0 B11R0.62 CCOC(=O)C#CC(=O)OCC SBB065773 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.62 CCOC(=O)CCC(=O)OCC SBB040923 [0,0,0,0,0,0|0,0,0]=0 2 B11R0.62 CCOC(=O)CSC(=O)OCC SBB054128 [0,0,0,0,0,0|1,0,0]=1 3 B11R0.62 CCOC(=O)NNC(=O)OCC SBB069555 [0,0,0,0,0,0|2,0,0]=2 4 B11R0.62 CCOC(=O)\C=C/C(=O)OCC SBB060698 [0,0,0,0,0,0|0,0,2]=2 5 B10R0.1 CCCCCCC(=O)OCC SBB061117 [1,0,0,0,0,0|1,0,1]=3 6 B10R0.1 CCOC(=O)CCCCCBr SBB006556 [1,0,0,0,0,0|2,0,1]=4 7 B10R0.108 CCOC(=O)CNC(=O)CCl SBB003757 [1,0,0,0,0,0|2,0,0]=3 8 B12R0.69 CCOC(=O)\C=C(/O)C(=O)OCC SBB054121 [0,1,0,0,0,0|0,0,2]=3 9 B12R0.69 CCOC(=O)\C=C(/[O-])C(=O)OCC SBB061678 [0,1,0,0,0,0|0,0,2]=3 10 B12R1.17 CCOC(=O)C1CCCC(=O)C1 SBB054035 [0,0,0,1,0,0|1,0,0]=2 11 B12R1.17 CCOC(=O)C1CCCN(C)C1 SBB057245 [0,0,0,1,0,0|3,0,0]=4 12 B12R1.51 CCOC(=O)CCN1CCCC1 SBB046590 [0,0,0,1,0,0|3,0,0]=4 13 B12R1.318 CCOC(=O)CN1CCCC1=O SBB088501 [0,0,0,1,0,0|2,0,0]=3 14 B10R0.2 CCCC(=O)CC(=O)OCC SBB061679 [0,0,0,0,1,0|1,0,0]=2 15 B10R0.2 CCCC(=O)OC(=O)CCC SBB040852 [0,0,0,0,1,0|3,0,0]=4 16 B10R0.2 CCNC(=O)CC(=O)NCC SBB000126 [0,0,0,0,1,0|2,0,0]=3 17 B10R0.2 CCNC(C)CC(=O)OCC SBB046533 [0,0,0,0,1,0|2,0,1]=4 18 B10R0.2 CCOC(=N)CC(=O)OCC SBB002620 [0,0,0,0,1,0|1,0,0]=2 19 B10R0.2 CCOC(=O)CC(=O)OCC SBB040813 [0,0,0,0,1,0|0,0,0]=1 20 B10R0.2 CCOC(=O)NC(=O)OCC SBB008155 [0,0,0,0,1,0|1,0,0]=2 21 B10R0.2 CCOC(=O)\C=C(/C)OCC SBB058446 [0,0,0,0,1,0|1,0,1]=3 22 B10R0.2 CCOC(=O)\C=C(/N)OCC SBB003590 [0,0,0,0,1,0|1,0,1]=3 23 B12R0.285 CCOC(=O)COCC(=O)OCC SBB060771 [0,0,0,0,0,1|0,0,0]=1 24 B12R0.285 CCOC(=O)NCNC(=O)OCC SBB071461 [0,0,0,0,0,1|1,0,0]=2 25 B9R0.5 CCCCCC(=O)CCC SBB005828 [2,0,0,0,0,0|1,0,1]=4 26 B9R0.5 CCCCCC(=O)OCC SBB060316 [2,0,0,0,0,0|0,0,1]=3 27 B9R0.5 CCOC(=O)CCCCBr SBB070781 [2,0,0,0,0,0|1,0,1]=4 28 B9R0.5 CCO\C=C\C(=O)OCC SBB086340 [2,0,0,0,0,0|0,0,1]=3 29 B9R0.46 CCCCCCC(=O)CC SBB007744 [2,0,0,0,0,0|1,0,1]=4 30 B9R0.46 CCCCCCC(=O)OC SBB060317 [2,0,0,0,0,0|1,0,1]=4 31 B9R0.24 COC(=O)C#CC(=O)OC SBB065774 [2,0,0,0,0,0|0,0,2]=4 32 B9R0.24 COC(=O)CCC(=O)OC SBB040934 [2,0,0,0,0,0|0,0,0]=2 33 B9R0.24 COC(=O)\C=C\C(=O)OC SBB008222 [2,0,0,0,0,0|0,0,2]=4 34 