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|2,0,1]=3 2 B11R0.3 C#CCCCCCCCCCO CS-0129050 [0,0,0,0,0,0|2,0,1]=3 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|2,0,0]=2 5 B11R0.3 C=CCCCCCCCCCCl CS-0068727 [0,0,0,0,0,0|2,0,0]=2 6 B11R0.3 C=CCCCCCCCCCN CS-0068719 [0,0,0,0,0,0|2,0,0]=2 7 B11R0.3 C=CCCCCCCCCCO CS-W004298 [0,0,0,0,0,0|2,0,0]=2 8 B11R0.3 CCCCCCCCCCCBr CS-0085449 [0,0,0,0,0,0|1,0,1]=2 9 B11R0.3 CCCCCCCCCCCC CS-0152244 [0,0,0,0,0,0|1,0,1]=2 10 B11R0.3 CCCCCCCCCCCO CS-W004292 [0,0,0,0,0,0|0,0,2]=2 11 B11R0.3 CCCCOCCOCCCC CS-0187426 [0,0,0,0,0,0|3,0,1]=4 12 B11R0.3 CCCC\C=C/CCCCCC CS-0203552 [0,0,0,0,0,0|1,0,3]=4 13 B11R0.3 CCNCCCCCCNCC CS-0187571 [0,0,0,0,0,0|3,0,1]=4 14 B11R0.3 ClCCCCCCCCCCCl CS-0100393 [0,0,0,0,0,0|2,0,1]=3 15 B11R0.3 N#CCCCCCCCCC#N CS-0196920 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.3 NCCCCCCCCCCN CS-W017587 [0,0,0,0,0,0|2,0,1]=3 17 B11R0.3 NCCCCCCCCCCO CS-W017545 [0,0,0,0,0,0|1,0,2]=3 18 B11R0.3 OCCCCCCCCCCBr CS-W008264 [0,0,0,0,0,0|1,0,2]=3 19 B11R0.3 OCCCCCCCCCCCl CS-0158370 [0,0,0,0,0,0|1,0,2]=3 20 B11R0.3 OCCCCCCCCCCO CS-W017489 [0,0,0,0,0,0|1,0,2]=3 21 B10R0.71 BrCCCCCCCCCBr CS-W020735 [1,0,0,0,0,0|2,0,0]=3 22 B10R0.71 C#CCCCCCCCCC CS-0206842 [1,0,0,0,0,0|0,0,2]=3 23 B10R0.71 C(C=O)=CCCCCCCC CS-W016267 [1,0,0,0,0,0|0,0,2]=3 24 B10R0.71 C=C=CCCCCCCCC CS-1014355 [1,0,0,0,0,0|0,0,2]=3 25 B10R0.71 C=CCCCCCCCCBr CS-W013154 [1,0,0,0,0,0|1,0,1]=3 26 B10R0.71 C=CCCCCCCCCO CS-0158001 [1,0,0,0,0,0|1,0,1]=3 27 B10R0.71 CCCCCCCCCCCl CS-W017386 [1,0,0,0,0,0|1,0,0]=2 28 B10R0.71 CCCCCCCCCCI CS-0196431 [1,0,0,0,0,0|1,0,0]=2 29 B10R0.71 CCCCCCCCCCN CS-W016217 [1,0,0,0,0,0|1,0,0]=2 30 B10R0.71 CCCCCCCCCCO CS-0015994 [1,0,0,0,0,0|0,0,1]=2 31 B10R0.71 ClCCCCCCCCCCl CS-W001919 [1,0,0,0,0,0|2,0,0]=3 32 B10R0.71 ClCCCCOCCCCCl CS-0158349 [1,0,0,0,0,0|3,0,0]=4 33 B10R0.71 NCCCCCCCCCN CS-0158368 [1,0,0,0,0,0|2,0,0]=3 34 B10R0.71 NCCCCCCCCCO CS-0374982 [1,0,0,0,0,0|1,0,1]=3 35 B10R0.71 OCCCCCCCCCBr CS-B0284 [1,0,0,0,0,0|1,0,1]=3 36 B10R0.71 OCCCCCCCCCCl CS-0158372 [1,0,0,0,0,0|1,0,1]=3 37 B10R0.71 OCCCCCCCCCO CS-0008364 [1,0,0,0,0,0|1,0,1]=3 38 B10R0.71 OCCCCOCCCCO CS-0158348 [1,0,0,0,0,0|2,0,1]=4 39 B12R0.5 BrCCCCCCCCCCCBr