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 ⌀ |
|---|---|---|---|---|
7R45-LMT | data/7R/7R45-LMT/7R45-LMT_ligand.pdbqt | data/7R/7R45-LMT/7R45-LMT_target.pdbqt | data/7R/7R45-LMT/7R45-LMT_decoys.pdbqt | data/7R/7R45-LMT/7R45-LMT_decoy_scores.csv |
7R0T-TMP | data/7R/7R0T-TMP/7R0T-TMP_ligand.pdbqt | data/7R/7R0T-TMP/7R0T-TMP_target.pdbqt | null | null |
7R4C-EHZ | data/7R/7R4C-EHZ/7R4C-EHZ_ligand.pdbqt | data/7R/7R4C-EHZ/7R4C-EHZ_target.pdbqt | data/7R/7R4C-EHZ/7R4C-EHZ_decoys.pdbqt | data/7R/7R4C-EHZ/7R4C-EHZ_decoy_scores.csv |
7R4H-GTP | data/7R/7R4H-GTP/7R4H-GTP_ligand.pdbqt | data/7R/7R4H-GTP/7R4H-GTP_target.pdbqt | data/7R/7R4H-GTP/7R4H-GTP_decoys.pdbqt | data/7R/7R4H-GTP/7R4H-GTP_decoy_scores.csv |
7RVN-7VB | data/7R/7RVN-7VB/7RVN-7VB_ligand.pdbqt | data/7R/7RVN-7VB/7RVN-7VB_target.pdbqt | data/7R/7RVN-7VB/7RVN-7VB_decoys.pdbqt | data/7R/7RVN-7VB/7RVN-7VB_decoy_scores.csv |
7RGR-NHE | data/7R/7RGR-NHE/7RGR-NHE_ligand.pdbqt | data/7R/7RGR-NHE/7RGR-NHE_target.pdbqt | data/7R/7RGR-NHE/7RGR-NHE_decoys.pdbqt | data/7R/7RGR-NHE/7RGR-NHE_decoy_scores.csv |
7R0M-H2T | data/7R/7R0M-H2T/7R0M-H2T_ligand.pdbqt | data/7R/7R0M-H2T/7R0M-H2T_target.pdbqt | data/7R/7R0M-H2T/7R0M-H2T_decoys.pdbqt | data/7R/7R0M-H2T/7R0M-H2T_decoy_scores.csv |
7RXE-FLC | data/7R/7RXE-FLC/7RXE-FLC_ligand.pdbqt | data/7R/7RXE-FLC/7RXE-FLC_target.pdbqt | data/7R/7RXE-FLC/7RXE-FLC_decoys.pdbqt | data/7R/7RXE-FLC/7RXE-FLC_decoy_scores.csv |
7RS0-7I9 | data/7R/7RS0-7I9/7RS0-7I9_ligand.pdbqt | data/7R/7RS0-7I9/7RS0-7I9_target.pdbqt | data/7R/7RS0-7I9/7RS0-7I9_decoys.pdbqt | data/7R/7RS0-7I9/7RS0-7I9_decoy_scores.csv |
7RKB-NEU | data/7R/7RKB-NEU/7RKB-NEU_ligand.pdbqt | data/7R/7RKB-NEU/7RKB-NEU_target.pdbqt | data/7R/7RKB-NEU/7RKB-NEU_decoys.pdbqt | data/7R/7RKB-NEU/7RKB-NEU_decoy_scores.csv |
7R4N-7RI | data/7R/7R4N-7RI/7R4N-7RI_ligand.pdbqt | data/7R/7R4N-7RI/7R4N-7RI_target.pdbqt | data/7R/7R4N-7RI/7R4N-7RI_decoys.pdbqt | data/7R/7R4N-7RI/7R4N-7RI_decoy_scores.csv |
7RS2-7I5 | data/7R/7RS2-7I5/7RS2-7I5_ligand.pdbqt | data/7R/7RS2-7I5/7RS2-7I5_target.pdbqt | data/7R/7RS2-7I5/7RS2-7I5_decoys.pdbqt | data/7R/7RS2-7I5/7RS2-7I5_decoy_scores.csv |
