0 B11R0.4 CCOC(=O)CCCCCCBr 093462 [0,0,0,0,0,0|1,0,0]=1 1 B11R0.4 CC\C=C/CCOC(=O)CCC 241117 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.1 CCCCCCC(=O)CCC 240668 [1,0,0,0,0,0|1,0,0]=2 3 B10R0.1 CCOC(=O)CCCCCBr 239007 [1,0,0,0,0,0|1,0,0]=2 4 B10R0.1 CCOC(=O)CCCN=C=S 008965 [1,0,0,0,0,0|2,0,1]=4 5 B10R0.71 CCCCCCCC#CCO 009119 [1,0,0,0,0,0|2,0,1]=4 6 B10R0.71 CCCCCCCCCCBr 099716 [1,0,0,0,0,0|2,0,1]=4 7 B10R0.71 CCCCCCCCCCF 004615 [1,0,0,0,0,0|2,0,1]=4 8 B10R0.71 CCCCCCCCCCI 148000 [1,0,0,0,0,0|2,0,1]=4 9 B10R0.71 CCCCCCCCCCN 240983 [1,0,0,0,0,0|2,0,1]=4 10 B10R0.71 CCCCCCCCCCO 043323 [1,0,0,0,0,0|2,0,1]=4 11 B10R0.71 CCCCCCCCCCS 098561 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.71 CCCCCCCCCSC 099662 [1,0,0,0,0,0|2,0,1]=4 13 B10R0.71 CCCCCCCCOC=O 102669 [1,0,0,0,0,0|1,0,2]=4 14 B10R0.71 CCCCCCC\C=C\C=O 319883 [1,0,0,0,0,0|2,0,1]=4 15 B10R0.71 CCCCCCNCCCC 105063 [1,0,0,0,0,0|2,0,1]=4 16 B10R0.71 CCCCCNCCCCC 098918 [1,0,0,0,0,0|2,0,1]=4 17 B10R0.71 CCOCCNCCOCC 099253 [1,0,0,0,0,0|2,0,1]=4 18 B10R0.74 CCCCCC#CC(=O)OC 240942 [1,0,0,0,0,0|0,0,2]=3 19 B10R0.74 CCCCCCCC(=O)OC 242814 [1,0,0,0,0,0|0,0,0]=1 20 B10R0.74 CC\C=C/CCOC(=O)CC 241119 [1,0,0,0,0,0|1,0,2]=4 21 B10R0.74 CC\C=C/CCOC(=O)OC 106717 [1,0,0,0,0,0|1,0,2]=4 22 B10R0.74 COC(=O)CCCCCCBr 077282 [1,0,0,0,0,0|1,0,0]=2 23 B12R0.1 CCCCCCCCC(=O)OCC 240753 [0,1,0,0,0,0|0,0,0]=1 24 B12R0.1 CCOC(=O)CCCCCCCBr 043688 [0,1,0,0,0,0|0,0,0]=1 25 B12R0.101 CCCCC(=O)CCC(=O)OCC 207860 [0,1,0,0,0,0|0,0,1]=2 26 B12R0.277 CCOC(=O)CCCCCC(=O)O 024652 [0,1,0,0,0,0|1,0,1]=3 27 B12R0.285 CCOC(=O)CCCC(=O)OCC 239671 [0,1,0,0,0,0|1,0,1]=3 28 B12R0.285 CCOC(=O)CSCC(=O)OCC 049527 [0,1,0,0,0,0|2,0,1]=4 29 B12R1.28 CCCCCC1CCCC(=O)O1 235502 [0,0,0,1,0,0|2,0,0]=3 30 B12R1.32 CCOC(=O)CC1CCCNC1 018134 [0,0,0,1,0,0|1,0,0]=2 31 B12R1.32 CCOC(=O)CC1CCNCC1 018135 [0,0,0,1,0,0|1,0,0]=2 32 B12R1.32 CCOC(=O)CN1CCNCC1 020100 [0,0,0,1,0,0|2,0,0]=3 33 B12R1.308 CCOC(=O)C1CCCCC1=O 078515 [0,0,0,1,0,0|1,0,1]=3 34 B12R1.308 CCOC(=O)C1CCCCN1C 091878 [0,0,0,1,0,0|1,0,0]=2 35 B12R1.308 CCOC(=O)C1CCCNC1=O 079764 [0,0,0,1,0,0|2,0,1]=4 36 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O 050038 [0,0,0,1,0,0|1,0,0]=2 37 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1N 103932 [0,0,0,1,0,0|1,0,0]=2 38 B12R1.318 CCOC(=O)CC1CCCC1=O 092174 [0,0,0,1,0,0|1,0,1]=3 39 B12R1.372 CCCCCCN1CCCC1=O 040278 [0,0,0,1,0,0|2,0,0]=3 40 B9R0.5 C=CCCCC(=O)OCC 200032 [2,0,0,0,0,0|0,0,2]=4 41 B9R0.5 CCCCCC(=O)OCC 103045 [2,0,0,0,0,0|0,0,0]=2 42 B9R0.5 CCOC(=O)CCCCBr 078683 [2,0,0,0,0,0|1,0,0]=3 43 B9R0.5 CCOC(=O)CCCCI 103069 [2,0,0,0,0,0|1,0,0]=3 44 B9R0.5 CCOC(=O)COCCCl 209431 [2,0,0,0,0,0|2,0,0]=4 45 B9R0.45 CCCCCCCCCBr 001132 [2,0,0,0,0,0|1,0,1]=4 46 B9R0.45 CCCCCCCCCC 520891 [2,0,0,0,0,0|0,0,1]=3 47 B9R0.45 CCCCCCCCCI 149300 [2,0,0,0,0,0|1,0,1]=4 48 B9R0.45 CCCCCCCCCN 018926 [2,0,0,0,0,0|1,0,1]=4 49 B9R0.45 CCCCCCCCCO 101572 [2,0,0,0,0,0|1,0,1]=4 50 B9R0.45 CCCCCCCCNC 046353 [2,0,0,0,0,0|1,0,1]=4 51 B9R0.45 CCCCCNCCCC 105047 [2,0,0,0,0,0|1,0,1]=4 52 B9R0.46 CCCCCCC(=O)NN 045793 [2,0,0,0,0,0|2,0,0]=4 53 B9R0.46 COC(=O)CCCCCBr 240729 [2,0,0,0,0,0|1,0,0]=3 54 B9R0.46 COC(=O)CCCCCN 079812 [2,0,0,0,0,0|1,0,0]=3 55 B9R0.2 CC(=O)OCCCCCBr 464202 [2,0,0,0,0,0|2,0,0]=4 56 B9R0.2 CCCCCCCC(=O)Cl 099180 [2,0,0,0,0,0|1,0,0]=3 57 B9R0.2 CCCCCCCC(=O)O 094565 [2,0,0,0,0,0|0,0,0]=2 58 B9R0.2 CCCCCCCC(C)=O 349299 [2,0,0,0,0,0|0,0,0]=2 59 B9R0.2 CCCCCCCC(C)O 321952 [2,0,0,0,0,0|0,0,2]=4 60 B9R0.2 CCCCCCOC(C)=O 102343 [2,0,0,0,0,0|1,0,0]=3 61 B9R0.2 NCCCCCCC(=O)O 078953 [2,0,0,0,0,0|1,0,0]=3 62 B9R0.2 O=C(O)CCCCCCBr 236587 [2,0,0,0,0,0|1,0,0]=3 63 B11R0.2 CC(C)OC(=O)CCCCCBr 102847 [1,1,0,0,0,0|1,0,0]=3 64 B11R0.62 CCOC(=O)CCC(=O)OCC 358205 [1,1,0,0,0,0|1,0,1]=4 65 B11R0.81 C=CCOC(=O)CCCCCC 241116 [1,1,0,0,0,0|0,0,1]=3 66 B11R0.155 CCCCCC(Br)C(=O)OCC 433362 [1,1,0,0,0,0|0,0,0]=2 67 B11R0.155 CC\C=C(/C)C(O)CCCCC 240778 [1,1,0,0,0,0|2,0,0]=4 68 B11R0.176 CCOC(=O)CCCCC(=O)O 013394 [1,1,0,0,0,0|1,0,1]=4 69 B11R0.3 CCCCCCCCCCCC 099221 [1,1,0,0,0,0|1,0,1]=4 70 B11R0.3 CCCCCCCCCCCO 349306 [1,1,0,0,0,0|1,0,1]=4 71 B11R0.3 CCCCCCCCNCCC 105042 [1,1,0,0,0,0|1,0,1]=4 72 B11R0.140 CCCCCC(O)CCCCC 