0 B11R0.3 BrCCCCCCCCCCBr CS-W009956 [0,0,0,0,0,0|2,0,0]=2 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|0,0,4]=4 4 B11R0.3 C=CCCCCCCCCCBr CS-W020160 [0,0,0,0,0,0|1,0,2]=3 5 B11R0.3 C=CCCCCCCCCCCl CS-0068727 [0,0,0,0,0,0|1,0,2]=3 6 B11R0.3 C=CCCCCCCCCCN CS-0068719 [0,0,0,0,0,0|1,0,2]=3 7 B11R0.3 C=CCCCCCCCCCO CS-W004298 [0,0,0,0,0,0|0,0,2]=2 8 B11R0.3 CCCCCCC=C=CCCO CS-1173692 [0,0,0,0,0,0|0,0,3]=3 9 B11R0.3 CCCCCCCCCCCBr CS-0085449 [0,0,0,0,0,0|1,0,0]=1 10 B11R0.3 CCCCCCCCCCCC CS-0152244 [0,0,0,0,0,0|1,0,0]=1 11 B11R0.3 CCCCCCCCCCCO CS-W004292 [0,0,0,0,0,0|0,0,0]=0 12 B11R0.3 CCCCOCCOCCCC CS-0187426 [0,0,0,0,0,0|3,0,0]=3 13 B11R0.3 CCCC\C=C/CCCCCC CS-0203552 [0,0,0,0,0,0|1,0,2]=3 14 B11R0.3 CCNCCCCCCNCC CS-0187571 [0,0,0,0,0,0|3,0,0]=3 15 B11R0.3 ClCCCCCCCCCCCl CS-0100393 [0,0,0,0,0,0|2,0,0]=2 16 B11R0.3 N#CCCCCCCCCC#N CS-0196920 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.3 NCCCCCCCCCCN CS-W017587 [0,0,0,0,0,0|2,0,0]=2 18 B11R0.3 NCCCCCCCCCCO CS-W017545 [0,0,0,0,0,0|1,0,0]=1 19 B11R0.3 NCCCNCCNCCCN CS-W017488 [0,0,0,0,0,0|4,0,0]=4 20 B11R0.3 OCCCCCCCCCCBr CS-W008264 [0,0,0,0,0,0|1,0,0]=1 21 B11R0.3 OCCCCCCCCCCCl CS-0158370 [0,0,0,0,0,0|1,0,0]=1 22 B11R0.3 OCCCCCCCCCCO CS-W017489 [0,0,0,0,0,0|1,0,0]=1 23 B11R0.3 OCCCOCCOCCCO CS-0648254 [0,0,0,0,0,0|3,0,0]=3 24 B10R0.71 BrCCCCCCCCCBr CS-W020735 [1,0,0,0,0,0|2,0,0]=3 25 B10R0.71 C#CCCCCCCCCC CS-0206842 [1,0,0,0,0,0|0,0,2]=3 26 B10R0.71 C=C=CCCCCCCCC CS-1014355 [1,0,0,0,0,0|0,0,3]=4 27 B10R0.71 C=CCCCCCCCCBr CS-W013154 [1,0,0,0,0,0|1,0,2]=4 28 B10R0.71 C=CCCCCCCCCO CS-0158001 [1,0,0,0,0,0|0,0,2]=3 29 B10R0.71 CCCCC=C=CCCCO CS-1173694 [1,0,0,0,0,0|0,0,3]=4 30 B10R0.71 CCCCCC=C=CCCO CS-1173691 [1,0,0,0,0,0|0,0,3]=4 31 B10R0.71 CCCCCCCCCCCl CS-W017386 [1,0,0,0,0,0|1,0,0]=2 32 B10R0.71 CCCCCCCCCCI CS-0196431 [1,0,0,0,0,0|1,0,0]=2 33 B10R0.71 CCCCCCCCCCN CS-W016217 [1,0,0,0,0,0|1,0,0]=2 