0 B12R0.5 BrCCCCCCCCCCCBr CS-0158384 [0,0,0,0,0,0|2,0,1]=3 1 B12R0.5 C#CCCCCCCCCCCO CS-W007273 [0,0,0,0,0,0|2,0,1]=3 2 B12R0.5 C=CCCCCCCCCCCBr CS-W005954 [0,0,0,0,0,0|2,0,0]=2 3 B12R0.5 C=CCCCCCCCCCCC CS-0186370 [0,0,0,0,0,0|1,0,0]=1 4 B12R0.5 CCCCCCCCCCCCC CS-0128437 [0,0,0,0,0,0|1,0,1]=2 5 B12R0.5 CCCCCCCCCCCCCl CS-W013184 [0,0,0,0,0,0|1,0,1]=2 6 B12R0.5 CCCCCCCCCCCCI CS-0197229 [0,0,0,0,0,0|1,0,1]=2 7 B12R0.5 CCCCCCCCCCCCN CS-0013582 [0,0,0,0,0,0|1,0,1]=2 8 B12R0.5 CCCCCCCCCCCCN CS-0152187 [0,0,0,0,0,0|1,0,1]=2 9 B12R0.5 CCCCCCCCCCCCO CS-D1360 [0,0,0,0,0,0|0,0,2]=2 10 B12R0.5 CCCCCCNCCCCCC CS-W016942 [0,0,0,0,0,0|2,0,1]=3 11 B12R0.5 CCCCCCOCCOCCO CS-0198134 [0,0,0,0,0,0|2,0,2]=4 12 B12R0.5 CCOCCCCCCCCCO CS-B0285 [0,0,0,0,0,0|1,0,2]=3 13 B12R0.5 OCCCCCCCCCCCBr CS-W014623 [0,0,0,0,0,0|1,0,2]=3 14 B12R0.5 OCCCCCCCCCCCO CS-W005218 [0,0,0,0,0,0|1,0,2]=3 15 B11R0.3 BrCCCCCCCCCCBr CS-W009956 [1,0,0,0,0,0|2,0,0]=3 16 B11R0.3 C#CCCCCCCCCCBr CS-1051059 [1,0,0,0,0,0|1,0,2]=4 17 B11R0.3 C#CCCCCCCCCCO CS-0129050 [1,0,0,0,0,0|0,0,3]=4 18 B11R0.3 C=CCCCCCCCCC=O CS-W020162 [1,0,0,0,0,0|0,0,2]=3 19 B11R0.3 C=CCCCCCCCCCBr CS-W020160 [1,0,0,0,0,0|1,0,1]=3 20 B11R0.3 C=CCCCCCCCCCCl CS-0068727 [1,0,0,0,0,0|1,0,1]=3 21 B11R0.3 C=CCCCCCCCCCN CS-0068719 [1,0,0,0,0,0|1,0,1]=3 22 B11R0.3 C=CCCCCCCCCCO CS-W004298 [1,0,0,0,0,0|1,0,1]=3 23 B11R0.3 CCCCCCCCCCCBr CS-0085449 [1,0,0,0,0,0|1,0,0]=2 24 B11R0.3 CCCCCCCCCCCC CS-0152244 [1,0,0,0,0,0|0,0,1]=2 25 B11R0.3 CCCCCCCCCCCO CS-W004292 [1,0,0,0,0,0|0,0,1]=2 26 B11R0.3 CCCCOCCOCCCC CS-0187426 [1,0,0,0,0,0|2,0,1]=4 27 B11R0.3 CCCC\C=C/CCCCCC CS-0203552 [1,0,0,0,0,0|0,0,3]=4 28 B11R0.3 CCNCCCCCCNCC CS-0187571 [1,0,0,0,0,0|2,0,1]=4 29 B11R0.3 ClCCCCCCCCCCCl CS-0100393 [1,0,0,0,0,0|2,0,0]=3 30 B11R0.3 NCCCCCCCCCCN CS-W017587 [1,0,0,0,0,0|2,0,0]=3 31 B11R0.3 