CS-0158384 [0,1,0,0,0,0|1,0,1]=3 40 B12R0.5 C#CCCCCCCCCCCO CS-W007273 [0,1,0,0,0,0|1,0,1]=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|1,0,1]=3 44 B12R0.5 CCCCCCCCCCCCCl CS-W013184 [0,1,0,0,0,0|1,0,1]=3 45 B12R0.5 CCCCCCCCCCCCI CS-0197229 [0,1,0,0,0,0|1,0,1]=3 46 B12R0.5 CCCCCCCCCCCCN CS-0013582 [0,1,0,0,0,0|1,0,1]=3 47 B12R0.5 CCCCCCCCCCCCN CS-0152187 [0,1,0,0,0,0|1,0,1]=3 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|1,0,1]=3 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 B12R0.234 C#CCCCCCCCCC(=O)O CS-0160163 [0,1,0,0,0,0|0,0,2]=3 55 B12R0.234 C=CCCCCCCCCC(=O)O CS-4383 [0,1,0,0,0,0|0,0,2]=3 56 B12R0.234 CCCCCCCCCCC(=O)O CS-W004282 [0,1,0,0,0,0|0,0,0]=1 57 B12R0.234 CCCCCCCCOCC(=O)O CS-0147297 [0,1,0,0,0,0|1,0,0]=2 58 B12R0.234 NCCCCCCCCCC(=O)O CS-0158386 [0,1,0,0,0,0|1,0,0]=2 59 B12R0.234 NCCOCCOCCCC(=O)O CS-0114418 [0,1,0,0,0,0|3,0,0]=4 60 B12R0.234 O=C(O)CCCCCCCCCBr CS-W014097 [0,1,0,0,0,0|1,0,0]=2 61 B12R0.234 O=C(O)CCCCCCCCCO CS-D1134 [0,1,0,0,0,0|1,0,0]=2 62 B12R0.234 O=C(O)\C=C\CCCCCCCO CS-0016772 [0,1,0,0,0,0|1,0,2]=4 63 B12R0.234 O=C(O)\C=C\CCCCCCCO CS-0648816 [0,1,0,0,0,0|1,0,2]=4 64 B12R0.248 C=C=C(C)CCCCCCCCC CS-1014372 [0,1,0,0,0,0|1,0,2]=4 65 B12R0.248 C=CCCCCCCCC(=O)OC CS-0197689 [0,1,0,0,0,0|2,0,1]=4 66 B12R0.248 CCCCCCCCCC(=O)NN CS-0318324 [0,1,0,0,0,0|2,0,1]=4 67 B12R0.248 CCCCCCCCCC(=O)OC CS-W016888 [0,1,0,0,0,0|2,0,1]=4 68 B12R0.248 CCCCCCCCCC(=O)O[Na] CS-0034995 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.18 N#CCCN1CCCCCC1=O CS-0162581 [0,0,0,1,0,0|2,0,1]=4 70 B12R1.18 NCCCN1CCCCCC1=O CS-0155358 [0,0,0,1,0,0|2,0,0]=3 71 B9R0.45 BrCCCCCCCCBr CS-0007585 [2,0,0,0,0,0|2,0,0]=4 72 B9R0.45 C#CCCCCCCCC CS-0031636 [2,0,0,0,0,0|0,0,2]=4 73 B9R0.45 C=CCCCCCCCBr CS-W006397 [2,0,0,0,0,0|1,0,1]=4 74 B9R0.45 C=CCCCCCCCO CS-0185599 [2,0,0,0,0,0|1,0,1]=4 75 B9R0.45 CCCCC#CCCCC CS-0066208 [2,0,0,0,0,0|0,0,2]=4 76 B9R0.45 CCCCCCCCCBr CS-W015275 [2,0,0,0,0,0|1,0,0]=3 77 B9R0.45 CCCCCCCCCI CS-0179369 [2,0,0,0,0,0|1,0,0]=3 78 B9R0.45 CCCCCCCCCN CS-W016408 [2,0,0,0,0,0|1,0,0]=3 79 B9R0.45 CCCCCCCCCO CS-W009532 [2,0,0,0,0,0|0,0,1]=3 80 B9R0.45 CCCCCCCCNC CS-0152155 [2,0,0,0,0,0|1,0,0]=3 81 B9R0.45 CCCCCCCCSC