180377 [1,1,0,0,0,0|1,0,1]=4 73 B11R0.106 COC(=O)CCCCC(=O)OC 133200 [1,1,0,0,0,0|1,0,1]=4 74 B13R0.367 CCOC(=O)CCCCC(=O)OCC 239015 [0,2,0,0,0,0|0,0,1]=3 75 B13R0.367 CCOC(=O)CCCCC(Cl)CCCl 078393 [0,2,0,0,0,0|0,0,0]=2 76 B13R0.286 CNCCCCNC(=O)OC(C)(C)C 075516 [0,2,0,0,0,0|2,0,0]=4 77 B13R0.18 CCOC(=O)CC[C@H](N)C(=O)OCC 045346 [0,2,0,0,0,0|1,0,1]=4 78 B13R0.806 CCCCCCC(F)(F)C(=O)OCC 043363 [0,2,0,0,0,0|0,0,0]=2 79 B11R1.16 CCOC(=O)C1CCCCN1 046387 [1,0,0,1,0,0|1,0,0]=3 80 B11R1.16 CCOC(=O)C1CCCCN1 243068 [1,0,0,1,0,0|1,0,0]=3 81 B11R1.16 CCOC(=O)C1CCCNC1 009838 [1,0,0,1,0,0|1,0,0]=3 82 B11R1.16 CCOC(=O)C1CCCNC1 033701 [1,0,0,1,0,0|1,0,0]=3 83 B11R1.16 CCOC(=O)C1CCNCC1 009839 [1,0,0,1,0,0|1,0,0]=3 84 B11R1.16 CCOC(=O)C1CCNCC1 033118 [1,0,0,1,0,0|1,0,0]=3 85 B11R1.16 CCOC(=O)N1CCNCC1 021571 [1,0,0,1,0,0|2,0,0]=4 86 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 050064 [1,0,0,1,0,0|1,0,0]=3 87 B11R1.180 CCCCCC1CCCC1=O 239571 [1,0,0,1,0,0|1,0,0]=3 88 B11R1.199 CCOC(=O)C1CCCC1=O 078870 [1,0,0,1,0,0|1,0,1]=4 89 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O 103578 [1,0,0,1,0,0|1,0,0]=3 90 B11R1.1 CCCCC1CCC(O)CC1 239575 [1,0,0,1,0,0|0,0,2]=4 91 B11R1.25 CNC(=O)CCC1CCCC1 102607 [1,0,0,1,0,0|1,0,0]=3 92 B11R1.27 CCCCCC1CCC(=O)O1 517774 [1,0,0,1,0,0|1,0,0]=3 93 B11R1.40 COC(=O)CC1CCCCC1 239559 [1,0,0,1,0,0|0,0,0]=2 94 B11R1.40 COC(=O)CC1CCNCC1 040200 [1,0,0,1,0,0|1,0,0]=3 95 B11R1.40 COC(=O)CC1CCNCC1 092734 [1,0,0,1,0,0|1,0,0]=3 96 B11R1.40 COC(=O)CN1CCOCC1 317447 [1,0,0,1,0,0|2,0,0]=4 97 B11R1.40 O=C(CCl)NC1CCCCC1 026029 [1,0,0,1,0,0|2,0,0]=4 98 B13R1.190 CCCCCCC1OC(=O)CC1C 238415 [0,1,0,1,0,0|1,0,0]=3 99 B13R1.279 O=C1CCCCCCCCCCC1 099330 [0,1,0,1,0,0|1,0,0]=3 100 B13R1.470 CCOC(=O)CC1CCCCC1=O 448718 [0,1,0,1,0,0|0,0,1]=3 101 B13R1.348 CC(Cl)OC(=O)OC1CCCCC1 210624 [0,1,0,1,0,0|1,0,0]=3 102 B13R1.47 CCOC(=O)C(=O)C1CCCCC1 046251 [0,1,0,1,0,0|0,0,1]=3 103 B13R1.2570 CCOC(=O)CC1(N)CCCCC1 359233 [0,1,0,1,0,0|0,0,0]=2 104 B13R1.465 CCOC(=O)C1CCCCC1(F)F 043257 [0,1,0,1,0,0|1,0,0]=3 105 B13R2.4820 O=C1NCCN2CCCCCC12 026339 [0,0,0,2,0,0|2,0,0]=4