0 B13R0.54 C=CCCCCCCCCCC(=O)O CS-0361307 [0,0,0,0,0,0|0,0,2]=2 1 B13R0.54 CCCCCCCCCCCC(=O)O CS-0015078 [0,0,0,0,0,0|0,0,0]=0 2 B13R0.54 CCCCCCCCCCCC(=O)[O-] CS-0198226 [0,0,0,0,0,0|0,0,1]=1 3 B13R0.54 CCCCCCCCCCCC(C)=O CS-W010527 [0,0,0,0,0,0|1,0,0]=1 4 B13R0.54 CCCCCCCCCCCC(N)=O CS-0206349 [0,0,0,0,0,0|1,0,0]=1 5 B13R0.54 CCCCCCCCCCNC(C)=O CS-0901356 [0,0,0,0,0,0|2,0,0]=2 6 B13R0.54 CCCCCCCCC\C=C\C(=O)O CS-0152270 [0,0,0,0,0,0|0,0,2]=2 7 B13R0.54 CCCCCC\C=C/CCCC(=O)O CS-0144620 [0,0,0,0,0,0|0,0,2]=2 8 B13R0.54 NCCCCCCCCCCC(=O)O CS-W015547 [0,0,0,0,0,0|1,0,0]=1 9 B13R0.54 NCCOCCOCCOCC(=O)O CS-0115122 [0,0,0,0,0,0|4,0,0]=4 10 B13R0.54 O=C(O)CCCCCCCCCCS CS-W014785 [0,0,0,0,0,0|1,0,0]=1 11 B13R0.54 O=C(O)COCCOCCOCCO CS-0100058 [0,0,0,0,0,0|4,0,0]=4 12 B12R0.5 BrCCCCCCCCCCCBr CS-0158384 [1,0,0,0,0,0|2,0,1]=4 13 B12R0.5 C#CCCCCCCCCCCO CS-W007273 [1,0,0,0,0,0|0,0,3]=4 14 B12R0.5 C=CCCCCCCCCCCBr CS-W005954 [1,0,0,0,0,0|2,0,0]=3 15 B12R0.5 C=CCCCCCCCCCCC CS-0186370 [1,0,0,0,0,0|1,0,0]=2 16 B12R0.5 CCCCCCCCCCCCC CS-0128437 [1,0,0,0,0,0|1,0,1]=3 17 B12R0.5 CCCCCCCCCCCCCl CS-W013184 [1,0,0,0,0,0|1,0,1]=3 18 B12R0.5 CCCCCCCCCCCCI CS-0197229 [1,0,0,0,0,0|1,0,1]=3 19 B12R0.5 CCCCCCCCCCCCN CS-0013582 [1,0,0,0,0,0|1,0,1]=3 20 B12R0.5 CCCCCCCCCCCCN CS-0152187 [1,0,0,0,0,0|1,0,1]=3 21 B12R0.5 CCCCCCCCCCCCO CS-D1360 [1,0,0,0,0,0|0,0,1]=2 22 B12R0.5 CCCCCCNCCCCCC CS-W016942 [1,0,0,0,0,0|2,0,1]=4 23 B12R0.5 CCCCCCOCCOCCO CS-0198134 [1,0,0,0,0,0|2,0,1]=4 24 B12R0.5 CCOCCCCCCCCCO CS-B0285 [1,0,0,0,0,0|1,0,1]=3 25 B12R0.5 OCCCCCCCCCCCBr CS-W014623 [1,0,0,0,0,0|1,0,1]=3 26 B12R0.5 OCCCCCCCCCCCO CS-W005218 [1,0,0,0,0,0|1,0,1]=3 27 B12R0.234 C#CCCCCCCCCC(=O)O CS-0160163 [1,0,0,0,0,0|0,0,2]=3 28 B12R0.234 C=CCCCCCCCCC(=O)O CS-4383 [1,0,0,0,0,0|0,0,2]=3 29 B12R0.234 CCCCCCCCCCC(=O)O CS-W004282 [1,0,0,0,0,0|0,0,0]=1 30 B12R0.234 CCCCCCCCOCC(=O)O CS-0147297 [1,0,0,0,0,0|1,0,0]=2 31 B12R0.234 NCCCCCCCCCC(=O)O CS-0158386 [1,0,0,0,0,0|1,0,0]=2 32 