0 B14R0.392 C=CCCCCCCCCCCCCC CS-0186359 [0,0,0,0,0,0|1,0,1]=2 1 B14R0.392 CCCCCCCCCCCCCCBr CS-W012307 [0,0,0,0,0,0|1,0,0]=1 2 B14R0.392 CCCCCCCCCCCCCCC CS-0138815 [0,0,0,0,0,0|1,0,0]=1 3 B14R0.392 CCCCCCCCCCCCCCCl CS-W009494 [0,0,0,0,0,0|1,0,0]=1 4 B14R0.392 CCCCCCCCCCCCCCO CS-W004294 [0,0,0,0,0,0|0,0,0]=0 5 B14R0.392 CCCCCCCCCCCCN=[N+]=[N-] CS-0647251 [0,0,0,0,0,0|3,0,0]=3 6 B14R0.392 CCCCOCCOCCOCCCC CS-0015113 [0,0,0,0,0,0|4,0,0]=4 7 B14R0.392 CCOCCOCCOCCOCCO CS-0147726 [0,0,0,0,0,0|4,0,0]=4 8 B14R0.392 NCCCCCCNCCCCCCN CS-0328733 [0,0,0,0,0,0|3,0,0]=3 9 B14R0.392 OCCCCCCCCCCCCCBr CS-0082398 [0,0,0,0,0,0|1,0,0]=1 10 B14R0.392 OCCCCCCCCCCCCCO CS-0158374 [0,0,0,0,0,0|1,0,0]=1 11 B13R0.336 BrCCCCCCCCCCCCBr CS-W009861 [1,0,0,0,0,0|2,0,0]=3 12 B13R0.336 C=CCCCCCCCCCCCBr CS-0199727 [1,0,0,0,0,0|1,0,2]=4 13 B13R0.336 CCCCCCCCCCCCCBr CS-0168435 [1,0,0,0,0,0|1,0,0]=2 14 B13R0.336 CCCCCCCCCCCCCC CS-0146758 [1,0,0,0,0,0|0,0,0]=1 15 B13R0.336 CCCCCCCCCCCCCO CS-W004293 [1,0,0,0,0,0|0,0,0]=1 16 B13R0.336 CCCCCCCCCCCCNC CS-0152183 [1,0,0,0,0,0|1,0,0]=2 17 B13R0.336 CCCCCCCCCCCCSC CS-0316057 [1,0,0,0,0,0|1,0,0]=2 18 B13R0.336 CCCCOCCOCCOCCO CS-0196787 [1,0,0,0,0,0|3,0,0]=4 19 B13R0.336 NCCCCCCCCCCCCN CS-W015599 [1,0,0,0,0,0|2,0,0]=3 20 B13R0.336 NCCCCCCCCCCCCO CS-W004299 [1,0,0,0,0,0|1,0,0]=2 21 B13R0.336 OCCCCCCCCCCCCBr CS-0158375 [1,0,0,0,0,0|1,0,0]=2 22 B13R0.336 OCCCCCOCCCCCCCl CS-0062997 [1,0,0,0,0,0|2,0,0]=3 23 B13R0.336 OCCOCCOCCCCCCCl CS-0062725 [1,0,0,0,0,0|3,0,0]=4 24 B15R0.70 BrCCCCCCCCCCCCCCBr CS-0162836 [0,1,0,0,0,0|1,0,0]=2 25 B15R0.70 C=CCCCCCCCCCCCCCBr CS-0199725 [0,1,0,0,0,0|1,0,1]=3 26 B15R0.70 C=CCCCCCCCCCCCCCC CS-0158002 [0,1,0,0,0,0|1,0,0]=2 27 B15R0.70 CCCCCCCCCCCCCCCC CS-0152222 [0,1,0,0,0,0|1,0,0]=2 28 B15R0.70 CCCCCCCCCCCCCCCO CS-W004295 [0,1,0,0,0,0|0,0,0]=1 29 B15R0.70 CCCCCCCCNCCCCCCC CS-0147099 [0,1,0,0,0,0|1,0,0]=2 30 B15R0.70 OCCCCCCCCCCCCCCBr CS-0082396 [0,1,0,0,0,0|0,0,0]=1 31 B15R0.70 OCCCCCCCCCCCCCCO CS-W006457 [0,1,0,0,0,0|0,0,0]=1 32 B15R0.81 CCCCCCCCCCCCC(=O)OC CS-W004287 [0,1,0,0,0,0|2,0,1]=4 33 B15R0.81 COC(=O)CCCCCCCCCCCBr CS-0129051 [0,1,0,0,0,0|2,0,1]=4 34 B15R0.81 COC(=O)CCCCCCCCCCCN CS-0129041 [0,1,0,0,0,0|2,0,1]=4 35 B15R0.133 CCCCCCCC(=O)CCCCCCC