0 B9R0.45 BrCCCCCCCCBr SBB060805 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.45 C#CCCCCCCC#C SBB008879 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.45 C#CCCCCCCCC SBB008883 [0,0,0,0,0,0|1,0,1]=2 3 B9R0.45 C(=O)\C=C\CCCCCC SBB006609 [0,0,0,0,0,0|0,0,2]=2 4 B9R0.45 C(=O)\C=C\CC\C=C/CC SBB006611 [0,0,0,0,0,0|0,0,4]=4 5 B9R0.45 C=CCCCCCCCC SBB058674 [0,0,0,0,0,0|1,0,0]=1 6 B9R0.45 CCCCCC#CCCO SBB009142 [0,0,0,0,0,0|0,0,4]=4 7 B9R0.45 CCCCCCC#CCO SBB009144 [0,0,0,0,0,0|0,0,4]=4 8 B9R0.45 CCCCCCCCC=O SBB059872 [0,0,0,0,0,0|0,0,0]=0 9 B9R0.45 CCCCCCCCCBr SBB059939 [0,0,0,0,0,0|1,0,1]=2 10 B9R0.45 CCCCCCCCCCl SBB059956 [0,0,0,0,0,0|1,0,1]=2 11 B9R0.45 CCCCCCCCCN SBB059987 [0,0,0,0,0,0|1,0,1]=2 12 B9R0.45 CCCCCCCCCO SBB059907 [0,0,0,0,0,0|0,0,2]=2 13 B9R0.45 CCCCCCCCOC SBB061156 [0,0,0,0,0,0|2,0,0]=2 14 B9R0.45 CCCCCCCOC=O SBB060303 [0,0,0,0,0,0|1,0,0]=1 15 B9R0.45 CCCCCCNCCN SBB058822 [0,0,0,0,0,0|2,0,1]=3 16 B9R0.45 CCCCCCNCCO SBB007879 [0,0,0,0,0,0|1,0,2]=3 17 B9R0.45 CCCCCCOCCCl SBB060218 [0,0,0,0,0,0|2,0,1]=3 18 B9R0.45 CCCCCCOCCO SBB060173 [0,0,0,0,0,0|1,0,2]=3 19 B9R0.45 CCCCCCSCCO SBB060444 [0,0,0,0,0,0|1,0,2]=3 20 B9R0.45 CCCCCNCCCC SBB059765 [0,0,0,0,0,0|2,0,1]=3 21 B9R0.45 CCCCCOCCC#N SBB061167 [0,0,0,0,0,0|2,0,1]=3 22 B9R0.45 CCCCNCCOCC SBB056553 [0,0,0,0,0,0|3,0,1]=4 23 B9R0.45 CCCCSSCCCC SBB060118 [0,0,0,0,0,0|3,0,1]=4 24 B9R0.45 CCCNCCOCCO SBB059816 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.45 CCCOCCOCCCl SBB061386 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.45 CCSCCCCSCC SBB061079 [0,0,0,0,0,0|3,0,1]=4 27 B9R0.45 ClCCCCCCCCCl SBB008751 [0,0,0,0,0,0|2,0,1]=3 28 B9R0.45 N#CCCCCCCC#N SBB058840 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.45 NCCCCCCCCN SBB058725 [0,0,0,0,0,0|2,0,1]=3 30 B9R0.45 OCCCCCCCCO SBB060739 [0,0,0,0,0,0|1,0,2]=3 31 B9R0.45 [NH2+](CCCC)CCCCC SBB061636 [0,0,0,0,0,0|2,0,1]=3 32 B8R0.4 C#CCCCCCCO SBB062745 [1,0,0,0,0,0|0,0,3]=4 33 B8R0.4 C=CCCCCCCC SBB060474 [1,0,0,0,0,0|0,0,1]=2 34 B8R0.4 CCCCC#CCCO SBB009106 [1,0,0,0,0,0|0,0,3]=4 35 B8R0.4 CCCCCC#CCO SBB009105 [1,0,0,0,0,0|0,0,3]=4 36 B8R0.4 CCCCCCCC#N SBB060053 [1,0,0,0,0,0|1,0,1]=3 37 B8R0.4 CCCCCCCC=O SBB059871 [1,0,0,0,0,0|0,0,0]=1 38 B8R0.4 CCCCCCCCBr SBB059937 [1,0,0,0,0,0|1,0,0]=2 39 B8R0.4 CCCCCCCCCl SBB059955 [1,0,0,0,0,0|1,0,0]=2 40 B8R0.4 CCCCCCCCN SBB059986 [1,0,0,0,0,0|1,0,0]=2 41 B8R0.4 CCCCCCCCO SBB059902 [1,0,0,0,0,0|0,0,1]=2 42 B8R0.4 CCCCCCCNC SBB059820 [1,0,0,0,0,0|1,0,1]=3 43 B8R0.4 CCCCCCN=C=O SBB058614 [1,0,0,0,0,0|1,0,1]=3 44 B8R0.4 CCCCCCN=C=S SBB061289 [1,0,0,0,0,0|1,1,1]=4 45 B8R0.4 CCCCCCNC=O SBB061175 [1,0,0,0,0,0|1,0,0]=2 46 B8R0.4 CCCCCCOC=O SBB060302 [1,0,0,0,0,0|1,0,0]=2 47 B8R0.4 CCCCCCSCC SBB061179 [1,0,0,0,0,0|1,0,1]=3 48 B8R0.4 CCCCCNCCO SBB059826 [1,0,0,0,0,0|1,0,1]=3 49 B8R0.4 CCCCC\C=C\C=O SBB068337 [1,0,0,0,0,0|0,0,2]=3 50 B8R0.4 CCCCNCCC#N SBB017631 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.4 CCCCNCCCC SBB059755 [1,0,0,0,0,0|1,0,1]=3 52 B8R0.4 CCCCNCCOC SBB056732 [1,0,0,0,0,0|2,0,1]=4 53 B8R0.4 CCCCOCCC#N SBB058573 [1,0,0,0,0,0|2,0,1]=4 54 B8R0.4 CCCCOCCCC SBB060059 [1,0,0,0,0,0|1,0,1]=3 55 B8R0.4 CCCCOCCCN SBB061718 [1,0,0,0,0,0|2,0,0]=3 56 B8R0.4 CCCCSCCCC SBB060667 [1,0,0,0,0,0|1,0,1]=3 57 B8R0.4 CCOCCOCCCl SBB060378 [1,0,0,0,0,0|3,0,0]=4 58 B8R0.4 CCOCCOCCO SBB060178 [1,0,0,0,0,0|2,0,1]=4 59 B8R0.4 CCSCCOCCO SBB061065 [1,0,0,0,0,0|2,0,1]=4 60 B8R0.4 COCCOCCCN SBB061669 [1,0,0,0,0,0|3,0,0]=4 61 B8R0.4 C\C=C\CSCCCC SBB061594 [1,0,0,0,0,0|2,0,1]=4 62 B8R0.4 N#CCCCCCCBr SBB068343 [1,0,0,0,0,0|2,0,1]=4 63 B8R0.4 NCCCCCCCN SBB058724 [1,0,0,0,0,0|2,0,0]=3 64 B8R0.4 NCCCNCCCN SBB059777 [1,0,0,0,0,0|3,0,0]=4 65 B8R0.4 OCCCCCCCBr SBB061558 [1,0,0,0,0,0|1,0,1]=3 66 B10R0.4 CCCCCCCCB(O)O SBB071319 [0,1,0,0,0,0|1,0,1]=3 67 B10R0.4 CCCCCCCCC(=O)Cl SBB060014 [0,1,0,0,0,0|0,0,0]=1 68 B10R0.4 CCCCCCCCC(=O)O SBB058693 [0,1,0,0,0,0|0,0,0]=1 69 B10R0.4 CCCCCCCCC(N)=O SBB061053 [0,1,0,0,0,0|0,0,0]=1 70 B10R0.4 CCCCCCCCN(C)C SBB059991 [0,1,0,0,0,0|2,0,0]=3 71 B10R0.4 CCCCCCCNC(N)=S SBB017692 [0,1,0,0,0,0|1,1,0]=3 72 B10R0.4 CCCCCCCOC(C)=O SBB060307 [0,1,0,0,0,0|1,0,0]=2 73 B10R0.4 CCCCCCNCC(C)O SBB059797 [0,1,0,0,0,0|1,0,2]=4 74 B10R0.4 CCCCOCCOC(C)=O SBB061001 [0,1,0,0,0,0|2,0,0]=3 75 B10R0.4 CCCCSCCSC(=N)N SBB013617 [0,1,0,0,0,0|3,0,0]=4 76 B10R0.4 OC(=O)CCCCCCCN SBB006735 [0,1,0,0,0,0|1,0,0]=2 77 B10R0.4 [NH2+]=C(N)SCCCCCCC SBB056871 [0,1,0,0,0,0|2,0,0]=3 78 B10R0.71 C=CCCCCCCCCBr SBB059351 [0,1,0,0,0,0|1,0,0]=2 79 B10R0.71 C=CCCCCCCCCC SBB009051 [0,1,0,0,0,0|1,0,0]=2 80 B10R0.71 CCCCC#CCCCCO SBB008895 [0,1,0,0,0,0|0,0,3]=4 81 B10R0.71 CCCCCCC#CCCO SBB008896 [0,1,0,0,0,0|0,0,3]=4 82 B10R0.71 CCCCCCCC#CCO SBB008898 [0,1,0,0,0,0|0,0,3]=4 83 B10R0.71 CCCCCCCCCC=O SBB058676 [0,1,0,0,0,0|0,0,0]=1 84 B10R0.71 CCCCCCCCCCBr SBB008838 [0,1,0,0,0,0|1,0,1]=3 85 B10R0.71 CCCCCCCCCCCl SBB059957 [0,1,0,0,0,0|1,0,1]=3 86 B10R0.71 CCCCCCCCCCF SBB087464 [0,1,0,0,0,0|1,0,1]=3 87 B10R0.71 CCCCCCCCCCO SBB059908 [0,1,0,0,0,0|0,0,2]=3 88 B10R0.71 CCCCCCCCCNC SBB059836 [0,1,0,0,0,0|1,0,1]=3 89 B10R0.71 CCCCCCCCN=C=O SBB068604 [0,1,0,0,0,0|0,0,1]=2 90 B10R0.71 CCCCCCCCN=C=S SBB058874 [0,1,0,0,0,0|0,1,1]=3 91 B10R0.71 CCCCCCCCNC=O SBB061176 [0,1,0,0,0,0|0,0,0]=1 92 B10R0.71 CCCCCCCCOCC SBB061155 [0,1,0,0,0,0|1,0,1]=3 93 B10R0.71 CCCCCCCOCCCl SBB060219 [0,1,0,0,0,0|1,0,1]=3 94 B10R0.71 CCCCCCCOCCO SBB060174 [0,1,0,0,0,0|0,0,2]=3 95 B10R0.71 CCCCCCCSCCO SBB019264 [0,1,0,0,0,0|0,0,2]=3 96 B10R0.71 CCCCCCNCCCC SBB059766 [0,1,0,0,0,0|1,0,1]=3 97 B10R0.71 CCCCCSCCCCC SBB060112 [0,1,0,0,0,0|1,0,1]=3 98 B10R0.71 CCCCC\C=C\C=C\C=O SBB066368 [0,1,0,0,0,0|0,0,3]=4 99 B10R0.71 CCCCNCCOCCO SBB059813 [0,1,0,0,0,0|1,0,2]=4 100 B10R0.71 CCCCOCCOCCCl SBB059967 [0,1,0,0,0,0|2,0,1]=4 101 B10R0.71 CCCCOCCOCCO SBB059921 [0,1,0,0,0,0|1,0,2]=4 102 B10R0.71 CCCCOCCSCCO SBB061080 [0,1,0,0,0,0|1,0,2]=4 103 B10R0.71 CCCCSCCOCCO SBB056691 [0,1,0,0,0,0|1,0,2]=4 104 B10R0.71 CCCC\C=C\CCCCO SBB008885 [0,1,0,0,0,0|0,0,3]=4 105 B10R0.71 ClCCCCOCCCCCl SBB070766 [0,1,0,0,0,0|2,0,1]=4 106 B10R0.71 N#CCCCCCCCC#N SBB069581 [0,1,0,0,0,0|1,0,2]=4 107 B10R0.71 NCCCCCCCCCN SBB058794 [0,1,0,0,0,0|1,0,1]=3 108 B10R0.71 OCCCCCCCCCO SBB008482 [0,1,0,0,0,0|0,0,2]=3 109 B10R0.71 SCCCCCCCCCS SBB066560 [0,1,0,0,0,0|0,1,1]=3 110 B10R0.71 [NH2+](CCCC)CCCCCC SBB061637 [0,1,0,0,0,0|1,0,1]=3 111 B10R0.74 CCCCCCCC(=O)NN SBB056838 [0,1,0,0,0,0|2,0,1]=4 112 B10R0.74 CCCCCCCC(=O)OC SBB060592 [0,1,0,0,0,0|2,0,1]=4 113 B10R0.74 CCCCCCCC(C)C=O SBB061221 [0,1,0,0,0,0|0,0,0]=1 114 B10R1.4 C=CCC1CCCCC1=O SBB006544 [0,0,0,1,0,0|0,0,2]=3 115 B10R1.4 CC1CCCCN1CCN SBB017916 [0,0,0,1,0,0|2,0,1]=4 116 B10R1.17 C#CCNC1CCCCC1 SBB010271 [0,0,0,1,0,0|2,0,1]=4 117 B10R1.17 CCCCN1CCCCC1 SBB061043 [0,0,0,1,0,0|2,0,1]=4 118 B10R1.17 ClCCCN1CCCCC1 SBB056101 [0,0,0,1,0,0|2,0,1]=4 119 B10R1.17 N#CCCN1CCCCC1 SBB030489 [0,0,0,1,0,0|2,0,1]=4 120 B10R1.17 N(CC=C)C1CCCCC1 SBB004174 [0,0,0,1,0,0|2,0,0]=3 121 B10R1.17 NCCCN1CCCCC1 SBB010073 [0,0,0,1,0,0|2,0,1]=4 122 B10R1.17 OCCCC1CCCCC1 SBB058808 [0,0,0,1,0,0|0,0,2]=3 123 B10R1.17 OCCCN1CCCCC1 SBB072687 [0,0,0,1,0,0|1,0,2]=4 124 B10R1.17 OCCNC1CCCCC1 SBB007725 [0,0,0,1,0,0|1,0,2]=4 125 B10R1.19 C=CN1CCCCCC1=O SBB056203 [0,0,0,1,0,0|1,0,2]=4 126 B10R1.19 O=C1CCCCCN1CO SBB001697 [0,0,0,1,0,0|2,0,0]=3 127 B10R1.21 CCCCCC1OCCO1 SBB060997 [0,0,0,1,0,0|1,0,2]=4 128 B10R1.21 CCCCNC1CCCC1 SBB080103 [0,0,0,1,0,0|2,0,1]=4 