34 B10R0.71 CCCCCCCCCCO CS-0015994 [1,0,0,0,0,0|0,0,0]=1 35 B10R0.71 CCOCCNCCOCC CS-0621685 [1,0,0,0,0,0|3,0,0]=4 36 B10R0.71 CNCCOCCOCCO CS-0114305 [1,0,0,0,0,0|3,0,0]=4 37 B10R0.71 COCCCOCCCOC CS-0570789 [1,0,0,0,0,0|3,0,0]=4 38 B10R0.71 COCCOCCOCCO CS-0114074 [1,0,0,0,0,0|3,0,0]=4 39 B10R0.71 COCCOCCOCCO CS-0850473 [1,0,0,0,0,0|3,0,0]=4 40 B10R0.71 ClCCCCCCCCCCl CS-W001919 [1,0,0,0,0,0|2,0,0]=3 41 B10R0.71 ClCCCCOCCCCCl CS-0158349 [1,0,0,0,0,0|3,0,0]=4 42 B10R0.71 NCCCCCCCCCN CS-0158368 [1,0,0,0,0,0|2,0,0]=3 43 B10R0.71 NCCCCCCCCCO CS-0374982 [1,0,0,0,0,0|1,0,0]=2 44 B10R0.71 NCCCOCCOCCO CS-0182632 [1,0,0,0,0,0|3,0,0]=4 45 B10R0.71 OCCCCCCCCCBr CS-B0284 [1,0,0,0,0,0|1,0,0]=2 46 B10R0.71 OCCCCCCCCCCl CS-0158372 [1,0,0,0,0,0|1,0,0]=2 47 B10R0.71 OCCCCCCCCCO CS-0008364 [1,0,0,0,0,0|1,0,0]=2 48 B10R0.71 OCCCCOCCCCO CS-0158348 [1,0,0,0,0,0|2,0,0]=3 49 B10R0.71 OCCOCCCOCCO CS-0147765 [1,0,0,0,0,0|3,0,0]=4 50 B12R0.1 CCCCCCCCC(=O)OCC CS-0107002 [0,1,0,0,0,0|2,0,1]=4 51 B12R0.1 CCOC(=O)CCCCCCCBr CS-D1735 [0,1,0,0,0,0|2,0,1]=4 52 B12R0.5 BrCCCCCCCCCCCBr CS-0158384 [0,1,0,0,0,0|1,0,0]=2 53 B12R0.5 C#CCCCCCCCCCCO CS-W007273 [0,1,0,0,0,0|0,0,1]=2 54 B12R0.5 C=CCCCCCCCCCCBr CS-W005954 [0,1,0,0,0,0|1,0,1]=3 55 B12R0.5 C=CCCCCCCCCCCC CS-0186370 [0,1,0,0,0,0|1,0,0]=2 56 B12R0.5 CCCCCCCC=C=CCCO CS-1173693 [0,1,0,0,0,0|0,0,2]=3 57 B12R0.5 CCCCCCCCCCCCC CS-0128437 [0,1,0,0,0,0|1,0,0]=2 58 B12R0.5 CCCCCCCCCCCCCl CS-W013184 [0,1,0,0,0,0|1,0,0]=2 59 B12R0.5 CCCCCCCCCCCCI CS-0197229 [0,1,0,0,0,0|1,0,0]=2 60 B12R0.5 CCCCCCCCCCCCN CS-0013582 [0,1,0,0,0,0|1,0,0]=2 61 B12R0.5 CCCCCCCCCCCCN CS-0152187 [0,1,0,0,0,0|1,0,0]=2 62 B12R0.5 CCCCCCCCCCCCO CS-D1360 [0,1,0,0,0,0|0,0,0]=1 63 B12R0.5 CCCCCCNCCCCCC CS-W016942 [0,1,0,0,0,0|1,0,0]=2 64 B12R0.5 CCCCCCOCCOCCO CS-0198134 [0,1,0,0,0,0|1,0,0]=2 65 B12R0.5 CCOCCCCCCCCCO CS-B0285 [0,1,0,0,0,0|0,0,0]=1 66 B12R0.5 