scores.csv |
2CM8-F16 | data/2C/2CM8-F16/2CM8-F16_ligand.pdbqt | data/2C/2CM8-F16/2CM8-F16_target.pdbqt | data/2C/2CM8-F16/2CM8-F16_decoys.pdbqt | data/2C/2CM8-F16/2CM8-F16_decoy_scores.csv |
2CP4-CAM | data/2C/2CP4-CAM/2CP4-CAM_ligand.pdbqt | data/2C/2CP4-CAM/2CP4-CAM_target.pdbqt | data/2C/2CP4-CAM/2CP4-CAM_decoys.pdbqt | data/2C/2CP4-CAM/2CP4-CAM_decoy_scores.csv |
2CGR-GAS | data/2C/2CGR-GAS/2CGR-GAS_ligand.pdbqt | data/2C/2CGR-GAS/2CGR-GAS_target.pdbqt | data/2C/2CGR-GAS/2CGR-GAS_decoys.pdbqt | data/2C/2CGR-GAS/2CGR-GAS_decoy_scores.csv |
2CJW-GDP | data/2C/2CJW-GDP/2CJW-GDP_ligand.pdbqt | data/2C/2CJW-GDP/2CJW-GDP_target.pdbqt | null | null |
2C5U-APC | data/2C/2C5U-APC/2C5U-APC_ligand.pdbqt | data/2C/2C5U-APC/2C5U-APC_target.pdbqt | data/2C/2C5U-APC/2C5U-APC_decoys.pdbqt | data/2C/2C5U-APC/2C5U-APC_decoy_scores.csv |
2CUU-MTN | data/2C/2CUU-MTN/2CUU-MTN_ligand.pdbqt | data/2C/2CUU-MTN/2CUU-MTN_target.pdbqt | data/2C/2CUU-MTN/2CUU-MTN_decoys.pdbqt | data/2C/2CUU-MTN/2CUU-MTN_decoy_scores.csv |
2CVY-TTP | data/2C/2CVY-TTP/2CVY-TTP_ligand.pdbqt | data/2C/2CVY-TTP/2CVY-TTP_target.pdbqt | data/2C/2CVY-TTP/2CVY-TTP_decoys.pdbqt | data/2C/2CVY-TTP/2CVY-TTP_decoy_scores.csv |
2CQS-BGC | data/2C/2CQS-BGC/2CQS-BGC_ligand.pdbqt | data/2C/2CQS-BGC/2CQS-BGC_target.pdbqt | data/2C/2CQS-BGC/2CQS-BGC_decoys.pdbqt | data/2C/2CQS-BGC/2CQS-BGC_decoy_scores.csv |
2CEX-DAN | data/2C/2CEX-DAN/2CEX-DAN_ligand.pdbqt | data/2C/2CEX-DAN/2CEX-DAN_target.pdbqt | data/2C/2CEX-DAN/2CEX-DAN_decoys.pdbqt | data/2C/2CEX-DAN/2CEX-DAN_decoy_scores.csv |
2CCG-TMP | data/2C/2CCG-TMP/2CCG-TMP_ligand.pdbqt | data/2C/2CCG-TMP/2CCG-TMP_target.pdbqt | data/2C/2CCG-TMP/2CCG-TMP_decoys.pdbqt | data/2C/2CCG-TMP/2CCG-TMP_decoy_scores.csv |
2C31-ADP | data/2C/2C31-ADP/2C31-ADP_ligand.pdbqt | data/2C/2C31-ADP/2C31-ADP_target.pdbqt | data/2C/2C31-ADP/2C31-ADP_decoys.pdbqt | data/2C/2C31-ADP/2C31-ADP_decoy_scores.csv |
2C0J-PLM | data/2C/2C0J-PLM/2C0J-PLM_ligand.pdbqt | data/2C/2C0J-PLM/2C0J-PLM_target.pdbqt | data/2C/2C0J-PLM/2C0J-PLM_decoys.pdbqt | data/2C/2C0J-PLM/2C0J-PLM_decoy_scores.csv |
2C4T-SA8 | data/2C/2C4T-SA8/2C4T-SA8_ligand.pdbqt | data/2C/2C4T-SA8/2C4T-SA8_target.pdbqt | data/2C/2C4T-SA8/2C4T-SA8_decoys.pdbqt | data/2C/2C4T-SA8/2C4T-SA8_decoy_scores.csv |