129 B10R1.21 CCCNCC1CCCO1 SBB010297 [0,0,0,1,0,0|1,0,2]=4 130 B10R1.21 N#CCCCN1CCCC1 SBB047992 [0,0,0,1,0,0|2,0,1]=4 131 B10R1.21 NCCCCN1CCCC1 SBB010289 [0,0,0,1,0,0|2,0,1]=4 132 B10R1.29 O=C1CCCN1CCCO SBB056162 [0,0,0,1,0,0|2,0,0]=3 133 B10R1.78 O=C1CCCCCCCN1 SBB058438 [0,0,0,1,0,0|1,0,0]=2 134 B10R1.85 CCCC1OCCCCO1 SBB060980 [0,0,0,1,0,0|1,0,2]=4 135 B10R1.85 ClCCN1CCCCCC1 SBB054974 [0,0,0,1,0,0|2,0,1]=4 136 B10R1.85 N#CCN1CCCCCC1 SBB047153 [0,0,0,1,0,0|2,0,1]=4 137 B10R1.85 NCCN1CCCCCC1 SBB046553 [0,0,0,1,0,0|2,0,1]=4 138 B10R1.85 OCCN1CCCCCC1 SBB005844 [0,0,0,1,0,0|1,0,2]=4 139 B10R1.161 O=CC1CCCCCCC1 SBB059655 [0,0,0,1,0,0|0,0,0]=1 140 B10R1.161 OCC1CCCCCCC1 SBB051438 [0,0,0,1,0,0|0,0,2]=3 141 B7R0.1 BrCCCCCCBr SBB060205 [2,0,0,0,0,0|2,0,0]=4 142 B7R0.1 C=CCCCCCC SBB059884 [2,0,0,0,0,0|0,0,1]=3 143 B7R0.1 C=CCSCCCC SBB058522 [2,0,0,0,0,0|1,0,1]=4 144 B7R0.1 CCCCCCC#N SBB060052 [2,0,0,0,0,0|1,0,1]=4 145 B7R0.1 CCCCCCCBr SBB059936 [2,0,0,0,0,0|1,0,0]=3 146 B7R0.1 CCCCCCCCl SBB059954 [2,0,0,0,0,0|1,0,0]=3 147 B7R0.1 CCCCCCCN SBB059985 [2,0,0,0,0,0|1,0,0]=3 148 B7R0.1 CCCCCCOC SBB061157 [2,0,0,0,0,0|1,0,0]=3 149 B7R0.1 CCCCCOC=O SBB060301 [2,0,0,0,0,0|1,0,0]=3 150 B7R0.1 CCCCNCCC SBB059822 [2,0,0,0,0,0|1,0,0]=3 151 B7R0.1 CCCCOCCBr SBB007731 [2,0,0,0,0,0|2,0,0]=4 152 B7R0.1 CCCCOCCCl SBB059964 [2,0,0,0,0,0|2,0,0]=4 153 B7R0.1 CCCCOCCO SBB059918 [2,0,0,0,0,0|1,0,1]=4 154 B7R0.1 CCCCSCCN SBB072659 [2,0,0,0,0,0|2,0,0]=4 155 B7R0.1 CCCCSCCO SBB013616 [2,0,0,0,0,0|1,0,1]=4 156 B7R0.1 CCCCSCCS SBB057435 [2,0,0,0,0,0|1,1,0]=4 157 B7R0.1 CCCOCCCN SBB056585 [2,0,0,0,0,0|2,0,0]=4 158 B7R0.1 CCCSSCCC SBB058501 [2,0,0,0,0,0|2,0,0]=4 159 B7R0.1 CCNCCCCO SBB052126 [2,0,0,0,0,0|1,0,1]=4 160 B7R0.1 CCNCCNCC SBB072869 [2,0,0,0,0,0|2,0,0]=4 161 B7R0.1 C\C=C\CCCCC SBB059885 [2,0,0,0,0,0|0,0,2]=4 162 B7R0.1 ClCCCCCCCl SBB060213 [2,0,0,0,0,0|2,0,0]=4 163 B7R0.1 NCCCCCCN SBB059999 [2,0,0,0,0,0|2,0,0]=4 164 B7R0.1 OCCCCCCBr SBB054752 [2,0,0,0,0,0|1,0,1]=4 165 B7R0.1 OCCCCCCCl SBB060188 [2,0,0,0,0,0|1,0,1]=4 166 B7R0.1 OCCCCCCN SBB006584 [2,0,0,0,0,0|1,0,1]=4 167 B7R0.1 OCCCCCCO SBB059915 [2,0,0,0,0,0|1,0,1]=4 168 B7R0.1 OCCCCCCS SBB058615 [2,0,0,0,0,0|1,0,1]=4 169 B9R0.2 CCCCCCCC(=O)Cl SBB060013 [1,1,0,0,0,0|0,0,0]=2 170 B9R0.2 CCCCCCCC(=O)O SBB060020 [1,1,0,0,0,0|0,0,0]=2 171 B9R0.2 CCCCCCCC(C)=O SBB061540 [1,1,0,0,0,0|0,0,0]=2 172 B9R0.2 CCCCCCCC(C)O SBB008521 [1,1,0,0,0,0|0,0,1]=3 173 B9R0.2 CCCCCCCC(N)=O SBB061055 [1,1,0,0,0,0|0,0,0]=2 174 B9R0.2 CCCCCCCN(C)C SBB061364 [1,1,0,0,0,0|1,0,1]=4 175 B9R0.2 CCCCCCNC(N)=S SBB028342 [1,1,0,0,0,0|1,1,0]=4 176 B9R0.2 CCCCCCOC(C)=O SBB060306 [1,1,0,0,0,0|1,0,0]=3 177 B9R0.2 CCCCSCCC(=O)O SBB001705 [1,1,0,0,0,0|1,0,0]=3 178 B9R0.2 COCCNCCC(N)=O SBB116772 [1,1,0,0,0,0|2,0,0]=4 179 B9R0.2 NCCCCCCC(=O)O SBB072673 [1,1,0,0,0,0|1,0,0]=3 180 B9R0.2 O=C(O)CCCCCCO SBB059715 [1,1,0,0,0,0|1,0,0]=3 181 B9R0.2 [NH2+]=C(N)SCCCCCC SBB060417 [1,1,0,0,0,0|2,0,0]=4 182 B9R0.5 CCCCCC(=O)CCC SBB005828 [1,1,0,0,0,0|0,0,2]=4 183 B9R0.18 CCCCC(=O)CCCC SBB060073 [1,1,0,0,0,0|0,0,2]=4 184 B9R0.18 CCCCN(C)CCCC SBB061560 [1,1,0,0,0,0|1,0,1]=4 185 B9R0.18 CCCCS(=O)CCCC SBB060669 [1,1,0,0,0,0|1,0,1]=4 186 B9R0.46 CCCCCCC(=O)CC SBB007744 [1,1,0,0,0,0|0,0,2]=4 187 B9R0.46 CCCCCCC(Cl)CCl SBB059980 [1,1,0,0,0,0|1,0,0]=3 188 B9R0.46 CCCCOCC(O)CC SBB061149 [1,1,0,0,0,0|1,0,1]=4 189 B9R0.46 CCCCOCC(O)CCl SBB059972 [1,1,0,0,0,0|2,0,0]=4 190 B9R0.46 CCCCOCC(O)CO SBB060185 [1,1,0,0,0,0|1,0,1]=4 191 B11R0.81 CCCCCCC(C)OCCCl SBB061537 [0,2,0,0,0,0|1,0,1]=4 192 B11R0.81 CCCCCCC(C)OCCO SBB061589 [0,2,0,0,0,0|0,0,2]=4 193 B11R0.176 CCCC(=O)OCCCC(C)=O SBB017104 [0,2,0,0,0,0|1,0,1]=4 194 B11R0.176 CCOC(=O)CCCCC(=O)O SBB065980 [0,2,0,0,0,0|1,0,1]=4 195 B11R0.30 CC(=O)NCCCCCC(=O)O SBB065849 [0,2,0,0,0,0|1,0,1]=4 196 B11R0.30 CC(C)CCCCCCC(=O)O SBB088692 [0,2,0,0,0,0|0,0,0]=2 197 B11R0.30 O=C(O)CCCCCCC(=O)O SBB060278 [0,2,0,0,0,0|1,0,1]=4 198 B11R0.40 C=CS(=O)CCCCCCCC SBB013614 [0,2,0,0,0,0|1,0,0]=3 199 B11R0.40 CCCCCCC#CC(=O)OC SBB088197 [0,2,0,0,0,0|0,0,2]=4 200 B11R0.40 CCCCCCCCC(=O)NN SBB030320 [0,2,0,0,0,0|0,0,0]=2 201 B11R0.40 CCCCCCCCC(=O)OC SBB060593 [0,2,0,0,0,0|0,0,0]=2 202 B11R0.40 CCCCCCCCC(Br)CBr SBB060685 [0,2,0,0,0,0|1,0,1]=4 203 B11R0.40 CCCCCCCCC(Cl)CCl SBB060507 [0,2,0,0,0,0|1,0,1]=4 204 B11R0.40 CCCCCCCOC(=O)CC SBB060313 [0,2,0,0,0,0|1,0,0]=3 205 B11R0.40 CCCCCCCOC(=O)CCl SBB061233 [0,2,0,0,0,0|1,0,0]=3 206 B11R0.40 CCCCCCCOC(=O)CS SBB057443 [0,2,0,0,0,0|1,0,0]=3 207 B11R0.40 CCCCCCOCC(O)CCl SBB059973 [0,2,0,0,0,0|1,0,1]=4 208 B11R0.40 CCCCCCOCC(O)CO SBB060186 [0,2,0,0,0,0|0,0,2]=4 209 B11R0.148 CCCCCCCCCC(=O)Cl SBB060015 [0,2,0,0,0,0|0,0,0]=2 210 B11R0.148 CCCCCCCCCC(=O)O SBB060022 [0,2,0,0,0,0|0,0,0]=2 211 B11R0.148 CCCCCCCCCC(C)=O SBB060389 [0,2,0,0,0,0|0,0,0]=2 212 B11R0.148 CCCCCCCCCC(N)=O SBB061052 [0,2,0,0,0,0|0,0,0]=2 213 B11R0.148 CCCCCCCCOC(C)=O SBB060585 [0,2,0,0,0,0|0,0,0]=2 214 B11R0.148 