NCCCCCCCCCCO CS-W017545 [1,0,0,0,0,0|1,0,1]=3 32 B11R0.3 OCCCCCCCCCCBr CS-W008264 [1,0,0,0,0,0|1,0,1]=3 33 B11R0.3 OCCCCCCCCCCCl CS-0158370 [1,0,0,0,0,0|1,0,1]=3 34 B11R0.3 OCCCCCCCCCCO CS-W017489 [1,0,0,0,0,0|1,0,1]=3 35 B13R0.54 C=CCCCCCCCCCC(=O)O CS-0361307 [0,1,0,0,0,0|0,0,2]=3 36 B13R0.54 CCCCCCCCCCCC(=O)O CS-0015078 [0,1,0,0,0,0|0,0,0]=1 37 B13R0.54 CCCCCCCCCCCC(=O)[O-] CS-0198226 [0,1,0,0,0,0|0,0,0]=1 38 B13R0.54 CCCCCCCCCCCC(C)=O CS-W010527 [0,1,0,0,0,0|0,0,0]=1 39 B13R0.54 CCCCCCCCCCCC(N)=O CS-0206349 [0,1,0,0,0,0|0,0,0]=1 40 B13R0.54 CCCCCCCCCCNC(C)=O CS-0901356 [0,1,0,0,0,0|1,0,0]=2 41 B13R0.54 CCCCCCCCC\C=C\C(=O)O CS-0152270 [0,1,0,0,0,0|0,0,2]=3 42 B13R0.54 CCCCCC\C=C/CCCC(=O)O CS-0144620 [0,1,0,0,0,0|0,0,2]=3 43 B13R0.54 NCCCCCCCCCCC(=O)O CS-W015547 [0,1,0,0,0,0|1,0,0]=2 44 B13R0.54 O=C(O)CCCCCCCCCCS CS-W014785 [0,1,0,0,0,0|1,0,0]=2 45 B13R0.147 C=CCCCCCCCCC(=O)OC CS-0068709 [0,1,0,0,0,0|2,0,1]=4 46 B13R0.147 CCCCCCCCCCC(=O)OC CS-W004285 [0,1,0,0,0,0|2,0,1]=4 47 B13R0.165 CCCCCCC(=O)CCCCCC CS-0152307 [0,1,0,0,0,0|1,0,2]=4 48 B13R0.336 BrCCCCCCCCCCCCBr CS-W009861 [0,1,0,0,0,0|1,0,1]=3 49 B13R0.336 C=CCCCCCCCCCCCBr CS-0199727 [0,1,0,0,0,0|1,0,0]=2 50 B13R0.336 CCCCCCCCCCCCCBr CS-0168435 [0,1,0,0,0,0|1,0,1]=3 51 B13R0.336 CCCCCCCCCCCCCC CS-0146758 [0,1,0,0,0,0|1,0,1]=3 52 B13R0.336 CCCCCCCCCCCCCO CS-W004293 [0,1,0,0,0,0|0,0,2]=3 53 B13R0.336 CCCCCCCCCCCCNC CS-0152183 [0,1,0,0,0,0|1,0,1]=3 54 B13R0.336 CCCCCCCCCCCCSC CS-0316057 [0,1,0,0,0,0|0,1,1]=3 55 B13R0.336 NCCCCCCCCCCCCN CS-W015599 [0,1,0,0,0,0|1,0,1]=3 56 B13R0.336 NCCCCCCCCCCCCO CS-W004299 [0,1,0,0,0,0|0,0,2]=3 57 B13R0.336 OCCCCCCCCCCCCBr CS-0158375 [0,1,0,0,0,0|0,0,2]=3 58 B13R0.336 OCCCCCOCCCCCCCl CS-0062997 [0,1,0,0,0,0|1,0,2]=4 59 B13R1.279 NC1CCCCCCCCCCC1 CS-0074513 [0,0,0,1,0,0|1,0,1]=3 60 B13R1.279 O=C1CCCCCCCCCCC1 