0 B11R0.148 CCCCCCCCCC(=O)Cl SBB060015 [0,0,0,0,0,0|1,0,2]=3 1 B11R0.148 CCCCCCCCCC(=O)O SBB060022 [0,0,0,0,0,0|1,0,1]=2 2 B11R0.148 CCCCCCCCCC(C)=O SBB060389 [0,0,0,0,0,0|0,0,2]=2 3 B11R0.148 CCCCCCCCCC(N)=O SBB061052 [0,0,0,0,0,0|1,0,2]=3 4 B11R0.148 CCCCCCCCOC(C)=O SBB060585 [0,0,0,0,0,0|1,0,2]=3 5 B11R0.148 CCCCSCCCCC(=O)O SBB019267 [0,0,0,0,0,0|2,0,1]=3 6 B10R0.4 CCCCCCCCB(O)O SBB071319 [1,0,0,0,0,0|2,0,0]=3 7 B10R0.4 CCCCCCCCC(=O)Cl SBB060014 [1,0,0,0,0,0|1,0,2]=4 8 B10R0.4 CCCCCCCCC(=O)O SBB058693 [1,0,0,0,0,0|1,0,1]=3 9 B10R0.4 CCCCCCCCC(N)=O SBB061053 [1,0,0,0,0,0|1,0,2]=4 10 B10R0.4 CCCCCCCCN(C)C SBB059991 [1,0,0,0,0,0|2,0,0]=3 11 B10R0.4 CCCCCCCOC(C)=O SBB060307 [1,0,0,0,0,0|1,0,2]=4 12 B10R0.4 CCCCCCNCC(C)O SBB059797 [1,0,0,0,0,0|1,0,0]=2 13 B10R0.4 OC(=O)CCCCCCCN SBB006735 [1,0,0,0,0,0|2,0,1]=4 14 B10R0.71 C=CCCCCCCCCBr SBB059351 [1,0,0,0,0,0|1,0,2]=4 15 B10R0.71 C=CCCCCCCCCC SBB009051 [1,0,0,0,0,0|0,0,2]=3 16 B10R0.71 CCCCC#CCCCCO SBB008895 [1,0,0,0,0,0|0,0,2]=3 17 B10R0.71 CCCCCCC#CCCO SBB008896 [1,0,0,0,0,0|0,0,2]=3 18 B10R0.71 CCCCCCCC#CCO SBB008898 [1,0,0,0,0,0|0,0,2]=3 19 B10R0.71 CCCCCCCCCC=O SBB058676 [1,0,0,0,0,0|0,0,2]=3 20 B10R0.71 CCCCCCCCCCBr SBB008838 [1,0,0,0,0,0|1,0,0]=2 21 B10R0.71 CCCCCCCCCCCl SBB059957 [1,0,0,0,0,0|1,0,0]=2 22 B10R0.71 CCCCCCCCCCF SBB087464 [1,0,0,0,0,0|1,0,0]=2 23 B10R0.71 CCCCCCCCCCO SBB059908 [1,0,0,0,0,0|0,0,0]=1 24 B10R0.71 CCCCCCCCCNC SBB059836 [1,0,0,0,0,0|1,0,0]=2 25 B10R0.71 CCCCCCCCN=C=O SBB068604 [1,0,0,0,0,0|1,0,2]=4 26 B10R0.71 CCCCCCCCN=C=S SBB058874 [1,0,0,0,0,0|1,1,1]=4 27 B10R0.71 CCCCCCCCNC=O SBB061176 [1,0,0,0,0,0|1,0,2]=4 28 B10R0.71 CCCCCCCCOCC SBB061155 [1,0,0,0,0,0|1,0,0]=2 29 B10R0.71 CCCCCCCOCCCl SBB060219 [1,0,0,0,0,0|2,0,0]=3 30 B10R0.71 CCCCCCCOCCO SBB060174 [1,0,0,0,0,0|1,0,0]=2 31 B10R0.71 CCCCCCCSCCO SBB019264 [1,0,0,0,0,0|1,0,0]=2 32 B10R0.71 CCCCCCNCCCC SBB059766 [1,0,0,0,0,0|1,0,0]=2 33 B10R0.71 