CCCCSCCCCC(=O)O SBB019267 [0,2,0,0,0,0|0,0,0]=2 215 B11R0.148 CCOCCOCCOC(C)=O SBB061099 [0,2,0,0,0,0|2,0,0]=4 216 B11R0.159 CCCCCCCC[N+](C)(C)C SBB060103 [0,2,0,0,0,0|2,0,0]=4 217 B11R0.3 C#CCCCCCCCCCO SBB009008 [0,2,0,0,0,0|0,0,2]=4 218 B11R0.3 C=CCCCCCCCCCBr SBB059242 [0,2,0,0,0,0|1,0,0]=3 219 B11R0.3 C=CCCCCCCCCCC SBB059886 [0,2,0,0,0,0|1,0,0]=3 220 B11R0.3 C=CCCCCCCCCCO SBB009050 [0,2,0,0,0,0|1,0,0]=3 221 B11R0.3 CCCCCCCCCCC#N SBB060054 [0,2,0,0,0,0|1,0,1]=4 222 B11R0.3 CCCCCCCCCCC=O SBB059873 [0,2,0,0,0,0|0,0,0]=2 223 B11R0.3 CCCCCCCCCCCBr SBB059940 [0,2,0,0,0,0|1,0,1]=4 224 B11R0.3 CCCCCCCCCCCCl SBB059958 [0,2,0,0,0,0|1,0,1]=4 225 B11R0.3 CCCCCCCCCCCI SBB061359 [0,2,0,0,0,0|1,0,1]=4 226 B11R0.3 CCCCCCCCCCCO SBB059909 [0,2,0,0,0,0|0,0,2]=4 227 B11R0.3 CCCCCCCCCCNC SBB059819 [0,2,0,0,0,0|1,0,1]=4 228 B11R0.3 CCCCCCCCCOC=O SBB060304 [0,2,0,0,0,0|0,0,0]=2 229 B11R0.3 CCCCCCCCNCCC SBB059839 [0,2,0,0,0,0|1,0,1]=4 230 B11R0.3 CCCCCCCCNCCO SBB056741 [0,2,0,0,0,0|0,0,2]=4 231 B11R0.3 CCCCCCCCOCCCl SBB060220 [0,2,0,0,0,0|1,0,1]=4 232 B11R0.3 CCCCCCCCOCCN SBB071652 [0,2,0,0,0,0|1,0,1]=4 233 B11R0.3 CCCCCCCCOCCO SBB059919 [0,2,0,0,0,0|0,0,2]=4 234 B11R0.3 CCCCCCCCSCCO SBB013612 [0,2,0,0,0,0|0,0,2]=4 235 B11R0.3 CCCCCCCCSCCS SBB061350 [0,2,0,0,0,0|0,1,1]=4 236 B11R0.3 CCCCCCCNCCCC SBB059767 [0,2,0,0,0,0|1,0,1]=4 237 B11R0.3 CCCCCC\C=C\C=C\C=O SBB068342 [0,2,0,0,0,0|0,0,2]=4 238 B11R0.3 CCCCCSCCOCCO SBB060445 [0,2,0,0,0,0|0,0,2]=4 239 B11R0.3 CCCCNCCOCCCC SBB056702 [0,2,0,0,0,0|1,0,1]=4 240 B11R0.3 CCCCSCCSCCCC SBB061309 [0,2,0,0,0,0|1,0,1]=4 241 B11R0.3 CCSCCCCCCSCC SBB057107 [0,2,0,0,0,0|1,0,1]=4 242 B11R0.3 ClCCCCCCCCCCCl SBB061063 [0,2,0,0,0,0|1,0,1]=4 243 B11R0.3 OCCCCCCCCCCBr SBB059278 [0,2,0,0,0,0|0,0,2]=4 244 B11R0.3 OCCCCCCCCCCO SBB008880 [0,2,0,0,0,0|0,0,2]=4 245 B11R0.3 SCCCCCCCCCCS SBB066557 [0,2,0,0,0,0|0,1,1]=4 246 B11R0.3 [NH2+](CCCC)CCCCCCC SBB061641 [0,2,0,0,0,0|1,0,1]=4 247 B9R1.5 CN1CCCCCC1=O SBB056535 [1,0,0,1,0,0|1,0,0]=3 248 B9R1.5 NC1CCCCNC1=O SBB056282 [1,0,0,1,0,0|2,0,0]=4 249 B9R1.5 O=C1CCCCCN1Br SBB057855 [1,0,0,1,0,0|2,0,0]=4 250 B9R1.8 BrCCC1CCCCN1 SBB018737 [1,0,0,1,0,0|2,0,0]=4 251 B9R1.8 C(=O)NC1CCCCC1 SBB007682 [1,0,0,1,0,0|1,0,0]=3 252 B9R1.8 CCCC1CCCCN1 SBB017578 [1,0,0,1,0,0|1,0,0]=3 253 B9R1.8 CCCC1CCCCN1 SBB050937 [1,0,0,1,0,0|1,0,0]=3 254 B9R1.8 CCCC1OCCCO1 SBB060994 [1,0,0,1,0,0|1,0,1]=4 255 B9R1.8 CCCN1CCCCC1 SBB061042 [1,0,0,1,0,0|1,0,1]=4 256 B9R1.8 ClCCN1CCCCC1 SBB056102 [1,0,0,1,0,0|2,0,0]=4 257 B9R1.8 NCCC1=CCCCC1 SBB058805 [1,0,0,1,0,0|1,0,1]=4 258 B9R1.8 NCCC1CCCCC1 SBB051424 [1,0,0,1,0,0|1,0,0]=3 259 B9R1.8 NCCC1CCCCO1 SBB072556 [1,0,0,1,0,0|1,0,1]=4 260 B9R1.8 NCCC1CCCOC1 SBB050548 [1,0,0,1,0,0|2,0,0]=4 261 B9R1.8 NCCN1CCCCC1 SBB058602 [1,0,0,1,0,0|2,0,0]=4 262 B9R1.8 O=C=NC1CCCCC1 SBB060893 [1,0,0,1,0,0|1,0,1]=4 263 B9R1.8 OCCC1CCCCN1 SBB027305 [1,0,0,1,0,0|1,0,1]=4 264 B9R1.8 OCCC1CCNCC1 SBB027320 [1,0,0,1,0,0|1,0,1]=4 265 B9R1.8 OCCN1CCCCC1 SBB040888 [1,0,0,1,0,0|1,0,1]=4 266 B9R1.12 CCCCN1CCCC1 SBB061041 [1,0,0,1,0,0|1,0,1]=4 267 B9R1.12 CCCNC1CCCC1 SBB080044 [1,0,0,1,0,0|1,0,1]=4 268 B9R1.12 CCNCC1CCCO1 SBB080022 [1,0,0,1,0,0|1,0,1]=4 269 B9R1.12 NCCCC1CCOC1 SBB012984 [1,0,0,1,0,0|2,0,0]=4 270 B9R1.12 NCCCN1CCCC1 SBB005799 [1,0,0,1,0,0|2,0,0]=4 271 B9R1.14 CCN1CCCC1CN SBB048031 [1,0,0,1,0,0|2,0,0]=4 272 B9R1.14 CCN1CCCC1CO SBB108758 [1,0,0,1,0,0|1,0,1]=4 273 B9R1.15 CCC1CCCOC1=O SBB061552 [1,0,0,1,0,0|1,0,0]=3 274 B9R1.15 CCC1NCCNC1=O SBB010255 [1,0,0,1,0,0|2,0,0]=4 275 B9R1.15 CN1CCCCC1CBr SBB018986 [1,0,0,1,0,0|2,0,0]=4 276 B9R1.15 CN1CCCCC1CCl SBB054961 [1,0,0,1,0,0|2,0,0]=4 277 B9R1.15 CN1CCCCC1CN SBB085728 [1,0,0,1,0,0|2,0,0]=4 278 B9R1.15 CN1CCCCC1CO SBB062716 [1,0,0,1,0,0|1,0,1]=4 279 B9R1.15 CN[C@H]1CCCC[C@@H]1O SBB302548 [1,0,0,1,0,0|1,0,1]=4 280 B9R1.15 CN[C@H]1CCCC[C@H]1O SBB302547 [1,0,0,1,0,0|1,0,1]=4 281 B9R1.15 COC1CCCNC1=O SBB056098 [1,0,0,1,0,0|2,0,0]=4 282 B9R1.15 O=C1CCCCC1CO SBB054864 [1,0,0,1,0,0|1,0,0]=3 283 B9R1.33 CN1CCCC1CCO SBB056164 [1,0,0,1,0,0|1,0,1]=4 284 B9R1.33 NCCN1CCCC1=O SBB300961 [1,0,0,1,0,0|2,0,0]=4 285 B9R1.33 O=C1CCCN1CCCl SBB010314 [1,0,0,1,0,0|2,0,0]=4 286 B9R1.50 NC1CCCCCCC1 SBB004245 [1,0,0,1,0,0|1,0,0]=3 287 B9R1.50 O=C1CCCCCCC1 SBB008888 [1,0,0,1,0,0|0,0,0]=2 288 B9R1.50 OC1CCCCCCC1 SBB058905 [1,0,0,1,0,0|0,0,1]=3 289 B9R1.83 CCCCCCC1CO1 SBB017138 [1,0,0,1,0,0|0,0,1]=3 290 B9R1.83 CCCCOCC1CO1 SBB060096 [1,0,0,1,0,0|1,0,1]=4 291 B9R1.89 CCN1CCCCCC1 SBB056278 [1,0,0,1,0,0|1,0,1]=4 292 B9R1.89 N#CC1CCCCCC1 SBB008917 [1,0,0,1,0,0|1,0,1]=4 293 B9R1.89 O=CC1CCCCCC1 SBB059644 [1,0,0,1,0,0|0,0,0]=2 294 B9R1.89 O=CN1CCCNCC1 SBB040967 [1,0,0,1,0,0|2,0,0]=4 295 B11R1.4 CCCCCCC1OCCO1 SBB060884 [0,1,0,1,0,0|0,0,2]=4 296 B11R1.16 CCCC(O)C1CCCCC1 SBB071419 [0,1,0,1,0,0|1,0,1]=4 297 B11R1.199 CCOC(=O)C1CCCC1=O SBB048123 [0,1,0,1,0,0|1,0,1]=4 298 B11R1.86 CC(=O)CN1CCCCC1C SBB046421 [0,1,0,1,0,0|1,0,0]=3 299 B11R1.86 CC(=O)NC1CCCC[C@H]1Cl