0 B12R0.234 C#CCCCCCCCCC(=O)O CS-0160163 [0,0,0,0,0,0|0,0,2]=2 1 B12R0.234 C=CCCCCCCCCC(=O)O CS-4383 [0,0,0,0,0,0|0,0,2]=2 2 B12R0.234 CCCCCCCCCCC(=O)O CS-W004282 [0,0,0,0,0,0|0,0,0]=0 3 B12R0.234 CCCCCCCCOCC(=O)O CS-0147297 [0,0,0,0,0,0|1,0,0]=1 4 B12R0.234 NCCCCCCCCCC(=O)O CS-0158386 [0,0,0,0,0,0|1,0,0]=1 5 B12R0.234 NCCOCCOCCCC(=O)O CS-0114418 [0,0,0,0,0,0|3,0,0]=3 6 B12R0.234 O=C(O)CCCCCCCCCBr CS-W014097 [0,0,0,0,0,0|1,0,0]=1 7 B12R0.234 O=C(O)CCCCCCCCCO CS-D1134 [0,0,0,0,0,0|1,0,0]=1 8 B12R0.234 O=C(O)\C=C\CCCCCCCO CS-0016772 [0,0,0,0,0,0|1,0,2]=3 9 B12R0.234 O=C(O)\C=C\CCCCCCCO CS-0648816 [0,0,0,0,0,0|1,0,2]=3 10 B11R0.3 BrCCCCCCCCCCBr CS-W009956 [1,0,0,0,0,0|2,0,1]=4 11 B11R0.3 C#CCCCCCCCCCBr CS-1051059 [1,0,0,0,0,0|2,0,1]=4 12 B11R0.3 C#CCCCCCCCCCO CS-0129050 [1,0,0,0,0,0|0,0,3]=4 13 B11R0.3 C=CCCCCCCCCC=O CS-W020162 [1,0,0,0,0,0|0,0,2]=3 14 B11R0.3 C=CCCCCCCCCCBr CS-W020160 [1,0,0,0,0,0|2,0,0]=3 15 B11R0.3 C=CCCCCCCCCCCl CS-0068727 [1,0,0,0,0,0|2,0,0]=3 16 B11R0.3 C=CCCCCCCCCCN CS-0068719 [1,0,0,0,0,0|2,0,0]=3 17 B11R0.3 C=CCCCCCCCCCO CS-W004298 [1,0,0,0,0,0|2,0,0]=3 18 B11R0.3 CCCCCCCCCCCBr CS-0085449 [1,0,0,0,0,0|1,0,1]=3 19 B11R0.3 CCCCCCCCCCCC CS-0152244 [1,0,0,0,0,0|1,0,1]=3 20 B11R0.3 CCCCCCCCCCCO CS-W004292 [1,0,0,0,0,0|0,0,1]=2 21 B11R0.3 ClCCCCCCCCCCCl CS-0100393 [1,0,0,0,0,0|2,0,1]=4 22 B11R0.3 NCCCCCCCCCCN CS-W017587 [1,0,0,0,0,0|2,0,1]=4 23 B11R0.3 NCCCCCCCCCCO CS-W017545 [1,0,0,0,0,0|1,0,1]=3 24 B11R0.3 OCCCCCCCCCCBr CS-W008264 [1,0,0,0,0,0|1,0,1]=3 25 B11R0.3 OCCCCCCCCCCCl CS-0158370 [1,0,0,0,0,0|1,0,1]=3 26 B11R0.3 OCCCCCCCCCCO CS-W017489 [1,0,0,0,0,0|1,0,1]=3 27 B11R0.148 C#CCCCCCCCC(=O)O CS-0143674 [1,0,0,0,0,0|0,0,2]=3 28 B11R0.148 CCCCCCCCCC(=O)O CS-W016025 [1,0,0,0,0,0|0,0,0]=1 29 B11R0.148 CCCCCCCCCC(C)=O CS-W017685 [1,0,0,0,0,0|1,0,0]=2 30 B11R0.148 CCCCCCCCOC(C)=O CS-0008806 [1,0,0,0,0,0|2,0,0]=3 31 B11R0.148 CCCCCCC\C=C\C(=O)O CS-0534 [1,0,0,0,0,0|0,0,2]=3 32 B11R0.148 COCCOCCOCC(=O)O CS-0046435 [1,0,0,0,0,0|3,0,0]=4 