NCCOCCOCCOCCO CS-W008005 [0,1,0,0,0,0|3,0,0]=4 67 B12R0.5 OCCCCCCCCCCCBr CS-W014623 [0,1,0,0,0,0|0,0,0]=1 68 B12R0.5 OCCCCCCCCCCCO CS-W005218 [0,1,0,0,0,0|0,0,0]=1 69 B12R0.5 OCCCOCCCOCCCO CS-0359653 [0,1,0,0,0,0|2,0,0]=3 70 B12R0.5 OCCCOCCCOCCCO CS-W015809 [0,1,0,0,0,0|2,0,0]=3 71 B12R0.5 OCCOCCNCCOCCO CS-0107320 [0,1,0,0,0,0|3,0,0]=4 72 B12R0.5 OCCOCCOCCOCCBr CS-0108537 [0,1,0,0,0,0|3,0,0]=4 73 B12R0.5 OCCOCCOCCOCCO CS-W019531 [0,1,0,0,0,0|3,0,0]=4 74 B12R0.5 OCCOCCOCCOCCS CS-0116212 [0,1,0,0,0,0|3,0,0]=4 75 B12R0.206 CCCCCCCC(=O)OCCC CS-0185761 [0,1,0,0,0,0|2,0,1]=4 76 B12R0.234 C#CCCCCCCCCC(=O)O CS-0160163 [0,1,0,0,0,0|0,0,3]=4 77 B12R0.234 C=CCCCCCCCCC(=O)O CS-4383 [0,1,0,0,0,0|0,0,3]=4 78 B12R0.234 CCCCCCCCCCC(=O)O CS-W004282 [0,1,0,0,0,0|0,0,1]=2 79 B12R0.234 CCCCCCCCOCC(=O)O CS-0147297 [0,1,0,0,0,0|1,0,1]=3 80 B12R0.234 NCCCCCCCCCC(=O)O CS-0158386 [0,1,0,0,0,0|1,0,1]=3 81 B12R0.234 O=C(O)CCCCCCCCCBr CS-W014097 [0,1,0,0,0,0|1,0,1]=3 82 B12R0.234 O=C(O)CCCCCCCCCO CS-D1134 [0,1,0,0,0,0|1,0,1]=3 83 B12R0.248 C=C=C(C)CCCCCCCCC CS-1014372 [0,1,0,0,0,0|1,0,2]=4 84 B12R0.248 CCCCCCCCCC(=O)NN CS-0318324 [0,1,0,0,0,0|2,0,1]=4 85 B12R0.248 CCCCCCCCCC(=O)OC CS-W016888 [0,1,0,0,0,0|2,0,1]=4 86 B12R0.248 CCCCCCCCCC(=O)O[Na] CS-0034995 [0,1,0,0,0,0|2,0,1]=4 87 B12R0.248 CCCCCCCCOC(=O)CN CS-W013080 [0,1,0,0,0,0|2,0,1]=4 88 B12R0.248 COC(=O)CCCCCCCCBr CS-0129031 [0,1,0,0,0,0|2,0,1]=4 89 B12R0.248 COC(=O)CCCCCCCCO CS-W016785 [0,1,0,0,0,0|1,0,1]=3 90 B12R1.8 BrCCCCOC1CCCCO1 CS-0136605 [0,0,0,1,0,0|2,0,0]=3 91 B12R1.8 NCCOCCN1CCCCC1 CS-0364305 [0,0,0,1,0,0|3,0,0]=4 92 B12R1.8 OCCC=C=CC1CCCCC1 CS-1014368 [0,0,0,1,0,0|0,0,3]=4 93 B12R1.8 OCCC=C=CC1CCCCC1 CS-1173640 [0,0,0,1,0,0|0,0,3]=4 94 B12R1.8 OCCOCCN1CCNCC1 CS-M2281 [0,0,0,1,0,0|3,0,0]=4 95 B12R1.8 OCCOCCN1CCOCC1 CS-0155188 [0,0,0,1,0,0|3,0,0]=4 96 B12R1.37 CCCCCCCC1O[Rh][Rh]O1 CS-0035275 [0,0,0,1,0,0|3,0,0]=4 