0 B11R0.3 BrCCCCCCCCCCBr 126000 [0,0,0,0,0,0|2,0,1]=3 1 B11R0.3 C#CCCCCCCCCCO 013739 [0,0,0,0,0,0|2,0,1]=3 2 B11R0.3 C=CCCCCCCCCCBr 001789 [0,0,0,0,0,0|2,0,0]=2 3 B11R0.3 C=CCCCCCCCCCC 200052 [0,0,0,0,0,0|1,0,0]=1 4 B11R0.3 C=CCCCCCCCCCCl 005335 [0,0,0,0,0,0|2,0,0]=2 5 B11R0.3 C=CCCCCCCCCCO 075031 [0,0,0,0,0,0|2,0,0]=2 6 B11R0.3 CCCCCCCCCCCC 099221 [0,0,0,0,0,0|1,0,1]=2 7 B11R0.3 CCCCCCCCCCCO 349306 [0,0,0,0,0,0|0,0,2]=2 8 B11R0.3 CCCCCCCCNCCC 105042 [0,0,0,0,0,0|2,0,1]=3 9 B11R0.3 CCCCCCCC\C=C\C=O 104010 [0,0,0,0,0,0|0,0,2]=2 10 B11R0.3 CNCCCCCCCCCO 104744 [0,0,0,0,0,0|1,0,2]=3 11 B11R0.3 C\C=C\CCCCCCCC=O 104614 [0,0,0,0,0,0|0,0,2]=2 12 B11R0.3 ICCCCCCCCCCI 241327 [0,0,0,0,0,0|2,0,1]=3 13 B11R0.3 N#CCCCCCCCCC#N 099701 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.3 NCCCCCCCCCCN 235695 [0,0,0,0,0,0|2,0,1]=3 15 B11R0.3 OCCCCCCCCCCO 221944 [0,0,0,0,0,0|1,0,2]=3 16 B10R0.71 C=CCCCCCCCCBr 003439 [1,0,0,0,0,0|1,0,1]=3 17 B10R0.71 C=CCCCCCCCCI 105744 [1,0,0,0,0,0|1,0,1]=3 18 B10R0.71 C=CCCCCCCCCO 102610 [1,0,0,0,0,0|1,0,1]=3 19 B10R0.71 CCCCC#CCCCCO 009120 [1,0,0,0,0,0|0,0,3]=4 20 B10R0.71 CCCCCCCC#CCO 009119 [1,0,0,0,0,0|0,0,3]=4 21 B10R0.71 CCCCCCCCCC#N 099664 [1,0,0,0,0,0|1,0,1]=3 22 B10R0.71 CCCCCCCCCC=O 223253 [1,0,0,0,0,0|0,0,0]=1 23 B10R0.71 CCCCCCCCCCBr 099716 [1,0,0,0,0,0|1,0,0]=2 24 B10R0.71 CCCCCCCCCCF 004615 [1,0,0,0,0,0|1,0,0]=2 25 B10R0.71 CCCCCCCCCCI 148000 [1,0,0,0,0,0|1,0,0]=2 26 B10R0.71 CCCCCCCCCCN 240983 [1,0,0,0,0,0|1,0,0]=2 27 B10R0.71 CCCCCCCCCCO 043323 [1,0,0,0,0,0|0,0,1]=2 28 B10R0.71 CCCCCCCCCCS 098561 [1,0,0,0,0,0|0,1,0]=2 29 B10R0.71 CCCCCCCCCSC 099662 [1,0,0,0,0,0|1,0,1]=3 30 B10R0.71 CCCCCCCCN=C=O 104259 [1,0,0,0,0,0|1,0,1]=3 31 B10R0.71 CCCCCCCCOC=O 102669 [1,0,0,0,0,0|1,0,0]=2 32 B10R0.71 CCCCCCC\C=C\C=O 319883 [1,0,0,0,0,0|0,0,2]=3 33 B10R0.71 