0 B9R0.2 CC(=O)OCCOCCCl SBB060310 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.2 CCCCCCCC(=O)Cl SBB060013 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.2 CCCCCCCC(=O)O SBB060020 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.2 CCCCCCCC(C)=O SBB061540 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.2 CCCCCCCC(C)O SBB008521 [0,0,0,0,0,0|1,0,1]=2 5 B9R0.2 CCCCCCCC(N)=O SBB061055 [0,0,0,0,0,0|1,0,0]=1 6 B9R0.2 CCCCCCCN(C)C SBB061364 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.2 CCCCCCNC(N)=S SBB028342 [0,0,0,0,0,0|2,1,0]=3 8 B9R0.2 CCCCCCOC(C)=O SBB060306 [0,0,0,0,0,0|2,0,0]=2 9 B9R0.2 CCCCSCCC(=O)O SBB001705 [0,0,0,0,0,0|1,0,0]=1 10 B9R0.2 CCOCCOCC(C)O SBB061150 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.2 COCCNCCC(N)=O SBB116772 [0,0,0,0,0,0|3,0,0]=3 12 B9R0.2 NCCCCCCC(=O)O SBB072673 [0,0,0,0,0,0|1,0,0]=1 13 B9R0.2 O=C(O)CCCCCCO SBB059715 [0,0,0,0,0,0|1,0,0]=1 14 B9R0.2 [NH2+]=C(N)SCCCCCC SBB060417 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.4 C#CCCCCCCO SBB062745 [1,0,0,0,0,0|0,0,3]=4 16 B8R0.4 C=CCCCCCCC SBB060474 [1,0,0,0,0,0|1,0,0]=2 17 B8R0.4 CCCCC#CCCO SBB009106 [1,0,0,0,0,0|0,0,3]=4 18 B8R0.4 CCCCCC#CCO SBB009105 [1,0,0,0,0,0|0,0,3]=4 19 B8R0.4 CCCCCCCC#N SBB060053 [1,0,0,0,0,0|1,0,1]=3 20 B8R0.4 CCCCCCCC=O SBB059871 [1,0,0,0,0,0|0,0,0]=1 21 B8R0.4 CCCCCCCCBr SBB059937 [1,0,0,0,0,0|1,0,1]=3 22 B8R0.4 CCCCCCCCCl SBB059955 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.4 CCCCCCCCN SBB059986 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.4 CCCCCCCCO SBB059902 [1,0,0,0,0,0|0,0,1]=2 25 B8R0.4 CCCCCCCNC SBB059820 [1,0,0,0,0,0|2,0,0]=3 26 B8R0.4 CCCCCCN=C=O SBB058614 [1,0,0,0,0,0|1,0,1]=3 27 B8R0.4 CCCCCCN=C=S SBB061289 [1,0,0,0,0,0|1,1,1]=4 28 B8R0.4 CCCCCCNC=O SBB061175 [1,0,0,0,0,0|1,0,0]=2 29 B8R0.4 CCCCCCOC=O SBB060302 [1,0,0,0,0,0|1,0,0]=2 30 B8R0.4 CCCCCCSCC SBB061179 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.4 CCCCCNCCO SBB059826 [1,0,0,0,0,0|1,0,1]=3 32 B8R0.4 CCCCC\C=C\C=O SBB068337 [1,0,0,0,0,0|0,0,2]=3 33 B8R0.4 CCCCNCCC#N SBB017631 [1,0,0,0,0,0|2,0,1]=4 34 B8R0.4 CCCCNCCCC SBB059755 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.4 CCCCNCCOC SBB056732 [1,0,0,0,0,0|3,0,0]=4 36 B8R0.4 CCCCOCCC#N SBB058573 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.4 CCCCOCCCC SBB060059 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.4 CCCCOCCCN SBB061718 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.4 CCCCSCCCC SBB060667 