97 B9R0.45 BrCCCCCCCCBr CS-0007585 [2,0,0,0,0,0|2,0,0]=4 98 B9R0.45 C#CCCCCCCCC CS-0031636 [2,0,0,0,0,0|0,0,2]=4 99 B9R0.45 C#CCCCCCCCO CS-W018840 [2,0,0,0,0,0|0,0,2]=4 100 B9R0.45 C(CC)=CCCCCCO CS-W018274 [2,0,0,0,0,0|0,0,2]=4 101 B9R0.45 C=CCCCCCCCO CS-0185599 [2,0,0,0,0,0|0,0,2]=4 102 B9R0.45 CCCCC#CCCCC CS-0066208 [2,0,0,0,0,0|0,0,2]=4 103 B9R0.45 CCCCCCCCCBr CS-W015275 [2,0,0,0,0,0|1,0,0]=3 104 B9R0.45 CCCCCCCCCI CS-0179369 [2,0,0,0,0,0|1,0,0]=3 105 B9R0.45 CCCCCCCCCN CS-W016408 [2,0,0,0,0,0|1,0,0]=3 106 B9R0.45 CCCCCCCCCO CS-W009532 [2,0,0,0,0,0|0,0,0]=2 107 B9R0.45 CCCCCCCCNC CS-0152155 [2,0,0,0,0,0|1,0,0]=3 108 B9R0.45 CCCCCCCCSC CS-0451724 [2,0,0,0,0,0|1,0,0]=3 109 B9R0.45 CCCCNCCCCO CS-0152101 [2,0,0,0,0,0|1,0,0]=3 110 B9R0.45 CNCCCCCCNC CS-0150992 [2,0,0,0,0,0|2,0,0]=4 111 B9R0.45 COCCCCCCOC CS-0321041 [2,0,0,0,0,0|2,0,0]=4 112 B9R0.45 ICCCCCCCCI CS-0196432 [2,0,0,0,0,0|2,0,0]=4 113 B9R0.45 NCCCCCCCCN CS-W016375 [2,0,0,0,0,0|2,0,0]=4 114 B9R0.45 NCCCCCCCCO CS-0147845 [2,0,0,0,0,0|1,0,0]=3 115 B9R0.45 OCCCCCCCCBr CS-0015428 [2,0,0,0,0,0|1,0,0]=3 116 B9R0.45 OCCCCCCCCCl CS-W014309 [2,0,0,0,0,0|1,0,0]=3 117 B9R0.45 OCCCCCCCCO CS-W018224 [2,0,0,0,0,0|1,0,0]=3 118 B11R0.4 CCCCCCCC(=O)OCC CS-W016021 [1,1,0,0,0,0|1,0,1]=4 119 B11R0.40 CCCCCCCCC(O)CO CS-0198860 [1,1,0,0,0,0|0,0,0]=2 120 B11R0.140 CCCCCC(=O)CCCCC CS-0204308 [1,1,0,0,0,0|0,0,1]=3 121 B11R0.140 CCCCCC(N)CCCCC CS-0187827 [1,1,0,0,0,0|0,0,0]=2 122 B11R0.140 CCCCCC(O)CCCCC CS-0152329 [1,1,0,0,0,0|0,0,0]=2 123 B11R0.140 CCCCOC(C)OCCCC CS-0697968 [1,1,0,0,0,0|2,0,0]=4 124 B11R0.148 CCCCCCCCCC(=O)O CS-W016025 [1,1,0,0,0,0|0,0,1]=3 125 B11R0.148 CCCCCCCCCC(C)=O CS-W017685 [1,1,0,0,0,0|0,0,1]=3 126 B11R0.148 CCCCCCCCOC(C)=O CS-0008806 [1,1,0,0,0,0|1,0,1]=4 127 B11R0.148 CCCCOCCOCC(C)O CS-1101941 [1,1,0,0,0,0|2,0,0]=4 128 B11R0.148 CCCCOCCOCC(C)O CS-1101942 [1,1,0,0,0,0|2,0,0]=4 129 