CCCCCSCCCCC SBB060112 [1,0,0,0,0,0|1,0,0]=2 34 B10R0.71 CCCCNCCOCCO SBB059813 [1,0,0,0,0,0|2,0,0]=3 35 B10R0.71 CCCCOCCOCCCl SBB059967 [1,0,0,0,0,0|3,0,0]=4 36 B10R0.71 CCCCOCCOCCO SBB059921 [1,0,0,0,0,0|2,0,0]=3 37 B10R0.71 CCCCOCCSCCO SBB061080 [1,0,0,0,0,0|2,0,0]=3 38 B10R0.71 CCCCSCCOCCO SBB056691 [1,0,0,0,0,0|2,0,0]=3 39 B10R0.71 CCCC\C=C\CCCCO SBB008885 [1,0,0,0,0,0|0,0,2]=3 40 B10R0.71 CCSCCOCCSCC SBB057386 [1,0,0,0,0,0|3,0,0]=4 41 B10R0.71 COCCOCCOCCO SBB060942 [1,0,0,0,0,0|3,0,0]=4 42 B10R0.71 ClCCCCOCCCCCl SBB070766 [1,0,0,0,0,0|3,0,0]=4 43 B10R0.71 NCCCCCCCCCN SBB058794 [1,0,0,0,0,0|2,0,0]=3 44 B10R0.71 OCCCCCCCCCO SBB008482 [1,0,0,0,0,0|1,0,0]=2 45 B10R0.71 OCCSCCCSCCO SBB056734 [1,0,0,0,0,0|3,0,0]=4 46 B10R0.71 SCCCCCCCCCS SBB066560 [1,0,0,0,0,0|1,1,0]=3 47 B10R0.71 [NH2+](CCCC)CCCCCC SBB061637 [1,0,0,0,0,0|1,0,0]=2 48 B12R0.234 C#CCCCCCCCCC(=O)O SBB008483 [0,1,0,0,0,0|1,0,2]=4 49 B12R0.234 C=CCCCCCCCCC(=O)O SBB009049 [0,1,0,0,0,0|1,0,2]=4 50 B12R0.234 CCCCCCCCCCC(=O)Cl SBB060536 [0,1,0,0,0,0|1,0,2]=4 51 B12R0.234 CCCCCCCCCCC(=O)O SBB058709 [0,1,0,0,0,0|1,0,1]=3 52 B12R0.234 CCCCCCCCCCC(C)O SBB060451 [0,1,0,0,0,0|0,0,0]=1 53 B12R0.234 CCCCCCCCCCN(C)C SBB060244 [0,1,0,0,0,0|2,0,0]=3 54 B12R0.234 CCCCCCCCCOC(C)=O SBB060586 [0,1,0,0,0,0|0,0,2]=3 55 B12R0.234 CCCCCCCCOCC(C)O SBB061010 [0,1,0,0,0,0|0,0,0]=1 56 B12R0.234 CCCCOCCOCCN(C)C SBB056704 [0,1,0,0,0,0|3,0,0]=4 57 B12R0.248 CCCCCCCCCC(=O)NN SBB030321 [0,1,0,0,0,0|1,0,2]=4 58 B12R0.248 CCCCCCCCCC(=O)OC SBB060318 [0,1,0,0,0,0|0,0,2]=3 59 B12R0.248 CCCCCCCCCC(C)C=O SBB060149 [0,1,0,0,0,0|0,0,1]=2 60 B12R0.248 CCCCCCCCCC(O)CC SBB059910 [0,1,0,0,0,0|0,0,0]=1 61 B12R0.248 CCCCCCCCNC(=O)CCl SBB056847 [0,1,0,0,0,0|1,0,2]=4 62 B12R0.248 CCCCCCCCOC(=O)CC SBB060314 [0,1,0,0,0,0|1,0,2]=4 63 B12R0.248 CCCCCCCCOC(=O)CCl SBB060033 [0,1,0,0,0,0|1,0,2]=4 64 B12R0.248 CCCCOCCOCC(O)CCl SBB061085 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.7 