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 ⌀ |
|---|---|---|---|---|
7NDM-SAH | data/7N/7NDM-SAH/7NDM-SAH_ligand.pdbqt | data/7N/7NDM-SAH/7NDM-SAH_target.pdbqt | data/7N/7NDM-SAH/7NDM-SAH_decoys.pdbqt | data/7N/7NDM-SAH/7NDM-SAH_decoy_scores.csv |
7N7R-S6V | data/7N/7N7R-S6V/7N7R-S6V_ligand.pdbqt | data/7N/7N7R-S6V/7N7R-S6V_target.pdbqt | data/7N/7N7R-S6V/7N7R-S6V_decoys.pdbqt | data/7N/7N7R-S6V/7N7R-S6V_decoy_scores.csv |
7NSF-3PO | data/7N/7NSF-3PO/7NSF-3PO_ligand.pdbqt | data/7N/7NSF-3PO/7NSF-3PO_target.pdbqt | data/7N/7NSF-3PO/7NSF-3PO_decoys.pdbqt | data/7N/7NSF-3PO/7NSF-3PO_decoy_scores.csv |
7N53-EV1 | data/7N/7N53-EV1/7N53-EV1_ligand.pdbqt | data/7N/7N53-EV1/7N53-EV1_target.pdbqt | data/7N/7N53-EV1/7N53-EV1_decoys.pdbqt | data/7N/7N53-EV1/7N53-EV1_decoy_scores.csv |
7NEY-4LU | data/7N/7NEY-4LU/7NEY-4LU_ligand.pdbqt | data/7N/7NEY-4LU/7NEY-4LU_target.pdbqt | data/7N/7NEY-4LU/7NEY-4LU_decoys.pdbqt | data/7N/7NEY-4LU/7NEY-4LU_decoy_scores.csv |
7N7C-FON | data/7N/7N7C-FON/7N7C-FON_ligand.pdbqt | data/7N/7N7C-FON/7N7C-FON_target.pdbqt | data/7N/7N7C-FON/7N7C-FON_decoys.pdbqt | data/7N/7N7C-FON/7N7C-FON_decoy_scores.csv |
7NXO-UU8 | data/7N/7NXO-UU8/7NXO-UU8_ligand.pdbqt | data/7N/7NXO-UU8/7NXO-UU8_target.pdbqt | data/7N/7NXO-UU8/7NXO-UU8_decoys.pdbqt | data/7N/7NXO-UU8/7NXO-UU8_decoy_scores.csv |
7NU2-USB | data/7N/7NU2-USB/7NU2-USB_ligand.pdbqt | data/7N/7NU2-USB/7NU2-USB_target.pdbqt | data/7N/7NU2-USB/7NU2-USB_decoys.pdbqt | data/7N/7NU2-USB/7NU2-USB_decoy_scores.csv |
7NKJ-ATP | data/7N/7NKJ-ATP/7NKJ-ATP_ligand.pdbqt | data/7N/7NKJ-ATP/7NKJ-ATP_target.pdbqt | data/7N/7NKJ-ATP/7NKJ-ATP_decoys.pdbqt | data/7N/7NKJ-ATP/7NKJ-ATP_decoy_scores.csv |
7NMK-UJH | data/7N/7NMK-UJH/7NMK-UJH_ligand.pdbqt | data/7N/7NMK-UJH/7NMK-UJH_target.pdbqt | data/7N/7NMK-UJH/7NMK-UJH_decoys.pdbqt | data/7N/7NMK-UJH/7NMK-UJH_decoy_scores.csv |
7N8F-R3J | data/7N/7N8F-R3J/7N8F-R3J_ligand.pdbqt | data/7N/7N8F-R3J/7N8F-R3J_target.pdbqt | data/7N/7N8F-R3J/7N8F-R3J_decoys.pdbqt | data/7N/7N8F-R3J/7N8F-R3J_decoy_scores.csv |
7NWS-UT8 | data/7N/7NWS-UT8/7NWS-UT8_ligand.pdbqt | data/7N/7NWS-UT8/7NWS-UT8_target.pdbqt | data/7N/7NWS-UT8/7NWS-UT8_decoys.pdbqt | data/7N/7NWS-UT8/7NWS-UT8_decoy_scores.csv |