CS-0182624 [0,1,0,0,0,0|1,0,1]=3 36 B15R0.133 CCCCCCCC(O)CCCCCCC CS-0362570 [0,1,0,0,0,0|1,0,0]=2 37 B15R0.149 CCCCCCCCC(O)CCCCCC CS-0652033 [0,1,0,0,0,0|1,0,0]=2 38 B15R0.164 C#CCCCCCCCCCCCC(=O)O CS-0115159 [0,1,0,0,0,0|0,0,3]=4 39 B15R0.164 CCCCCCCCCCCCCC(=O)O CS-0018531 [0,1,0,0,0,0|0,0,1]=2 40 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CS-0198234 [0,1,0,0,0,0|0,0,2]=3 41 B15R0.164 CCCCCCCCCCCCCC(C)=O CS-0187603 [0,1,0,0,0,0|0,0,2]=3 42 B15R0.164 CCCCCCCCCCCCCC(N)=O CS-0152225 [0,1,0,0,0,0|0,0,2]=3 43 B15R0.164 O=C(O)CCCCCCCCCCCCBr CS-0254699 [0,1,0,0,0,0|1,0,1]=3 44 B15R0.164 O=C(O)CCCCCCCCCCCCO CS-0523206 [0,1,0,0,0,0|1,0,1]=3 45 B15R0.366 CCCCCCCCCCCC(=O)OCC CS-W010400 [0,1,0,0,0,0|2,0,1]=4 46 B15R0.366 CCOC(=O)CCCCCCCCCCBr CS-W014552 [0,1,0,0,0,0|2,0,1]=4 47 B15R1.2988 C1CCCCCCCCCCCCCC1 CS-0320535 [0,0,0,1,0,0|1,0,0]=2 48 B12R0.5 BrCCCCCCCCCCCBr CS-0158384 [2,0,0,0,0,0|2,0,0]=4 49 B12R0.5 C#CCCCCCCCCCCO CS-W007273 [2,0,0,0,0,0|0,0,2]=4 50 B12R0.5 C=CCCCCCCCCCCC CS-0186370 [2,0,0,0,0,0|0,0,2]=4 51 B12R0.5 CCCCCCCCCCCCC CS-0128437 [2,0,0,0,0,0|0,0,0]=2 52 B12R0.5 CCCCCCCCCCCCCl CS-W013184 [2,0,0,0,0,0|1,0,0]=3 53 B12R0.5 CCCCCCCCCCCCI CS-0197229 [2,0,0,0,0,0|1,0,0]=3 54 B12R0.5 CCCCCCCCCCCCN CS-0013582 [2,0,0,0,0,0|1,0,0]=3 55 B12R0.5 CCCCCCCCCCCCN CS-0152187 [2,0,0,0,0,0|1,0,0]=3 56 B12R0.5 CCCCCCCCCCCCO CS-D1360 [2,0,0,0,0,0|0,0,0]=2 57 B12R0.5 CCCCCCNCCCCCC CS-W016942 [2,0,0,0,0,0|1,0,0]=3 58 B12R0.5 CCCCCCOCCOCCO CS-0198134 [2,0,0,0,0,0|2,0,0]=4 59 B12R0.5 CCOCCCCCCCCCO CS-B0285 [2,0,0,0,0,0|1,0,0]=3 60 B12R0.5 OCCCCCCCCCCCBr CS-W014623 [2,0,0,0,0,0|1,0,0]=3 61 B12R0.5 OCCCCCCCCCCCO CS-W005218 [2,0,0,0,0,0|1,0,0]=3 62 B14R0.337 CCCCCCCCCCCC(=O)NC CS-0207165 [1,1,0,0,0,0|1,0,1]=4 63 B14R0.337 CCCCCCCCCCCC(=O)OC CS-W004286 [1,1,0,0,0,0|1,0,1]=4 64 B14R0.393 CCCCCCCCCCC(=O)OCC CS-W014923 [1,1,0,0,0,0|1,0,1]=4 65 B14R0.394 CCCCCCCCCCCCB(O)O CS-0175075 [1,1,0,0,0,0|1,0,0]=3 66 B14R0.394 CCCCCCCCCCCCC(=O)O CS-D1510 [1,1,0,0,0,0|0,0,1]=3 67 B14R0.394 CCCCCCCCCCCCC(C)=O CS-0149221 [1,1,0,0,0,0|0,0,1]=3 68 B14R0.394 CCCCCCCCCCCCS(C)=O CS-W010351 [1,1,0,0,0,0|1,0,0]=3 69 B14R0.394 O=C(O)CCCCCCCCCCCBr CS-0158383 [1,1,0,0,0,0|1,0,1]=4 70 B16R0.61 