CCCCCCNCCC#N 018707 [1,0,0,0,0,0|2,0,1]=4 34 B10R0.71 CCCCCCNCCCC 105063 [1,0,0,0,0,0|1,0,1]=3 35 B10R0.71 CCCCCCNCCCN 105016 [1,0,0,0,0,0|2,0,0]=3 36 B10R0.71 CCCCCNCCCCC 098918 [1,0,0,0,0,0|1,0,1]=3 37 B10R0.71 CCCCOCCOCCO 448626 [1,0,0,0,0,0|2,0,1]=4 38 B10R0.71 ClCCCCCCCCCCl 210315 [1,0,0,0,0,0|2,0,0]=3 39 B10R0.71 NCCCCCCCCCN 493684 [1,0,0,0,0,0|2,0,0]=3 40 B10R0.71 OCCCCCCCCCBr 040707 [1,0,0,0,0,0|1,0,1]=3 41 B12R0.5 CCCCCCCCCCCC=O 099711 [0,1,0,0,0,0|0,0,0]=1 42 B12R0.5 CCCCCCCCCCCCBr BR1063 [0,1,0,0,0,0|1,0,1]=3 43 B12R0.5 CCCCCCCCCCCCC 242173 [0,1,0,0,0,0|1,0,1]=3 44 B12R0.5 CCCCCCCCCCCCCl 103779 [0,1,0,0,0,0|1,0,1]=3 45 B12R0.5 CCCCCCCCCCCCN 358344 [0,1,0,0,0,0|1,0,1]=3 46 B12R0.5 CCCCCCCCCCCCO 358252 [0,1,0,0,0,0|0,0,2]=3 47 B12R0.5 CCCCCCCCCCCCS 095002 [0,1,0,0,0,0|0,1,1]=3 48 B12R0.5 CCCCCCCCCCN=C=S 008787 [0,1,0,0,0,0|0,1,1]=3 49 B12R0.5 CCCCCCCCC\C=C\C=O 106698 [0,1,0,0,0,0|0,0,1]=2 50 B12R0.5 CCCCCCCCNCCC#N 018928 [0,1,0,0,0,0|1,0,1]=3 51 B12R0.5 CCCCCCCCNCCCC 105074 [0,1,0,0,0,0|1,0,1]=3 52 B12R0.5 CCCCCCCCNCCCN 105080 [0,1,0,0,0,0|1,0,1]=3 53 B12R0.5 CCCCCCNCCCCCC 336045 [0,1,0,0,0,0|1,0,1]=3 54 B12R0.5 CCCCCCOCCOCCO 099210 [0,1,0,0,0,0|1,0,2]=4 55 B12R0.5 OCCCCCCCCCCCBr 216396 [0,1,0,0,0,0|0,0,2]=3 56 B12R0.234 C=CCCCCCCCCC(=O)O 228026 [0,1,0,0,0,0|0,0,2]=3 57 B12R0.234 C=CCCCCCCCCC(=O)O 386316 [0,1,0,0,0,0|0,0,2]=3 58 B12R0.234 CCCCCCCCCCN(C)C 460597 [0,1,0,0,0,0|2,0,0]=3 59 B12R0.234 O=C(O)CCCCCCCCCBr 215643 [0,1,0,0,0,0|1,0,0]=2 60 B12R0.248 CCCCCCCCCC(=O)NC 104822 [0,1,0,0,0,0|2,0,1]=4 61 B12R0.248 CCCCCCCCCC(C)C=O 103624 [0,1,0,0,0,0|0,0,0]=1 62 B12R1.372 CCCCCCN1CCCC1=O 040278 [0,0,0,1,0,0|1,0,0]=2 63 B9R0.45 BrCCCCCCCCBr 212569 [2,0,0,0,0,0|2,0,0]=4 64 B9R0.45 C#CCCCCCCCC 124500 [2,0,0,0,0,0|0,0,2]=4 65 B9R0.45 C=CCCCCCCCBr 080314 [2,0,0,0,0,0|1,0,1]=4 