B11R0.148 CCCCOCCOCC(C)O CS-1101944 [1,1,0,0,0,0|2,0,0]=4 130 B11R0.148 NCCCCCCCCC(=O)O CS-0158369 [1,1,0,0,0,0|1,0,1]=4 131 B11R0.148 O=C(O)CCCCCCCCBr CS-W007587 [1,1,0,0,0,0|1,0,1]=4 132 B11R0.148 O=C(O)CCCCCCCCO CS-W010763 [1,1,0,0,0,0|1,0,1]=4 133 B13R0.2 CCCCCCCCCC(=O)OCC CS-W015600 [0,2,0,0,0,0|1,0,1]=4 134 B13R0.2 CCOC(=O)CCCCCCCCBr CS-0151580 [0,2,0,0,0,0|1,0,1]=4 135 B13R0.54 C=CCCCCCCCCCC(=O)O CS-0361307 [0,2,0,0,0,0|0,0,2]=4 136 B13R0.54 CCCCCCCCCCCC(=O)O CS-0015078 [0,2,0,0,0,0|0,0,0]=2 137 B13R0.54 CCCCCCCCCCCC(=O)[O-] CS-0198226 [0,2,0,0,0,0|0,0,1]=3 138 B13R0.54 CCCCCCCCCCCC(C)=O CS-W010527 [0,2,0,0,0,0|0,0,1]=3 139 B13R0.54 CCCCCCCCCCCC(N)=O CS-0206349 [0,2,0,0,0,0|0,0,1]=3 140 B13R0.54 CCCCCCCCCCNC(C)=O CS-0901356 [0,2,0,0,0,0|0,0,2]=4 141 B13R0.54 CCCCCCCCC\C=C\C(=O)O CS-0152270 [0,2,0,0,0,0|0,0,2]=4 142 B13R0.54 CCCCCC\C=C/CCCC(=O)O CS-0144620 [0,2,0,0,0,0|0,0,2]=4 143 B13R0.54 NCCCCCCCCCCC(=O)O CS-W015547 [0,2,0,0,0,0|0,0,1]=3 144 B13R0.54 O=C(O)CCCCCCCCCCS CS-W014785 [0,2,0,0,0,0|0,0,1]=3 145 B13R0.147 CCCCCCCCCCC(=O)OC CS-W004285 [0,2,0,0,0,0|0,0,1]=3 146 B13R0.147 COC(=O)CCCCCCCCCBr CS-0129053 [0,2,0,0,0,0|1,0,1]=4 147 B13R0.165 CCCCCCC(=O)CCCCCC CS-0152307 [0,2,0,0,0,0|1,0,0]=3 148 B13R0.336 BrCCCCCCCCCCCCBr CS-W009861 [0,2,0,0,0,0|1,0,0]=3 149 B13R0.336 C=CCCCCCCCCCCCBr CS-0199727 [0,2,0,0,0,0|1,0,0]=3 150 B13R0.336 CCCCCCCCCCCCCBr CS-0168435 [0,2,0,0,0,0|1,0,0]=3 151 B13R0.336 CCCCCCCCCCCCCC CS-0146758 [0,2,0,0,0,0|1,0,0]=3 152 B13R0.336 CCCCCCCCCCCCCO CS-W004293 [0,2,0,0,0,0|0,0,0]=2 153 B13R0.336 CCCCCCCCCCCCNC CS-0152183 [0,2,0,0,0,0|1,0,0]=3 154 B13R0.336 CCCCCCCCCCCCSC CS-0316057 [0,2,0,0,0,0|0,1,0]=3 155 B13R0.336 CCCCOCCOCCOCCO CS-0196787 [0,2,0,0,0,0|1,0,0]=3 156 B13R0.336 CNCCOCCOCCOCCO CS-0115015 [0,2,0,0,0,0|2,0,0]=4 157 B13R0.336 COCCOCCOCCOCCO CS-W019151 [0,2,0,0,0,0|2,0,0]=4 158 B13R0.336 NCCCCCCCCCCCCN