7NF4-BYN | data/7N/7NF4-BYN/7NF4-BYN_ligand.pdbqt | data/7N/7NF4-BYN/7NF4-BYN_target.pdbqt | data/7N/7NF4-BYN/7NF4-BYN_decoys.pdbqt | data/7N/7NF4-BYN/7NF4-BYN_decoy_scores.csv |
7N72-LMT | data/7N/7N72-LMT/7N72-LMT_ligand.pdbqt | data/7N/7N72-LMT/7N72-LMT_target.pdbqt | null | null |
7N4Z-08N | data/7N/7N4Z-08N/7N4Z-08N_ligand.pdbqt | data/7N/7N4Z-08N/7N4Z-08N_target.pdbqt | data/7N/7N4Z-08N/7N4Z-08N_decoys.pdbqt | data/7N/7N4Z-08N/7N4Z-08N_decoy_scores.csv |
7NGI-U9T | data/7N/7NGI-U9T/7NGI-U9T_ligand.pdbqt | data/7N/7NGI-U9T/7NGI-U9T_target.pdbqt | data/7N/7NGI-U9T/7NGI-U9T_decoys.pdbqt | data/7N/7NGI-U9T/7NGI-U9T_decoy_scores.csv |
7N68-0VL | data/7N/7N68-0VL/7N68-0VL_ligand.pdbqt | data/7N/7N68-0VL/7N68-0VL_target.pdbqt | data/7N/7N68-0VL/7N68-0VL_decoys.pdbqt | data/7N/7N68-0VL/7N68-0VL_decoy_scores.csv |
7NZG-UWQ | data/7N/7NZG-UWQ/7NZG-UWQ_ligand.pdbqt | data/7N/7NZG-UWQ/7NZG-UWQ_target.pdbqt | data/7N/7NZG-UWQ/7NZG-UWQ_decoys.pdbqt | data/7N/7NZG-UWQ/7NZG-UWQ_decoy_scores.csv |
7NQO-ULZ | data/7N/7NQO-ULZ/7NQO-ULZ_ligand.pdbqt | data/7N/7NQO-ULZ/7NQO-ULZ_target.pdbqt | data/7N/7NQO-ULZ/7NQO-ULZ_decoys.pdbqt | data/7N/7NQO-ULZ/7NQO-ULZ_decoy_scores.csv |
7NTG-F6R | data/7N/7NTG-F6R/7NTG-F6R_ligand.pdbqt | data/7N/7NTG-F6R/7NTG-F6R_target.pdbqt | data/7N/7NTG-F6R/7NTG-F6R_decoys.pdbqt | data/7N/7NTG-F6R/7NTG-F6R_decoy_scores.csv |
7NGG-U9W | data/7N/7NGG-U9W/7NGG-U9W_ligand.pdbqt | data/7N/7NGG-U9W/7NGG-U9W_target.pdbqt | data/7N/7NGG-U9W/7NGG-U9W_decoys.pdbqt | data/7N/7NGG-U9W/7NGG-U9W_decoy_scores.csv |
7NQM-UMZ | data/7N/7NQM-UMZ/7NQM-UMZ_ligand.pdbqt | data/7N/7NQM-UMZ/7NQM-UMZ_target.pdbqt | data/7N/7NQM-UMZ/7NQM-UMZ_decoys.pdbqt | data/7N/7NQM-UMZ/7NQM-UMZ_decoy_scores.csv |
7NE2-U8W | data/7N/7NE2-U8W/7NE2-U8W_ligand.pdbqt | data/7N/7NE2-U8W/7NE2-U8W_target.pdbqt | data/7N/7NE2-U8W/7NE2-U8W_decoys.pdbqt | data/7N/7NE2-U8W/7NE2-U8W_decoy_scores.csv |
7NRE-C8E | data/7N/7NRE-C8E/7NRE-C8E_ligand.pdbqt | data/7N/7NRE-C8E/7NRE-C8E_target.pdbqt | data/7N/7NRE-C8E/7NRE-C8E_decoys.pdbqt | data/7N/7NRE-C8E/7NRE-C8E_decoy_scores.csv |
7NXT-UVE | data/7N/7NXT-UVE/7NXT-UVE_ligand.pdbqt | data/7N/7NXT-UVE/7NXT-UVE_target.pdbqt | data/7N/7NXT-UVE/7NXT-UVE_decoys.pdbqt | data/7N/7NXT-UVE/7NXT-UVE_decoy_scores.csv |