66 B9R0.45 C=CCCCCCCCC 200050 [2,0,0,0,0,0|0,0,1]=3 67 B9R0.45 C=CCCCCCCNC 104201 [2,0,0,0,0,0|1,0,1]=4 68 B9R0.45 CCCCC#CCCCC 124505 [2,0,0,0,0,0|0,0,2]=4 69 B9R0.45 CCCCCCCCC=O 018925 [2,0,0,0,0,0|0,0,0]=2 70 B9R0.45 CCCCCCCCCBr 001132 [2,0,0,0,0,0|1,0,0]=3 71 B9R0.45 CCCCCCCCCC 520891 [2,0,0,0,0,0|0,0,0]=2 72 B9R0.45 CCCCCCCCCI 149300 [2,0,0,0,0,0|1,0,0]=3 73 B9R0.45 CCCCCCCCCN 018926 [2,0,0,0,0,0|1,0,0]=3 74 B9R0.45 CCCCCCCCCO 101572 [2,0,0,0,0,0|0,0,1]=3 75 B9R0.45 CCCCCCCCNC 046353 [2,0,0,0,0,0|1,0,0]=3 76 B9R0.45 CCCCCCCN=C=O 050930 [2,0,0,0,0,0|1,0,1]=4 77 B9R0.45 CCCCCCNCCN 457429 [2,0,0,0,0,0|2,0,0]=4 78 B9R0.45 CCCCCC\C=C\C=O 106390 [2,0,0,0,0,0|0,0,2]=4 79 B9R0.45 CCCCCNCCCC 105047 [2,0,0,0,0,0|1,0,0]=3 80 B9R0.45 CCCCCNCCCN 104978 [2,0,0,0,0,0|2,0,0]=4 81 B9R0.45 CC\C=C/CCCCC=O 106733 [2,0,0,0,0,0|0,0,2]=4 82 B9R0.45 ClCCCCCCCCCl 099031 [2,0,0,0,0,0|2,0,0]=4 83 B9R0.45 ICCCCCCCCI 104507 [2,0,0,0,0,0|2,0,0]=4 84 B9R0.45 NCCCCCCCCN 462631 [2,0,0,0,0,0|2,0,0]=4 85 B9R0.45 OCCCCCCCCBr 037015 [2,0,0,0,0,0|1,0,1]=4 86 B9R0.45 OCCCCCCCCO 078005 [2,0,0,0,0,0|1,0,1]=4 87 B11R0.40 CCCCCCCCC(C)C=O 102661 [1,1,0,0,0,0|0,0,0]=2 88 B11R0.40 CCCCCCCCC(C)CO 104618 [1,1,0,0,0,0|0,0,1]=3 89 B11R0.140 CCCCCC(=O)CCCCC 241281 [1,1,0,0,0,0|0,0,2]=4 90 B11R0.140 CCCCCC(O)CCCCC 180377 [1,1,0,0,0,0|0,0,1]=3 91 B11R0.148 C=CCCCCCCCC(=O)O 002775 [1,1,0,0,0,0|0,0,2]=4 92 B11R0.148 CCCCCCCCCC(=O)Cl 099542 [1,1,0,0,0,0|0,0,0]=2 93 B11R0.148 CCCCCCCCCC(=O)O 102961 [1,1,0,0,0,0|0,0,0]=2 94 B11R0.148 CCCCCCCCCC(C)=O 106727 [1,1,0,0,0,0|0,0,0]=2 95 B11R0.148 CCCCCCCCCC(N)=O 180363 [1,1,0,0,0,0|0,0,0]=2 96 B11R0.148 CCCCCCCCNC(N)=S 018931 [1,1,0,0,0,0|1,1,0]=4 97 B11R0.148 O=C(O)CCCCCCCCBr 036989 [1,1,0,0,0,0|1,0,0]=3 98 B13R0.54 CCCCCCCCCCCC(=O)Cl 510088 [0,2,0,0,0,0|0,0,0]=2 99 B13R0.54 CCCCCCCCCCCC(=O)O 