0 B10R1.66 CC(=O)CCC1CCCO1 SBB017110 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.66 CC(=O)OCC1=CC=CO1 SBB055767 [0,0,0,0,0,0|0,0,4]=4 2 B10R1.66 CC(C)NCC1CCCO1 SBB007165 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.66 CC(O)CCC1CCCO1 SBB001585 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.66 NC(=S)NCC1CCCO1 SBB017664 [0,0,0,0,0,0|2,1,0]=3 5 B10R1.66 O=C(Cl)CCC1CCCC1 SBB058619 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.66 O=C(O)CCC1CCCC1 SBB040565 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.66 O=C(O)CCC1CCCO1 SBB014220 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.66 O=C(O)CCN1CCCC1 SBB046363 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.12 CCNCC1CCCO1 SBB080022 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.12 S=C=NCC1CCCO1 SBB017396 [1,0,0,0,0,0|1,1,1]=4 11 B11R1.25 C=CC(=O)OCC1CCCO1 SBB057151 [0,1,0,0,0,0|0,0,1]=2 12 B11R1.25 NNC(=O)CCC1CCCC1 SBB030323 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.25 NNC(=S)NCC1CCCO1 SBB017695 [0,1,0,0,0,0|2,1,0]=4 14 B11R1.25 O=C(CBr)NCC1CCCO1 SBB080544 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.25 O=C(CCl)NCC1CCCO1 SBB042460 [0,1,0,0,0,0|1,0,0]=2 16 B9R0.2 CC(=O)OCCOCCCl SBB060310 [0,0,1,0,0,0|1,0,0]=2 17 B9R0.2 CCCCCCCC(=O)Cl SBB060013 [0,0,1,0,0,0|3,0,0]=4 18 B9R0.2 CCCCCCCC(=O)O SBB060020 [0,0,1,0,0,0|3,0,0]=4 19 B9R0.2 CCCCCCCC(C)=O SBB061540 [0,0,1,0,0,0|2,0,0]=3 20 B9R0.2 CCCCCCCC(N)=O SBB061055 [0,0,1,0,0,0|3,0,0]=4 21 B9R0.2 CCCCCCOC(C)=O SBB060306 [0,0,1,0,0,0|1,0,0]=2 22 B9R0.2 NCCCCCCC(=O)O SBB072673 [0,0,1,0,0,0|3,0,0]=4 23 B9R0.2 O=C(O)CCCCCCO SBB059715 [0,0,1,0,0,0|2,0,0]=3 24 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [0,0,1,0,0,0|1,0,2]=4 25 B9R0.48 CCOC(=O)CNC(C)=O SBB061661 [0,0,1,0,0,0|2,0,1]=4 26 B11R2.845 CC(=O)C1CC2C=CC1C2 SBB001629 [0,0,0,1,0,0|2,0,1]=4 27 B11R2.845 O=C(O)C1CC2CCC1C2 SBB008208 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.13 CC(=O)CC1CCCC1 SBB008343 [0,0,0,0,1,0|1,0,0]=2 29 B9R1.13 CC(=O)OC1CCCC1 SBB060737 [0,0,0,0,1,0|1,0,0]=2 30 B9R1.13 O=C(Cl)CC1CCCC1 SBB116687 [0,0,0,0,1,0|2,0,0]=3 31 