CCCCCCC1OCC(C)O1 SBB060959 [0,0,0,1,0,0|1,0,0]=2 66 B12R1.75 CCC1CCCCN1CC(=O)O SBB111674 [0,0,0,1,0,0|2,0,1]=4 67 B12R1.125 CC1CCCCN1CCC(=O)O SBB010526 [0,0,0,1,0,0|2,0,1]=4 68 B12R1.252 CN(C)CCNC1CCCCC1 SBB050062 [0,0,0,1,0,0|3,0,0]=4 69 B12R1.252 O=C(O)CCCC1CCCCN1 SBB014750 [0,0,0,1,0,0|2,0,1]=4 70 B12R1.252 O=C(O)CCCC1CCNCC1 SBB003471 [0,0,0,1,0,0|2,0,1]=4 71 B12R1.252 O=C(O)CCCC1CCNCC1 SBB014751 [0,0,0,1,0,0|2,0,1]=4 72 B12R1.252 O=C([O-])CCCC1CCCCC1 SBB008626 [0,0,0,1,0,0|1,0,2]=4 73 B12R1.255 CC(O)CCCCC1CCCO1 SBB017121 [0,0,0,1,0,0|1,0,0]=2 74 B12R1.375 CCCCOCCOCC1CO1 SBB061528 [0,0,0,1,0,0|2,0,0]=3 75 B12R1.1343 CC(N)CCN1CCCCCC1 SBB010517 [0,0,0,1,0,0|2,0,0]=3 76 B12R1.1343 O=C(O)CCN1CCCCCC1 SBB010525 [0,0,0,1,0,0|2,0,1]=4 77 B12R1.1343 O=C(O)CNC1CCCCCC1 SBB046505 [0,0,0,1,0,0|2,0,1]=4 78 B9R0.2 CCCCCCCC(=O)O SBB060020 [2,0,0,0,0,0|1,0,1]=4 79 B9R0.2 CCCCCCCC(C)=O SBB061540 [2,0,0,0,0,0|0,0,2]=4 80 B9R0.2 CCCCCCCC(C)O SBB008521 [2,0,0,0,0,0|0,0,0]=2 81 B9R0.2 CCCCCCCN(C)C SBB061364 [2,0,0,0,0,0|2,0,0]=4 82 B9R0.2 CCOCCOCC(C)O SBB061150 [2,0,0,0,0,0|2,0,0]=4 83 B9R0.45 BrCCCCCCCCBr SBB060805 [2,0,0,0,0,0|2,0,0]=4 84 B9R0.45 C#CCCCCCCCC SBB008883 [2,0,0,0,0,0|0,0,2]=4 85 B9R0.45 C=CCCCCCCCC SBB058674 [2,0,0,0,0,0|0,0,2]=4 86 B9R0.45 CCCCCC#CCCO SBB009142 [2,0,0,0,0,0|0,0,2]=4 87 B9R0.45 CCCCCCC#CCO SBB009144 [2,0,0,0,0,0|0,0,2]=4 88 B9R0.45 CCCCCCCCC=O SBB059872 [2,0,0,0,0,0|0,0,2]=4 89 B9R0.45 CCCCCCCCCBr SBB059939 [2,0,0,0,0,0|1,0,0]=3 90 B9R0.45 CCCCCCCCCCl SBB059956 [2,0,0,0,0,0|1,0,0]=3 91 B9R0.45 CCCCCCCCCN SBB059987 [2,0,0,0,0,0|1,0,0]=3 92 B9R0.45 CCCCCCCCCO SBB059907 [2,0,0,0,0,0|0,0,0]=2 93 B9R0.45 CCCCCCCCOC SBB061156 [2,0,0,0,0,0|1,0,0]=3 94 B9R0.45 CCCCCCNCCN SBB058822 [2,0,0,0,0,0|2,0,0]=4 95 B9R0.45 CCCCCCNCCO SBB007879 [2,0,0,0,0,0|1,0,0]=3 96 B9R0.45 CCCCCCOCCCl SBB060218 [2,0,0,0,0,0|2,0,0]=4 97 B9R0.45 CCCCCCOCCO SBB060173 [2,0,0,0,0,0|1,0,0]=3 98 