2CE2-XY2 | data/2C/2CE2-XY2/2CE2-XY2_ligand.pdbqt | data/2C/2CE2-XY2/2CE2-XY2_target.pdbqt | data/2C/2CE2-XY2/2CE2-XY2_decoys.pdbqt | data/2C/2CE2-XY2/2CE2-XY2_decoy_scores.csv |
2CNO-M60 | data/2C/2CNO-M60/2CNO-M60_ligand.pdbqt | data/2C/2CNO-M60/2CNO-M60_target.pdbqt | data/2C/2CNO-M60/2CNO-M60_decoys.pdbqt | data/2C/2CNO-M60/2CNO-M60_decoy_scores.csv |
2CLI-F9F | data/2C/2CLI-F9F/2CLI-F9F_ligand.pdbqt | data/2C/2CLI-F9F/2CLI-F9F_target.pdbqt | data/2C/2CLI-F9F/2CLI-F9F_decoys.pdbqt | data/2C/2CLI-F9F/2CLI-F9F_decoy_scores.csv |
2C64-MA0 | data/2C/2C64-MA0/2C64-MA0_ligand.pdbqt | data/2C/2C64-MA0/2C64-MA0_target.pdbqt | data/2C/2C64-MA0/2C64-MA0_decoys.pdbqt | data/2C/2C64-MA0/2C64-MA0_decoy_scores.csv |
2C93-C4M | data/2C/2C93-C4M/2C93-C4M_ligand.pdbqt | data/2C/2C93-C4M/2C93-C4M_target.pdbqt | data/2C/2C93-C4M/2C93-C4M_decoys.pdbqt | data/2C/2C93-C4M/2C93-C4M_decoy_scores.csv |
2CH5-NDG | data/2C/2CH5-NDG/2CH5-NDG_ligand.pdbqt | data/2C/2CH5-NDG/2CH5-NDG_target.pdbqt | data/2C/2CH5-NDG/2CH5-NDG_decoys.pdbqt | data/2C/2CH5-NDG/2CH5-NDG_decoy_scores.csv |
2CHM-3P4 | data/2C/2CHM-3P4/2CHM-3P4_ligand.pdbqt | data/2C/2CHM-3P4/2CHM-3P4_target.pdbqt | data/2C/2CHM-3P4/2CHM-3P4_decoys.pdbqt | data/2C/2CHM-3P4/2CHM-3P4_decoy_scores.csv |
2CIR-BG6 | data/2C/2CIR-BG6/2CIR-BG6_ligand.pdbqt | data/2C/2CIR-BG6/2CIR-BG6_target.pdbqt | data/2C/2CIR-BG6/2CIR-BG6_decoys.pdbqt | data/2C/2CIR-BG6/2CIR-BG6_decoy_scores.csv |
2CHN-NGT | data/2C/2CHN-NGT/2CHN-NGT_ligand.pdbqt | data/2C/2CHN-NGT/2CHN-NGT_target.pdbqt | data/2C/2CHN-NGT/2CHN-NGT_decoys.pdbqt | data/2C/2CHN-NGT/2CHN-NGT_decoy_scores.csv |
2C8Y-C3M | data/2C/2C8Y-C3M/2C8Y-C3M_ligand.pdbqt | data/2C/2C8Y-C3M/2C8Y-C3M_target.pdbqt | data/2C/2C8Y-C3M/2C8Y-C3M_decoys.pdbqt | data/2C/2C8Y-C3M/2C8Y-C3M_decoy_scores.csv |
2CDC-XYS | data/2C/2CDC-XYS/2CDC-XYS_ligand.pdbqt | data/2C/2CDC-XYS/2CDC-XYS_target.pdbqt | data/2C/2CDC-XYS/2CDC-XYS_decoys.pdbqt | data/2C/2CDC-XYS/2CDC-XYS_decoy_scores.csv |
2CPP-CAM | data/2C/2CPP-CAM/2CPP-CAM_ligand.pdbqt | data/2C/2CPP-CAM/2CPP-CAM_target.pdbqt | data/2C/2CPP-CAM/2CPP-CAM_decoys.pdbqt | data/2C/2CPP-CAM/2CPP-CAM_decoy_scores.csv |
2C25-SIA | data/2C/2C25-SIA/2C25-SIA_ligand.pdbqt | data/2C/2C25-SIA/2C25-SIA_target.pdbqt | data/2C/2C25-SIA/2C25-SIA_decoys.pdbqt | data/2C/2C25-SIA/2C25-SIA_decoy_scores.csv |