SBB056532 [0,1,0,1,0,0|2,0,0]=4 300 B11R1.86 CC1CCCCN1CC(=O)O SBB046596 [0,1,0,1,0,0|1,0,0]=3 301 B11R1.86 CN(C)CC1CCCCC1=O SBB052510 [0,1,0,1,0,0|1,0,0]=3 302 B11R1.86 CN(C)CC1CCCCC1=O SBB062890 [0,1,0,1,0,0|1,0,0]=3 303 B11R1.86 CN1CCCCC1CC(=O)O SBB010391 [0,1,0,1,0,0|1,0,0]=3 304 B11R1.91 CC(=O)NCC1CCNCC1 SBB047898 [0,1,0,1,0,0|2,0,0]=4 305 B11R1.91 NC(=O)CCN1CCNCC1 SBB014724 [0,1,0,1,0,0|2,0,0]=4 306 B11R1.91 NC(=S)CCN1CCCCC1 SBB024089 [0,1,0,1,0,0|1,1,0]=4 307 B11R1.91 O=C(Cl)CCC1CCCCC1 SBB005478 [0,1,0,1,0,0|0,0,0]=2 308 B11R1.91 O=C(O)CCC1CCCCN1 SBB018825 [0,1,0,1,0,0|1,0,0]=3 309 B11R1.91 O=C(O)CCC1CCCNC1 SBB014718 [0,1,0,1,0,0|1,0,0]=3 310 B11R1.91 O=C(O)CCN1CCNCC1 SBB010190 [0,1,0,1,0,0|2,0,0]=4 311 B11R1.91 O=C(O)CCN1CCOCC1 SBB010411 [0,1,0,1,0,0|2,0,0]=4 312 B11R1.91 O=C(O)CCN1CCOCC1 SBB091930 [0,1,0,1,0,0|2,0,0]=4 313 B11R1.99 CCCCCCCCC1CO1 SBB017139 [0,1,0,1,0,0|0,0,2]=4 314 B11R1.99 CCCCCCOCC1CO1 SBB060098 [0,1,0,1,0,0|0,0,2]=4 315 B11R1.143 CC(=O)N1CCCCCC1=O SBB008053 [0,1,0,1,0,0|1,0,1]=4 316 B11R1.172 O=C(O)CCCN1CCCC1 SBB077224 [0,1,0,1,0,0|1,0,0]=3 317 B11R1.172 O=C(O)COCC1CCCO1 SBB010420 [0,1,0,1,0,0|2,0,0]=4 318 B11R1.742 O=C(O)CN1CCCCCC1 SBB010389 [0,1,0,1,0,0|1,0,0]=3 319 B11R1.17 N#CCCC1CCCCC1=O SBB005853 [0,1,0,1,0,0|0,0,1]=3 320 B11R1.28 CCCCNC1CCCCC1 SBB059770 [0,1,0,1,0,0|1,0,1]=4 321 B11R1.28 N#CCCCN1CCCCC1 SBB072940 [0,1,0,1,0,0|1,0,1]=4 322 B11R1.28 N#CCCNC1CCCCC1 SBB017653 [0,1,0,1,0,0|1,0,1]=4 323 B11R1.28 NCCCCN1CCCCC1 SBB017939 [0,1,0,1,0,0|1,0,1]=4 324 B11R1.28 NCCCNC1CCCCC1 SBB028322 [0,1,0,1,0,0|1,0,1]=4 325 B11R1.41 CCC1CCCCN1CCN SBB044880 [0,1,0,1,0,0|1,0,1]=4 326 B11R1.203 N#CCCN1CCCCCC1 SBB072685 [0,1,0,1,0,0|1,0,1]=4 327 B11R1.203 N#CCCN1CCCCCC1 SBB116751 [0,1,0,1,0,0|1,0,1]=4 328 B11R1.203 NCCCN1CCCCCC1 SBB044879 [0,1,0,1,0,0|1,0,1]=4 329 B11R1.1 [C@H]1(N)CC[C@@H](CCCC)CC1 SBB059718 [0,1,0,1,0,0|1,0,1]=4 330 B11R1.1 [C@H]1(O)CC[C@H](CCCC)CC1 SBB059708 [0,1,0,1,0,0|1,0,1]=4 331 B11R1.40 CNC(C)CC1CCCCC1 SBB050337 [0,1,0,1,0,0|2,0,0]=4 332 B11R1.40 NC(CO)CC1CCCCC1 SBB057172 [0,1,0,1,0,0|0,0,2]=4 333 B11R1.222 CCC(=O)C1CCCCC1=O SBB056586 [0,1,0,1,0,0|0,0,1]=3 334 B11R2.10 O=C1OC2CCCCC2O1 SBB002057 [0,0,0,2,0,0|2,0,0]=4 335 B11R2.20 C1CCC2CCCCC2C1 SBB060620 [0,0,0,2,0,0|1,0,1]=4 336 B11R2.20 N1CCCC2CCCCC21 SBB027319 [0,0,0,2,0,0|1,0,1]=4 337 B11R2.20 [C@H]12CCCC[C@H]1CNCC2 SBB056022 [0,0,0,2,0,0|1,0,1]=4 338 B11R2.106 O=C1CCNC2CCCC12 SBB002318 [0,0,0,2,0,0|1,0,0]=3