B12R0.234 NCCOCCOCCCC(=O)O CS-0114418 [1,0,0,0,0,0|3,0,0]=4 33 B12R0.234 O=C(O)CCCCCCCCCBr CS-W014097 [1,0,0,0,0,0|1,0,0]=2 34 B12R0.234 O=C(O)CCCCCCCCCO CS-D1134 [1,0,0,0,0,0|1,0,0]=2 35 B12R0.234 O=C(O)\C=C\CCCCCCCO CS-0016772 [1,0,0,0,0,0|1,0,2]=4 36 B12R0.234 O=C(O)\C=C\CCCCCCCO CS-0648816 [1,0,0,0,0,0|1,0,2]=4 37 B14R0.68 O=C(O)CCCCCCCCCC(=O)O CS-W014841 [0,1,0,0,0,0|1,0,1]=3 38 B14R0.305 COC(=O)CCCCCCCCC(=O)O CS-0206512 [0,1,0,0,0,0|1,0,1]=3 39 B14R0.337 C=CC(=O)OCCCCCCCCCC CS-0320686 [0,1,0,0,0,0|2,0,0]=3 40 B14R0.337 CCCCCCCCCCCC(=O)NC CS-0207165 [0,1,0,0,0,0|1,0,0]=2 41 B14R0.337 CCCCCCCCCCCC(=O)NN CS-0315851 [0,1,0,0,0,0|1,0,0]=2 42 B14R0.337 CCCCCCCCCCCC(=O)OC CS-W004286 [0,1,0,0,0,0|0,0,0]=1 43 B14R0.337 CCCCCCCCCCCC(=O)O[K] CS-0198015 [0,1,0,0,0,0|0,0,0]=1 44 B14R0.337 COC(=O)CCCCCCCCCCBr CS-0109940 [0,1,0,0,0,0|1,0,0]=2 45 B14R0.337 COC(=O)CCCCCCCCCCN CS-0129049 [0,1,0,0,0,0|1,0,0]=2 46 B14R0.340 CCCCCCCCCCC(N)C(=O)O CS-0152253 [0,1,0,0,0,0|0,0,0]=1 47 B14R0.394 C=CCCCCCCCCCCC(=O)O CS-0644145 [0,1,0,0,0,0|0,0,1]=2 48 B14R0.394 CCCCCCCCCCCCB(O)O CS-0175075 [0,1,0,0,0,0|1,0,1]=3 49 B14R0.394 CCCCCCCCCCCCC(=O)O CS-D1510 [0,1,0,0,0,0|0,0,0]=1 50 B14R0.394 CCCCCCCCCCCCC(C)=O CS-0149221 [0,1,0,0,0,0|1,0,0]=2 51 B14R0.394 CCCCCCCCCCCCS(C)=O CS-W010351 [0,1,0,0,0,0|2,0,0]=3 52 B14R0.394 COCCOCCOCCOCC(=O)O CS-0107949 [0,1,0,0,0,0|3,0,0]=4 53 B14R0.394 NCCOCCOCCOCCC(=O)O CS-0167117 [0,1,0,0,0,0|3,0,0]=4 54 B14R0.394 NCCOCCOCCOCCC(=O)O CS-W020905 [0,1,0,0,0,0|3,0,0]=4 55 B14R0.394 O=C(O)CCCCCCCCCCCBr CS-0158383 [0,1,0,0,0,0|0,0,0]=1 56 B14R0.394 O=C(O)CCOCCOCCOCCBr CS-0096840 [0,1,0,0,0,0|3,0,0]=4 57 B14R0.394 O=C(O)CCOCCOCCOCCO CS-0109964 [0,1,0,0,0,0|3,0,0]=4 58 B14R0.394 O=C(O)CCOCCOCCOCCS CS-0114525 [0,1,0,0,0,0|3,0,0]=4 59 B14R1.26 CCCCCCCC1CCCC(=O)O1 CS-W010531 [0,0,0,1,0,0|0,0,0]=1 60 B14R1.122 CCCCCCCCC1CCC(=O)O1 CS-0320646 [0,0,0,1,0,0|0,0,0]=1 61 B14R1.4408 O=C1CCCCCCCCCCCN1 CS-0313348 [0,0,0,1,0,0|1,0,0]=2 