2C9E-PID | data/2C/2C9E-PID/2C9E-PID_ligand.pdbqt | data/2C/2C9E-PID/2C9E-PID_target.pdbqt | data/2C/2C9E-PID/2C9E-PID_decoys.pdbqt | data/2C/2C9E-PID/2C9E-PID_decoy_scores.csv |
2CCS-4BH | data/2C/2CCS-4BH/2CCS-4BH_ligand.pdbqt | data/2C/2CCS-4BH/2CCS-4BH_target.pdbqt | data/2C/2CCS-4BH/2CCS-4BH_decoys.pdbqt | data/2C/2CCS-4BH/2CCS-4BH_decoy_scores.csv |
2CC2-5AD | data/2C/2CC2-5AD/2CC2-5AD_ligand.pdbqt | data/2C/2CC2-5AD/2CC2-5AD_target.pdbqt | data/2C/2CC2-5AD/2CC2-5AD_decoys.pdbqt | data/2C/2CC2-5AD/2CC2-5AD_decoy_scores.csv |
2C65-4CR | data/2C/2C65-4CR/2C65-4CR_ligand.pdbqt | data/2C/2C65-4CR/2C65-4CR_target.pdbqt | data/2C/2C65-4CR/2C65-4CR_decoys.pdbqt | data/2C/2C65-4CR/2C65-4CR_decoy_scores.csv |
2CDU-ADP | data/2C/2CDU-ADP/2CDU-ADP_ligand.pdbqt | data/2C/2CDU-ADP/2CDU-ADP_target.pdbqt | data/2C/2CDU-ADP/2CDU-ADP_decoys.pdbqt | data/2C/2CDU-ADP/2CDU-ADP_decoy_scores.csv |
2CCH-ATP | data/2C/2CCH-ATP/2CCH-ATP_ligand.pdbqt | data/2C/2CCH-ATP/2CCH-ATP_target.pdbqt | data/2C/2CCH-ATP/2CCH-ATP_decoys.pdbqt | data/2C/2CCH-ATP/2CCH-ATP_decoy_scores.csv |
2C8X-C5M | data/2C/2C8X-C5M/2C8X-C5M_ligand.pdbqt | data/2C/2C8X-C5M/2C8X-C5M_target.pdbqt | data/2C/2C8X-C5M/2C8X-C5M_decoys.pdbqt | data/2C/2C8X-C5M/2C8X-C5M_decoy_scores.csv |
2CEQ-GIM | data/2C/2CEQ-GIM/2CEQ-GIM_ligand.pdbqt | data/2C/2CEQ-GIM/2CEQ-GIM_target.pdbqt | data/2C/2CEQ-GIM/2CEQ-GIM_decoys.pdbqt | data/2C/2CEQ-GIM/2CEQ-GIM_decoy_scores.csv |
2C54-NAD | data/2C/2C54-NAD/2C54-NAD_ligand.pdbqt | data/2C/2C54-NAD/2C54-NAD_target.pdbqt | data/2C/2C54-NAD/2C54-NAD_decoys.pdbqt | data/2C/2C54-NAD/2C54-NAD_decoy_scores.csv |
2C5E-NAD | data/2C/2C5E-NAD/2C5E-NAD_ligand.pdbqt | data/2C/2C5E-NAD/2C5E-NAD_target.pdbqt | data/2C/2C5E-NAD/2C5E-NAD_decoys.pdbqt | data/2C/2C5E-NAD/2C5E-NAD_decoy_scores.csv |
2CLC-XY2 | data/2C/2CLC-XY2/2CLC-XY2_ligand.pdbqt | data/2C/2CLC-XY2/2CLC-XY2_target.pdbqt | data/2C/2CLC-XY2/2CLC-XY2_decoys.pdbqt | data/2C/2CLC-XY2/2CLC-XY2_decoy_scores.csv |
2C1Q-BTN | data/2C/2C1Q-BTN/2C1Q-BTN_ligand.pdbqt | data/2C/2C1Q-BTN/2C1Q-BTN_target.pdbqt | data/2C/2C1Q-BTN/2C1Q-BTN_decoys.pdbqt | data/2C/2C1Q-BTN/2C1Q-BTN_decoy_scores.csv |
2C99-ANP | data/2C/2C99-ANP/2C99-ANP_ligand.pdbqt | data/2C/2C99-ANP/2C99-ANP_target.pdbqt | data/2C/2C99-ANP/2C99-ANP_decoys.pdbqt | data/2C/2C99-ANP/2C99-ANP_decoy_scores.csv |
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