7NUG-USE | data/7N/7NUG-USE/7NUG-USE_ligand.pdbqt | data/7N/7NUG-USE/7NUG-USE_target.pdbqt | data/7N/7NUG-USE/7NUG-USE_decoys.pdbqt | data/7N/7NUG-USE/7NUG-USE_decoy_scores.csv |
7N2A-07F | data/7N/7N2A-07F/7N2A-07F_ligand.pdbqt | data/7N/7N2A-07F/7N2A-07F_target.pdbqt | data/7N/7N2A-07F/7N2A-07F_decoys.pdbqt | data/7N/7N2A-07F/7N2A-07F_decoy_scores.csv |
7NLQ-97T | data/7N/7NLQ-97T/7NLQ-97T_ligand.pdbqt | data/7N/7NLQ-97T/7NLQ-97T_target.pdbqt | data/7N/7NLQ-97T/7NLQ-97T_decoys.pdbqt | data/7N/7NLQ-97T/7NLQ-97T_decoy_scores.csv |
7NTB-URH | data/7N/7NTB-URH/7NTB-URH_ligand.pdbqt | data/7N/7NTB-URH/7NTB-URH_target.pdbqt | data/7N/7NTB-URH/7NTB-URH_decoys.pdbqt | data/7N/7NTB-URH/7NTB-URH_decoy_scores.csv |
7NA3-1I3 | data/7N/7NA3-1I3/7NA3-1I3_ligand.pdbqt | data/7N/7NA3-1I3/7NA3-1I3_target.pdbqt | data/7N/7NA3-1I3/7NA3-1I3_decoys.pdbqt | data/7N/7NA3-1I3/7NA3-1I3_decoy_scores.csv |
7NB4-PG6 | data/7N/7NB4-PG6/7NB4-PG6_ligand.pdbqt | data/7N/7NB4-PG6/7NB4-PG6_target.pdbqt | data/7N/7NB4-PG6/7NB4-PG6_decoys.pdbqt | data/7N/7NB4-PG6/7NB4-PG6_decoy_scores.csv |
7NEF-ZDC | data/7N/7NEF-ZDC/7NEF-ZDC_ligand.pdbqt | data/7N/7NEF-ZDC/7NEF-ZDC_target.pdbqt | data/7N/7NEF-ZDC/7NEF-ZDC_decoys.pdbqt | data/7N/7NEF-ZDC/7NEF-ZDC_decoy_scores.csv |
7N8O-BCR | data/7N/7N8O-BCR/7N8O-BCR_ligand.pdbqt | data/7N/7N8O-BCR/7N8O-BCR_target.pdbqt | data/7N/7N8O-BCR/7N8O-BCR_decoys.pdbqt | data/7N/7N8O-BCR/7N8O-BCR_decoy_scores.csv |
7NLD-UGZ | data/7N/7NLD-UGZ/7NLD-UGZ_ligand.pdbqt | data/7N/7NLD-UGZ/7NLD-UGZ_target.pdbqt | data/7N/7NLD-UGZ/7NLD-UGZ_decoys.pdbqt | data/7N/7NLD-UGZ/7NLD-UGZ_decoy_scores.csv |
7NR6-UO8 | data/7N/7NR6-UO8/7NR6-UO8_ligand.pdbqt | data/7N/7NR6-UO8/7NR6-UO8_target.pdbqt | data/7N/7NR6-UO8/7NR6-UO8_decoys.pdbqt | data/7N/7NR6-UO8/7NR6-UO8_decoy_scores.csv |
7N7U-0MI | data/7N/7N7U-0MI/7N7U-0MI_ligand.pdbqt | data/7N/7N7U-0MI/7N7U-0MI_target.pdbqt | data/7N/7N7U-0MI/7N7U-0MI_decoys.pdbqt | data/7N/7N7U-0MI/7N7U-0MI_decoy_scores.csv |
7N6V-478 | data/7N/7N6V-478/7N6V-478_ligand.pdbqt | data/7N/7N6V-478/7N6V-478_target.pdbqt | data/7N/7N6V-478/7N6V-478_decoys.pdbqt | data/7N/7N6V-478/7N6V-478_decoy_scores.csv |
7NGD-UAB | data/7N/7NGD-UAB/7NGD-UAB_ligand.pdbqt | data/7N/7NGD-UAB/7NGD-UAB_target.pdbqt | data/7N/7NGD-UAB/7NGD-UAB_decoys.pdbqt | data/7N/7NGD-UAB/7NGD-UAB_decoy_scores.csv |