62 B11R0.3 BrCCCCCCCCCCBr CS-W009956 [2,0,0,0,0,0|2,0,0]=4 63 B11R0.3 C#CCCCCCCCCCO CS-0129050 [2,0,0,0,0,0|0,0,2]=4 64 B11R0.3 C=CCCCCCCCCC=O CS-W020162 [2,0,0,0,0,0|0,0,2]=4 65 B11R0.3 C=CCCCCCCCCCBr CS-W020160 [2,0,0,0,0,0|1,0,1]=4 66 B11R0.3 C=CCCCCCCCCCCl CS-0068727 [2,0,0,0,0,0|1,0,1]=4 67 B11R0.3 C=CCCCCCCCCCN CS-0068719 [2,0,0,0,0,0|1,0,1]=4 68 B11R0.3 C=CCCCCCCCCCO CS-W004298 [2,0,0,0,0,0|0,0,2]=4 69 B11R0.3 CCCCCCCCCCCBr CS-0085449 [2,0,0,0,0,0|1,0,0]=3 70 B11R0.3 CCCCCCCCCCCC CS-0152244 [2,0,0,0,0,0|0,0,1]=3 71 B11R0.3 CCCCCCCCCCCO CS-W004292 [2,0,0,0,0,0|0,0,0]=2 72 B11R0.3 ClCCCCCCCCCCCl CS-0100393 [2,0,0,0,0,0|2,0,0]=4 73 B11R0.3 NCCCCCCCCCCN CS-W017587 [2,0,0,0,0,0|2,0,0]=4 74 B11R0.3 NCCCCCCCCCCO CS-W017545 [2,0,0,0,0,0|1,0,0]=3 75 B11R0.3 OCCCCCCCCCCBr CS-W008264 [2,0,0,0,0,0|1,0,0]=3 76 B11R0.3 OCCCCCCCCCCCl CS-0158370 [2,0,0,0,0,0|1,0,0]=3 77 B11R0.3 OCCCCCCCCCCO CS-W017489 [2,0,0,0,0,0|1,0,0]=3 78 B11R0.148 C#CCCCCCCCC(=O)O CS-0143674 [2,0,0,0,0,0|0,0,2]=4 79 B11R0.148 CCCCCCCCCC(=O)O CS-W016025 [2,0,0,0,0,0|0,0,0]=2 80 B11R0.148 CCCCCCCCCC(C)=O CS-W017685 [2,0,0,0,0,0|1,0,0]=3 81 B11R0.148 CCCCCCCCOC(C)=O CS-0008806 [2,0,0,0,0,0|2,0,0]=4 82 B11R0.148 CCCCCCC\C=C\C(=O)O CS-0534 [2,0,0,0,0,0|0,0,2]=4 83 B11R0.148 NCCCCCCCCC(=O)O CS-0158369 [2,0,0,0,0,0|1,0,0]=3 84 B11R0.148 O=C(O)CCCCCCCCBr CS-W007587 [2,0,0,0,0,0|1,0,0]=3 85 B11R0.148 O=C(O)CCCCCCCCO CS-W010763 [2,0,0,0,0,0|1,0,0]=3 86 B13R0.336 BrCCCCCCCCCCCCBr CS-W009861 [1,1,0,0,0,0|1,0,1]=4 87 B13R0.336 C=CCCCCCCCCCCCBr CS-0199727 [1,1,0,0,0,0|1,0,0]=3 88 B13R0.336 CCCCCCCCCCCCCBr CS-0168435 [1,1,0,0,0,0|1,0,1]=4 89 B13R0.336 CCCCCCCCCCCCCC CS-0146758 [1,1,0,0,0,0|1,0,1]=4 90 B13R0.336 CCCCCCCCCCCCCO CS-W004293 [1,1,0,0,0,0|0,0,1]=3 91 B13R0.336 CCCCCCCCCCCCNC CS-0152183 [1,1,0,0,0,0|1,0,1]=4 92 B13R0.336 CCCCCCCCCCCCSC CS-0316057 [1,1,0,0,0,0|0,1,1]=4 93 B13R0.336 NCCCCCCCCCCCCN CS-W015599 [1,1,0,0,0,0|1,0,1]=4 94 B13R0.336 NCCCCCCCCCCCCO