7R59-I5F | data/7R/7R59-I5F/7R59-I5F_ligand.pdbqt | data/7R/7R59-I5F/7R59-I5F_target.pdbqt | data/7R/7R59-I5F/7R59-I5F_decoys.pdbqt | data/7R/7R59-I5F/7R59-I5F_decoy_scores.csv |
7R43-EHZ | data/7R/7R43-EHZ/7R43-EHZ_ligand.pdbqt | data/7R/7R43-EHZ/7R43-EHZ_target.pdbqt | data/7R/7R43-EHZ/7R43-EHZ_decoys.pdbqt | data/7R/7R43-EHZ/7R43-EHZ_decoy_scores.csv |
7RT3-GDP | data/7R/7RT3-GDP/7RT3-GDP_ligand.pdbqt | data/7R/7RT3-GDP/7RT3-GDP_target.pdbqt | data/7R/7RT3-GDP/7RT3-GDP_decoys.pdbqt | data/7R/7RT3-GDP/7RT3-GDP_decoy_scores.csv |
3CHT-4NB | data/3C/3CHT-4NB/3CHT-4NB_ligand.pdbqt | data/3C/3CHT-4NB/3CHT-4NB_target.pdbqt | data/3C/3CHT-4NB/3CHT-4NB_decoys.pdbqt | data/3C/3CHT-4NB/3CHT-4NB_decoy_scores.csv |
3CEV-ARG | data/3C/3CEV-ARG/3CEV-ARG_ligand.pdbqt | data/3C/3CEV-ARG/3CEV-ARG_target.pdbqt | data/3C/3CEV-ARG/3CEV-ARG_decoys.pdbqt | data/3C/3CEV-ARG/3CEV-ARG_decoy_scores.csv |
3CFT-5NS | data/3C/3CFT-5NS/3CFT-5NS_ligand.pdbqt | data/3C/3CFT-5NS/3CFT-5NS_target.pdbqt | data/3C/3CFT-5NS/3CFT-5NS_decoys.pdbqt | data/3C/3CFT-5NS/3CFT-5NS_decoy_scores.csv |
3C27-DKK | data/3C/3C27-DKK/3C27-DKK_ligand.pdbqt | data/3C/3C27-DKK/3C27-DKK_target.pdbqt | data/3C/3C27-DKK/3C27-DKK_decoys.pdbqt | data/3C/3C27-DKK/3C27-DKK_decoy_scores.csv |
3CWQ-ADP | data/3C/3CWQ-ADP/3CWQ-ADP_ligand.pdbqt | data/3C/3CWQ-ADP/3CWQ-ADP_target.pdbqt | data/3C/3CWQ-ADP/3CWQ-ADP_decoys.pdbqt | data/3C/3CWQ-ADP/3CWQ-ADP_decoy_scores.csv |
3CJ7-AMP | data/3C/3CJ7-AMP/3CJ7-AMP_ligand.pdbqt | data/3C/3CJ7-AMP/3CJ7-AMP_target.pdbqt | data/3C/3CJ7-AMP/3CJ7-AMP_decoys.pdbqt | data/3C/3CJ7-AMP/3CJ7-AMP_decoy_scores.csv |
3CZ1-NBB | data/3C/3CZ1-NBB/3CZ1-NBB_ligand.pdbqt | data/3C/3CZ1-NBB/3CZ1-NBB_target.pdbqt | data/3C/3CZ1-NBB/3CZ1-NBB_decoys.pdbqt | data/3C/3CZ1-NBB/3CZ1-NBB_decoy_scores.csv |
3CJ5-SX6 | data/3C/3CJ5-SX6/3CJ5-SX6_ligand.pdbqt | data/3C/3CJ5-SX6/3CJ5-SX6_target.pdbqt | data/3C/3CJ5-SX6/3CJ5-SX6_decoys.pdbqt | data/3C/3CJ5-SX6/3CJ5-SX6_decoy_scores.csv |
3C9S-ACP | data/3C/3C9S-ACP/3C9S-ACP_ligand.pdbqt | data/3C/3C9S-ACP/3C9S-ACP_target.pdbqt | data/3C/3C9S-ACP/3C9S-ACP_decoys.pdbqt | data/3C/3C9S-ACP/3C9S-ACP_decoy_scores.csv |
3CI4-ATP | data/3C/3CI4-ATP/3CI4-ATP_ligand.pdbqt | data/3C/3CI4-ATP/3CI4-ATP_target.pdbqt | data/3C/3CI4-ATP/3CI4-ATP_decoys.pdbqt | data/3C/3CI4-ATP/3CI4-ATP_decoy_scores.csv |