7NR3-UO5 | data/7N/7NR3-UO5/7NR3-UO5_ligand.pdbqt | data/7N/7NR3-UO5/7NR3-UO5_target.pdbqt | data/7N/7NR3-UO5/7NR3-UO5_decoys.pdbqt | data/7N/7NR3-UO5/7NR3-UO5_decoy_scores.csv |
7NH4-UCE | data/7N/7NH4-UCE/7NH4-UCE_ligand.pdbqt | data/7N/7NH4-UCE/7NH4-UCE_target.pdbqt | data/7N/7NH4-UCE/7NH4-UCE_decoys.pdbqt | data/7N/7NH4-UCE/7NH4-UCE_decoy_scores.csv |
7NF5-ALD | data/7N/7NF5-ALD/7NF5-ALD_ligand.pdbqt | data/7N/7NF5-ALD/7NF5-ALD_target.pdbqt | data/7N/7NF5-ALD/7NF5-ALD_decoys.pdbqt | data/7N/7NF5-ALD/7NF5-ALD_decoy_scores.csv |
6A0O-FMN | data/6A/6A0O-FMN/6A0O-FMN_ligand.pdbqt | data/6A/6A0O-FMN/6A0O-FMN_target.pdbqt | data/6A/6A0O-FMN/6A0O-FMN_decoys.pdbqt | data/6A/6A0O-FMN/6A0O-FMN_decoy_scores.csv |
6A8A-ATP | data/6A/6A8A-ATP/6A8A-ATP_ligand.pdbqt | data/6A/6A8A-ATP/6A8A-ATP_target.pdbqt | data/6A/6A8A-ATP/6A8A-ATP_decoys.pdbqt | data/6A/6A8A-ATP/6A8A-ATP_decoy_scores.csv |
6AG3-9XC | data/6A/6AG3-9XC/6AG3-9XC_ligand.pdbqt | data/6A/6AG3-9XC/6AG3-9XC_target.pdbqt | data/6A/6AG3-9XC/6AG3-9XC_decoys.pdbqt | data/6A/6AG3-9XC/6AG3-9XC_decoy_scores.csv |
6A39-B8C | data/6A/6A39-B8C/6A39-B8C_ligand.pdbqt | data/6A/6A39-B8C/6A39-B8C_target.pdbqt | data/6A/6A39-B8C/6A39-B8C_decoys.pdbqt | data/6A/6A39-B8C/6A39-B8C_decoy_scores.csv |
6AAQ-9U9 | data/6A/6AAQ-9U9/6AAQ-9U9_ligand.pdbqt | data/6A/6AAQ-9U9/6AAQ-9U9_target.pdbqt | data/6A/6AAQ-9U9/6AAQ-9U9_decoys.pdbqt | data/6A/6AAQ-9U9/6AAQ-9U9_decoy_scores.csv |
6ABA-RET | data/6A/6ABA-RET/6ABA-RET_ligand.pdbqt | data/6A/6ABA-RET/6ABA-RET_target.pdbqt | data/6A/6ABA-RET/6ABA-RET_decoys.pdbqt | data/6A/6ABA-RET/6ABA-RET_decoy_scores.csv |
6AB2-ATP | data/6A/6AB2-ATP/6AB2-ATP_ligand.pdbqt | data/6A/6AB2-ATP/6AB2-ATP_target.pdbqt | data/6A/6AB2-ATP/6AB2-ATP_decoys.pdbqt | data/6A/6AB2-ATP/6AB2-ATP_decoy_scores.csv |
6AUW-W80 | data/6A/6AUW-W80/6AUW-W80_ligand.pdbqt | data/6A/6AUW-W80/6AUW-W80_target.pdbqt | data/6A/6AUW-W80/6AUW-W80_decoys.pdbqt | data/6A/6AUW-W80/6AUW-W80_decoy_scores.csv |
6AWG-ATP | data/6A/6AWG-ATP/6AWG-ATP_ligand.pdbqt | data/6A/6AWG-ATP/6AWG-ATP_target.pdbqt | data/6A/6AWG-ATP/6AWG-ATP_decoys.pdbqt | data/6A/6AWG-ATP/6AWG-ATP_decoy_scores.csv |