CS-W004299 [1,1,0,0,0,0|0,0,1]=3 95 B13R0.336 OCCCCCCCCCCCCBr CS-0158375 [1,1,0,0,0,0|0,0,1]=3 96 B13R0.336 OCCCCCOCCCCCCCl CS-0062997 [1,1,0,0,0,0|1,0,1]=4 97 B13R0.88 CCOC(=O)CCCCCCC(=O)O CS-0446113 [1,1,0,0,0,0|1,0,1]=4 98 B13R0.154 CCCCCCCC(=O)NCC(=O)O CS-0152288 [1,1,0,0,0,0|1,0,1]=4 99 B13R0.179 O=C(O)CCCCCCCCC(=O)O CS-W012874 [1,1,0,0,0,0|1,0,1]=4 100 B13R0.179 O=C(O)CCCCCCCCC(=O)O CS-W015503 [1,1,0,0,0,0|1,0,1]=4 101 B13R0.202 COC(=O)CCCCCCCC(=O)O CS-0150694 [1,1,0,0,0,0|1,0,1]=4 102 B15R0.247 COC(=O)CCCCCCCCCC(=O)O CS-0150693 [0,2,0,0,0,0|0,0,1]=3 103 B15R0.252 CCCCCCCCCCCCP(=O)(O)O CS-0152175 [0,2,0,0,0,0|1,0,0]=3 104 B15R0.172 COC(=O)CCCCCCCCC(=O)OC CS-W014182 [0,2,0,0,0,0|1,0,1]=4 105 B15R0.81 CCCCCCCCCCCCC(=O)OC CS-W004287 [0,2,0,0,0,0|0,0,0]=2 106 B15R0.81 COC(=O)CCCCCCCCCCCBr CS-0129051 [0,2,0,0,0,0|0,0,0]=2 107 B15R0.81 COC(=O)CCCCCCCCCCCN CS-0129041 [0,2,0,0,0,0|0,0,0]=2 108 B15R0.366 CCCCCCCCCCCC(=O)OCC CS-W010400 [0,2,0,0,0,0|0,0,0]=2 109 B15R0.366 CCOC(=O)CCCCCCCCCCBr CS-W014552 [0,2,0,0,0,0|1,0,0]=3 110 B15R0.164 C#CCCCCCCCCCCCC(=O)O CS-0115159 [0,2,0,0,0,0|0,0,0]=2 111 B15R0.164 CCCCCCCCCCCCCC(=O)O CS-0018531 [0,2,0,0,0,0|0,0,0]=2 112 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CS-0198234 [0,2,0,0,0,0|0,0,1]=3 113 B15R0.164 CCCCCCCCCCCCCC(C)=O CS-0187603 [0,2,0,0,0,0|1,0,0]=3 114 B15R0.164 CCCCCCCCCCCCCC(N)=O CS-0152225 [0,2,0,0,0,0|1,0,0]=3 115 B15R0.164 COCCOCCOCCOCCC(=O)O CS-0062370 [0,2,0,0,0,0|2,0,0]=4 116 B15R0.164 O=C(O)CCCCCCCCCCCCBr CS-0254699 [0,2,0,0,0,0|0,0,0]=2 117 B15R0.164 O=C(O)CCCCCCCCCCCCO CS-0523206 [0,2,0,0,0,0|0,0,0]=2 118 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O CS-W012957 [0,2,0,0,0,0|0,0,1]=3 119 B13R1.279 NC1CCCCCCCCCCC1 CS-0074513 [1,0,0,1,0,0|1,0,1]=4 120 B13R1.279 O=C1CCCCCCCCCCC1 CS-W017092 [1,0,0,1,0,0|0,0,0]=2 121 B13R1.659 CCCCCCCCCCC1CO1 CS-0152245 [1,0,0,1,0,0|0,0,1]=3 122 B13R1.27 CCCCCCCC1CCC(=O)O1 CS-W016994 [1,0,0,1,0,0|0,0,0]=2