0 B11R0.140 CCCCCC(=O)OCCCC SBB061115 [0,0,0,0,0,0|1,0,0]=1 1 B11R0.140 CCCCNC(=O)NCCCC SBB007953 [0,0,0,0,0,0|2,0,0]=2 2 B11R0.140 P(=O)(OCCCC)OCCCC SBB056826 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.71 C=CCCCCCCCCC SBB009051 [1,0,0,0,0,0|0,0,3]=4 4 B10R0.71 CCCCC#CCCCCO SBB008895 [1,0,0,0,0,0|1,0,2]=4 5 B10R0.71 CCCCCCCCCC=O SBB058676 [1,0,0,0,0,0|1,0,2]=4 6 B10R0.71 CCCCCCCCCCBr SBB008838 [1,0,0,0,0,0|1,0,1]=3 7 B10R0.71 CCCCCCCCCCCl SBB059957 [1,0,0,0,0,0|1,0,1]=3 8 B10R0.71 CCCCCCCCCCF SBB087464 [1,0,0,0,0,0|1,0,1]=3 9 B10R0.71 CCCCCCCCCCO SBB059908 [1,0,0,0,0,0|1,0,1]=3 10 B10R0.71 CCCCCCCCCNC SBB059836 [1,0,0,0,0,0|1,0,1]=3 11 B10R0.71 CCCCCCCCOCC SBB061155 [1,0,0,0,0,0|1,0,1]=3 12 B10R0.71 CCCCCCCOCCCl SBB060219 [1,0,0,0,0,0|2,0,1]=4 13 B10R0.71 CCCCCCCOCCO SBB060174 [1,0,0,0,0,0|2,0,1]=4 14 B10R0.71 CCCCCCCSCCO SBB019264 [1,0,0,0,0,0|2,0,1]=4 15 B10R0.71 CCCCCCNCCCC SBB059766 [1,0,0,0,0,0|1,0,1]=3 16 B10R0.71 CCCCCSCCCCC SBB060112 [1,0,0,0,0,0|1,0,0]=2 17 B10R0.71 CCCC\C=C\CCCCO SBB008885 [1,0,0,0,0,0|1,0,1]=3 18 B10R0.71 CCSCCOCCSCC SBB057386 [1,0,0,0,0,0|3,0,0]=4 19 B10R0.71 ClCCCCOCCCCCl SBB070766 [1,0,0,0,0,0|3,0,0]=4 20 B10R0.71 NCCCCCCCCCN SBB058794 [1,0,0,0,0,0|2,0,1]=4 21 B10R0.71 OCCCCCCCCCO SBB008482 [1,0,0,0,0,0|2,0,1]=4 22 B10R0.71 SCCCCCCCCCS SBB066560 [1,0,0,0,0,0|2,0,1]=4 23 B10R0.71 [NH2+](CCCC)CCCCCC SBB061637 [1,0,0,0,0,0|1,0,1]=3 24 B10R0.91 CCCCCC(=O)OCCCl SBB061275 [1,0,0,0,0,0|2,0,0]=3 25 B12R0.47 CCCCCCC(O)CCCCC SBB059913 [0,1,0,0,0,0|0,0,2]=3 26 B12R0.47 CCCCCOC(=O)CCCCC SBB061116 [0,1,0,0,0,0|0,0,0]=1 27 B12R0.117 CCCCCN(C#N)CCCCC SBB072740 [0,1,0,0,0,0|2,0,0]=3 28 B9R0.45 BrCCCCCCCCBr SBB060805 [2,0,0,0,0,0|2,0,0]=4 29 B9R0.45 C#CCCCCCCCC SBB008883 [2,0,0,0,0,0|0,0,2]=4 30 B9R0.45 C=CCCCCCCCC SBB058674 [2,0,0,0,0,0|0,0,2]=4 31 B9R0.45 CCCCCCCCC=O SBB059872 [2,0,0,0,0,0|1,0,1]=4 32 B9R0.45 CCCCCCCCCBr SBB059939 [2,0,0,0,0,0|1,0,0]=3 33 B9R0.45 CCCCCCCCCCl SBB059956 [2,0,0,0,0,0|1,0,0]=3 34 B9R0.45 CCCCCCCCCN SBB059987 [2,0,0,0,0,0|1,0,0]=3 35 B9R0.45 CCCCCCCCCO SBB059907 [2,0,0,0,0,0|1,0,0]=3 36 B9R0.45 CCCCCCCCOC SBB061156 [2,0,0,0,0,0|1,0,0]=3 37 B9R0.45 CCCCCCNCCN SBB058822 [2,0,0,0,0,0|2,0,0]=4 38 B9R0.45 CCCCCCNCCO SBB007879 [2,0,0,0,0,0|2,0,0]=4 39 B9R0.45 CCCCCCOCCCl SBB060218 [2,0,0,0,0,0|2,0,0]=4 40 B9R0.45 CCCCCCOCCO SBB060173 [2,0,0,0,0,0|2,0,0]=4 41 B9R0.45 CCCCCCSCCO SBB060444 [2,0,0,0,0,0|2,0,0]=4 42 B9R0.45 CCCCCNCCCC SBB059765 [2,0,0,0,0,0|1,0,0]=3 43 B9R0.45 CCCCNCCOCC SBB056553 [2,0,0,0,0,0|2,0,0]=4 44 B9R0.45 CCCCSSCCCC SBB060118 [2,0,0,0,0,0|2,0,0]=4 45 B9R0.45 CCSCCCCSCC SBB061079 [2,0,0,0,0,0|2,0,0]=4 46 B9R0.45 ClCCCCCCCCCl SBB008751 [2,0,0,0,0,0|2,0,0]=4 47 B9R0.45 NCCCCCCCCN SBB058725 [2,0,0,0,0,0|2,0,0]=4 48 B9R0.45 OCCCCCCCCO SBB060739 [2,0,0,0,0,0|2,0,0]=4 49 B9R0.45 [NH2+](CCCC)CCCCC SBB061636 [2,0,0,0,0,0|1,0,0]=3 50 B9R0.5 CCCCCC(=O)CCC SBB005828 [2,0,0,0,0,0|0,0,0]=2 51 B9R0.5 CCCCCC(=O)OCC SBB060316 [2,0,0,0,0,0|1,0,0]=3 52 B9R0.5 CCCCOC(=O)CCC SBB061107 [2,0,0,0,0,0|1,0,0]=3 53 B9R0.5 CCOC(=O)CCCCBr SBB070781 [2,0,0,0,0,0|2,0,0]=4 54 B9R0.18 CCCCC(=O)CCCC SBB060073 [2,0,0,0,0,0|0,0,0]=2 55 B9R0.18 CCCCC(=O)OCCC SBB061228 [2,0,0,0,0,0|1,0,0]=3 56 B9R0.18 CCCCN(C)CCCC SBB061560 [2,0,0,0,0,0|2,0,0]=4 57 B9R0.18 CCCCS(=O)CCCC SBB060669 [2,0,0,0,0,0|1,0,0]=3 58 B11R0.3 C=CCCCCCCCCCC SBB059886 [1,1,0,0,0,0|0,0,2]=4 59 B11R0.3 CCCCCCCCCCC#N SBB060054 [1,1,0,0,0,0|0,0,2]=4 60 B11R0.3 CCCCCCCCCCC=O SBB059873 [1,1,0,0,0,0|0,0,2]=4 61 B11R0.3 CCCCCCCCCCCBr SBB059940 [1,1,0,0,0,0|0,0,1]=3 62 B11R0.3 CCCCCCCCCCCCl SBB059958 [1,1,0,0,0,0|0,0,1]=3 63 B11R0.3 CCCCCCCCCCCI SBB061359 [1,1,0,0,0,0|0,0,1]=3 64 B11R0.3 CCCCCCCCCCCO SBB059909 [1,1,0,0,0,0|0,0,1]=3 65 B11R0.3 CCCCCCCCCCNC SBB059819 [1,1,0,0,0,0|0,0,1]=3 66 B11R0.3 CCCCCCCCNCCC SBB059839 [1,1,0,0,0,0|0,0,1]=3 67 B11R0.3 CCCCCCCCNCCO SBB056741 [1,1,0,0,0,0|1,0,1]=4 68 B11R0.3 CCCCCCCCOCCCl SBB060220 [1,1,0,0,0,0|1,0,1]=4 69 B11R0.3 CCCCCCCCOCCN SBB071652 [1,1,0,0,0,0|1,0,1]=4 70 B11R0.3 CCCCCCCCOCCO SBB059919 [1,1,0,0,0,0|1,0,1]=4 71 B11R0.3 CCCCCCCCSCCO SBB013612 [1,1,0,0,0,0|1,0,1]=4 72 B11R0.3 CCCCCCCCSCCS SBB061350 [1,1,0,0,0,0|1,0,1]=4 73 B11R0.3 CCCCCCCNCCCC SBB059767 [1,1,0,0,0,0|0,0,1]=3 74 B11R0.3 CCCCCSCCOCCO SBB060445 [1,1,0,0,0,0|2,0,0]=4 75 B11R0.3 CCCCNCCOCCCC SBB056702 [1,1,0,0,0,0|1,0,1]=4 76 B11R0.3 CCCCSCCSCCCC SBB061309 [1,1,0,0,0,0|1,0,1]=4 77 B11R0.3 CCSCCCCCCSCC SBB057107 [1,1,0,0,0,0|1,0,1]=4 78 B11R0.3 ClCCCCCCCCCCCl SBB061063 [1,1,0,0,0,0|1,0,1]=4 79 B11R0.3 OCCCCCCCCCCBr SBB059278 [1,1,0,0,0,0|1,0,1]=4 80 B11R0.3 OCCCCCCCCCCO SBB008880 [1,1,0,0,0,0|1,0,1]=4 81 B11R0.3 SCCCCCCCCCCS SBB066557 [1,1,0,0,0,0|1,0,1]=4 82 B11R0.3 [NH2+](CCCC)CCCCCCC SBB061641 [1,1,0,0,0,0|0,0,1]=3 83 B11R0.40 CCCCCCCCC(Br)CBr SBB060685 [1,1,0,0,0,0|1,0,1]=4 84 B11R0.40 CCCCCCCCC(Cl)CCl SBB060507 [1,1,0,0,0,0|1,0,1]=4 85 B11R0.148 CCCCCCCCCC(C)=O SBB060389 [1,1,0,0,0,0|0,0,2]=4 86 B11R0.46 CCCCCC(=O)OCC(C)C SBB056802 [1,1,0,0,0,0|1,0,0]=3 87 B13R0.165 CCCCCOS(=O)OCCCCC SBB060109 [0,2,0,0,0,0|1,0,0]=3 88 B13R0.338 CCCCCCOC(=O)CCCCC SBB061193 [0,2,0,0,0,0|0,0,0]=2 89 B13R0.398 CCCCOC(=O)C(=O)OCCCC SBB060322 [0,2,0,0,0,0|1,0,1]=4 90 B13R0.800 CCCCCC(CCCCC)C(=O)O SBB007872 [0,2,0,0,0,0|0,0,1]=3 91 B13R0.1281 CCCCOC(=O)C(CC)CCCC SBB061121 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.28 CCCCCN1CCNCC1 SBB046807 [1,0,0,1,0,0|2,0,0]=4 93 B11R1.28 CCCCNC1CCCCC1 SBB059770 [1,0,0,1,0,0|1,0,1]=4 94 B11R1.28 NCCCCN1CCCCC1 SBB017939 [1,0,0,1,0,0|2,0,0]=4 95 B11R1.99 CCCCCCCCC1CO1 SBB017139 [1,0,0,1,0,0|1,0,1]=4 96 B13R1.279 NC1CCCCCCCCCCC1 SBB003726 [0,1,0,1,0,0|1,0,1]=4 97 B13R1.279 O=C1CCCCCCCCCCC1 SBB060076 [0,1,0,1,0,0|0,0,0]=2 98 B13R1.279 O=C1CCCCCCCCCCO1 SBB061611 [0,1,0,1,0,0|0,0,0]=2 99 B13R1.279 OC1CCCCCCCCCCC1 SBB060734 [0,1,0,1,0,0|0,0,2]=4 100 B13R1.725 CCCCOC(=O)C1CCCC1=O SBB060675 [0,1,0,1,0,0|1,0,1]=4