6AFA-ISN | data/6A/6AFA-ISN/6AFA-ISN_ligand.pdbqt | data/6A/6AFA-ISN/6AFA-ISN_target.pdbqt | data/6A/6AFA-ISN/6AFA-ISN_decoys.pdbqt | data/6A/6AFA-ISN/6AFA-ISN_decoy_scores.csv |
6A7S-NGA | data/6A/6A7S-NGA/6A7S-NGA_ligand.pdbqt | data/6A/6A7S-NGA/6A7S-NGA_target.pdbqt | data/6A/6A7S-NGA/6A7S-NGA_decoys.pdbqt | data/6A/6A7S-NGA/6A7S-NGA_decoy_scores.csv |
6ADY-ADP | data/6A/6ADY-ADP/6ADY-ADP_ligand.pdbqt | data/6A/6ADY-ADP/6ADY-ADP_target.pdbqt | data/6A/6ADY-ADP/6ADY-ADP_decoys.pdbqt | data/6A/6ADY-ADP/6ADY-ADP_decoy_scores.csv |
6AUX-W82 | data/6A/6AUX-W82/6AUX-W82_ligand.pdbqt | data/6A/6AUX-W82/6AUX-W82_target.pdbqt | data/6A/6AUX-W82/6AUX-W82_decoys.pdbqt | data/6A/6AUX-W82/6AUX-W82_decoy_scores.csv |
6AN9-ADP | data/6A/6AN9-ADP/6AN9-ADP_ligand.pdbqt | data/6A/6AN9-ADP/6AN9-ADP_target.pdbqt | data/6A/6AN9-ADP/6AN9-ADP_decoys.pdbqt | data/6A/6AN9-ADP/6AN9-ADP_decoy_scores.csv |
6AIX-A3P | data/6A/6AIX-A3P/6AIX-A3P_ligand.pdbqt | data/6A/6AIX-A3P/6AIX-A3P_target.pdbqt | data/6A/6AIX-A3P/6AIX-A3P_decoys.pdbqt | data/6A/6AIX-A3P/6AIX-A3P_decoy_scores.csv |
6ANG-AMP | data/6A/6ANG-AMP/6ANG-AMP_ligand.pdbqt | data/6A/6ANG-AMP/6ANG-AMP_target.pdbqt | data/6A/6ANG-AMP/6ANG-AMP_decoys.pdbqt | data/6A/6ANG-AMP/6ANG-AMP_decoy_scores.csv |
6AVL-XYS | data/6A/6AVL-XYS/6AVL-XYS_ligand.pdbqt | data/6A/6AVL-XYS/6AVL-XYS_target.pdbqt | data/6A/6AVL-XYS/6AVL-XYS_decoys.pdbqt | data/6A/6AVL-XYS/6AVL-XYS_decoy_scores.csv |
6A3J-NAI | data/6A/6A3J-NAI/6A3J-NAI_ligand.pdbqt | data/6A/6A3J-NAI/6A3J-NAI_target.pdbqt | data/6A/6A3J-NAI/6A3J-NAI_decoys.pdbqt | data/6A/6A3J-NAI/6A3J-NAI_decoy_scores.csv |
6AY3-C3J | data/6A/6AY3-C3J/6AY3-C3J_ligand.pdbqt | data/6A/6AY3-C3J/6AY3-C3J_target.pdbqt | data/6A/6AY3-C3J/6AY3-C3J_decoys.pdbqt | data/6A/6AY3-C3J/6AY3-C3J_decoy_scores.csv |
6AWW-BZJ | data/6A/6AWW-BZJ/6AWW-BZJ_ligand.pdbqt | data/6A/6AWW-BZJ/6AWW-BZJ_target.pdbqt | data/6A/6AWW-BZJ/6AWW-BZJ_decoys.pdbqt | data/6A/6AWW-BZJ/6AWW-BZJ_decoy_scores.csv |
6A1G-9OL | data/6A/6A1G-9OL/6A1G-9OL_ligand.pdbqt | data/6A/6A1G-9OL/6A1G-9OL_target.pdbqt | data/6A/6A1G-9OL/6A1G-9OL_decoys.pdbqt | data/6A/6A1G-9OL/6A1G-9OL_decoy_scores.csv |
6AHE-NAD | data/6A/6AHE-NAD/6AHE-NAD_ligand.pdbqt | data/6A/6AHE-NAD/6AHE-NAD_target.pdbqt | data/6A/6AHE-NAD/6AHE-NAD_decoys.pdbqt | data/6A/6AHE-NAD/6AHE-NAD_decoy_scores.csv |