33 B11R0.148 NCCCCCCCCC(=O)O CS-0158369 [1,0,0,0,0,0|1,0,0]=2 34 B11R0.148 NCCOCCOCCC(=O)O CS-W020908 [1,0,0,0,0,0|3,0,0]=4 35 B11R0.148 O=C(O)CCCCCCCCBr CS-W007587 [1,0,0,0,0,0|1,0,0]=2 36 B11R0.148 O=C(O)CCCCCCCCO CS-W010763 [1,0,0,0,0,0|1,0,0]=2 37 B11R0.148 O=C(O)CCOCCOCCBr CS-0114615 [1,0,0,0,0,0|3,0,0]=4 38 B11R0.148 O=C(O)CCOCCOCCO CS-0086325 [1,0,0,0,0,0|3,0,0]=4 39 B11R0.148 O=C(O)CCOCCOCCS CS-0148621 [1,0,0,0,0,0|3,0,0]=4 40 B13R0.54 C=CCCCCCCCCCC(=O)O CS-0361307 [0,1,0,0,0,0|0,0,1]=2 41 B13R0.54 CCCCCCCCCCCC(=O)O CS-0015078 [0,1,0,0,0,0|0,0,0]=1 42 B13R0.54 CCCCCCCCCCCC(=O)[O-] CS-0198226 [0,1,0,0,0,0|0,0,1]=2 43 B13R0.54 CCCCCCCCCCCC(C)=O CS-W010527 [0,1,0,0,0,0|1,0,0]=2 44 B13R0.54 CCCCCCCCCCCC(N)=O CS-0206349 [0,1,0,0,0,0|1,0,0]=2 45 B13R0.54 CCCCCCCCCCNC(C)=O CS-0901356 [0,1,0,0,0,0|1,0,0]=2 46 B13R0.54 CCCCCCCCC\C=C\C(=O)O CS-0152270 [0,1,0,0,0,0|0,0,1]=2 47 B13R0.54 CCCCCC\C=C/CCCC(=O)O CS-0144620 [0,1,0,0,0,0|0,0,1]=2 48 B13R0.54 NCCCCCCCCCCC(=O)O CS-W015547 [0,1,0,0,0,0|0,0,0]=1 49 B13R0.54 NCCOCCOCCOCC(=O)O CS-0115122 [0,1,0,0,0,0|3,0,0]=4 50 B13R0.54 O=C(O)CCCCCCCCCCS CS-W014785 [0,1,0,0,0,0|0,0,0]=1 51 B13R0.54 O=C(O)COCCOCCOCCO CS-0100058 [0,1,0,0,0,0|3,0,0]=4 52 B13R0.88 CCOC(=O)CCCCCCC(=O)O CS-0446113 [0,1,0,0,0,0|1,0,1]=3 53 B13R0.147 C=CCCCCCCCCC(=O)OC CS-0068709 [0,1,0,0,0,0|0,0,2]=3 54 B13R0.147 C=CCCCCCCCCC(=O)O[Na] CS-0185683 [0,1,0,0,0,0|0,0,2]=3 55 B13R0.147 CCCCCCCCCCC(=O)OC CS-W004285 [0,1,0,0,0,0|0,0,0]=1 56 B13R0.147 COC(=O)CCCCCCCCCBr CS-0129053 [0,1,0,0,0,0|1,0,0]=2 57 B13R0.154 CCCCCCCC(=O)NCC(=O)O CS-0152288 [0,1,0,0,0,0|1,0,1]=3 58 B13R0.179 O=C(O)CCCCCCCCC(=O)O CS-W012874 [0,1,0,0,0,0|1,0,1]=3 59 B13R0.179 O=C(O)CCCCCCCCC(=O)O CS-W015503 [0,1,0,0,0,0|1,0,1]=3 60 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] CS-0205299 [0,1,0,0,0,0|1,0,2]=4 61 B13R0.202 COC(=O)CCCCCCCC(=O)O CS-0150694 [0,1,0,0,0,0|1,0,1]=3 62 B13R0.280 CCCCCCCCCC[N+](C)(C)C CS-W009346 [0,1,0,0,0,0|3,0,0]=4 63 B13R0.280 