3C11-GDM | data/3C/3C11-GDM/3C11-GDM_ligand.pdbqt | data/3C/3C11-GDM/3C11-GDM_target.pdbqt | data/3C/3C11-GDM/3C11-GDM_decoys.pdbqt | data/3C/3C11-GDM/3C11-GDM_decoy_scores.csv |
3CYL-VIT | data/3C/3CYL-VIT/3CYL-VIT_ligand.pdbqt | data/3C/3CYL-VIT/3CYL-VIT_target.pdbqt | data/3C/3CYL-VIT/3CYL-VIT_decoys.pdbqt | data/3C/3CYL-VIT/3CYL-VIT_decoy_scores.csv |
3CNO-GDP | data/3C/3CNO-GDP/3CNO-GDP_ligand.pdbqt | data/3C/3CNO-GDP/3CNO-GDP_target.pdbqt | data/3C/3CNO-GDP/3CNO-GDP_decoys.pdbqt | data/3C/3CNO-GDP/3CNO-GDP_decoy_scores.csv |
3CZ9-P4C | data/3C/3CZ9-P4C/3CZ9-P4C_ligand.pdbqt | data/3C/3CZ9-P4C/3CZ9-P4C_target.pdbqt | data/3C/3CZ9-P4C/3CZ9-P4C_decoys.pdbqt | data/3C/3CZ9-P4C/3CZ9-P4C_decoy_scores.csv |
3CIF-G3H | data/3C/3CIF-G3H/3CIF-G3H_ligand.pdbqt | data/3C/3CIF-G3H/3CIF-G3H_target.pdbqt | data/3C/3CIF-G3H/3CIF-G3H_decoys.pdbqt | data/3C/3CIF-G3H/3CIF-G3H_decoy_scores.csv |
3CKO-UDP | data/3C/3CKO-UDP/3CKO-UDP_ligand.pdbqt | data/3C/3CKO-UDP/3CKO-UDP_target.pdbqt | data/3C/3CKO-UDP/3CKO-UDP_decoys.pdbqt | data/3C/3CKO-UDP/3CKO-UDP_decoy_scores.csv |
3CD3-STU | data/3C/3CD3-STU/3CD3-STU_ligand.pdbqt | data/3C/3CD3-STU/3CD3-STU_target.pdbqt | data/3C/3CD3-STU/3CD3-STU_decoys.pdbqt | data/3C/3CD3-STU/3CD3-STU_decoy_scores.csv |
3CTL-S6P | data/3C/3CTL-S6P/3CTL-S6P_ligand.pdbqt | data/3C/3CTL-S6P/3CTL-S6P_target.pdbqt | data/3C/3CTL-S6P/3CTL-S6P_decoys.pdbqt | data/3C/3CTL-S6P/3CTL-S6P_decoy_scores.csv |
3CTQ-337 | data/3C/3CTQ-337/3CTQ-337_ligand.pdbqt | data/3C/3CTQ-337/3CTQ-337_target.pdbqt | data/3C/3CTQ-337/3CTQ-337_decoys.pdbqt | data/3C/3CTQ-337/3CTQ-337_decoy_scores.csv |
3CS4-COV | data/3C/3CS4-COV/3CS4-COV_ligand.pdbqt | data/3C/3CS4-COV/3CS4-COV_target.pdbqt | data/3C/3CS4-COV/3CS4-COV_decoys.pdbqt | data/3C/3CS4-COV/3CS4-COV_decoy_scores.csv |
3CD0-6HI | data/3C/3CD0-6HI/3CD0-6HI_ligand.pdbqt | data/3C/3CD0-6HI/3CD0-6HI_target.pdbqt | data/3C/3CD0-6HI/3CD0-6HI_decoys.pdbqt | data/3C/3CD0-6HI/3CD0-6HI_decoy_scores.csv |
3C3Y-SAH | data/3C/3C3Y-SAH/3C3Y-SAH_ligand.pdbqt | data/3C/3C3Y-SAH/3C3Y-SAH_target.pdbqt | data/3C/3C3Y-SAH/3C3Y-SAH_decoys.pdbqt | data/3C/3C3Y-SAH/3C3Y-SAH_decoy_scores.csv |