6ABL-ATP | data/6A/6ABL-ATP/6ABL-ATP_ligand.pdbqt | data/6A/6ABL-ATP/6ABL-ATP_target.pdbqt | data/6A/6ABL-ATP/6ABL-ATP_decoys.pdbqt | data/6A/6ABL-ATP/6ABL-ATP_decoy_scores.csv |
6ABU-NAD | data/6A/6ABU-NAD/6ABU-NAD_ligand.pdbqt | data/6A/6ABU-NAD/6ABU-NAD_target.pdbqt | data/6A/6ABU-NAD/6ABU-NAD_decoys.pdbqt | data/6A/6ABU-NAD/6ABU-NAD_decoy_scores.csv |
6ABP-ARA | data/6A/6ABP-ARA/6ABP-ARA_ligand.pdbqt | data/6A/6ABP-ARA/6ABP-ARA_target.pdbqt | data/6A/6ABP-ARA/6ABP-ARA_decoys.pdbqt | data/6A/6ABP-ARA/6ABP-ARA_decoy_scores.csv |
6AQH-KRS | data/6A/6AQH-KRS/6AQH-KRS_ligand.pdbqt | data/6A/6AQH-KRS/6AQH-KRS_target.pdbqt | data/6A/6AQH-KRS/6AQH-KRS_decoys.pdbqt | data/6A/6AQH-KRS/6AQH-KRS_decoy_scores.csv |
6A6P-PE3 | data/6A/6A6P-PE3/6A6P-PE3_ligand.pdbqt | data/6A/6A6P-PE3/6A6P-PE3_target.pdbqt | data/6A/6A6P-PE3/6A6P-PE3_decoys.pdbqt | data/6A/6A6P-PE3/6A6P-PE3_decoy_scores.csv |
6AM9-PLS | data/6A/6AM9-PLS/6AM9-PLS_ligand.pdbqt | data/6A/6AM9-PLS/6AM9-PLS_target.pdbqt | data/6A/6AM9-PLS/6AM9-PLS_decoys.pdbqt | data/6A/6AM9-PLS/6AM9-PLS_decoy_scores.csv |
6ARY-FLC | data/6A/6ARY-FLC/6ARY-FLC_ligand.pdbqt | data/6A/6ARY-FLC/6ARY-FLC_target.pdbqt | data/6A/6ARY-FLC/6ARY-FLC_decoys.pdbqt | data/6A/6ARY-FLC/6ARY-FLC_decoy_scores.csv |
6AFJ-73G | data/6A/6AFJ-73G/6AFJ-73G_ligand.pdbqt | data/6A/6AFJ-73G/6AFJ-73G_target.pdbqt | data/6A/6AFJ-73G/6AFJ-73G_decoys.pdbqt | data/6A/6AFJ-73G/6AFJ-73G_decoy_scores.csv |
6ASL-FMN | data/6A/6ASL-FMN/6ASL-FMN_ligand.pdbqt | data/6A/6ASL-FMN/6ASL-FMN_target.pdbqt | data/6A/6ASL-FMN/6ASL-FMN_decoys.pdbqt | data/6A/6ASL-FMN/6ASL-FMN_decoy_scores.csv |
6AV2-BY7 | data/6A/6AV2-BY7/6AV2-BY7_ligand.pdbqt | data/6A/6AV2-BY7/6AV2-BY7_target.pdbqt | data/6A/6AV2-BY7/6AV2-BY7_decoys.pdbqt | data/6A/6AV2-BY7/6AV2-BY7_decoy_scores.csv |
6AQ7-TCE | data/6A/6AQ7-TCE/6AQ7-TCE_ligand.pdbqt | data/6A/6AQ7-TCE/6AQ7-TCE_target.pdbqt | data/6A/6AQ7-TCE/6AQ7-TCE_decoys.pdbqt | data/6A/6AQ7-TCE/6AQ7-TCE_decoy_scores.csv |
6AAN-9TX | data/6A/6AAN-9TX/6AAN-9TX_ligand.pdbqt | data/6A/6AAN-9TX/6AAN-9TX_target.pdbqt | data/6A/6AAN-9TX/6AAN-9TX_decoys.pdbqt | data/6A/6AAN-9TX/6AAN-9TX_decoy_scores.csv |