B9R1.13 O=C(Cl)OC1CCCC1 SBB056243 [0,0,0,0,1,0|2,0,0]=3 32 B9R1.13 O=C(O)CC1CCCC1 SBB080711 [0,0,0,0,1,0|2,0,0]=3 33 B9R1.13 O=C(O)CC1CCCO1 SBB002788 [0,0,0,0,1,0|1,0,0]=2 34 B9R1.13 O=C(O)CN1CCCC1 SBB017909 [0,0,0,0,1,0|3,0,0]=4 35 B9R1.13 O=C(O)C[C@@H]1CCCN1 SBB066746 [0,0,0,0,1,0|2,0,0]=3 36 B9R1.84 O=C(O)CCC1CCC1 SBB072391 [0,0,0,0,1,0|2,0,0]=3 37 B11R1.91 CC(=O)NCC1CCNCC1 SBB047898 [0,0,0,0,0,1|2,0,0]=3 38 B11R1.91 O=C(Cl)CCC1CCCCC1 SBB005478 [0,0,0,0,0,1|3,0,0]=4 39 B11R1.91 O=C(O)CCC1CCCCN1 SBB018825 [0,0,0,0,0,1|3,0,0]=4 40 B11R1.91 O=C(O)CCC1CCCNC1 SBB014718 [0,0,0,0,0,1|3,0,0]=4 41 B11R1.172 CC(N)COCC1CCCO1 SBB010416 [0,0,0,0,0,1|1,0,1]=3 42 B11R1.172 O=C(O)COCC1CCCO1 SBB010420 [0,0,0,0,0,1|1,0,0]=2 43 B8R0.4 CCCCCCCC=O SBB059871 [1,0,1,0,0,0|2,0,0]=4 44 B8R0.4 CCCCCCCCO SBB059902 [1,0,1,0,0,0|1,0,1]=4 45 B8R0.4 CCCCCCNC=O SBB061175 [1,0,1,0,0,0|2,0,0]=4 46 B8R0.4 CCCCCCOC=O SBB060302 [1,0,1,0,0,0|1,0,0]=3 47 B8R0.4 CCOCCOCCCl SBB060378 [1,0,1,0,0,0|1,0,1]=4 48 B8R0.4 CCOCCOCCO SBB060178 [1,0,1,0,0,0|1,0,1]=4 49 B8R0.7 CC(=O)OCCCCCl SBB059334 [1,0,1,0,0,0|1,0,0]=3 50 B8R0.7 CCCCCCC(=O)Cl SBB060012 [1,0,1,0,0,0|2,0,0]=4 51 B8R0.7 CCCCCCC(=O)O SBB053587 [1,0,1,0,0,0|2,0,0]=4 52 B8R0.7 CCCCCCC(C)=O SBB060387 [1,0,1,0,0,0|1,0,0]=3 53 B8R0.7 CCCCCOC(C)=O SBB060027 [1,0,1,0,0,0|0,0,0]=2 54 B8R0.7 CCCNCCC(N)=O SBB116773 [1,0,1,0,0,0|2,0,0]=4 55 B8R0.7 CCOCCOC(C)=O SBB061000 [1,0,1,0,0,0|0,0,0]=2 56 B8R0.7 NC(=O)CCNCCO SBB116776 [1,0,1,0,0,0|2,0,0]=4 57 B8R0.7 NCCCCCC(=O)O SBB015068 [1,0,1,0,0,0|2,0,0]=4 58 B8R0.7 O=C(O)CCCCCBr SBB065783 [1,0,1,0,0,0|2,0,0]=4 59 B8R0.7 O=C(O)CCNCCO SBB079386 [1,0,1,0,0,0|2,0,0]=4 60 B8R0.1 CCCCC(O)CCC SBB059905 [1,0,1,0,0,0|1,0,1]=4 61 B8R1.8 C=CCC1CCCC1 SBB008872 [2,0,0,0,0,0|1,0,1]=4 62 B8R1.8 CCCC1OCCO1 SBB060981 [2,0,0,0,0,0|1,0,1]=4 63 B8R1.8 CCCC1OCCS1 SBB056724 [2,0,0,0,0,0|1,0,1]=4 64 B8R1.8 COC[C@@H]1CCCN1 SBB006442 [2,0,0,0,0,0|1,0,0]=3 65 B8R1.8 N#CCC1CCCO1 SBB018702 [2,0,0,0,0,0|1,0,1]=4 66 B10R0.3 CC(C)=CCCC(C)CCO SBB012357 [0,1,1,0,0,0|2,0,0]=4 67 B10R0.3 CCCC(S)CCOC(C)=O SBB056433 [0,1,1,0,0,0|1,0,0]=3 68 B10R0.4 CCCCCCCOC(C)=O