0 B11R0.3 BrCCCCCCCCCCBr CS-W009956 [0,0,0,0,0,0|2,0,1]=3 1 B11R0.3 C#CCCCCCCCCCBr CS-1051059 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.3 C#CCCCCCCCCCO CS-0129050 [0,0,0,0,0,0|0,0,2]=2 3 B11R0.3 C=CCCCCCCCCC=O CS-W020162 [0,0,0,0,0,0|0,0,2]=2 4 B11R0.3 C=CCCCCCCCCCBr CS-W020160 [0,0,0,0,0,0|1,0,0]=1 5 B11R0.3 C=CCCCCCCCCCCl CS-0068727 [0,0,0,0,0,0|1,0,0]=1 6 B11R0.3 C=CCCCCCCCCCN CS-0068719 [0,0,0,0,0,0|1,0,0]=1 7 B11R0.3 C=CCCCCCCCCCO CS-W004298 [0,0,0,0,0,0|0,0,0]=0 8 B11R0.3 CCCCCCCCCCCBr CS-0085449 [0,0,0,0,0,0|1,0,2]=3 9 B11R0.3 CCCCCCCCCCCC CS-0152244 [0,0,0,0,0,0|1,0,2]=3 10 B11R0.3 CCCCCCCCCCCO CS-W004292 [0,0,0,0,0,0|0,0,2]=2 11 B11R0.3 ClCCCCCCCCCCCl CS-0100393 [0,0,0,0,0,0|2,0,1]=3 12 B11R0.3 N#CCCCCCCCCC#N CS-0196920 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.3 NCCCCCCCCCCN CS-W017587 [0,0,0,0,0,0|2,0,1]=3 14 B11R0.3 NCCCCCCCCCCO CS-W017545 [0,0,0,0,0,0|1,0,1]=2 15 B11R0.3 OCCCCCCCCCCBr CS-W008264 [0,0,0,0,0,0|1,0,1]=2 16 B11R0.3 OCCCCCCCCCCCl CS-0158370 [0,0,0,0,0,0|1,0,1]=2 17 B11R0.3 OCCCCCCCCCCO CS-W017489 [0,0,0,0,0,0|1,0,1]=2 18 B11R0.3 OCCCOCCOCCCO CS-0648254 [0,0,0,0,0,0|3,0,1]=4 19 B10R0.71 BrCCCCCCCCCBr CS-W020735 [1,0,0,0,0,0|2,0,0]=3 20 B10R0.71 C#CCCCCCCCCC CS-0206842 [1,0,0,0,0,0|0,0,2]=3 21 B10R0.71 C(C=O)=CCCCCCCC CS-W016267 [1,0,0,0,0,0|1,0,2]=4 22 B10R0.71 C=C=CCCCCCCCC CS-1014355 [1,0,0,0,0,0|0,0,2]=3 23 B10R0.71 C=CCCCCCCCCBr CS-W013154 [1,0,0,0,0,0|1,0,0]=2 24 B10R0.71 C=CCCCCCCCCO CS-0158001 [1,0,0,0,0,0|0,0,0]=1 25 B10R0.71 CCCCCCCCCCCl CS-W017386 [1,0,0,0,0,0|1,0,1]=3 26 B10R0.71 CCCCCCCCCCI CS-0196431 [1,0,0,0,0,0|1,0,1]=3 27 B10R0.71 CCCCCCCCCCN CS-W016217 [1,0,0,0,0,0|1,0,1]=3 28 B10R0.71 CCCCCCCCCCO CS-0015994 [1,0,0,0,0,0|0,0,1]=2 29 B10R0.71 ClCCCCCCCCCCl CS-W001919 [1,0,0,0,0,0|2,0,0]=3 30 B10R0.71 ClCCCCOCCCCCl CS-0158349 [1,0,0,0,0,0|3,0,0]=4 31 B10R0.71 NCCCCCCCCCN CS-0158368 [1,0,0,0,0,0|2,0,0]=3 32 B10R0.71 NCCCCCCCCCO CS-0374982 [1,0,0,0,0,0|1,0,0]=2 