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [2,0,0,0,0,0|1,0,0]=3 35 B9R0.48 CCOC(=O)CNC(C)=O SBB061661 [2,0,0,0,0,0|1,0,0]=3 36 B9R0.48 CCOC(=O)CNC(N)=O SBB086470 [2,0,0,0,0,0|2,0,0]=4 37 B9R0.48 CCOC(=O)\C=C\C(=O)O SBB065780 [2,0,0,0,0,0|0,0,2]=4 38 B9R0.48 OC(=O)CSC(=S)OCC SBB058117 [2,0,0,0,0,0|1,1,0]=4 39 B11R0.4 CCCCCCCC(=O)OCC SBB061059 [1,1,0,0,0,0|1,0,1]=4 40 B11R0.4 CCCCNCCC(=O)OCC SBB056920 [1,1,0,0,0,0|1,0,1]=4 41 B11R0.4 CCCCSCCC(=O)OCC SBB001706 [1,1,0,0,0,0|1,0,1]=4 42 B11R0.43 CCOC(=O)C(=O)CC(=O)CC SBB026562 [1,1,0,0,0,0|0,0,1]=3 43 B11R0.177 CCOC(=O)C(Br)C(=O)OCC SBB070853 [0,1,0,0,1,0|0,0,0]=2 44 B11R0.177 CCOC(=O)C(F)C(=O)OCC SBB089387 [0,1,0,0,1,0|0,0,0]=2 45 B11R0.177 [NH3+]C(C(=O)OCC)C(=O)OCC SBB061662 [0,1,0,0,1,0|0,0,0]=2 46 B11R0.182 CCOC(=O)\C=C(\CBr)OCC SBB098732 [0,1,0,0,1,0|1,0,1]=4 47 B13R0.18 CCOC(=O)CC[C@H](N)C(=O)OCC SBB070649 [0,1,0,0,0,1|0,0,0]=2 48 B13R0.674 CCOC(=O)C(=O)C(C)C(=O)OCC SBB061689 [0,2,0,0,0,0|0,0,1]=3 49 B13R0.176 CCCOC(=O)CCC(=O)OCCC SBB008393 [0,2,0,0,0,0|0,0,0]=2 50 B13R0.461 CCCCS(=O)(=O)CCC(=O)OCC SBB019268 [0,2,0,0,0,0|2,0,0]=4 51 B13R0.76 CC(C)OC(=O)\N=N\C(=O)OC(C)C SBB057884 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.16 CCOC(=O)C1CCCNC1 SBB027354 [1,0,0,1,0,0|2,0,0]=4 53 B11R1.16 CCOC(=O)C1CCNCC1 SBB004006 [1,0,0,1,0,0|1,0,1]=4 54 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 SBB054010 [1,0,0,1,0,0|2,0,0]=4 55 B11R1.16 CCOC(=O)[C@H]1CCCNC1 SBB066252 [1,0,0,1,0,0|2,0,0]=4 56 B11R1.15 CCOC(=O)C1=NOC(=O)C1 SBB073481 [1,0,0,1,0,0|1,0,1]=4 57 B11R1.15 N1C(=O)CC[C@@H]1C(=O)OCC SBB017510 [1,0,0,1,0,0|1,0,0]=3 58 B11R1.15 N1C(=O)CC[C@H]1C(=O)OCC SBB017516 [1,0,0,1,0,0|1,0,0]=3 59 B11R1.334 CCOC(=O)CC(=O)C1CC1 SBB025114 [0,0,0,1,1,0|1,0,0]=3 60 B13R1.1511 CCOC(=O)C1=C(C)CC(=O)CC1 SBB056551 [0,0,0,1,0,1|1,0,1]=4 61 B13R1.470 CCOC(=O)CC1NCCNC1=O SBB010112 [0,1,0,1,0,0|1,0,0]=3 62 B9R0.34 CCOC(=O)CC(=O)CCl SBB040868 [1,0,0,0,1,0|1,0,0]=3 63 B9R0.34 N(C(=O)CCl)C(=O)OCC SBB003907 [1,0,0,0,1,0|2,0,0]=4 64 B9R0.35 CCNC(=O)C(=O)NCC SBB007900 [0,0,0,0,2,0|2,0,0]=4 65 B9R0.35 CCOC(=O)C(=O)OCC SBB040948 [0,0,0,0,2,0|0,0,0]=2 66 B13R0.367 CCOC(=O)CCCCC(=O)OCC SBB060572 [0,0,0,0,0,2|0,0,0]=2