0 B9R1.48 O=C1CCCCC(=O)C1 SBB056238 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.22 O=C1CCCCCC1 SBB060075 [1,0,0,0,0,0|1,0,1]=3 2 B8R1.22 O=C1CCCCCN1 SBB058658 [1,0,0,0,0,0|1,0,1]=3 3 B8R1.22 O=C1CCNCCN1 SBB056241 [1,0,0,0,0,0|2,0,1]=4 4 B8R1.22 O=S1OCCCCO1 SBB060665 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.1 CCCCC(=O)OCC SBB061113 [0,0,1,0,0,0|1,0,1]=3 6 B8R0.1 CCOC(=O)CCCBr SBB070757 [0,0,1,0,0,0|2,0,1]=4 7 B8R0.1 CCOC(=O)CCCN SBB003878 [0,0,1,0,0,0|2,0,1]=4 8 B8R0.5 CCCC(=O)OC(C)C SBB061106 [0,0,1,0,0,0|1,0,1]=3 9 B8R0.5 CCOC(=O)CC(=O)Cl SBB056440 [0,0,1,0,0,0|3,0,0]=4 10 B8R0.5 CCOC(=O)CC(=O)O SBB066094 [0,0,1,0,0,0|3,0,0]=4 11 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [0,0,1,0,0,0|2,0,0]=3 12 B8R0.5 CCOC(=O)\C=C(\C)N SBB028236 [0,0,1,0,0,0|3,0,0]=4 13 B8R0.7 C#CCCCCC(=O)O SBB008797 [0,0,1,0,0,0|1,0,1]=3 14 B8R0.7 C=CCNCCC(N)=O SBB116743 [0,0,1,0,0,0|3,0,0]=4 15 B8R0.7 CC(=O)CCCOC=O SBB001557 [0,0,1,0,0,0|2,0,0]=3 16 B8R0.7 CCCCCCC(=O)Cl SBB060012 [0,0,1,0,0,0|2,0,1]=4 17 B8R0.7 CCCCCCC(=O)O SBB053587 [0,0,1,0,0,0|1,0,1]=3 18 B8R0.7 CCCCCCC(C)=O SBB060387 [0,0,1,0,0,0|2,0,1]=4 19 B8R0.7 CCCCSCC(=O)O SBB061205 [0,0,1,0,0,0|2,0,1]=4 20 B8R0.7 COCCOCC(=O)O SBB008497 [0,0,1,0,0,0|3,0,0]=4 21 B8R0.7 N#CCCNCC(=O)O SBB005852 [0,0,1,0,0,0|2,0,1]=4 22 B8R0.7 NCCCCCC(=O)O SBB015068 [0,0,1,0,0,0|1,0,1]=3 23 B8R0.7 O=C(O)CCCCCBr SBB065783 [0,0,1,0,0,0|1,0,1]=3 24 B8R0.7 O=C(O)CCNCCO SBB079386 [0,0,1,0,0,0|1,0,2]=4 25 B8R0.19 CCC(=O)OC(=O)CC SBB060267 [0,0,1,0,0,0|0,0,0]=1 26 B8R0.19 CCC(=O)OC(C)CC SBB061103 [0,0,1,0,0,0|1,0,1]=3 27 B8R0.19 COC(=O)CC(=O)CCl SBB061676 [0,0,1,0,0,0|3,0,0]=4 28 B8R0.19 O=C(CCl)OC(=O)CCl SBB060009 [0,0,1,0,0,0|2,0,0]=3 29 B10R2.42 O=C1OC(=O)C2CCC12 SBB056376 [0,0,0,1,0,0|0,0,0]=1 30 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [0,0,0,0,1,0|2,0,0]=3 31 B8R1.4 NC1=CC(=O)CCC1 SBB028190 [0,0,0,0,1,0|2,0,0]=3 32 