CS-W017092 [0,0,0,1,0,0|0,0,0]=1 61 B13R1.659 CCCCCCCCCCC1CO1 CS-0152245 [0,0,0,1,0,0|0,0,2]=3 62 B10R0.71 BrCCCCCCCCCBr CS-W020735 [2,0,0,0,0,0|2,0,0]=4 63 B10R0.71 C#CCCCCCCCCC CS-0206842 [2,0,0,0,0,0|0,0,2]=4 64 B10R0.71 C(C=O)=CCCCCCCC CS-W016267 [2,0,0,0,0,0|0,0,2]=4 65 B10R0.71 C=C=CCCCCCCCC CS-1014355 [2,0,0,0,0,0|0,0,2]=4 66 B10R0.71 C=CCCCCCCCCBr CS-W013154 [2,0,0,0,0,0|1,0,1]=4 67 B10R0.71 C=CCCCCCCCCO CS-0158001 [2,0,0,0,0,0|1,0,1]=4 68 B10R0.71 CCCCCCCCCCCl CS-W017386 [2,0,0,0,0,0|1,0,0]=3 69 B10R0.71 CCCCCCCCCCI CS-0196431 [2,0,0,0,0,0|1,0,0]=3 70 B10R0.71 CCCCCCCCCCN CS-W016217 [2,0,0,0,0,0|1,0,0]=3 71 B10R0.71 CCCCCCCCCCO CS-0015994 [2,0,0,0,0,0|0,0,1]=3 72 B10R0.71 ClCCCCCCCCCCl CS-W001919 [2,0,0,0,0,0|2,0,0]=4 73 B10R0.71 NCCCCCCCCCN CS-0158368 [2,0,0,0,0,0|2,0,0]=4 74 B10R0.71 NCCCCCCCCCO CS-0374982 [2,0,0,0,0,0|1,0,1]=4 75 B10R0.71 OCCCCCCCCCBr CS-B0284 [2,0,0,0,0,0|1,0,1]=4 76 B10R0.71 OCCCCCCCCCCl CS-0158372 [2,0,0,0,0,0|1,0,1]=4 77 B10R0.71 OCCCCCCCCCO CS-0008364 [2,0,0,0,0,0|1,0,1]=4 78 B12R0.234 C#CCCCCCCCCC(=O)O CS-0160163 [1,1,0,0,0,0|0,0,2]=4 79 B12R0.234 C=CCCCCCCCCC(=O)O CS-4383 [1,1,0,0,0,0|0,0,2]=4 80 B12R0.234 CCCCCCCCCCC(=O)O CS-W004282 [1,1,0,0,0,0|0,0,0]=2 81 B12R0.234 CCCCCCCCOCC(=O)O CS-0147297 [1,1,0,0,0,0|1,0,0]=3 82 B12R0.234 NCCCCCCCCCC(=O)O CS-0158386 [1,1,0,0,0,0|1,0,0]=3 83 B12R0.234 O=C(O)CCCCCCCCCBr CS-W014097 [1,1,0,0,0,0|1,0,0]=3 84 B12R0.234 O=C(O)CCCCCCCCCO CS-D1134 [1,1,0,0,0,0|1,0,0]=3 85 B12R0.248 C=C=C(C)CCCCCCCCC CS-1014372 [1,1,0,0,0,0|0,0,2]=4 86 B14R0.68 O=C(O)CCCCCCCCCC(=O)O CS-W014841 [0,2,0,0,0,0|1,0,1]=4 87 B14R0.305 COC(=O)CCCCCCCCC(=O)O CS-0206512 [0,2,0,0,0,0|1,0,1]=4 88 B14R0.337 C=CC(=O)OCCCCCCCCCC CS-0320686 [0,2,0,0,0,0|1,0,0]=3 89 B14R0.337 CCCCCCCCCCCC(=O)NC CS-0207165 [0,2,0,0,0,0|0,0,0]=2 90 B14R0.337 