CCCCCCCCCCCCC(=O)OCC CS-0185671 [0,2,0,0,0,0|1,0,1]=4 71 B16R0.136 CCCCCCCCC(O)CCCCCCC CS-0754535 [0,2,0,0,0,0|1,0,0]=3 72 B16R0.221 CCCCCCCCCCCCCC(=O)OC CS-W004288 [0,2,0,0,0,0|0,0,1]=3 73 B16R0.221 CCCCCCCCCCCCCC(=O)O[K] CS-0198057 [0,2,0,0,0,0|0,0,1]=3 74 B16R0.221 CCCCCCCCCCCCCC(=O)O[Na] CS-0185812 [0,2,0,0,0,0|0,0,1]=3 75 B16R0.221 CCCCCCCCCCCCCC(O)CC CS-0068715 [0,2,0,0,0,0|0,0,0]=2 76 B16R0.274 CCCCCCCCCCCCCCC(=O)O CS-W004283 [0,2,0,0,0,0|0,0,0]=2 77 B16R0.274 CCCCCCCCCCNCCCC(=O)O CS-0221806 [0,2,0,0,0,0|0,0,1]=3 78 B16R0.274 O=C(O)CCCCCCCCCCCCCBr CS-0091052 [0,2,0,0,0,0|0,0,1]=3 79 B16R0.274 O=C(O)CCCCCCCCCCCCCO CS-0161824 [0,2,0,0,0,0|0,0,1]=3 80 B16R0.303 CCCCCCCCCCCCCCCC=O CS-W004305 [0,2,0,0,0,0|0,0,1]=3 81 B16R0.303 CCCCCCCCCCCCCCCCBr CS-W009341 [0,2,0,0,0,0|1,0,0]=3 82 B16R0.303 CCCCCCCCCCCCCCCCCl CS-W012500 [0,2,0,0,0,0|1,0,0]=3 83 B16R0.303 CCCCCCCCCCCCCCCCI CS-0179397 [0,2,0,0,0,0|1,0,0]=3 84 B16R0.303 CCCCCCCCCCCCCCCCO CS-D1348 [0,2,0,0,0,0|0,0,0]=2 85 B16R0.303 CCCCCCCCNCCCCCCCC CS-0020010 [0,2,0,0,0,0|1,0,0]=3 86 B16R0.303 CCCCCCCCOCCCCCCCC CS-0188392 [0,2,0,0,0,0|1,0,0]=3 87 B16R0.303 CCCC\C=C/CCCCCCCCCC=O CS-0185735 [0,2,0,0,0,0|0,0,2]=4 88 B16R0.303 CCCC\C=C\CCCCCCCCCCO CS-0152446 [0,2,0,0,0,0|0,0,0]=2 89 B16R0.303 OCCCCCCCCCCCCCCCBr CS-0170814 [0,2,0,0,0,0|0,0,0]=2 90 B16R0.303 OCCCCCCCCCCCCCCCO CS-0110356 [0,2,0,0,0,0|0,0,0]=2 91 B16R0.661 CCCCCCCCCCCC(=O)NCCO CS-W022897 [0,2,0,0,0,0|0,0,1]=3 92 B16R0.661 CCCCCCCCCCCC(=O)OCCC CS-W002270 [0,2,0,0,0,0|1,0,1]=4 93 B16R0.6603 CCCCCCCCCC(=O)CCCCCC CS-0147096 [0,2,0,0,0,0|1,0,0]=3 94 B16R0.1714 CCCCCCCC[N+](C)(C)CCCCCC CS-0185849 [0,2,0,0,0,0|2,0,0]=4 95 B16R0.6401 CCCCCCCCC(CBr)CCCCCC CS-0138077 [0,2,0,0,0,0|1,0,0]=3 96 B16R0.6401 CCCCCCCCC(CN)CCCCCC CS-0161408 [0,2,0,0,0,0|1,0,0]=3 97 B16R0.6401 CCCCCCCCC(CO)CCCCCC CS-W012764 [0,2,0,0,0,0|1,0,0]=3 98 B16R0.302 CCCCCCCCCCCC(O)CC(=O)O CS-W010260 [0,2,0,0,0,0|0,0,1]=3 99 B16R0.302 CCCCCCCCCCC[C@@H](O)CC(=O)O CS-0333355 [0,2,0,0,0,0|0,0,1]=3 100 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O CS-0152176 [0,2,0,0,0,0|2,0,0]=4 101 B14R1.123 ClCCCCCCOC1CCCCO1 CS-0539229 [1,0,0,1,0,0|2,0,0]=4 102 B16R1.17455 CCCCCCCCCCCCCC1CO1 CS-0504481 [0,1,0,1,0,0|0,0,0]=2