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [0,0,0,0,1,0|1,0,0]=2 33 B8R1.4 O=C1CCCC(=O)O1 SBB060010 [0,0,0,0,1,0|0,0,0]=1 34 B8R1.4 O=C1CCNC(=O)N1 SBB007702 [0,0,0,0,1,0|2,0,0]=3 35 B8R1.4 O=C1COCC(=O)O1 SBB060695 [0,0,0,0,1,0|1,0,0]=2 36 B8R1.4 O=C1CSCC(=O)O1 SBB085808 [0,0,0,0,1,0|1,0,0]=2 37 B8R1.4 O=C1NCNC(=O)N1 SBB057113 [0,0,0,0,1,0|3,0,0]=4 38 B8R1.5 CC1=C(C)CCCC1 SBB060472 [0,0,0,0,1,0|2,0,0]=3 39 B8R1.5 CC1CCCCC1=O SBB058517 [0,0,0,0,1,0|1,0,1]=3 40 B8R1.5 NC1CCCNC1=O SBB012739 [0,0,0,0,1,0|2,0,1]=4 41 B8R1.5 O=C1CCCCC1Cl SBB061548 [0,0,0,0,1,0|1,0,1]=3 42 B8R1.5 O=C1NCCNC1=O SBB079701 [0,0,0,0,1,0|2,0,0]=3 43 B7R0.1 CCCCCOC=O SBB060301 [1,0,1,0,0,0|0,0,1]=3 44 B7R0.3 CCC(=O)OCCCl SBB060315 [1,0,1,0,0,0|1,0,1]=4 45 B7R0.3 CCCCC(=O)NN SBB028196 [1,0,1,0,0,0|2,0,0]=4 46 B7R0.3 CCCOC(=O)CCl SBB060962 [1,0,1,0,0,0|1,0,1]=4 47 B7R0.3 CCCOC(=O)CS SBB061003 [1,0,1,0,0,0|1,0,1]=4 48 B7R0.7 CCCC(=O)CCC SBB060386 [1,0,1,0,0,0|1,0,1]=4 49 B7R0.7 CCOC(=O)CCBr SBB070739 [1,0,1,0,0,0|1,0,1]=4 50 B7R0.7 CCOC(=O)CCN SBB004038 [1,0,1,0,0,0|1,0,1]=4 51 B7R0.7 CCOC(=O)OCC SBB060086 [1,0,1,0,0,0|1,0,1]=4 52 B7R0.7 C\C=C\C(=O)OCC SBB061219 [1,0,1,0,0,0|2,0,0]=4 53 B7R0.7 N(C)CC(=O)OCC SBB004039 [1,0,1,0,0,0|1,0,1]=4 54 B7R0.2 CCC(=O)OC(C)C SBB061101 [1,0,1,0,0,0|1,0,1]=4 55 B7R0.2 COC(=O)CC(C)=O SBB060889 [1,0,1,0,0,0|2,0,0]=4 56 B7R0.4 C#CCCCC(=O)O SBB009090 [1,0,1,0,0,0|0,0,2]=4 57 B7R0.4 CCCCCC(=O)Cl SBB060011 [1,0,1,0,0,0|1,0,1]=4 58 B7R0.4 CCCCCC(=O)O SBB053586 [1,0,1,0,0,0|0,0,1]=3 59 B7R0.4 CCCCCC(C)=O SBB061125 [1,0,1,0,0,0|1,0,1]=4 60 B7R0.4 CCCCCC(N)=O SBB061056 [1,0,1,0,0,0|1,0,1]=4 61 B7R0.4 CCCCOC(N)=O SBB060819 [1,0,1,0,0,0|1,0,1]=4 62 B7R0.4 CCC\C=C\C(=O)O SBB009088 [1,0,1,0,0,0|2,0,0]=4 63 B7R0.4 CCOCCC(=O)O SBB053607 [1,0,1,0,0,0|1,0,1]=4 64 B7R0.4 COCCOC(C)=O SBB060999 [1,0,1,0,0,0|1,0,1]=4 65 B7R0.4 NCCCCC(=O)O SBB061559 [1,0,1,0,0,0|1,0,0]=3 66 B7R0.4 O=C(O)CCCCBr SBB061343 [1,0,1,0,0,0|1,0,0]=3 