B9R0.45 CCCCCCSCCO SBB060444 [2,0,0,0,0,0|1,0,0]=3 99 B9R0.45 CCCCCNCCCC SBB059765 [2,0,0,0,0,0|1,0,0]=3 100 B9R0.45 CCCCNCCOCC SBB056553 [2,0,0,0,0,0|2,0,0]=4 101 B9R0.45 CCCCSSCCCC SBB060118 [2,0,0,0,0,0|2,0,0]=4 102 B9R0.45 CCCNCCOCCO SBB059816 [2,0,0,0,0,0|2,0,0]=4 103 B9R0.45 CCSCCCCSCC SBB061079 [2,0,0,0,0,0|2,0,0]=4 104 B9R0.45 ClCCCCCCCCCl SBB008751 [2,0,0,0,0,0|2,0,0]=4 105 B9R0.45 NCCCCCCCCN SBB058725 [2,0,0,0,0,0|2,0,0]=4 106 B9R0.45 OCCCCCCCCO SBB060739 [2,0,0,0,0,0|1,0,0]=3 107 B9R0.45 [NH2+](CCCC)CCCCC SBB061636 [2,0,0,0,0,0|1,0,0]=3 108 B11R0.30 CC(C)CCCCCCC(=O)O SBB088692 [1,1,0,0,0,0|1,0,1]=4 109 B11R0.40 CCCCCCCCC(=O)OC SBB060593 [1,1,0,0,0,0|0,0,2]=4 110 B11R0.40 CCCCCCCCC(Br)CBr SBB060685 [1,1,0,0,0,0|1,0,0]=3 111 B11R0.40 CCCCCCCCC(Cl)CCl SBB060507 [1,1,0,0,0,0|1,0,0]=3 112 B11R0.40 CCCCCCOCC(O)CCl SBB059973 [1,1,0,0,0,0|1,0,0]=3 113 B11R0.40 CCCCCCOCC(O)CO SBB060186 [1,1,0,0,0,0|1,0,0]=3 114 B11R0.159 CCCCCCCC[N+](C)(C)C SBB060103 [1,1,0,0,0,0|2,0,0]=4 115 B11R0.3 C#CCCCCCCCCCO SBB009008 [1,1,0,0,0,0|0,0,1]=3 116 B11R0.3 C=CCCCCCCCCCBr SBB059242 [1,1,0,0,0,0|0,0,2]=4 117 B11R0.3 C=CCCCCCCCCCC SBB059886 [1,1,0,0,0,0|0,0,1]=3 118 B11R0.3 C=CCCCCCCCCCO SBB009050 [1,1,0,0,0,0|0,0,1]=3 119 B11R0.3 CCCCCCCCCCC#N SBB060054 [1,1,0,0,0,0|0,0,1]=3 120 B11R0.3 CCCCCCCCCCC=O SBB059873 [1,1,0,0,0,0|0,0,1]=3 121 B11R0.3 CCCCCCCCCCCBr SBB059940 [1,1,0,0,0,0|0,0,0]=2 122 B11R0.3 CCCCCCCCCCCCl SBB059958 [1,1,0,0,0,0|0,0,0]=2 123 B11R0.3 CCCCCCCCCCCI SBB061359 [1,1,0,0,0,0|0,0,0]=2 124 B11R0.3 CCCCCCCCCCCO SBB059909 [1,1,0,0,0,0|0,0,0]=2 125 B11R0.3 CCCCCCCCCCNC SBB059819 [1,1,0,0,0,0|0,0,0]=2 126 B11R0.3 CCCCCCCCCOC=O SBB060304 [1,1,0,0,0,0|0,0,2]=4 127 B11R0.3 CCCCCCCCNCCC SBB059839 [1,1,0,0,0,0|0,0,0]=2 128 B11R0.3 CCCCCCCCNCCO SBB056741 [1,1,0,0,0,0|0,0,0]=2 129 B11R0.3 CCCCCCCCOCCCl SBB060220 [1,1,0,0,0,0|1,0,0]=3 130 B11R0.3 CCCCCCCCOCCN SBB071652 [1,1,0,0,0,0|1,0,0]=3 131 