33 B10R0.71 NCCCOCCOCCO CS-0182632 [1,0,0,0,0,0|3,0,0]=4 34 B10R0.71 OCCCCCCCCCBr CS-B0284 [1,0,0,0,0,0|1,0,0]=2 35 B10R0.71 OCCCCCCCCCCl CS-0158372 [1,0,0,0,0,0|1,0,0]=2 36 B10R0.71 OCCCCCCCCCO CS-0008364 [1,0,0,0,0,0|1,0,0]=2 37 B10R0.71 OCCCCOCCCCO CS-0158348 [1,0,0,0,0,0|2,0,0]=3 38 B10R0.71 OCCOCCCOCCO CS-0147765 [1,0,0,0,0,0|3,0,0]=4 39 B12R0.5 BrCCCCCCCCCCCBr CS-0158384 [0,1,0,0,0,0|1,0,2]=4 40 B12R0.5 C#CCCCCCCCCCCO CS-W007273 [0,1,0,0,0,0|0,0,2]=3 41 B12R0.5 C=CCCCCCCCCCCBr CS-W005954 [0,1,0,0,0,0|1,0,0]=2 42 B12R0.5 C=CCCCCCCCCCCC CS-0186370 [0,1,0,0,0,0|1,0,0]=2 43 B12R0.5 CCCCCCCCCCCCC CS-0128437 [0,1,0,0,0,0|1,0,2]=4 44 B12R0.5 CCCCCCCCCCCCCl CS-W013184 [0,1,0,0,0,0|1,0,2]=4 45 B12R0.5 CCCCCCCCCCCCI CS-0197229 [0,1,0,0,0,0|1,0,2]=4 46 B12R0.5 CCCCCCCCCCCCN CS-0013582 [0,1,0,0,0,0|1,0,2]=4 47 B12R0.5 CCCCCCCCCCCCN CS-0152187 [0,1,0,0,0,0|1,0,2]=4 48 B12R0.5 CCCCCCCCCCCCO CS-D1360 [0,1,0,0,0,0|0,0,2]=3 49 B12R0.5 CCCCCCNCCCCCC CS-W016942 [0,1,0,0,0,0|1,0,2]=4 50 B12R0.5 CCCCCCOCCOCCO CS-0198134 [0,1,0,0,0,0|1,0,2]=4 51 B12R0.5 CCOCCCCCCCCCO CS-B0285 [0,1,0,0,0,0|0,0,2]=3 52 B12R0.5 OCCCCCCCCCCCBr CS-W014623 [0,1,0,0,0,0|0,0,2]=3 53 B12R0.5 OCCCCCCCCCCCO CS-W005218 [0,1,0,0,0,0|0,0,2]=3 54 B12R0.5 OCCCOCCCOCCCO CS-0359653 [0,1,0,0,0,0|2,0,1]=4 55 B12R0.5 OCCCOCCCOCCCO CS-W015809 [0,1,0,0,0,0|2,0,1]=4 56 B12R0.234 C#CCCCCCCCCC(=O)O CS-0160163 [0,1,0,0,0,0|0,0,3]=4 57 B12R0.234 C=CCCCCCCCCC(=O)O CS-4383 [0,1,0,0,0,0|0,0,1]=2 58 B12R0.234 CCCCCCCCCCC(=O)O CS-W004282 [0,1,0,0,0,0|2,0,0]=3 59 B12R0.234 CCCCCCCCOCC(=O)O CS-0147297 [0,1,0,0,0,0|3,0,0]=4 60 B12R0.234 NCCCCCCCCCC(=O)O CS-0158386 [0,1,0,0,0,0|2,0,0]=3 61 B12R0.234 O=C(O)CCCCCCCCCBr CS-W014097 [0,1,0,0,0,0|2,0,0]=3 62 B12R0.234 O=C(O)CCCCCCCCCO CS-D1134 [0,1,0,0,0,0|1,0,0]=2 63 B12R0.234 O=C(O)\C=C\CCCCCCCO CS-0016772 [0,1,0,0,0,0|1,0,2]=4 64 B12R0.234 O=C(O)\C=C\CCCCCCCO CS-0648816 [0,1,0,0,0,0|1,0,2]=4 65 B12R0.248 C=C=C(C)CCCCCCCCC CS-1014372 [0,1,0,0,0,0|1,0,2]=4 66 B12R0.248 C=CCCCCCCCC(=O)OC CS-0197689 [0,1,0,0,0,0|2,0,1]=4 67 B12R0.248 COC(=O)CCCCCCCCO CS-W016785 [0,1,0,0,0,0|1,0,2]=4 68 B12R1.8 BrCCCCOC1CCCCO1 CS-0136605 [0,0,0,1,0,0|2,0,1]=4 69 B12R1.18 NCCCN1CCCCCC1=O CS-0155358 [0,0,0,1,0,0|3,0,0]=4 70 B9R0.45 BrCCCCCCCCBr CS-0007585 [2,0,0,0,0,0|2,0,0]=4 71 B9R0.45 C#CCCCCCCCC CS-0031636 [2,0,0,0,0,0|0,0,2]=4 72 B9R0.45 C#CCCCCCCCO CS-W018840 [2,0,0,0,0,0|0,0,2]=4 73 B9R0.45 C(CC)=CCCCCCO CS-W018274 [2,0,0,0,0,0|0,0,2]=4 74 B9R0.45 C=CCCCCCCC=C CS-0199334 [2,0,0,0,0,0|0,0,2]=4 75 B9R0.45 C=CCCCCCCCBr CS-W006397 [2,0,0,0,0,0|1,0,0]=3 76 B9R0.45 C=CCCCCCCCO CS-0185599 [2,0,0,0,0,0|0,0,0]=2 77 B9R0.45 C=CCOCCOCCO CS-0099993 [2,0,0,0,0,0|2,0,0]=4 78 B9R0.45 CCCCCCCCCBr CS-W015275 [2,0,0,0,0,0|1,0,0]=3 79 B9R0.45 CCCCCCCCCI CS-0179369 [2,0,0,0,0,0|1,0,0]=3 80 B9R0.45 CCCCCCCCCN CS-W016408 [2,0,0,0,0,0|1,0,0]=3 81 B9R0.45 CCCCCCCCCO CS-W009532 [2,0,0,0,0,0|0,0,0]=2 82 B9R0.45 CCCCCCCCNC CS-0152155 [2,0,0,0,0,0|1,0,1]=4 83 B9R0.45 CCCCCCCCSC CS-0451724 [2,0,0,0,0,0|1,0,1]=4 84 B9R0.45 CCCCNCCCCO CS-0152101 [2,0,0,0,0,0|1,0,0]=3 85 B9R0.45 ICCCCCCCCI CS-0196432 [2,0,0,0,0,0|2,0,0]=4 86 B9R0.45 NCCCCCCCCN CS-W016375 [2,0,0,0,0,0|2,0,0]=4 87 B9R0.45 NCCCCCCCCO CS-0147845 [2,0,0,0,0,0|1,0,0]=3 88 B9R0.45 OCCCCCCCCBr CS-0015428 [2,0,0,0,0,0|1,0,0]=3 89 B9R0.45 OCCCCCCCCCl CS-W014309 [2,0,0,0,0,0|1,0,0]=3 90 B9R0.45 OCCCCCCCCO CS-W018224 [2,0,0,0,0,0|1,0,0]=3 91 B11R0.40 CCCCCCCCC(O)CO CS-0198860 [1,1,0,0,0,0|0,0,1]=3 92 B11R0.81 C=CCOC(=O)CCCCCC CS-W017692 [1,1,0,0,0,0|1,0,1]=4 93 B11R0.140 CCCCCC(N)CCCCC CS-0187827 [1,1,0,0,0,0|0,0,2]=4 94 B11R0.140 CCCCCC(O)CCCCC CS-0152329 [1,1,0,0,0,0|0,0,2]=4 95 B11R0.148 CCCCCCCCCC(=O)O CS-W016025 [1,1,0,0,0,0|1,0,0]=3 96 B11R0.148 CCCCCCCCCC(C)=O CS-W017685 [1,1,0,0,0,0|0,0,1]=3 97 B11R0.148 CCCCCCCCOC(C)=O CS-0008806 [1,1,0,0,0,0|1,0,1]=4 98 B11R0.148 NCCCCCCCCC(=O)O CS-0158369 [1,1,0,0,0,0|1,0,1]=4 99 B11R0.148 O=C(O)CCCCCCCCBr