098848 [0,2,0,0,0,0|0,0,0]=2 100 B13R0.54 CCCCCCCCCCCC(C)=O 232943 [0,2,0,0,0,0|0,0,0]=2 101 B13R0.54 NC(=O)CCCCCCCCCCBr 104898 [0,2,0,0,0,0|0,0,0]=2 102 B13R0.54 NCCCCCCCCCCC(=O)O 239061 [0,2,0,0,0,0|0,0,0]=2 103 B13R0.54 O=C(Cl)CCCCCCCCCCBr 477866 [0,2,0,0,0,0|0,0,0]=2 104 B13R0.54 O=C(O)CCCCCCCCCCBr 216501 [0,2,0,0,0,0|0,0,0]=2 105 B13R0.54 O=C(O)CCCCCCCCCCO 008686 [0,2,0,0,0,0|0,0,0]=2 106 B13R0.336 BrCCCCCCCCCCCCBr 235574 [0,2,0,0,0,0|1,0,1]=4 107 B13R0.336 CCCCCCCCCCCCCC 240111 [0,2,0,0,0,0|1,0,1]=4 108 B13R0.336 CCCCCCCCCCCCSC 098356 [0,2,0,0,0,0|0,1,1]=4 109 B13R0.336 CCCCCC\C=C\CCCCCC 099796 [0,2,0,0,0,0|1,0,1]=4 110 B13R0.336 NCCCCCCCCCCCCN 242589 [0,2,0,0,0,0|1,0,1]=4 111 B13R0.336 OCCCCCCCCCCCCBr 041026 [0,2,0,0,0,0|0,0,2]=4 112 B13R0.336 OCCCCCCCCCCCCO 040537 [0,2,0,0,0,0|0,0,2]=4 113 B13R0.154 CCCCCCCC(O)CCC(N)=O 104685 [0,2,0,0,0,0|0,0,0]=2 114 B13R0.179 O=C(Cl)CCCCCCCCC(=O)Cl 245759 [0,2,0,0,0,0|1,0,1]=4 115 B13R0.179 O=C(O)CCCCCCCCC(=O)O 239585 [0,2,0,0,0,0|1,0,1]=4 116 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] 009634 [0,2,0,0,0,0|1,0,0]=3 117 B13R0.280 CCCCCCCCCC[Si](C)(C)Cl S05525 [0,2,0,0,0,0|1,1,0]=4 118 B11R1.28 NCCCCN1CCCCC1 058989 [1,0,0,1,0,0|2,0,0]=4 119 B11R1.28 NCCCNC1CCCCC1 242596 [1,0,0,1,0,0|2,0,0]=4 120 B11R1.180 CCCCCC1CCCC1=O 239571 [1,0,0,1,0,0|0,0,0]=2 121 B11R1.180 CCCCCC1CCCC1O 104687 [1,0,0,1,0,0|0,0,1]=3 122 B13R1.279 O=C1CCCCCCCCCCC1 099330 [0,1,0,1,0,0|0,0,0]=2 123 B13R1.470 CCOC(=O)CC1CCCCC1=O 448718 [0,1,0,1,0,0|1,0,1]=4 124 B13R1.28 CCCCOCCC1CCCCN1 032597 [0,1,0,1,0,0|1,0,1]=4 125 B13R1.1150 N#CCCNC1CCCCCCC1 018482 [0,1,0,1,0,0|1,0,1]=4 126 B13R1.27 CCCCCCCC1CCC(=O)O1 240934 [0,1,0,1,0,0|0,0,0]=2 127 B13R1.337 O=C(O)CCCCC1CCCCC1 105833 [0,1,0,1,0,0|0,0,0]=2 128 B13R2.4820 O=C1NCCN2CCCCCC12 026339 [0,0,0,2,0,0|2,0,0]=4