CCCCCCCCCC[Si](C)(C)Cl CS-0199116 [0,1,0,0,0,0|2,1,0]=4 64 B13R0.280 CCCCCCCCCC[Si](C)(Cl)Cl CS-0213599 [0,1,0,0,0,0|2,1,0]=4 65 B13R1.27 CCCCCCCC1CCC(=O)O1 CS-W016994 [0,0,0,1,0,0|0,0,0]=1 66 B13R1.279 NC1CCCCCCCCCCC1 CS-0074513 [0,0,0,1,0,0|2,0,1]=4 67 B13R1.279 O=C1CCCCCCCCCCC1 CS-W017092 [0,0,0,1,0,0|1,0,0]=2 68 B13R1.659 CCCCCCCCCCC1CO1 CS-0152245 [0,0,0,1,0,0|1,0,1]=3 69 B10R0.71 BrCCCCCCCCCBr CS-W020735 [2,0,0,0,0,0|2,0,0]=4 70 B10R0.71 C#CCCCCCCCCC CS-0206842 [2,0,0,0,0,0|0,0,2]=4 71 B10R0.71 C(C=O)=CCCCCCCC CS-W016267 [2,0,0,0,0,0|0,0,2]=4 72 B10R0.71 C=C=CCCCCCCCC CS-1014355 [2,0,0,0,0,0|0,0,2]=4 73 B10R0.71 C=CCCCCCCCCBr CS-W013154 [2,0,0,0,0,0|1,0,1]=4 74 B10R0.71 C=CCCCCCCCCO CS-0158001 [2,0,0,0,0,0|0,0,2]=4 75 B10R0.71 CCCCCCCCCCCl CS-W017386 [2,0,0,0,0,0|1,0,0]=3 76 B10R0.71 CCCCCCCCCCI CS-0196431 [2,0,0,0,0,0|1,0,0]=3 77 B10R0.71 CCCCCCCCCCN CS-W016217 [2,0,0,0,0,0|1,0,0]=3 78 B10R0.71 CCCCCCCCCCO CS-0015994 [2,0,0,0,0,0|0,0,0]=2 79 B10R0.71 ClCCCCCCCCCCl CS-W001919 [2,0,0,0,0,0|2,0,0]=4 80 B10R0.71 NCCCCCCCCCN CS-0158368 [2,0,0,0,0,0|2,0,0]=4 81 B10R0.71 NCCCCCCCCCO CS-0374982 [2,0,0,0,0,0|1,0,0]=3 82 B10R0.71 OCCCCCCCCCBr CS-B0284 [2,0,0,0,0,0|1,0,0]=3 83 B10R0.71 OCCCCCCCCCCl CS-0158372 [2,0,0,0,0,0|1,0,0]=3 84 B10R0.71 OCCCCCCCCCO CS-0008364 [2,0,0,0,0,0|1,0,0]=3 85 B10R0.71 OCCCCOCCCCO CS-0158348 [2,0,0,0,0,0|2,0,0]=4 86 B10R0.4 C#CCCCCCCC(=O)O CS-0131147 [2,0,0,0,0,0|0,0,2]=4 87 B10R0.4 CCCCCCCCB(O)O CS-W000909 [2,0,0,0,0,0|1,0,1]=4 88 B10R0.4 CCCCCCCCC(=O)O CS-0076036 [2,0,0,0,0,0|0,0,0]=2 89 B10R0.4 NCCCCCCCC(=O)O CS-0661652 [2,0,0,0,0,0|1,0,0]=3 90 B10R0.4 NCCCCCCCC(=O)O CS-W019464 [2,0,0,0,0,0|1,0,0]=3 91 B10R0.4 O=C(O)CCCCCCCBr CS-W007700 [2,0,0,0,0,0|1,0,0]=3 92 B10R0.4 O=C(O)CCCCCCCO CS-0187285 [2,0,0,0,0,0|1,0,0]=3 93 B12R0.5 BrCCCCCCCCCCCBr CS-0158384 [1,1,0,0,0,0|1,0,1]=4 94 B12R0.5 C#CCCCCCCCCCCO CS-W007273 [1,1,0,0,0,0|0,0,2]=4 95 B12R0.5 C=CCCCCCCCCCCBr CS-W005954 [1,1,0,0,0,0|1,0,0]=3 96 B12R0.5 C=CCCCCCCCCCCC