0 B9R0.53 CC(C)CC(O)CC(C)C SBB060165 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.5 CCCC(=O)OC(C)C SBB061106 [1,0,0,0,0,0|1,0,2]=4 2 B8R0.5 CCOC(=O)CC(C)C SBB061114 [1,0,0,0,0,0|1,0,2]=4 3 B8R0.28 CC(=O)OCCC(C)C SBB040873 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.28 CC(C)=CCCC(C)O SBB008067 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.28 CC(C)CCCC(=O)O SBB072713 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.28 CC(C)CNCC(C)C SBB058770 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.28 CC(C)COCC(C)C SBB061320 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.28 CC(C)COCC(C)O SBB061009 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.28 CC(C)CSCC(C)C SBB061180 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.28 CC(C)N=C=NC(C)C SBB056444 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.28 CC(O)CNCC(C)O SBB058768 [1,0,0,0,0,0|3,0,0]=4 12 B10R0.44 CC\C(C)=C\C(C)CC(C)C SBB060470 [0,1,0,0,0,0|1,0,2]=4 13 B10R1.329 CC1CC(N)CC(C)(C)C1 SBB013727 [0,0,0,1,0,0|1,0,0]=2 14 B8R0.23 CC(C)CC(O)C(C)C SBB116858 [0,0,0,0,1,0|0,0,0]=1 15 B8R0.23 CC(C)C[C@H](O)C(=O)O SBB065948 [0,0,0,0,1,0|2,0,1]=4 16 B7R0.2 CCC(O)CN(C)C SBB061151 [2,0,0,0,0,0|1,0,0]=3 17 B7R0.4 CC(C)CCCCBr SBB008833 [2,0,0,0,0,0|1,0,0]=3 18 B7R0.4 CC(C)OCCCN SBB061717 [2,0,0,0,0,0|2,0,0]=4 19 B7R0.4 CCCCCC(C)=O SBB061125 [2,0,0,0,0,0|1,0,1]=4 20 B7R0.4 CCCOCC(C)O SBB061007 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.4 CN(C)CCCCN SBB008514 [2,0,0,0,0,0|2,0,0]=4 22 B7R0.4 CNCCCN(C)C SBB052125 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.4 COCCNC(C)C SBB302570 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.7 CCCC(=O)CCC SBB060386 [2,0,0,0,0,0|0,0,2]=4 25 B7R0.7 CCCC(N)CCC SBB018801 [2,0,0,0,0,0|1,0,0]=3 26 B7R0.7 CCCC(O)CCC SBB061327 [2,0,0,0,0,0|0,0,0]=2 27 B7R0.7 CCCN(C)CCC SBB061592 [2,0,0,0,0,0|2,0,0]=4 28 B9R0.4 CCC#CC(O)CC(C)C SBB009082 [1,1,0,0,0,0|0,0,1]=3 29 B9R0.1 CC(C)COCC(O)CO SBB059926 [1,1,0,0,0,0|2,0,0]=4 30 B9R0.7 CC(C)COC(=O)C(C)C SBB061112 [1,1,0,0,0,0|1,0,1]=4 31 B9R0.56 CC(N)CCCC(C)(C)O SBB003737 [1,1,0,0,0,0|1,0,0]=3 32 B9R0.56 OC(C)(C)CCCC(C)N SBB004116 [1,1,0,0,0,0|1,0,0]=3 33 B11R0.337 CC(C)CC(=O)CNC(C)(C)C SBB002852 [0,1,0,0,0,1|0,0,2]=4 34 B9R1.7 CCCC1OCC(C)O1 SBB060973 [1,0,0,1,0,0|1,0,0]=3 35 B9R1.34 CC1CC(C)CC(C)C1 SBB061287 [1,0,0,1,0,0|1,0,0]=3 36 B9R1.34 CC1CC(O)CN(C)C1 SBB002820 [1,0,0,1,0,0|1,0,0]=3 37 B9R1.34 OC1CC(O)CC(O)C1 SBB061570 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.85 CC(C)COCC1CO1 SBB060097 [1,0,0,1,0,0|2,0,0]=4 39 B11R1.166 CC1CC[C@H](C(C)C)C(O)C1 SBB012356 [0,1,0,1,0,0|0,0,0]=2 40 B11R1.1362 CC1(C)CC(=O)CC(C)(C)N1 SBB003626 [0,1,0,1,0,0|0,0,2]=4 41 B11R1.1362 CC1(C)CC(Cl)CC(C)(C)N1 SBB059015 [0,1,0,1,0,0|1,0,0]=3 42 B11R1.1362 CC1(C)CC(N)CC(C)(C)N1 SBB001789 [0,1,0,1,0,0|1,0,0]=3 43 B11R1.1362 CC1(C)CC(O)CC(C)(C)N1 SBB057290 [0,1,0,1,0,0|0,0,0]=2 44 B11R1.1362 N1C(C)(C)CC(=O)CC1(C)C SBB057185 [0,1,0,1,0,0|0,0,2]=4 45 B11R2.845 CC(N)C1CC2CCC1C2 SBB007064 [0,0,0,2,0,0|2,0,0]=4 46 B7R0.5 CCCC(C)C(C)O SBB061491 [1,0,0,0,1,0|2,0,0]=4 47 B7R0.6 CC(C)CCC(C)N SBB008544 [1,0,0,0,1,0|1,0,0]=3 48 B7R0.6 CC(C)CCC(C)O SBB061318 [1,0,0,0,1,0|1,0,0]=3 49 B7R0.6 CC(C)CNC(C)C SBB046539 [1,0,0,0,1,0|1,0,0]=3 50 B7R0.6 CC(O)COC(C)C SBB061008 [1,0,0,0,1,0|2,0,0]=4 51 B7R0.6 CN(C)CCN(C)C SBB060239 [1,0,0,0,1,0|2,0,0]=4 52 B9R0.48 CCCC(=O)OCC(C)C SBB061108 [1,0,0,0,0,1|0,0,2]=4 53 B9R0.48 CCOC(C)OCC(C)C SBB059867 [1,0,0,0,0,1|2,0,0]=4 54 B9R0.55 CC(C)CSSCC(C)C SBB060845 [1,0,0,0,0,1|1,0,0]=3 55 B11R0.6 CC(C)CCOC(=O)CC(C)C SBB061565 [0,0,0,0,0,2|0,0,2]=4 56 B11R0.85 CC(C)CNC(=S)NCC(C)C SBB007912 [0,0,0,0,0,2|0,1,1]=4 57 B11R0.85 CC(C)COC(C)OCC(C)C SBB059868 [0,0,0,0,0,2|1,0,0]=3