B11R0.3 CCCCCCCCOCCO SBB059919 [1,1,0,0,0,0|0,0,0]=2 132 B11R0.3 CCCCCCCCSCCO SBB013612 [1,1,0,0,0,0|0,0,0]=2 133 B11R0.3 CCCCCCCCSCCS SBB061350 [1,1,0,0,0,0|0,1,0]=3 134 B11R0.3 CCCCCCCNCCCC SBB059767 [1,1,0,0,0,0|0,0,0]=2 135 B11R0.3 CCCCCSCCOCCO SBB060445 [1,1,0,0,0,0|1,0,0]=3 136 B11R0.3 CCCCNCCOCCCC SBB056702 [1,1,0,0,0,0|1,0,0]=3 137 B11R0.3 CCCCSCCSCCCC SBB061309 [1,1,0,0,0,0|1,0,0]=3 138 B11R0.3 CCOCCOCCOCCO SBB061126 [1,1,0,0,0,0|2,0,0]=4 139 B11R0.3 CCOCCOCCSCCO SBB061081 [1,1,0,0,0,0|2,0,0]=4 140 B11R0.3 CCSCCCCCCSCC SBB057107 [1,1,0,0,0,0|1,0,0]=3 141 B11R0.3 CCSCCOCCOCCO SBB061066 [1,1,0,0,0,0|2,0,0]=4 142 B11R0.3 ClCCCCCCCCCCCl SBB061063 [1,1,0,0,0,0|1,0,0]=3 143 B11R0.3 OCCCCCCCCCCBr SBB059278 [1,1,0,0,0,0|0,0,0]=2 144 B11R0.3 OCCCCCCCCCCO SBB008880 [1,1,0,0,0,0|0,0,0]=2 145 B11R0.3 OCCOCCCCOCCO SBB061586 [1,1,0,0,0,0|2,0,0]=4 146 B11R0.3 OCCSCCCCSCCO SBB056733 [1,1,0,0,0,0|2,0,0]=4 147 B11R0.3 SCCCCCCCCCCS SBB066557 [1,1,0,0,0,0|0,1,0]=3 148 B11R0.3 [NH2+](CCCC)CCCCCCC SBB061641 [1,1,0,0,0,0|0,0,0]=2 149 B11R0.4 CCCCCCCC(=O)OCC SBB061059 [1,1,0,0,0,0|1,0,1]=4 150 B11R0.4 CCCCCCOC(=O)CCC SBB061110 [1,1,0,0,0,0|1,0,1]=4 151 B11R0.81 CCCCCCC(C)OCCCl SBB061537 [1,1,0,0,0,0|2,0,0]=4 152 B11R0.81 CCCCCCC(C)OCCO SBB061589 [1,1,0,0,0,0|1,0,0]=3 153 B11R0.140 CCCCCC(=O)OCCCC SBB061115 [1,1,0,0,0,0|1,0,1]=4 154 B13R0.280 CCCCCCCCCCP(=O)(O)O SBB057479 [0,2,0,0,0,0|2,0,0]=4 155 B13R0.280 CCCCCCCCCC[N+](C)(C)C SBB060104 [0,2,0,0,0,0|2,0,0]=4 156 B13R0.54 CCCCCCCCCCCC(=O)O SBB060023 [0,2,0,0,0,0|1,0,1]=4 157 B13R0.54 CCCCCCCCCCCN(C)C SBB061365 [0,2,0,0,0,0|2,0,0]=4 158 B13R0.54 CCCCCCCCCCOC(C)=O SBB058677 [0,2,0,0,0,0|0,0,2]=4 159 B13R0.54 CCCCCCCCSCCC(=O)O SBB000583 [0,2,0,0,0,0|1,0,1]=4 160 B13R0.54 CCCCSCCCCCCC(=O)O SBB001713 [0,2,0,0,0,0|1,0,1]=4 161 B13R0.54 NCCCCCCCCCCC(=O)O SBB058716 [0,2,0,0,0,0|1,0,1]=4 162 B13R0.54 O=C(O)CCCCCCCCCCBr SBB061375 [0,2,0,0,0,0|1,0,1]=4 163 