0 B9R0.21 CCC(=O)NCC(C)(C)C CSC011466750 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.21 CNC(=O)CCC(C)(C)N CSC011964573 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.21 COC(=O)C#CC(C)(C)C CSC011966636 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.21 COC(=O)CCC(F)(F)F CSC011217211 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.9 COC(=O)CSC(C)C CSC000151538 [1,0,0,0,0,0|2,0,0]=3 5 B10R0.92 CC(C)C(=O)NCC(C)(C)C CSC011466748 [0,1,0,0,0,0|2,0,0]=3 6 B10R0.109 CC(C)(C)CNC(=O)CC#N CSC011425736 [0,1,0,0,0,0|2,0,1]=4 7 B10R0.109 CCCC(=O)NCC(C)(C)C CSC011466744 [0,1,0,0,0,0|2,0,0]=3 8 B10R0.109 CCOC(=O)CCC(C)(C)C CSC012130662 [0,1,0,0,0,0|1,0,0]=2 9 B10R0.109 CCOC(=O)CCC(C)(F)F CSC000054117 [0,1,0,0,0,0|2,0,0]=3 10 B10R0.109 CCOC(=O)CCC(F)(F)F CSC011215681 [0,1,0,0,0,0|3,0,0]=4 11 B10R0.150 CCS(=O)(=O)NCC(C)(C)C CSC011468209 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.26 CCN1CCC(CC1)(C)C CSC049052113 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.413 CC1(CN(C1)C(=O)CO)O CSC015872163 [0,0,0,1,0,0|2,0,0]=3 14 B10R1.413 COC(=O)C1CC(C1)(F)F CSC009876113 [0,0,0,1,0,0|3,0,0]=4 15 B9R0.7 CC(C)CNC(=O)C(C)C CSC000171983 [1,1,0,0,0,0|1,0,0]=3 16 B9R0.7 CC(C)COC(=O)C(C)C CSC000005786 [1,1,0,0,0,0|1,0,0]=3 17 B9R0.23 CC(C)CC(N)C(=O)NN CSC011965212 [1,1,0,0,0,0|2,0,0]=4 18 B9R0.23 CC(C)CN(C)C(=O)CN CSC011284681 [1,1,0,0,0,0|2,0,0]=4 19 B9R0.23 CNC(=O)C(N)CC(C)C CSC000746592 [1,1,0,0,0,0|1,0,0]=3 20 B9R0.24 CCC(C)CCC(=O)OC CSC000079262 [1,1,0,0,0,0|1,0,0]=3 21 B9R0.42 CCC(=O)NC(C)C(C)C CSC011195746 [1,1,0,0,0,0|1,0,0]=3 22 B9R0.42 COC(=O)NC(C)C(C)C CSC000236162 [1,1,0,0,0,0|2,0,0]=4 23 B9R0.48 CCCC(=O)OCC(C)C CSC000005790 [1,1,0,0,0,0|1,0,0]=3 24 B9R0.48 CCOC(=O)CCC(=O)C CSC011212338 [1,1,0,0,0,0|0,0,2]=4 25 B9R0.48 CCOC(=O)CCC(C)C CSC011212201 [1,1,0,0,0,0|0,0,0]=2 26 B9R0.48 CNCC(=O)NCC(C)C CSC000168150 [1,1,0,0,0,0|1,0,0]=3 27 B9R0.64 CCS(=O)(=O)NCC(C)C CSC000169685 [1,1,0,0,0,0|2,0,0]=4 28 B9R0.22 CCC(=O)NC(C)(C)CC CSC000174106 [0,1,0,0,1,0|2,0,0]=4 29 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C CSC011422891 [0,1,0,0,1,0|2,0,0]=4 30 B11R0.201 COC(=O)CCC(C)(C)[N+](=O)[O-] CSC000042771 [0,2,0,0,0,0|1,0,1]=4 31 B9R1.80 ClCC(=O)NCC1CC1 CSC000736049 [1,0,0,1,0,0|2,0,0]=4 32 B11R1.76 CC(C)(O)CN1CCC(C1)N CSC015332813 [0,0,0,1,0,1|1,0,1]=4 33 B11R1.76 CC(C)(O)CN1CCC(C1)O CSC011773557 [0,0,0,1,0,1|0,0,2]=4 34 B11R1.76 CC(C)(O)CN1CC[C@@H](C1)O CSC012026680 [0,0,0,1,0,1|0,0,2]=4 35 B11R1.76 CC(C)(O)CN1CC[C@H](C1)N CSC012983379 [0,0,0,1,0,1|1,0,1]=4 36 B11R1.76 CC(C)(O)CN1CC[C@H](C1)O CSC012026790 [0,0,0,1,0,1|0,0,2]=4 37 B11R1.866 CCC(=O)N1CCC(C1)(C)O CSC012605656 [0,0,0,1,0,1|0,0,0]=2 38 B11R1.866 CNC(=O)N1CCC(C1)(C)O CSC013666772 [0,0,0,1,0,1|1,0,0]=3 39 B11R1.866 COC(=O)C1CCC(C1)(C)C CSC015445278 [0,0,0,1,0,1|2,0,0]=4 40 B11R1.897 CCC(=O)NC1CC(C1)(F)F CSC015312058 [0,0,0,1,0,1|2,0,0]=4 41 B11R1.1417 CC(C)(C)CNC(=O)C1CC1 CSC011466760 [0,1,0,1,0,0|2,0,0]=4 42 B11R1.821 CC1(CN(C1)C(=O)CC#N)O CSC016019893 [0,1,0,1,0,0|1,0,1]=4 43 B11R1.821 CCNC(=O)C1CC(C1)(F)F CSC015275093 [0,1,0,1,0,0|2,0,0]=4 44 B11R1.859 CNC(=O)NCC1(CCC1)O CSC012130763 [0,1,0,1,0,0|2,0,0]=4 45 B9R0.1 CCC(=O)NCCC(C)C CSC000159400 [1,0,0,0,0,1|0,0,0]=2 46 B9R0.1 COC(=O)CSCC(C)C CSC000151547 [1,0,0,0,0,1|1,0,0]=3 47 B11R0.114 CCC(=O)NCCSC(C)(C)C CSC019654434 [0,0,0,0,0,2|1,0,0]=3