0 B13R0.54 C=CCCCCCCCCCC(=O)O CS-0361307 [0,0,0,0,0,0|2,0,2]=4 1 B13R0.54 CCCCCCCCCCCC(=O)O CS-0015078 [0,0,0,0,0,0|2,0,0]=2 2 B13R0.54 CCCCCCCCCCCC(=O)[O-] CS-0198226 [0,0,0,0,0,0|2,0,0]=2 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|2,0,0]=2 5 B13R0.54 CCCCCCCCCCNC(C)=O CS-0901356 [0,0,0,0,0,0|1,0,0]=1 6 B13R0.54 CCCCCCCCC\C=C\C(=O)O CS-0152270 [0,0,0,0,0,0|2,0,1]=3 7 B13R0.54 CCCCCC\C=C/CCCC(=O)O CS-0144620 [0,0,0,0,0,0|2,0,2]=4 8 B13R0.54 NCCCCCCCCCCC(=O)O CS-W015547 [0,0,0,0,0,0|3,0,0]=3 9 B13R0.54 O=C(O)CCCCCCCCCCS CS-W014785 [0,0,0,0,0,0|3,0,0]=3 10 B12R0.5 C=CCCCCCCCCCCBr CS-W005954 [1,0,0,0,0,0|2,0,1]=4 11 B12R0.5 C=CCCCCCCCCCCC CS-0186370 [1,0,0,0,0,0|1,0,1]=3 12 B12R0.5 CCCCCCCCCCCCC CS-0128437 [1,0,0,0,0,0|1,0,1]=3 13 B12R0.5 CCCCCCCCCCCCCl CS-W013184 [1,0,0,0,0,0|2,0,1]=4 14 B12R0.5 CCCCCCCCCCCCI CS-0197229 [1,0,0,0,0,0|2,0,1]=4 15 B12R0.5 CCCCCCCCCCCCN CS-0013582 [1,0,0,0,0,0|2,0,1]=4 16 B12R0.5 CCCCCCCCCCCCN CS-0152187 [1,0,0,0,0,0|2,0,1]=4 17 B12R0.5 CCCCCCCCCCCCO CS-D1360 [1,0,0,0,0,0|1,0,2]=4 18 B12R0.5 CCCCCCNCCCCCC CS-W016942 [1,0,0,0,0,0|2,0,1]=4 19 B12R0.5 CCOCCCCCCCCCO CS-B0285 [1,0,0,0,0,0|1,0,1]=3 20 B12R0.234 C#CCCCCCCCCC(=O)O CS-0160163 [1,0,0,0,0,0|1,0,2]=4 21 B12R0.234 C=CCCCCCCCCC(=O)O CS-4383 [1,0,0,0,0,0|1,0,2]=4 22 B12R0.234 CCCCCCCCCCC(=O)O CS-W004282 [1,0,0,0,0,0|1,0,0]=2 23 B12R0.234 CCCCCCCCOCC(=O)O CS-0147297 [1,0,0,0,0,0|2,0,0]=3 24 B12R0.234 NCCCCCCCCCC(=O)O CS-0158386 [1,0,0,0,0,0|2,0,0]=3 25 B12R0.234 O=C(O)CCCCCCCCCBr CS-W014097 [1,0,0,0,0,0|2,0,0]=3 26 B12R0.234 O=C(O)CCCCCCCCCO CS-D1134 [1,0,0,0,0,0|2,0,0]=3 27 B14R0.337 C=CC(=O)OCCCCCCCCCC CS-0320686 [0,1,0,0,0,0|0,0,1]=2 28 B14R0.337 CCCCCCCCCCCC(=O)NC CS-0207165 [0,1,0,0,0,0|1,0,0]=2 29 B14R0.337 CCCCCCCCCCCC(=O)NN CS-0315851 [0,1,0,0,0,0|2,0,0]=3 30 B14R0.337 CCCCCCCCCCCC(=O)OC CS-W004286 [0,1,0,0,0,0|1,0,0]=2 31 B14R0.337 CCCCCCCCCCCC(=O)O[K] CS-0198015 [0,1,0,0,0,0|2,0,0]=3 32 B14R0.337 COC(=O)CCCCCCCCCCBr CS-0109940 [0,1,0,0,0,0|2,0,0]=3 33 B14R0.337 COC(=O)CCCCCCCCCCN CS-0129049 [0,1,0,0,0,0|2,0,0]=3 34 B14R0.340 CCCCCCCCCCC(N)C(=O)O CS-0152253 [0,1,0,0,0,0|2,0,0]=3 35 B14R0.394 C=CCCCCCCCCCCC(=O)O CS-0644145 [0,1,0,0,0,0|2,0,1]=4 36 B14R0.394 CCCCCCCCCCCCC(=O)O CS-D1510 [0,1,0,0,0,0|2,0,0]=3 37 B14R0.394 CCCCCCCCCCCCC(C)=O CS-0149221 [0,1,0,0,0,0|1,0,0]=2 38 B14R0.394 CCCCCCCCCCCCS(C)=O CS-W010351 [0,1,0,0,0,0|2,0,0]=3 39 B14R0.394 O=C(O)CCCCCCCCCCCBr CS-0158383 [0,1,0,0,0,0|2,0,0]=3 40 B14R1.26 CCCCCCCC1CCCC(=O)O1 CS-W010531 [0,0,0,1,0,0|2,0,0]=3 41 B14R1.122 CCCCCCCCC1CCC(=O)O1 CS-0320646 [0,0,0,1,0,0|2,0,0]=3 42 B14R1.4408 O=C1CCCCCCCCCCCN1 CS-0313348 [0,0,0,1,0,0|1,0,0]=2 43 B11R0.3 C=CCCCCCCCCC=O CS-W020162 [2,0,0,0,0,0|0,0,2]=4 44 B11R0.3 C=CCCCCCCCCCBr CS-W020160 [2,0,0,0,0,0|1,0,1]=4 45 B11R0.3 C=CCCCCCCCCCCl CS-0068727 [2,0,0,0,0,0|1,0,1]=4 46 B11R0.3 C=CCCCCCCCCCN CS-0068719 [2,0,0,0,0,0|1,0,1]=4 47 B11R0.3 C=CCCCCCCCCCO CS-W004298 [2,0,0,0,0,0|1,0,1]=4 48 B11R0.3 CCCCCCCCCCCBr CS-0085449 [2,0,0,0,0,0|1,0,1]=4 49 B11R0.3 CCCCCCCCCCCC CS-0152244 [2,0,0,0,0,0|0,0,1]=3 50 B11R0.3 CCCCCCCCCCCO CS-W004292 [2,0,0,0,0,0|0,0,2]=4 51 B11R0.148 CCCCCCCCCC(=O)O CS-W016025 [2,0,0,0,0,0|1,0,0]=3 52 B11R0.148 CCCCCCCCCC(C)=O CS-W017685 [2,0,0,0,0,0|0,0,0]=2 53 B11R0.148 CCCCCCCCOC(C)=O CS-0008806 [2,0,0,0,0,0|0,0,0]=2 54 B11R0.148 CCOCCOCCOC(C)=O CS-0132448 [2,0,0,0,0,0|2,0,0]=4 55 B11R0.148 NCCCCCCCCC(=O)O CS-0158369 [2,0,0,0,0,0|2,0,0]=4 56 B11R0.148 O=C(O)CCCCCCCCBr CS-W007587 [2,0,0,0,0,0|2,0,0]=4 57 B11R0.148 O=C(O)CCCCCCCCO CS-W010763 [2,0,0,0,0,0|2,0,0]=4 58 B13R0.2 CCCCCCCCCC(=O)OCC CS-W015600 [1,1,0,0,0,0|0,0,2]=4 59 B13R0.147 CCCCCCCCCCC(=O)OC CS-W004285 [1,1,0,0,0,0|2,0,0]=4 60 B13R0.336 C=CCCCCCCCCCCCBr CS-0199727 [1,1,0,0,0,0|1,0,1]=4 61 B13R0.336 CCCCCCCCCCCCCBr CS-0168435 [1,1,0,0,0,0|1,0,1]=4 62 B13R0.336 CCCCCCCCCCCCCC CS-0146758 [1,1,0,0,0,0|1,0,1]=4 63 B13R0.336 CCCCCCCCCCCCCO CS-W004293 [1,1,0,0,0,0|1,0,1]=4 64 B13R0.336 CCCCCCCCCCCCNC CS-0152183 [1,1,0,0,0,0|1,0,1]=4 65 B13R0.336 CCCCCCCCCCCCSC CS-0316057 [1,1,0,0,0,0|1,0,1]=4 66 B13R0.280 CCCCCCCCCC[N+](C)(C)C CS-W009346 [1,1,0,0,0,0|2,0,0]=4 67 B13R0.280 CCCCCCCCCC[Si](C)(C)Cl CS-0199116 [1,1,0,0,0,0|1,1,0]=4 68 B13R0.280 CCCCCCCCCC[Si](C)(Cl)Cl CS-0213599 [1,1,0,0,0,0|1,1,0]=4 69 B15R0.81 CCCCCCCCCCCCC(=O)OC CS-W004287 [0,2,0,0,0,0|1,0,0]=3 70 B15R0.81 COC(=O)CCCCCCCCCCCBr CS-0129051 [0,2,0,0,0,0|1,0,0]=3 71 B15R0.81 COC(=O)CCCCCCCCCCCN CS-0129041 [0,2,0,0,0,0|1,0,0]=3 72 B15R0.366 CCCCCCCCCCCC(=O)OCC CS-W010400 [0,2,0,0,0,0|1,0,0]=3 73 B15R0.366 CCOC(=O)CCCCCCCCCCBr CS-W014552 [0,2,0,0,0,0|2,0,0]=4 74 B15R0.164 C#CCCCCCCCCCCCC(=O)O CS-0115159 [0,2,0,0,0,0|2,0,0]=4 75 B15R0.164 CCCCCCCCCCCCCC(=O)O CS-0018531 [0,2,0,0,0,0|2,0,0]=4 76 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CS-0198234 [0,2,0,0,0,0|2,0,0]=4 77 B15R0.164 CCCCCCCCCCCCCC(C)=O CS-0187603 [0,2,0,0,0,0|1,0,0]=3 78 B15R0.164 CCCCCCCCCCCCCC(N)=O CS-0152225 [0,2,0,0,0,0|2,0,0]=4 79 B15R0.164 O=C(O)CCCCCCCCCCCCBr CS-0254699 [0,2,0,0,0,0|2,0,0]=4 80 B15R0.164 O=C(O)CCCCCCCCCCCCO CS-0523206 [0,2,0,0,0,0|2,0,0]=4 81 B13R1.279 O=C1CCCCCCCCCCC1 CS-W017092 [1,0,0,1,0,0|1,0,0]=3 82 B13R1.659 CCCCCCCCCCC1CO1 CS-0152245 [1,0,0,1,0,0|2,0,0]=4 83 B13R1.27 CCCCCCCC1CCC(=O)O1 CS-W016994 [1,0,0,1,0,0|1,0,0]=3