CS-W015599 [0,2,0,0,0,0|1,0,0]=3 159 B13R0.336 NCCCCCCCCCCCCO CS-W004299 [0,2,0,0,0,0|0,0,0]=2 160 B13R0.336 NCCCCNCCCNCCCN CS-0609904 [0,2,0,0,0,0|2,0,0]=4 161 B13R0.336 NCCCNCCCCNCCCN CS-0021166 [0,2,0,0,0,0|2,0,0]=4 162 B13R0.336 NCCOCCOCCCCCCCl CS-0147770 [0,2,0,0,0,0|2,0,0]=4 163 B13R0.336 OCCCCCCCCCCCCBr CS-0158375 [0,2,0,0,0,0|0,0,0]=2 164 B13R0.336 OCCCCCOCCCCCCCl CS-0062997 [0,2,0,0,0,0|0,0,0]=2 165 B13R0.336 OCCOCCOCCCCCCCl CS-0062725 [0,2,0,0,0,0|1,0,0]=3 166 B13R0.280 CCCCCCCCCC[N+](C)(C)C CS-W009346 [0,2,0,0,0,0|2,0,0]=4 167 B13R0.280 CCCCCCCCCC[Si](C)(C)Cl CS-0199116 [0,2,0,0,0,0|1,1,0]=4 168 B13R0.280 CCCCCCCCCC[Si](C)(Cl)Cl CS-0213599 [0,2,0,0,0,0|1,1,0]=4 169 B13R0.412 CCCCCCCCCC(OC)OC CS-0589485 [0,2,0,0,0,0|2,0,0]=4 170 B11R1.4 NCCCCCN1CCCC1 CS-0187075 [1,0,0,1,0,0|2,0,0]=4 171 B11R1.4 OCCCCOC1CCCO1 CS-0158350 [1,0,0,1,0,0|2,0,0]=4 172 B11R1.28 BrCCCOC1CCCCO1 CS-W008007 [1,0,0,1,0,0|2,0,0]=4 173 B11R1.28 CNCCCN1CCCCC1 CS-0322298 [1,0,0,1,0,0|2,0,0]=4 174 B11R1.28 NCCCNC1CCCCC1 CS-W016230 [1,0,0,1,0,0|2,0,0]=4 175 B11R1.28 OCCCCC1CCCCC1 CS-0155328 [1,0,0,1,0,0|0,0,0]=2 176 B11R1.28 OCCCCN1CCNCC1 CS-0530453 [1,0,0,1,0,0|2,0,0]=4 177 B11R1.99 CCCCCCCCC1CO1 CS-0204736 [1,0,0,1,0,0|0,0,0]=2 178 B11R1.203 NCCCN1CCCCCC1 CS-0075712 [1,0,0,1,0,0|2,0,0]=4 179 B13R1.119 OCCOCCOCC1CCCO1 CS-0700558 [0,1,0,1,0,0|2,0,0]=4 180 B13R1.279 NC1CCCCCCCCCCC1 CS-0074513 [0,1,0,1,0,0|1,0,0]=3 181 B13R1.279 O=C1CCCCCCCCCCC1 CS-W017092 [0,1,0,1,0,0|0,0,1]=3 182 B13R1.659 CCCCCCCCCCC1CO1 CS-0152245 [0,1,0,1,0,0|0,0,0]=2 183 B13R1.27 CCCCCCCC1CCC(=O)O1 CS-W016994 [0,1,0,1,0,0|0,0,1]=3 184 B13R2.3 C1CCC(C2CCCCC2)CC1 CS-0081506 [0,0,0,2,0,0|1,0,0]=3 185 B13R2.3 C1CCC(C2CCCCN2)NC1 CS-0155248 [0,0,0,2,0,0|2,0,0]=4 186 B13R2.18 N[C@@H]1CCCC[C@H]1N2CCCC2 CS-0091955 [0,0,0,2,0,0|2,0,0]=4 187 B13R2.18 N[C@H]1CCCC[C@@H]1N2CCCC2 CS-0091855 [0,0,0,2,0,0|2,0,0]=4