SBB060307 [0,1,1,0,0,0|1,0,0]=3 69 B10R0.4 CCCCOCCOC(C)=O SBB061001 [0,1,1,0,0,0|0,0,0]=2 70 B10R0.74 CCCCCCCC(=O)OC SBB060592 [0,1,1,0,0,0|2,0,0]=4 71 B10R0.74 CCCCCCNC(=O)CCl SBB017392 [0,1,1,0,0,0|2,0,0]=4 72 B10R0.74 CCCCCCOC(=O)CCl SBB061569 [0,1,1,0,0,0|1,0,0]=3 73 B10R0.74 CCCCCCOC(=O)CS SBB061229 [0,1,1,0,0,0|1,0,0]=3 74 B10R0.74 O=C(CCl)OCCOCCCl SBB061274 [0,1,1,0,0,0|1,0,0]=3 75 B10R0.96 CC(=O)OCC(C)OC(C)=O SBB008331 [0,1,1,0,0,0|0,0,1]=3 76 B10R1.21 CCCNCC1CCCO1 SBB010297 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.27 COC(=O)CC1CCCO1 SBB014349 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.27 COC(=O)CCC1CCCNC1 SBB018703 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.51 N#CCC(=O)NCC1CCCO1 SBB049423 [0,2,0,0,0,0|1,0,0]=3 80 B10R1.18 CC(=O)NC1CCCCC1 SBB058211 [0,0,1,1,0,0|2,0,0]=4 81 B10R1.18 CC(=O)NC1CCCNC1 SBB047941 [0,0,1,1,0,0|2,0,0]=4 82 B10R1.18 CC(=O)OC1CCCCC1 SBB060309 [0,0,1,1,0,0|1,0,0]=3 83 B10R1.18 O=C(O)CC1CCCCO1 SBB002787 [0,0,1,1,0,0|2,0,0]=4 84 B10R1.18 O=C(O)CC1CCCOC1 SBB027192 [0,0,1,1,0,0|2,0,0]=4 85 B10R1.78 O=C1CCCCCCCN1 SBB058438 [0,0,1,1,0,0|2,0,0]=4 86 B10R1.1 CCCC1CCC(=O)CC1 SBB008421 [0,0,1,1,0,0|2,0,0]=4 87 B10R2.178 O=C1CCC2CO[C@@H]1O2 SBB014281 [1,0,0,1,0,0|2,0,0]=4 88 B12R2.2918 O=C1CC2(CCCCC2)CN1 SBB051418 [0,0,0,1,0,1|2,0,0]=4 89 B12R2.1661 CC(=O)NC1CC2CCC1C2 SBB057102 [0,0,0,1,0,1|2,0,0]=4 90 B12R2.1661 CC(=O)OC1CC2C=CC1C2 SBB008463 [0,0,0,1,0,1|1,0,1]=4 91 B12R2.1175 O=C1CCC2(CC1)OCCO2 SBB059360 [0,1,0,1,0,0|2,0,0]=4 92 B8R0.5 CCCC(C)CC(=O)O SBB061321 [0,0,1,0,1,0|2,0,0]=4 93 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [0,0,1,0,1,0|1,0,1]=4 94 B8R1.7 CC(N)C1CCCO1 SBB020137 [0,0,0,0,2,0|1,0,1]=4 95 B8R1.7 NC(=O)C1CCCN1 SBB004067 [0,0,0,0,2,0|2,0,0]=4 96 B8R1.7 NC(=O)[C@@H]1CCCN1 SBB006531 [0,0,0,0,2,0|2,0,0]=4 97 B8R1.7 O=C(O)C1CCCC1 SBB065782 [0,0,0,0,2,0|2,0,0]=4 98 B8R1.7 O=C(O)C1CCCO1 SBB004298 [0,0,0,0,2,0|1,0,0]=3 99 B8R1.7 O=C(O)[C@H]1CCCN1 SBB006712 [0,0,0,0,2,0|2,0,0]=4 100 B8R1.34 O=C(O)CC1CCC1 SBB050298 [0,0,0,0,2,0|1,0,0]=3 101 B12R1.252 CC(=O)NCCC1CCCCN1 SBB013554 [0,0,0,0,0,2|2,0,0]=4