3CDB-9HI | data/3C/3CDB-9HI/3CDB-9HI_ligand.pdbqt | data/3C/3CDB-9HI/3CDB-9HI_target.pdbqt | data/3C/3CDB-9HI/3CDB-9HI_decoys.pdbqt | data/3C/3CDB-9HI/3CDB-9HI_decoy_scores.csv |
3C9U-ADP | data/3C/3C9U-ADP/3C9U-ADP_ligand.pdbqt | data/3C/3C9U-ADP/3C9U-ADP_target.pdbqt | data/3C/3C9U-ADP/3C9U-ADP_decoys.pdbqt | data/3C/3C9U-ADP/3C9U-ADP_decoy_scores.csv |
3C5H-GNP | data/3C/3C5H-GNP/3C5H-GNP_ligand.pdbqt | data/3C/3C5H-GNP/3C5H-GNP_target.pdbqt | data/3C/3C5H-GNP/3C5H-GNP_decoys.pdbqt | data/3C/3C5H-GNP/3C5H-GNP_decoy_scores.csv |
3CI3-5AD | data/3C/3CI3-5AD/3CI3-5AD_ligand.pdbqt | data/3C/3CI3-5AD/3CI3-5AD_target.pdbqt | data/3C/3CI3-5AD/3CI3-5AD_decoys.pdbqt | data/3C/3CI3-5AD/3CI3-5AD_decoy_scores.csv |
3CS6-0CO | data/3C/3CS6-0CO/3CS6-0CO_ligand.pdbqt | data/3C/3CS6-0CO/3CS6-0CO_target.pdbqt | data/3C/3CS6-0CO/3CS6-0CO_decoys.pdbqt | data/3C/3CS6-0CO/3CS6-0CO_decoy_scores.csv |
3C56-PH4 | data/3C/3C56-PH4/3C56-PH4_ligand.pdbqt | data/3C/3C56-PH4/3C56-PH4_target.pdbqt | data/3C/3C56-PH4/3C56-PH4_decoys.pdbqt | data/3C/3C56-PH4/3C56-PH4_decoy_scores.csv |
3CWD-LNA | data/3C/3CWD-LNA/3CWD-LNA_ligand.pdbqt | data/3C/3CWD-LNA/3CWD-LNA_target.pdbqt | data/3C/3CWD-LNA/3CWD-LNA_decoys.pdbqt | data/3C/3CWD-LNA/3CWD-LNA_decoy_scores.csv |
3C1E-THP | data/3C/3C1E-THP/3C1E-THP_ligand.pdbqt | data/3C/3C1E-THP/3C1E-THP_target.pdbqt | data/3C/3C1E-THP/3C1E-THP_decoys.pdbqt | data/3C/3C1E-THP/3C1E-THP_decoy_scores.csv |
3C13-EMO | data/3C/3C13-EMO/3C13-EMO_ligand.pdbqt | data/3C/3C13-EMO/3C13-EMO_target.pdbqt | data/3C/3C13-EMO/3C13-EMO_decoys.pdbqt | data/3C/3C13-EMO/3C13-EMO_decoy_scores.csv |
3CUH-G2I | data/3C/3CUH-G2I/3CUH-G2I_ligand.pdbqt | data/3C/3CUH-G2I/3CUH-G2I_target.pdbqt | data/3C/3CUH-G2I/3CUH-G2I_decoys.pdbqt | data/3C/3CUH-G2I/3CUH-G2I_decoy_scores.csv |
3CFQ-DIF | data/3C/3CFQ-DIF/3CFQ-DIF_ligand.pdbqt | data/3C/3CFQ-DIF/3CFQ-DIF_target.pdbqt | data/3C/3CFQ-DIF/3CFQ-DIF_decoys.pdbqt | data/3C/3CFQ-DIF/3CFQ-DIF_decoy_scores.csv |
3CCW-4HI | data/3C/3CCW-4HI/3CCW-4HI_ligand.pdbqt | data/3C/3CCW-4HI/3CCW-4HI_target.pdbqt | data/3C/3CCW-4HI/3CCW-4HI_decoys.pdbqt | data/3C/3CCW-4HI/3CCW-4HI_decoy_scores.csv |
3C10-TSN | data/3C/3C10-TSN/3C10-TSN_ligand.pdbqt | data/3C/3C10-TSN/3C10-TSN_target.pdbqt | data/3C/3C10-TSN/3C10-TSN_decoys.pdbqt | data/3C/3C10-TSN/3C10-TSN_decoy_scores.csv |
