Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50280242=S3P in crystal structure 1G6S

1. BindingDB_50280242.docklog
2. BindingDB_50281988.docklog.results_tab.log
3. BindingDB_50281993.docklog
4. BindingDB_50280240.frags.mol2
5. prot-log.txt
6. BindingDB_50283578.frags.mol2
7. 1G6S-results_BindingDB_50281345.mol2
8. 1G6S.mol2
9. 1G6S_ligand0.mol2
10. BindingDB_50280241.docklog.results_tab.log
11. BindingDB_50281345.frags.mol2
12. BindingDB_50281995.docklog.results_tab.log
13. 1G6S_sdf-log.txt
14. 1G6S-voxthresh-3.pdb
15. 1G6S.pdb
16. 1G6S_water.mol2
17. BindingDB_50281990.docklog.results_tab.log
18. 1G6S-voxthresh-8.pdb
19. 1G6S-results_BindingDB_50281998.mol2
20. BindingDB_50281993.mol2
21. BindingDB_50281994.docklog
22. 1G6S-voxthresh-5.pdb
23. 1G6S-results_BindingDB_50281343.mol2
24. BindingDB_50280239.docklog
25. 1G6S-marked-vox.pdb
26. 1G6S-voxthresh-6.pdb
27. 1G6S-protomol.mol2
28. BindingDB_50281988.docklog.mol2
29. bdb_1G6S_S3P_3D.sdf
30. BindingDB_50281342.mol2
31. bdb_1G6S_S3P_sim.txt
32. BindingDB_50281342.docklog.mol2
33. BindingDB_50281998.mol2
34. BindingDB_50281990.docklog
35. 1G6S_sdf.mol2
36. 1G6S-results_BindingDB_50281993.mol2
37. 1G6S.opt-protein-trim.mol2
38. BindingDB_50280242.mol2
39. BindingDB_50281995.frags.mol2
40. log-results.mol2
41. BindingDB_50281998.frags.mol2
42. 1G6S.Targets
43. BindingDB_50280241.mol2
44. 1G6S-results_BindingDB_50281988.mol2
45. BindingDB_50281341.mol2
46. BindingDB_50281995.mol2
47. BindingDB_50281343.docklog.results_tab.log
48. BindingDB_50281341.frags.mol2
49. BindingDB_50283578.mol2
50. BindingDB_50281345.mol2
51. 1G6S-results_BindingDB_50281995.mol2
52. BindingDB_50281998.docklog.mol2
53. BindingDB_50281990.frags.mol2
54. BindingDB_50281342.docklog.results_tab.log
55. 1G6S-voxthresh-9.pdb
56. BindingDB_50280241.docklog
57. 1G6S-voxthresh-4.pdb
58. log-results_tab.log
59. BindingDB_50281994.docklog.mol2
60. BindingDB_50280239.docklog.results_tab.log
61. BindingDB_50280239.frags.mol2
62. 1G6S-voxthresh-1.pdb
63. protein_sampling.mol2
64. BindingDB_50280241.docklog.mol2
65. 1G6S.csv
66. BindingDB_50280239.mol2
67. 1G6S_congener-log.txt
68. BindingDB_50280239.docklog.mol2
69. BindingDB_50280240.mol2
70. log
71. ligand_sampling.mol2
72. 1G6S-results_BindingDB_50281341.mol2
73. 1G6S_ligand1.mol2
74. BindingDB_50281343.frags.mol2
75. 1G6S-marked-protein.pdb
76. 1G6S-results_BindingDB_50281990.mol2
77. BindingDB_50281993.docklog.results_tab.log
78. BindingDB_50281345.docklog.mol2
79. BindingDB_50281343.docklog
80. BindingDB_50281341.docklog.mol2
81. scale
82. frag2.mol2
83. BindingDB_50280240.docklog
84. BindingDB_50280240.docklog.results_tab.log
85. prot.mol2
86. 1G6S-results_BindingDB_50280239.mol2
87. BindingDB_50281993.docklog.mol2
88. 1G6S-results.mol2
89. BindingDB_50281988.docklog
90. BindingDB_50280242.docklog.results_tab.log
91. BindingDB_50281342.frags.mol2
92. BindingDB_50281990.mol2
93. S3P.sdf
94. BindingDB_50280242.frags.mol2
95. BindingDB_50281988.frags.mol2
96. BindingDB_50281342.docklog
97. BindingDB_50281341.docklog.results_tab.log
98. BindingDB_50281994.frags.mol2
99. 1G6S_congener.mol2
100. 1G6S-voxthresh-2.pdb
101. BindingDB_50281345.docklog
102. BindingDB_50280242.docklog.mol2
103. BindingDB_50283578.docklog.mol2
104. BindingDB_50281993.frags.mol2
105. BindingDB_50281341.docklog
106. 1G6S-voxthresh-0.pdb
107. 1G6S-results_tab.log
108. BindingDB_50281988.mol2
109. BindingDB_50281343.docklog.mol2
110. BindingDB_50283578.docklog.results_tab.log
111. BindingDB_50281995.docklog.mol2
112. BindingDB_50283578.docklog
113. 1G6S-voxthresh-10.pdb
114. BindingDB_50281998.docklog.results_tab.log
115. BindingDB_50281998.docklog
116. 1G6S-voxthresh-7.pdb
117. BindingDB_50281345.docklog.results_tab.log
118. BindingDB_50281343.mol2
119. BindingDB_50281994.mol2
120. BindingDB_50281994.docklog.results_tab.log
121. frag1.mol2
122. BindingDB_50281995.docklog
123. 1G6S-results_BindingDB_50280242.mol2
124. BindingDB_50280240.docklog.mol2
125. BindingDB_50281990.docklog.mol2
126. 1G6S-results_BindingDB_50280241.mol2
127. 1G6S-results_BindingDB_50280240.mol2
128. BindingDB_50280241.frags.mol2