B13R0.147 CCCCCCCCCCC(=O)OC SBB060594 [0,2,0,0,0,0|0,0,2]=4 164 B13R0.147 CCCCCCCCCCC(Br)CBr SBB060500 [0,2,0,0,0,0|1,0,0]=3 165 B13R0.147 CCCCCCCCCCC(Cl)CCl SBB060454 [0,2,0,0,0,0|1,0,0]=3 166 B13R0.147 CCCCCCCCOCC(O)CCl SBB059974 [0,2,0,0,0,0|0,0,0]=2 167 B13R0.147 CCCCCCCCOCC(O)CO SBB060187 [0,2,0,0,0,0|0,0,0]=2 168 B13R0.150 CCCCCCCCCC(=O)N(C)C SBB008016 [0,2,0,0,0,0|0,0,2]=4 169 B13R0.2 CCCCCCCCCC(=O)OCC SBB061060 [0,2,0,0,0,0|0,0,2]=4 170 B13R0.1170 CCCCCCC(C)OCC(O)CCl SBB056512 [0,2,0,0,0,0|1,0,0]=3 171 B11R1.24 CCCNC1CCCC(C)C1 SBB080101 [1,0,0,1,0,0|2,0,0]=4 172 B11R1.24 NCCCN1CCCC(O)C1 SBB017949 [1,0,0,1,0,0|2,0,0]=4 173 B11R1.99 CCCCCCCCC1CO1 SBB017139 [1,0,0,1,0,0|0,0,0]=2 174 B11R1.99 CCCCCCOCC1CO1 SBB060098 [1,0,0,1,0,0|1,0,0]=3 175 B11R1.742 CC(O)CN1CCCCCC1 SBB056515 [1,0,0,1,0,0|1,0,0]=3 176 B11R1.4 CCCCCCC1OCCO1 SBB060884 [1,0,0,1,0,0|1,0,0]=3 177 B11R1.4 COCCNCC1CCCO1 SBB046580 [1,0,0,1,0,0|2,0,0]=4 178 B11R1.18 NCCCN1CCCC1CO SBB010404 [1,0,0,1,0,0|2,0,0]=4 179 B11R1.28 CCCCCN1CCNCC1 SBB046807 [1,0,0,1,0,0|2,0,0]=4 180 B11R1.28 CCCCNC1CCCCC1 SBB059770 [1,0,0,1,0,0|1,0,0]=3 181 B11R1.28 CCCOCC1CCNCC1 SBB080533 [1,0,0,1,0,0|2,0,0]=4 182 B11R1.28 NCCCCN1CCCCC1 SBB017939 [1,0,0,1,0,0|2,0,0]=4 183 B11R1.28 NCCCNC1CCCCC1 SBB028322 [1,0,0,1,0,0|2,0,0]=4 184 B11R1.41 CCC1CCCCN1CCN SBB044880 [1,0,0,1,0,0|2,0,0]=4 185 B11R1.203 NCCCN1CCCCCC1 SBB044879 [1,0,0,1,0,0|2,0,0]=4 186 B13R1.1988 O=C(O)CCCN1CCCCCC1 SBB077232 [0,1,0,1,0,0|1,0,1]=4 187 B13R1.279 NC1CCCCCCCCCCC1 SBB003726 [0,1,0,1,0,0|1,0,0]=3 188 B13R1.279 O=C1CCCCCCCCCCC1 SBB060076 [0,1,0,1,0,0|0,0,2]=4 189 B13R1.279 O=C1CCCCCCCCCCO1 SBB061611 [0,1,0,1,0,0|0,0,2]=4 190 B13R1.279 OC1CCCCCCCCCCC1 SBB060734 [0,1,0,1,0,0|0,0,0]=2 191 B13R1.659 CCCCCCCCOCC1CO1 SBB060099 [0,1,0,1,0,0|0,0,0]=2 192 B13R1.344 CC(O)CCC(C)CC1CCCO1 SBB017122 [0,1,0,1,0,0|1,0,0]=3 193 B13R2.11128 CC1CCOC2(CCCCC2)O1 SBB056719 [0,0,0,2,0,0|1,0,0]=3