CS-W007587 [1,1,0,0,0,0|1,0,1]=4 100 B11R0.148 O=C(O)CCCCCCCCO CS-W010763 [1,1,0,0,0,0|1,0,0]=3 101 B13R0.54 C=CCCCCCCCCCC(=O)O CS-0361307 [0,2,0,0,0,0|0,0,0]=2 102 B13R0.54 CCCCCCCCCCCC(=O)O CS-0015078 [0,2,0,0,0,0|0,0,2]=4 103 B13R0.54 CCCCCCCCCCCC(=O)[O-] CS-0198226 [0,2,0,0,0,0|1,0,1]=4 104 B13R0.54 CCCCCCCCCCCC(C)=O CS-W010527 [0,2,0,0,0,0|1,0,1]=4 105 B13R0.54 CCCCCCCCCCCC(N)=O CS-0206349 [0,2,0,0,0,0|1,0,1]=4 106 B13R0.54 CCCCCCCCCCNC(C)=O CS-0901356 [0,2,0,0,0,0|1,0,1]=4 107 B13R0.54 CCCCCCCCC\C=C\C(=O)O CS-0152270 [0,2,0,0,0,0|1,0,1]=4 108 B13R0.54 NCCCCCCCCCCC(=O)O CS-W015547 [0,2,0,0,0,0|1,0,1]=4 109 B13R0.54 O=C(O)CCCCCCCCCCS CS-W014785 [0,2,0,0,0,0|0,1,1]=4 110 B13R0.147 C=CCCCCCCCCC(=O)OC CS-0068709 [0,2,0,0,0,0|0,0,1]=3 111 B13R0.147 C=CCCCCCCCCC(=O)O[Na] CS-0185683 [0,2,0,0,0,0|0,0,1]=3 112 B13R0.147 CCCCCCCCCCC(=O)OC CS-W004285 [0,2,0,0,0,0|1,0,1]=4 113 B13R0.147 COC(=O)CCCCCCCCCBr CS-0129053 [0,2,0,0,0,0|1,0,1]=4 114 B13R0.336 C=CCCCCCCCCCCCBr CS-0199727 [0,2,0,0,0,0|1,0,0]=3 115 B13R0.336 C=CCOCCOCCOCCOC CS-0047709 [0,2,0,0,0,0|2,0,0]=4 116 B13R0.336 CCCCCCCCCCCCCO CS-W004293 [0,2,0,0,0,0|0,0,2]=4 117 B13R0.336 NCCCCCCCCCCCCO CS-W004299 [0,2,0,0,0,0|0,0,2]=4 118 B13R0.336 OCCCCCCCCCCCCBr CS-0158375 [0,2,0,0,0,0|0,0,2]=4 119 B13R0.336 OCCCCCOCCCCCCCl CS-0062997 [0,2,0,0,0,0|0,0,2]=4 120 B13R0.336 OCCOCCOCCCCCCCl CS-0062725 [0,2,0,0,0,0|1,0,1]=4 121 B13R0.179 O=C(O)CCCCCCCCC(=O)O CS-W012874 [0,2,0,0,0,0|1,0,1]=4 122 B13R0.179 O=C(O)CCCCCCCCC(=O)O CS-W015503 [0,2,0,0,0,0|1,0,1]=4 123 B11R1.4 OCCCCOC1CCCO1 CS-0158350 [1,0,0,1,0,0|2,0,0]=4 124 B11R1.28 BrCCCOC1CCCCO1 CS-W008007 [1,0,0,1,0,0|2,0,0]=4 125 B11R1.28 OCCCCC1CCCCC1 CS-0155328 [1,0,0,1,0,0|0,0,1]=3 126 B11R1.99 CCCCCCCCC1CO1 CS-0204736 [1,0,0,1,0,0|0,0,1]=3 127 B13R1.279 O=C1CCCCCCCCCCC1 CS-W017092 [0,1,0,1,0,0|1,0,1]=4 128 B13R1.659 CCCCCCCCCCC1CO1 CS-0152245 [0,1,0,1,0,0|0,0,2]=4 129 B13R1.27 CCCCCCCC1CCC(=O)O1 CS-W016994 [0,1,0,1,0,0|2,0,0]=4