3C85-AMP | data/3C/3C85-AMP/3C85-AMP_ligand.pdbqt | data/3C/3C85-AMP/3C85-AMP_target.pdbqt | data/3C/3C85-AMP/3C85-AMP_decoys.pdbqt | data/3C/3C85-AMP/3C85-AMP_decoy_scores.csv |
3CZM-NAD | data/3C/3CZM-NAD/3CZM-NAD_ligand.pdbqt | data/3C/3CZM-NAD/3CZM-NAD_target.pdbqt | data/3C/3CZM-NAD/3CZM-NAD_decoys.pdbqt | data/3C/3CZM-NAD/3CZM-NAD_decoy_scores.csv |
3CLS-AMP | data/3C/3CLS-AMP/3CLS-AMP_ligand.pdbqt | data/3C/3CLS-AMP/3CLS-AMP_target.pdbqt | data/3C/3CLS-AMP/3CLS-AMP_decoys.pdbqt | data/3C/3CLS-AMP/3CLS-AMP_decoy_scores.csv |
3C3B-CDP | data/3C/3C3B-CDP/3C3B-CDP_ligand.pdbqt | data/3C/3C3B-CDP/3C3B-CDP_target.pdbqt | data/3C/3C3B-CDP/3C3B-CDP_decoys.pdbqt | data/3C/3C3B-CDP/3C3B-CDP_decoy_scores.csv |
3CS8-BRL | data/3C/3CS8-BRL/3CS8-BRL_ligand.pdbqt | data/3C/3CS8-BRL/3CS8-BRL_target.pdbqt | data/3C/3CS8-BRL/3CS8-BRL_decoys.pdbqt | data/3C/3CS8-BRL/3CS8-BRL_decoy_scores.csv |
3C34-KAI | data/3C/3C34-KAI/3C34-KAI_ligand.pdbqt | data/3C/3C34-KAI/3C34-KAI_target.pdbqt | null | null |
3CR7-ADP | data/3C/3CR7-ADP/3CR7-ADP_ligand.pdbqt | data/3C/3CR7-ADP/3CR7-ADP_target.pdbqt | data/3C/3CR7-ADP/3CR7-ADP_decoys.pdbqt | data/3C/3CR7-ADP/3CR7-ADP_decoy_scores.csv |
3CPS-NAD | data/3C/3CPS-NAD/3CPS-NAD_ligand.pdbqt | data/3C/3CPS-NAD/3CPS-NAD_target.pdbqt | data/3C/3CPS-NAD/3CPS-NAD_decoys.pdbqt | data/3C/3CPS-NAD/3CPS-NAD_decoy_scores.csv |
3C4F-C4F | data/3C/3C4F-C4F/3C4F-C4F_ligand.pdbqt | data/3C/3C4F-C4F/3C4F-C4F_target.pdbqt | data/3C/3C4F-C4F/3C4F-C4F_decoys.pdbqt | data/3C/3C4F-C4F/3C4F-C4F_decoy_scores.csv |
3CSE-N22 | data/3C/3CSE-N22/3CSE-N22_ligand.pdbqt | data/3C/3CSE-N22/3CSE-N22_target.pdbqt | data/3C/3CSE-N22/3CSE-N22_decoys.pdbqt | data/3C/3CSE-N22/3CSE-N22_decoy_scores.csv |
3C36-KAI | data/3C/3C36-KAI/3C36-KAI_ligand.pdbqt | data/3C/3C36-KAI/3C36-KAI_target.pdbqt | data/3C/3C36-KAI/3C36-KAI_decoys.pdbqt | data/3C/3C36-KAI/3C36-KAI_decoy_scores.csv |
3CSJ-CBL | data/3C/3CSJ-CBL/3CSJ-CBL_ligand.pdbqt | data/3C/3CSJ-CBL/3CSJ-CBL_target.pdbqt | data/3C/3CSJ-CBL/3CSJ-CBL_decoys.pdbqt | data/3C/3CSJ-CBL/3CSJ-CBL_decoy_scores.csv |
3C5T-10M | data/3C/3C5T-10M/3C5T-10M_ligand.pdbqt | data/3C/3C5T-10M/3C5T-10M_target.pdbqt | data/3C/3C5T-10M/3C5T-10M_decoys.pdbqt | data/3C/3C5T-10M/3C5T-10M_decoy_scores.csv |