CS-0451724 [2,0,0,0,0,0|1,0,0]=3 82 B9R0.45 CCCCNCCCCO CS-0152101 [2,0,0,0,0,0|1,0,1]=4 83 B9R0.45 CNCCCCCCNC CS-0150992 [2,0,0,0,0,0|2,0,0]=4 84 B9R0.45 COCCCCCCOC CS-0321041 [2,0,0,0,0,0|2,0,0]=4 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|1,0,1]=4 88 B9R0.45 OCCCCCCCCBr CS-0015428 [2,0,0,0,0,0|1,0,1]=4 89 B9R0.45 OCCCCCCCCCl CS-W014309 [2,0,0,0,0,0|1,0,1]=4 90 B9R0.45 OCCCCCCCCO CS-W018224 [2,0,0,0,0,0|1,0,1]=4 91 B11R0.40 CCCCCCCCC(O)CO CS-0198860 [1,1,0,0,0,0|0,0,1]=3 92 B11R0.140 CCCCCC(=O)CCCCC CS-0204308 [1,1,0,0,0,0|0,0,2]=4 93 B11R0.140 CCCCCC(N)CCCCC CS-0187827 [1,1,0,0,0,0|0,0,1]=3 94 B11R0.140 CCCCCC(O)CCCCC CS-0152329 [1,1,0,0,0,0|0,0,1]=3 95 B11R0.148 C#CCCCCCCCC(=O)O CS-0143674 [1,1,0,0,0,0|0,0,2]=4 96 B11R0.148 CCCCCCCCCC(=O)O CS-W016025 [1,1,0,0,0,0|0,0,0]=2 97 B11R0.148 CCCCCCCCCC(C)=O CS-W017685 [1,1,0,0,0,0|0,0,0]=2 98 B11R0.148 CCCCCCCCOC(C)=O CS-0008806 [1,1,0,0,0,0|1,0,0]=3 99 B11R0.148 CCCCCCC\C=C\C(=O)O CS-0534 [1,1,0,0,0,0|0,0,2]=4 100 B11R0.148 NCCCCCCCCC(=O)O CS-0158369 [1,1,0,0,0,0|1,0,0]=3 101 B11R0.148 O=C(O)CCCCCCCCBr CS-W007587 [1,1,0,0,0,0|1,0,0]=3 102 B11R0.148 O=C(O)CCCCCCCCO CS-W010763 [1,1,0,0,0,0|1,0,0]=3 103 B13R0.88 CCOC(=O)CCCCCCC(=O)O CS-0446113 [0,2,0,0,0,0|1,0,1]=4 104 B13R0.54 C=CCCCCCCCCCC(=O)O CS-0361307 [0,2,0,0,0,0|0,0,1]=3 105 B13R0.54 CCCCCCCCCCCC(=O)O CS-0015078 [0,2,0,0,0,0|0,0,0]=2 106 B13R0.54 CCCCCCCCCCCC(=O)[O-] CS-0198226 [0,2,0,0,0,0|0,0,0]=2 107 B13R0.54 CCCCCCCCCCCC(C)=O CS-W010527 [0,2,0,0,0,0|0,0,0]=2 108 B13R0.54 CCCCCCCCCCCC(N)=O CS-0206349 [0,2,0,0,0,0|0,0,0]=2 109 B13R0.54 CCCCCCCCCCNC(C)=O CS-0901356 [0,2,0,0,0,0|0,0,0]=2 110 B13R0.54 CCCCCCCCC\C=C\C(=O)O CS-0152270 [0,2,0,0,0,0|0,0,1]=3 111 B13R0.54 CCCCCC\C=C/CCCC(=O)O CS-0144620 [0,2,0,0,0,0|0,0,1]=3 112 B13R0.54 NCCCCCCCCCCC(=O)O CS-W015547 [0,2,0,0,0,0|0,0,0]=2 113 B13R0.54 O=C(O)CCCCCCCCCCS CS-W014785 [0,2,0,0,0,0|0,0,0]=2 114 B13R0.147 C=CCCCCCCCCC(=O)OC CS-0068709 [0,2,0,0,0,0|0,0,2]=4 115 B13R0.147 C=CCCCCCCCCC(=O)O[Na] CS-0185683 [0,2,0,0,0,0|0,0,2]=4 116 B13R0.147 CCCCCCCCCCC(=O)OC CS-W004285 [0,2,0,0,0,0|0,0,0]=2 117 B13R0.147 COC(=O)CCCCCCCCCBr CS-0129053 [0,2,0,0,0,0|1,0,0]=3 118 B13R0.165 CCCCCCC(=O)CCCCCC CS-0152307 [0,2,0,0,0,0|1,0,1]=4 119 B13R0.336 BrCCCCCCCCCCCCBr CS-W009861 [0,2,0,0,0,0|1,0,1]=4 120 B13R0.336 C=CCCCCCCCCCCCBr CS-0199727 [0,2,0,0,0,0|1,0,0]=3 121 B13R0.336 CCCCCCCCCCCCCBr CS-0168435 [0,2,0,0,0,0|1,0,1]=4 122 B13R0.336 CCCCCCCCCCCCCC CS-0146758 [0,2,0,0,0,0|1,0,1]=4 123 B13R0.336 CCCCCCCCCCCCCO CS-W004293 [0,2,0,0,0,0|0,0,2]=4 124 B13R0.336 CCCCCCCCCCCCNC CS-0152183 [0,2,0,0,0,0|1,0,1]=4 125 B13R0.336 CCCCCCCCCCCCSC CS-0316057 [0,2,0,0,0,0|0,1,1]=4 126 B13R0.336 NCCCCCCCCCCCCN CS-W015599 [0,2,0,0,0,0|1,0,1]=4 127 B13R0.336 NCCCCCCCCCCCCO CS-W004299 [0,2,0,0,0,0|0,0,2]=4 128 B13R0.336 OCCCCCCCCCCCCBr CS-0158375 [0,2,0,0,0,0|0,0,2]=4 129 B13R0.336 OCCCCCOCCCCCCCl CS-0062997 [0,2,0,0,0,0|0,0,2]=4 130 B13R0.154 CCCCCCCC(=O)NCC(=O)O CS-0152288 [0,2,0,0,0,0|1,0,1]=4 131 B13R0.179 O=C(O)CCCCCCCCC(=O)O CS-W012874 [0,2,0,0,0,0|1,0,1]=4 132 B13R0.179 O=C(O)CCCCCCCCC(=O)O CS-W015503 [0,2,0,0,0,0|1,0,1]=4 133 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] CS-0205299 [0,2,0,0,0,0|1,0,1]=4 134 B13R0.202 COC(=O)CCCCCCCC(=O)O CS-0150694 [0,2,0,0,0,0|1,0,1]=4 135 B13R0.280 CCCCCCCCCC[N+](C)(C)C CS-W009346 [0,2,0,0,0,0|2,0,0]=4 136 B13R0.280 CCCCCCCCCC[Si](C)(C)Cl CS-0199116 [0,2,0,0,0,0|1,1,0]=4 137 B13R0.280 CCCCCCCCCC[Si](C)(Cl)Cl CS-0213599 [0,2,0,0,0,0|1,1,0]=4 138 B13R0.412 CCCCCCCCCC(OC)OC CS-0589485 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.4 NCCCCCN1CCCC1 CS-0187075 [1,0,0,1,0,0|2,0,0]=4 140 B11R1.28 NCCCNC1CCCCC1 CS-W016230 [1,0,0,1,0,0|2,0,0]=4 141 B11R1.28 OCCCCC1CCCCC1 CS-0155328 [1,0,0,1,0,0|0,0,1]=3 142 B11R1.99 CCCCCCCCC1CO1 CS-0204736 [1,0,0,1,0,0|0,0,1]=3 143 B11R1.203 NCCCN1CCCCCC1 CS-0075712 [1,0,0,1,0,0|2,0,0]=4 144 B13R1.279 NC1CCCCCCCCCCC1 CS-0074513 [0,1,0,1,0,0|1,0,1]=4 145 B13R1.279 O=C1CCCCCCCCCCC1 CS-W017092 [0,1,0,1,0,0|0,0,0]=2 146 B13R1.463 CCOC(=O)C1CCCCCC1=O CS-0099478 [0,1,0,1,0,0|1,0,1]=4 147 B13R1.470 CCOC(=O)CC1CCCCC1=O CS-0132655 [0,1,0,1,0,0|1,0,1]=4 148 B13R1.659 CCCCCCCCCCC1CO1 CS-0152245 [0,1,0,1,0,0|0,0,2]=4 149 B13R1.27 CCCCCCCC1CCC(=O)O1 CS-W016994 [0,1,0,1,0,0|0,0,0]=2 150 B13R2.3 C1CCC(C2CCCCC2)CC1 CS-0081506 [0,0,0,2,0,0|1,0,1]=4 151 B13R2.15 O=C1CCCN1C2CCNCC2 CS-0200196 [0,0,0,2,0,0|2,0,0]=4