CS-0186370 [1,1,0,0,0,0|1,0,0]=3 97 B12R0.5 CCCCCCCCCCCCC CS-0128437 [1,1,0,0,0,0|1,0,1]=4 98 B12R0.5 CCCCCCCCCCCCCl CS-W013184 [1,1,0,0,0,0|1,0,1]=4 99 B12R0.5 CCCCCCCCCCCCI CS-0197229 [1,1,0,0,0,0|1,0,1]=4 100 B12R0.5 CCCCCCCCCCCCN CS-0013582 [1,1,0,0,0,0|1,0,1]=4 101 B12R0.5 CCCCCCCCCCCCN CS-0152187 [1,1,0,0,0,0|1,0,1]=4 102 B12R0.5 CCCCCCCCCCCCO CS-D1360 [1,1,0,0,0,0|0,0,1]=3 103 B12R0.5 CCCCCCNCCCCCC CS-W016942 [1,1,0,0,0,0|1,0,1]=4 104 B12R0.5 CCCCCCOCCOCCO CS-0198134 [1,1,0,0,0,0|1,0,1]=4 105 B12R0.5 CCOCCCCCCCCCO CS-B0285 [1,1,0,0,0,0|0,0,1]=3 106 B12R0.5 OCCCCCCCCCCCBr CS-W014623 [1,1,0,0,0,0|0,0,1]=3 107 B12R0.5 OCCCCCCCCCCCO CS-W005218 [1,1,0,0,0,0|0,0,1]=3 108 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] CS-0148395 [1,1,0,0,0,0|1,0,1]=4 109 B12R0.184 COC(=O)CCCCCCC(=O)O CS-W001958 [1,1,0,0,0,0|1,0,1]=4 110 B12R0.251 CCCCCCCCC(O)C(=O)O CS-0064248 [1,1,0,0,0,0|0,0,0]=2 111 B12R0.251 CCCCCCCC[C@H](N)C(=O)O CS-0182631 [1,1,0,0,0,0|0,0,0]=2 112 B12R0.268 O=C(O)CCCCCCCC(=O)O CS-4316 [1,1,0,0,0,0|1,0,1]=4 113 B12R0.277 CCOC(=O)CCCCCC(=O)O CS-W016803 [1,1,0,0,0,0|1,0,1]=4 114 B14R0.68 O=C(O)CCCCCCCCCC(=O)O CS-W014841 [0,2,0,0,0,0|0,0,1]=3 115 B14R0.305 COC(=O)CCCCCCCCC(=O)O CS-0206512 [0,2,0,0,0,0|0,0,1]=3 116 B14R0.337 C=CC(=O)OCCCCCCCCCC CS-0320686 [0,2,0,0,0,0|1,0,0]=3 117 B14R0.337 CCCCCCCCCCCC(=O)NC CS-0207165 [0,2,0,0,0,0|1,0,0]=3 118 B14R0.337 CCCCCCCCCCCC(=O)NN CS-0315851 [0,2,0,0,0,0|1,0,0]=3 119 B14R0.337 CCCCCCCCCCCC(=O)OC CS-W004286 [0,2,0,0,0,0|0,0,0]=2 120 B14R0.337 CCCCCCCCCCCC(=O)O[K] CS-0198015 [0,2,0,0,0,0|0,0,0]=2 121 B14R0.337 COC(=O)CCCCCCCCCCBr CS-0109940 [0,2,0,0,0,0|0,0,0]=2 122 B14R0.337 COC(=O)CCCCCCCCCCN CS-0129049 [0,2,0,0,0,0|0,0,0]=2 123 B14R0.340 CCCCCCCCCCC(N)C(=O)O CS-0152253 [0,2,0,0,0,0|0,0,0]=2 124 B14R0.394 C=CCCCCCCCCCCC(=O)O CS-0644145 [0,2,0,0,0,0|0,0,0]=2 125 B14R0.394 CCCCCCCCCCCCB(O)O CS-0175075 [0,2,0,0,0,0|1,0,1]=4 126 B14R0.394 CCCCCCCCCCCCC(=O)O CS-D1510 [0,2,0,0,0,0|0,0,0]=2 