67 B7R0.4 O=C(O)CCCCCl SBB061215 [1,0,1,0,0,0|1,0,0]=3 68 B7R1.24 C1=CCCCCC1 SBB059889 [2,0,0,0,0,0|1,0,1]=4 69 B9R0.5 CCCCCC(=O)OCC SBB060316 [0,1,1,0,0,0|1,0,1]=4 70 B9R0.5 CCOC(=O)CCCCBr SBB070781 [0,1,1,0,0,0|1,0,1]=4 71 B9R0.18 CCCCC(=O)OCCC SBB061228 [0,1,1,0,0,0|1,0,1]=4 72 B9R0.6 CCOC(=O)C(C)C(C)=O SBB060347 [0,1,1,0,0,0|2,0,0]=4 73 B9R0.6 CCOC(=O)C(Cl)C(C)=O SBB040841 [0,1,1,0,0,0|2,0,0]=4 74 B9R0.14 CCCC(CC)OC(C)=O SBB060029 [0,1,1,0,0,0|1,0,1]=4 75 B9R0.53 CC(=O)CC(=O)OC(C)C SBB061713 [0,1,1,0,0,0|2,0,0]=4 76 B9R0.2 CCCCCCCC(=O)O SBB060020 [0,1,1,0,0,0|1,0,1]=4 77 B9R0.2 CCCCSCCC(=O)O SBB001705 [0,1,1,0,0,0|1,0,1]=4 78 B9R0.2 NCCCCCCC(=O)O SBB072673 [0,1,1,0,0,0|1,0,1]=4 79 B9R0.2 O=C(O)CCCCCCO SBB059715 [0,1,1,0,0,0|0,0,2]=4 80 B9R0.46 CCCCCCC(=O)OC SBB060317 [0,1,1,0,0,0|1,0,1]=4 81 B9R0.46 COC(=O)CCCCCN SBB003739 [0,1,1,0,0,0|1,0,1]=4 82 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB003731 [0,1,1,0,0,0|1,0,1]=4 83 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB062859 [0,1,1,0,0,0|1,0,1]=4 84 B9R0.47 NCCCC[C@H](N)C(=O)O SBB062982 [0,1,1,0,0,0|1,0,1]=4 85 B9R0.55 CC(=O)CCCCC(=O)O SBB068339 [0,1,1,0,0,0|0,0,0]=2 86 B9R0.55 CC(=O)CCCOC(C)=O SBB001556 [0,1,1,0,0,0|2,0,0]=4 87 B9R0.55 CC(=O)NCCCC(=O)O SBB028464 [0,1,1,0,0,0|1,0,0]=3 88 B9R0.55 CC(C)CCCCC(=O)O SBB065917 [0,1,1,0,0,0|1,0,1]=4 89 B9R0.55 NC(=O)CCCCC(N)=O SBB040916 [0,1,1,0,0,0|1,0,0]=3 90 B9R0.55 NC(=O)NCCCC(=O)O SBB027988 [0,1,1,0,0,0|1,0,0]=3 91 B9R0.55 O=C(Cl)CCCCC(=O)Cl SBB058892 [0,1,1,0,0,0|1,0,0]=3 92 B9R0.55 O=C(O)CCCCC(=O)O SBB040846 [0,1,1,0,0,0|0,0,0]=2 93 B9R0.42 COC(=O)CC(=O)C(C)C SBB086341 [0,1,1,0,0,0|2,0,0]=4 94 B9R1.5 CN1CCCCCC1=O SBB056535 [1,1,0,0,0,0|1,0,1]=4 95 B9R1.5 NC1CCCCNC1=O SBB056282 [1,1,0,0,0,0|1,0,1]=4 96 B9R1.5 O=C1CCCCCN1Br SBB057855 [1,1,0,0,0,0|1,0,1]=4 97 B9R1.3 O=C1CCCC(=O)C1Br SBB038106 [0,1,0,0,1,0|1,0,0]=3 98 B9R1.34 CC1=CC(O)CC(=O)O1 SBB055955 [0,1,0,0,1,0|1,0,1]=4 99 B9R1.34 CC1CC(=O)CC(=O)C1 SBB042020 [0,1,0,0,1,0|1,0,0]=3 100 B9R1.34 CC1CC(=O)NC(=O)N1 SBB007701 [0,1,0,0,1,0|2,0,0]=4 101 B9R1.69 CC1CNC(=O)NC1=O SBB058146 [0,1,0,0,1,0|2,0,0]=4 102 B9R1.15 O=C1CCCCC1CO SBB054864 [0,1,0,0,1,0|0,0,2]=4 103 B9R1.73 CCOC(=O)C1CCC1 SBB059126 [0,0,1,1,0,0|1,0,1]=4 104 B9R1.13 CC(=O)OC1CCCC1 SBB060737 [0,0,1,1,0,0|1,0,1]=4 105 B9R1.41 CC(=O)C1CCOC1=O SBB040834 [0,0,1,1,0,0|2,0,0]=4 106 B9R1.41 CC(=O)N1CCCC1=O SBB007922 [0,0,1,1,0,0|1,0,0]=3 107 B9R1.6 O=C(O)C1CCCCC1 SBB008550 [0,0,1,1,0,0|1,0,1]=4 108 B9R1.6 O=C(O)C1CCCCO1 SBB027215 [0,0,1,1,0,0|0,0,2]=4 109 B9R1.6 O=C(O)C1CCCNC1 SBB027313 [0,0,1,1,0,0|2,0,0]=4 110 B9R1.6 O=C(O)C1CCCOC1 SBB014997 [0,0,1,1,0,0|2,0,0]=4 111 B9R1.6 O=C(O)[C@@H]1CCCCN1 SBB006732 [0,0,1,1,0,0|1,0,1]=4 112 B9R1.6 OC(=O)C1CC=CCC1 SBB006583 [0,0,1,1,0,0|1,0,1]=4 113 B9R1.84 O=C(O)CCC1CCC1 SBB072391 [0,0,1,1,0,0|1,0,1]=4 114 B11R2.202 O=C1NC(=O)N2CCCC12 SBB006362 [0,0,0,1,0,1|1,0,0]=3 115 B7R0.5 C=C(C)C(=O)OCC SBB061402 [0,0,1,0,1,0|2,0,0]=4 116 B7R0.5 CCCC(=O)N(C)C SBB008345 [0,0,1,0,1,0|2,0,0]=4 117 B7R0.10 CNC(=O)C(=O)NC SBB007883 [0,0,1,0,1,0|2,0,0]=4 118 B7R0.10 COC(=O)C(=O)OC SBB040902 [0,0,1,0,1,0|2,0,0]=4 119 B7R1.3 O=C1C=CCCC1 SBB008209 [1,0,0,0,1,0|0,0,1]=3 120 B7R1.3 O=C1CCCCC1 SBB060074 [1,0,0,0,1,0|0,0,1]=3 121 B7R1.3 O=C1CCCCO1 SBB060349 [1,0,0,0,1,0|0,0,0]=2 122 B7R1.3 O=C1CCOCC1 SBB049627 [1,0,0,0,1,0|1,0,1]=4 123 B7R1.3 O=C1CCSCC1 SBB048121 [1,0,0,0,1,0|1,0,1]=4 124 B7R1.3 O=C1CNCCN1 SBB000034 [1,0,0,0,1,0|2,0,0]=4 125 B7R1.3 OC1CCCCO1 SBB055947 [1,0,0,0,1,0|0,0,2]=4 126 B7R1.2 O=C1C=CC(=O)O1 SBB060268 [0,0,0,0,2,0|0,0,2]=4 127 B7R1.2 O=C1CCC(=O)N1 SBB040866 [0,0,0,0,2,0|1,0,0]=3 128 B7R1.2 O=C1CCC(=O)O1 SBB040819 [0,0,0,0,2,0|0,0,0]=2 129 B7R1.2 O=C1COC(=O)C1 SBB008561 [0,0,0,0,2,0|2,0,0]=4 130 B7R1.2 O=C1CSC(=O)N1 SBB000047 [0,0,0,0,2,0|2,0,0]=4 131 B7R1.4 CN1CCCC1=O SBB060297 [0,0,0,0,2,0|2,0,0]=4