CCCCCCCCCCCC(=O)NN CS-0315851 [0,2,0,0,0,0|0,0,0]=2 91 B14R0.337 CCCCCCCCCCCC(=O)OC CS-W004286 [0,2,0,0,0,0|0,0,0]=2 92 B14R0.337 CCCCCCCCCCCC(=O)O[K] CS-0198015 [0,2,0,0,0,0|0,0,0]=2 93 B14R0.337 COC(=O)CCCCCCCCCCBr CS-0109940 [0,2,0,0,0,0|1,0,0]=3 94 B14R0.337 COC(=O)CCCCCCCCCCN CS-0129049 [0,2,0,0,0,0|1,0,0]=3 95 B14R0.340 CCCCCCCCCCC(N)C(=O)O CS-0152253 [0,2,0,0,0,0|0,0,0]=2 96 B14R0.394 C=CCCCCCCCCCCC(=O)O CS-0644145 [0,2,0,0,0,0|0,0,1]=3 97 B14R0.394 CCCCCCCCCCCCB(O)O CS-0175075 [0,2,0,0,0,0|0,0,2]=4 98 B14R0.394 CCCCCCCCCCCCC(=O)O CS-D1510 [0,2,0,0,0,0|0,0,0]=2 99 B14R0.394 CCCCCCCCCCCCC(C)=O CS-0149221 [0,2,0,0,0,0|0,0,0]=2 100 B14R0.394 CCCCCCCCCCCCS(C)=O CS-W010351 [0,2,0,0,0,0|0,0,1]=3 101 B14R0.394 O=C(O)CCCCCCCCCCCBr CS-0158383 [0,2,0,0,0,0|0,0,0]=2 102 B14R0.392 C=CCCCCCCCCCCCCC CS-0186359 [0,2,0,0,0,0|1,0,0]=3 103 B14R0.392 CCCCCCCCCCCCCCBr CS-W012307 [0,2,0,0,0,0|1,0,1]=4 104 B14R0.392 CCCCCCCCCCCCCCC CS-0138815 [0,2,0,0,0,0|1,0,1]=4 105 B14R0.392 CCCCCCCCCCCCCCCl CS-W009494 [0,2,0,0,0,0|1,0,1]=4 106 B14R0.392 CCCCCCCCCCCCCCO CS-W004294 [0,2,0,0,0,0|0,0,2]=4 107 B14R0.392 CCCCCCCCCCCCN=[N+]=[N-] CS-0647251 [0,2,0,0,0,0|1,0,1]=4 108 B14R0.392 NCCCCCCNCCCCCCN CS-0328733 [0,2,0,0,0,0|1,0,1]=4 109 B14R0.392 OCCCCCCCCCCCCCBr CS-0082398 [0,2,0,0,0,0|0,0,2]=4 110 B14R0.392 OCCCCCCCCCCCCCO CS-0158374 [0,2,0,0,0,0|0,0,2]=4 111 B12R1.18 NCCCN1CCCCCC1=O CS-0155358 [1,0,0,1,0,0|2,0,0]=4 112 B14R1.26 CCCCCCCC1CCCC(=O)O1 CS-W010531 [0,1,0,1,0,0|0,0,0]=2 113 B14R1.216 CCCCCCCCN1CCCC1=O CS-W015668 [0,1,0,1,0,0|0,0,0]=2 114 B14R1.622 CCOC(=O)C1CCCCCCC1=O CS-0214857 [0,1,0,1,0,0|1,0,1]=4 115 B14R1.4408 O=C1CCCCCCCCCCCN1 CS-0313348 [0,1,0,1,0,0|0,0,0]=2 116 B14R1.122 CCCCCCCCC1CCC(=O)O1 CS-0320646 [0,1,0,1,0,0|0,0,0]=2 117 B14R2.24 O=C1CCCCC1C2=CCCCC2 CS-W017304 [0,0,0,2,0,0|0,0,2]=4