3CJ0-SX2 | data/3C/3CJ0-SX2/3CJ0-SX2_ligand.pdbqt | data/3C/3CJ0-SX2/3CJ0-SX2_target.pdbqt | data/3C/3CJ0-SX2/3CJ0-SX2_decoys.pdbqt | data/3C/3CJ0-SX2/3CJ0-SX2_decoy_scores.csv |
3CP6-RSX | data/3C/3CP6-RSX/3CP6-RSX_ligand.pdbqt | data/3C/3CP6-RSX/3CP6-RSX_target.pdbqt | data/3C/3CP6-RSX/3CP6-RSX_decoys.pdbqt | data/3C/3CP6-RSX/3CP6-RSX_decoy_scores.csv |
3C0I-3AM | data/3C/3C0I-3AM/3C0I-3AM_ligand.pdbqt | data/3C/3C0I-3AM/3C0I-3AM_target.pdbqt | data/3C/3C0I-3AM/3C0I-3AM_decoys.pdbqt | data/3C/3C0I-3AM/3C0I-3AM_decoy_scores.csv |
3CBG-FER | data/3C/3CBG-FER/3CBG-FER_ligand.pdbqt | data/3C/3CBG-FER/3CBG-FER_target.pdbqt | data/3C/3CBG-FER/3CBG-FER_decoys.pdbqt | data/3C/3CBG-FER/3CBG-FER_decoy_scores.csv |
3CEA-NAD | data/3C/3CEA-NAD/3CEA-NAD_ligand.pdbqt | data/3C/3CEA-NAD/3CEA-NAD_target.pdbqt | data/3C/3CEA-NAD/3CEA-NAD_decoys.pdbqt | data/3C/3CEA-NAD/3CEA-NAD_decoy_scores.csv |
3C7I-TVN | data/3C/3C7I-TVN/3C7I-TVN_ligand.pdbqt | data/3C/3C7I-TVN/3C7I-TVN_target.pdbqt | data/3C/3C7I-TVN/3C7I-TVN_decoys.pdbqt | data/3C/3C7I-TVN/3C7I-TVN_decoy_scores.csv |
3CSD-EMO | data/3C/3CSD-EMO/3CSD-EMO_ligand.pdbqt | data/3C/3CSD-EMO/3CSD-EMO_target.pdbqt | data/3C/3CSD-EMO/3CSD-EMO_decoys.pdbqt | data/3C/3CSD-EMO/3CSD-EMO_decoy_scores.csv |
3CX8-GSP | data/3C/3CX8-GSP/3CX8-GSP_ligand.pdbqt | data/3C/3CX8-GSP/3CX8-GSP_target.pdbqt | data/3C/3CX8-GSP/3CX8-GSP_decoys.pdbqt | data/3C/3CX8-GSP/3CX8-GSP_decoy_scores.csv |
3CD7-882 | data/3C/3CD7-882/3CD7-882_ligand.pdbqt | data/3C/3CD7-882/3CD7-882_target.pdbqt | data/3C/3CD7-882/3CD7-882_decoys.pdbqt | data/3C/3CD7-882/3CD7-882_decoy_scores.csv |
3C5Q-LYS | data/3C/3C5Q-LYS/3C5Q-LYS_ligand.pdbqt | data/3C/3C5Q-LYS/3C5Q-LYS_target.pdbqt | data/3C/3C5Q-LYS/3C5Q-LYS_decoys.pdbqt | data/3C/3C5Q-LYS/3C5Q-LYS_decoy_scores.csv |
3CIB-314 | data/3C/3CIB-314/3CIB-314_ligand.pdbqt | data/3C/3CIB-314/3CIB-314_target.pdbqt | data/3C/3CIB-314/3CIB-314_decoys.pdbqt | data/3C/3CIB-314/3CIB-314_decoy_scores.csv |
3C8Z-5CA | data/3C/3C8Z-5CA/3C8Z-5CA_ligand.pdbqt | data/3C/3C8Z-5CA/3C8Z-5CA_target.pdbqt | data/3C/3C8Z-5CA/3C8Z-5CA_decoys.pdbqt | data/3C/3C8Z-5CA/3C8Z-5CA_decoy_scores.csv |