127 B14R0.394 CCCCCCCCCCCCC(C)=O CS-0149221 [0,2,0,0,0,0|1,0,0]=3 128 B14R0.394 CCCCCCCCCCCCS(C)=O CS-W010351 [0,2,0,0,0,0|2,0,0]=4 129 B14R0.394 COCCOCCOCCOCC(=O)O CS-0107949 [0,2,0,0,0,0|2,0,0]=4 130 B14R0.394 NCCOCCOCCOCCC(=O)O CS-0167117 [0,2,0,0,0,0|2,0,0]=4 131 B14R0.394 NCCOCCOCCOCCC(=O)O CS-W020905 [0,2,0,0,0,0|2,0,0]=4 132 B14R0.394 O=C(O)CCCCCCCCCCCBr CS-0158383 [0,2,0,0,0,0|0,0,0]=2 133 B14R0.394 O=C(O)CCOCCOCCOCCBr CS-0096840 [0,2,0,0,0,0|2,0,0]=4 134 B14R0.394 O=C(O)CCOCCOCCOCCO CS-0109964 [0,2,0,0,0,0|2,0,0]=4 135 B14R0.394 O=C(O)CCOCCOCCOCCS CS-0114525 [0,2,0,0,0,0|2,0,0]=4 136 B14R0.35 CCCC(=O)NCCCC[C@H](N)C(=O)O CS-0100615 [0,2,0,0,0,0|1,0,1]=4 137 B14R0.197 COC(=O)CCCCCCCC(=O)OC CS-0198986 [0,2,0,0,0,0|1,0,1]=4 138 B14R0.393 CCCCCCCCCCC(=O)OCC CS-W014923 [0,2,0,0,0,0|0,0,0]=2 139 B14R0.393 CCOC(=O)CCCCCCCCCBr CS-0001454 [0,2,0,0,0,0|1,0,0]=3 140 B14R0.2056 CCCCCCCCCCS(=O)(=O)O[Na] CS-W010261 [0,2,0,0,0,0|1,0,0]=3 141 B12R1.18 NCCCN1CCCCCC1=O CS-0155358 [1,0,0,1,0,0|2,0,0]=4 142 B12R1.7 CCCCCCC1CCC(=O)O1 CS-W017696 [1,0,0,1,0,0|0,0,0]=2 143 B12R1.28 CCCCCC1CCCC(=O)O1 CS-W017695 [1,0,0,1,0,0|0,0,0]=2 144 B12R1.252 O=C(O)CCCC1CCCCC1 CS-0155329 [1,0,0,1,0,0|0,0,0]=2 145 B12R1.252 O=C(O)CCCC1CCNCC1 CS-W015257 [1,0,0,1,0,0|1,0,0]=3 146 B12R1.255 O=C(O)CCCCC1CCSS1 CS-4370 [1,0,0,1,0,0|2,0,0]=4 147 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 CS-5076 [1,0,0,1,0,0|2,0,0]=4 148 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 CS-W015306 [1,0,0,1,0,0|2,0,0]=4 149 B12R1.1343 O=C(O)CCN1CCCCCC1 CS-0445324 [1,0,0,1,0,0|1,0,0]=3 150 B14R1.26 CCCCCCCC1CCCC(=O)O1 CS-W010531 [0,1,0,1,0,0|0,0,0]=2 151 B14R1.122 CCCCCCCCC1CCC(=O)O1 CS-0320646 [0,1,0,1,0,0|0,0,0]=2 152 B14R1.4408 O=C1CCCCCCCCCCCN1 CS-0313348 [0,1,0,1,0,0|1,0,0]=3 153 B14R1.14 CCCCCCCC1CCC(=O)CC1 CS-0162601 [0,1,0,1,0,0|1,0,0]=3 154 B14R1.3331 O=S(=O)(O)CCCNC1CCCCC1 CS-0015179 [0,1,0,1,0,0|2,0,0]=4 155 B14R2.781 O=C(O)C1CCC2CCCCC2C1 CS-0224240 [0,0,0,2,0,0|0,0,0]=2