6A6U-FSA | data/6A/6A6U-FSA/6A6U-FSA_ligand.pdbqt | data/6A/6A6U-FSA/6A6U-FSA_target.pdbqt | data/6A/6A6U-FSA/6A6U-FSA_decoys.pdbqt | data/6A/6A6U-FSA/6A6U-FSA_decoy_scores.csv |
6AT2-ATP | data/6A/6AT2-ATP/6AT2-ATP_ligand.pdbqt | data/6A/6AT2-ATP/6AT2-ATP_target.pdbqt | data/6A/6AT2-ATP/6AT2-ATP_decoys.pdbqt | data/6A/6AT2-ATP/6AT2-ATP_decoy_scores.csv |
6ALZ-BKM | data/6A/6ALZ-BKM/6ALZ-BKM_ligand.pdbqt | data/6A/6ALZ-BKM/6ALZ-BKM_target.pdbqt | data/6A/6ALZ-BKM/6ALZ-BKM_decoys.pdbqt | data/6A/6ALZ-BKM/6ALZ-BKM_decoy_scores.csv |
6A2W-LMT | data/6A/6A2W-LMT/6A2W-LMT_ligand.pdbqt | data/6A/6A2W-LMT/6A2W-LMT_target.pdbqt | data/6A/6A2W-LMT/6A2W-LMT_decoys.pdbqt | data/6A/6A2W-LMT/6A2W-LMT_decoy_scores.csv |
6A13-FMN | data/6A/6A13-FMN/6A13-FMN_ligand.pdbqt | data/6A/6A13-FMN/6A13-FMN_target.pdbqt | data/6A/6A13-FMN/6A13-FMN_decoys.pdbqt | data/6A/6A13-FMN/6A13-FMN_decoy_scores.csv |
6A2C-FPP | data/6A/6A2C-FPP/6A2C-FPP_ligand.pdbqt | data/6A/6A2C-FPP/6A2C-FPP_target.pdbqt | data/6A/6A2C-FPP/6A2C-FPP_decoys.pdbqt | data/6A/6A2C-FPP/6A2C-FPP_decoy_scores.csv |
6AUY-H4B | data/6A/6AUY-H4B/6AUY-H4B_ligand.pdbqt | data/6A/6AUY-H4B/6AUY-H4B_target.pdbqt | data/6A/6AUY-H4B/6AUY-H4B_decoys.pdbqt | data/6A/6AUY-H4B/6AUY-H4B_decoy_scores.csv |
6A2N-9QR | data/6A/6A2N-9QR/6A2N-9QR_ligand.pdbqt | data/6A/6A2N-9QR/6A2N-9QR_target.pdbqt | data/6A/6A2N-9QR/6A2N-9QR_decoys.pdbqt | data/6A/6A2N-9QR/6A2N-9QR_decoy_scores.csv |
6AWS-QUE | data/6A/6AWS-QUE/6AWS-QUE_ligand.pdbqt | data/6A/6AWS-QUE/6AWS-QUE_target.pdbqt | data/6A/6AWS-QUE/6AWS-QUE_decoys.pdbqt | data/6A/6AWS-QUE/6AWS-QUE_decoy_scores.csv |
6AMB-GNP | data/6A/6AMB-GNP/6AMB-GNP_ligand.pdbqt | data/6A/6AMB-GNP/6AMB-GNP_target.pdbqt | data/6A/6AMB-GNP/6AMB-GNP_decoys.pdbqt | data/6A/6AMB-GNP/6AMB-GNP_decoy_scores.csv |
6ASL-LFN | data/6A/6ASL-LFN/6ASL-LFN_ligand.pdbqt | data/6A/6ASL-LFN/6ASL-LFN_target.pdbqt | data/6A/6ASL-LFN/6ASL-LFN_decoys.pdbqt | data/6A/6ASL-LFN/6ASL-LFN_decoy_scores.csv |
6A99-9UL | data/6A/6A99-9UL/6A99-9UL_ligand.pdbqt | data/6A/6A99-9UL/6A99-9UL_target.pdbqt | data/6A/6A99-9UL/6A99-9UL_decoys.pdbqt | data/6A/6A99-9UL/6A99-9UL_decoy_scores.csv |
6AUV-H4B | data/6A/6AUV-H4B/6AUV-H4B_ligand.pdbqt | data/6A/6AUV-H4B/6AUV-H4B_target.pdbqt | data/6A/6AUV-H4B/6AUV-H4B_decoys.pdbqt | data/6A/6AUV-H4B/6AUV-H4B_decoy_scores.csv |