3CNP-SP7 | data/3C/3CNP-SP7/3CNP-SP7_ligand.pdbqt | data/3C/3CNP-SP7/3CNP-SP7_target.pdbqt | data/3C/3CNP-SP7/3CNP-SP7_decoys.pdbqt | data/3C/3CNP-SP7/3CNP-SP7_decoy_scores.csv |
3CBA-DMU | data/3C/3CBA-DMU/3CBA-DMU_ligand.pdbqt | data/3C/3CBA-DMU/3CBA-DMU_target.pdbqt | data/3C/3CBA-DMU/3CBA-DMU_decoys.pdbqt | data/3C/3CBA-DMU/3CBA-DMU_decoy_scores.csv |
3CZJ-149 | data/3C/3CZJ-149/3CZJ-149_ligand.pdbqt | data/3C/3CZJ-149/3CZJ-149_target.pdbqt | data/3C/3CZJ-149/3CZJ-149_decoys.pdbqt | data/3C/3CZJ-149/3CZJ-149_decoy_scores.csv |
3CKP-012 | data/3C/3CKP-012/3CKP-012_ligand.pdbqt | data/3C/3CKP-012/3CKP-012_target.pdbqt | data/3C/3CKP-012/3CKP-012_decoys.pdbqt | data/3C/3CKP-012/3CKP-012_decoy_scores.csv |
3C0V-ZEA | data/3C/3C0V-ZEA/3C0V-ZEA_ligand.pdbqt | data/3C/3C0V-ZEA/3C0V-ZEA_target.pdbqt | null | null |
3C3C-CDP | data/3C/3C3C-CDP/3C3C-CDP_ligand.pdbqt | data/3C/3C3C-CDP/3C3C-CDP_target.pdbqt | data/3C/3C3C-CDP/3C3C-CDP_decoys.pdbqt | data/3C/3C3C-CDP/3C3C-CDP_decoy_scores.csv |
3CKU-AZA | data/3C/3CKU-AZA/3CKU-AZA_ligand.pdbqt | data/3C/3CKU-AZA/3CKU-AZA_target.pdbqt | data/3C/3CKU-AZA/3CKU-AZA_decoys.pdbqt | data/3C/3CKU-AZA/3CKU-AZA_decoy_scores.csv |
3CZR-CPS | data/3C/3CZR-CPS/3CZR-CPS_ligand.pdbqt | data/3C/3CZR-CPS/3CZR-CPS_target.pdbqt | data/3C/3CZR-CPS/3CZR-CPS_decoys.pdbqt | data/3C/3CZR-CPS/3CZR-CPS_decoy_scores.csv |
3C1H-LDA | data/3C/3C1H-LDA/3C1H-LDA_ligand.pdbqt | data/3C/3C1H-LDA/3C1H-LDA_target.pdbqt | data/3C/3C1H-LDA/3C1H-LDA_decoys.pdbqt | data/3C/3C1H-LDA/3C1H-LDA_decoy_scores.csv |
3CBQ-GDP | data/3C/3CBQ-GDP/3CBQ-GDP_ligand.pdbqt | data/3C/3CBQ-GDP/3CBQ-GDP_target.pdbqt | data/3C/3CBQ-GDP/3CBQ-GDP_decoys.pdbqt | data/3C/3CBQ-GDP/3CBQ-GDP_decoy_scores.csv |
3C3A-ADP | data/3C/3C3A-ADP/3C3A-ADP_ligand.pdbqt | data/3C/3C3A-ADP/3C3A-ADP_target.pdbqt | data/3C/3C3A-ADP/3C3A-ADP_decoys.pdbqt | data/3C/3C3A-ADP/3C3A-ADP_decoy_scores.csv |
3C4H-DRL | data/3C/3C4H-DRL/3C4H-DRL_ligand.pdbqt | data/3C/3C4H-DRL/3C4H-DRL_target.pdbqt | data/3C/3C4H-DRL/3C4H-DRL_decoys.pdbqt | data/3C/3C4H-DRL/3C4H-DRL_decoy_scores.csv |
3CQ5-PMP | data/3C/3CQ5-PMP/3CQ5-PMP_ligand.pdbqt | data/3C/3CQ5-PMP/3CQ5-PMP_target.pdbqt | data/3C/3CQ5-PMP/3CQ5-PMP_decoys.pdbqt | data/3C/3CQ5-PMP/3CQ5-PMP_decoy_scores.csv |
3CE3-1FN | data/3C/3CE3-1FN/3CE3-1FN_ligand.pdbqt | data/3C/3CE3-1FN/3CE3-1FN_target.pdbqt | data/3C/3CE3-1FN/3CE3-1FN_decoys.pdbqt | data/3C/3CE3-1FN/3CE3-1FN_decoy_scores.csv |
3C7P-POF | data/3C/3C7P-POF/3C7P-POF_ligand.pdbqt | data/3C/3C7P-POF/3C7P-POF_target.pdbqt | data/3C/3C7P-POF/3C7P-POF_decoys.pdbqt | data/3C/3C7P-POF/3C7P-POF_decoy_scores.csv |
3CNV-FLC | data/3C/3CNV-FLC/3CNV-FLC_ligand.pdbqt | data/3C/3CNV-FLC/3CNV-FLC_target.pdbqt | data/3C/3CNV-FLC/3CNV-FLC_decoys.pdbqt | data/3C/3CNV-FLC/3CNV-FLC_decoy_scores.csv |
3C0A-14C | data/3C/3C0A-14C/3C0A-14C_ligand.pdbqt | data/3C/3C0A-14C/3C0A-14C_target.pdbqt | data/3C/3C0A-14C/3C0A-14C_decoys.pdbqt | data/3C/3C0A-14C/3C0A-14C_decoy_scores.csv |
3CBG-SAH | data/3C/3CBG-SAH/3CBG-SAH_ligand.pdbqt | data/3C/3CBG-SAH/3CBG-SAH_target.pdbqt | data/3C/3CBG-SAH/3CBG-SAH_decoys.pdbqt | data/3C/3CBG-SAH/3CBG-SAH_decoy_scores.csv |
3CF6-SP1 | data/3C/3CF6-SP1/3CF6-SP1_ligand.pdbqt | data/3C/3CF6-SP1/3CF6-SP1_target.pdbqt | data/3C/3CF6-SP1/3CF6-SP1_decoys.pdbqt | data/3C/3CF6-SP1/3CF6-SP1_decoy_scores.csv |
3C6K-MTA | data/3C/3C6K-MTA/3C6K-MTA_ligand.pdbqt | data/3C/3C6K-MTA/3C6K-MTA_target.pdbqt | data/3C/3C6K-MTA/3C6K-MTA_decoys.pdbqt | data/3C/3C6K-MTA/3C6K-MTA_decoy_scores.csv |
3CPC-C52 | data/3C/3CPC-C52/3CPC-C52_ligand.pdbqt | data/3C/3CPC-C52/3CPC-C52_target.pdbqt | data/3C/3CPC-C52/3CPC-C52_decoys.pdbqt | data/3C/3CPC-C52/3CPC-C52_decoy_scores.csv |
3CJ9-AMP | data/3C/3CJ9-AMP/3CJ9-AMP_ligand.pdbqt | data/3C/3CJ9-AMP/3CJ9-AMP_target.pdbqt | data/3C/3CJ9-AMP/3CJ9-AMP_decoys.pdbqt | data/3C/3CJ9-AMP/3CJ9-AMP_decoy_scores.csv |
3CUG-G3I | data/3C/3CUG-G3I/3CUG-G3I_ligand.pdbqt | data/3C/3CUG-G3I/3CUG-G3I_target.pdbqt | data/3C/3CUG-G3I/3CUG-G3I_decoys.pdbqt | data/3C/3CUG-G3I/3CUG-G3I_decoy_scores.csv |
3CVK-N34 | data/3C/3CVK-N34/3CVK-N34_ligand.pdbqt | data/3C/3CVK-N34/3CVK-N34_target.pdbqt | data/3C/3CVK-N34/3CVK-N34_decoys.pdbqt | data/3C/3CVK-N34/3CVK-N34_decoy_scores.csv |
3CO9-3MS | data/3C/3CO9-3MS/3CO9-3MS_ligand.pdbqt | data/3C/3CO9-3MS/3CO9-3MS_target.pdbqt | data/3C/3CO9-3MS/3CO9-3MS_decoys.pdbqt | data/3C/3CO9-3MS/3CO9-3MS_decoy_scores.csv |
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