6AUA-BXJ | data/6A/6AUA-BXJ/6AUA-BXJ_ligand.pdbqt | data/6A/6AUA-BXJ/6AUA-BXJ_target.pdbqt | data/6A/6AUA-BXJ/6AUA-BXJ_decoys.pdbqt | data/6A/6AUA-BXJ/6AUA-BXJ_decoy_scores.csv |
6AUR-W68 | data/6A/6AUR-W68/6AUR-W68_ligand.pdbqt | data/6A/6AUR-W68/6AUR-W68_target.pdbqt | data/6A/6AUR-W68/6AUR-W68_decoys.pdbqt | data/6A/6AUR-W68/6AUR-W68_decoy_scores.csv |
6AWT-28E | data/6A/6AWT-28E/6AWT-28E_ligand.pdbqt | data/6A/6AWT-28E/6AWT-28E_target.pdbqt | data/6A/6AWT-28E/6AWT-28E_decoys.pdbqt | data/6A/6AWT-28E/6AWT-28E_decoy_scores.csv |
6AUZ-W68 | data/6A/6AUZ-W68/6AUZ-W68_ligand.pdbqt | data/6A/6AUZ-W68/6AUZ-W68_target.pdbqt | data/6A/6AUZ-W68/6AUZ-W68_decoys.pdbqt | data/6A/6AUZ-W68/6AUZ-W68_decoy_scores.csv |
6A1A-FMN | data/6A/6A1A-FMN/6A1A-FMN_ligand.pdbqt | data/6A/6A1A-FMN/6A1A-FMN_target.pdbqt | data/6A/6A1A-FMN/6A1A-FMN_decoys.pdbqt | data/6A/6A1A-FMN/6A1A-FMN_decoy_scores.csv |
6ASH-1XF | data/6A/6ASH-1XF/6ASH-1XF_ligand.pdbqt | data/6A/6ASH-1XF/6ASH-1XF_target.pdbqt | data/6A/6ASH-1XF/6ASH-1XF_decoys.pdbqt | data/6A/6ASH-1XF/6ASH-1XF_decoy_scores.csv |
6AUU-MTL | data/6A/6AUU-MTL/6AUU-MTL_ligand.pdbqt | data/6A/6AUU-MTL/6AUU-MTL_target.pdbqt | data/6A/6AUU-MTL/6AUU-MTL_decoys.pdbqt | data/6A/6AUU-MTL/6AUU-MTL_decoy_scores.csv |
6AE9-POG | data/6A/6AE9-POG/6AE9-POG_ligand.pdbqt | data/6A/6AE9-POG/6AE9-POG_target.pdbqt | data/6A/6AE9-POG/6AE9-POG_decoys.pdbqt | data/6A/6AE9-POG/6AE9-POG_decoy_scores.csv |
6A4G-9Q6 | data/6A/6A4G-9Q6/6A4G-9Q6_ligand.pdbqt | data/6A/6A4G-9Q6/6A4G-9Q6_target.pdbqt | data/6A/6A4G-9Q6/6A4G-9Q6_decoys.pdbqt | data/6A/6A4G-9Q6/6A4G-9Q6_decoy_scores.csv |
6AP8-BNY | data/6A/6AP8-BNY/6AP8-BNY_ligand.pdbqt | data/6A/6AP8-BNY/6AP8-BNY_target.pdbqt | data/6A/6AP8-BNY/6AP8-BNY_decoys.pdbqt | data/6A/6AP8-BNY/6AP8-BNY_decoy_scores.csv |
6A0T-CXS | data/6A/6A0T-CXS/6A0T-CXS_ligand.pdbqt | data/6A/6A0T-CXS/6A0T-CXS_target.pdbqt | data/6A/6A0T-CXS/6A0T-CXS_decoys.pdbqt | data/6A/6A0T-CXS/6A0T-CXS_decoy_scores.csv |
6A0B-FMN | data/6A/6A0B-FMN/6A0B-FMN_ligand.pdbqt | data/6A/6A0B-FMN/6A0B-FMN_target.pdbqt | data/6A/6A0B-FMN/6A0B-FMN_decoys.pdbqt | data/6A/6A0B-FMN/6A0B-FMN_decoy_scores.csv |
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