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.4 CCOCCOCCO SBB060178 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.4 CCSCCOCCO SBB061065 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.4 C\C=C\CSCCCC SBB061594 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.4 N#CCCCCCCBr SBB068343 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.4 NCCCCCCCN SBB058724 [1,0,0,0,0,0|2,0,1]=4 45 B8R0.4 OCCCCCCCBr SBB061558 [1,0,0,0,0,0|1,0,1]=3 46 B8R0.7 C#CCCCCC(=O)O SBB008797 [1,0,0,0,0,0|0,0,2]=3 47 B8R0.7 C=C(C)CSCCCC SBB061593 [1,0,0,0,0,0|3,0,0]=4 48 B8R0.7 CC(=O)OCCCCCl SBB059334 [1,0,0,0,0,0|3,0,0]=4 49 B8R0.7 CCCCCCC(=O)Cl SBB060012 [1,0,0,0,0,0|1,0,0]=2 50 B8R0.7 CCCCCCC(=O)O SBB053587 [1,0,0,0,0,0|0,0,0]=1 51 B8R0.7 CCCCCCC(C)=O SBB060387 [1,0,0,0,0,0|1,0,0]=2 52 B8R0.7 CCCCCCC(C)Br SBB060198 [1,0,0,0,0,0|2,0,1]=4 53 B8R0.7 CCCCCCC(C)N SBB028238 [1,0,0,0,0,0|2,0,1]=4 54 B8R0.7 CCCCCCC(C)O SBB059903 [1,0,0,0,0,0|1,0,1]=3 55 B8R0.7 CCCCCCN(C)C SBB059990 [1,0,0,0,0,0|3,0,0]=4 56 B8R0.7 CCCCCOC(C)=O SBB060027 [1,0,0,0,0,0|2,0,0]=3 57 B8R0.7 CCCCNCC(C)O SBB059782 [1,0,0,0,0,0|2,0,1]=4 58 B8R0.7 CCCCSCC(=O)O SBB061205 [1,0,0,0,0,0|1,0,0]=2 59 B8R0.7 CCCNCCC(N)=O SBB116773 [1,0,0,0,0,0|2,0,0]=3 60 B8R0.7 CCOCCOC(C)=O SBB061000 [1,0,0,0,0,0|3,0,0]=4 61 B8R0.7 COCCOCC(=O)O SBB008497 [1,0,0,0,0,0|2,0,0]=3 62 B8R0.7 N#CCCNCC(=O)O SBB005852 [1,0,0,0,0,0|2,0,1]=4 63 B8R0.7 NC(=O)CCNCCO SBB116776 [1,0,0,0,0,0|3,0,0]=4 64 B8R0.7 NCCCCCC(=O)O SBB015068 [1,0,0,0,0,0|1,0,0]=2 65 B8R0.7 O=C(O)CCCCCBr SBB065783 [1,0,0,0,0,0|1,0,0]=2 66 B8R0.7 O=C(O)CCNCCO SBB079386 [1,0,0,0,0,0|2,0,0]=3 67 B10R0.3 CCCC(S)CCOC(C)=O SBB056433 [0,1,0,0,0,0|2,0,0]=3 68 B10R0.3 CCOC(=O)CCCC(=O)Cl SBB058617 [0,1,0,0,0,0|2,0,1]=4 69 B10R0.4 CCCCCCCCB(O)O SBB071319 [0,1,0,0,0,0|1,0,1]=3 70 B10R0.4 CCCCCCCCC(=O)Cl SBB060014 [0,1,0,0,0,0|1,0,0]=2 71 B10R0.4 CCCCCCCCC(=O)O SBB058693 [0,1,0,0,0,0|0,0,0]=1 72 B10R0.4 CCCCCCCCC(N)=O SBB061053 [0,1,0,0,0,0|1,0,0]=2 73 B10R0.4 CCCCCCCCN(C)C SBB059991 [0,1,0,0,0,0|3,0,0]=4 74 B10R0.4 CCCCCCCNC(N)=S SBB017692 [0,1,0,0,0,0|1,1,0]=3 75 B10R0.4 CCCCCCCOC(C)=O SBB060307 [0,1,0,0,0,0|1,0,0]=2 76 B10R0.4 CCCCCCNCC(C)O SBB059797 [0,1,0,0,0,0|1,0,1]=3 77 B10R0.4 CCCCOCCOC(C)=O SBB061001 [0,1,0,0,0,0|2,0,0]=3 78 B10R0.4 CCCCSCCSC(=N)N SBB013617 [0,1,0,0,0,0|3,0,0]=4 79 B10R0.4 OC(=O)CCCCCCCN SBB006735 [0,1,0,0,0,0|0,0,0]=1 80 B10R0.4 [NH2+]=C(N)SCCCCCCC SBB056871 [0,1,0,0,0,0|2,0,0]=3 81 B10R0.22 CCCCCCCP(=O)(O)O SBB057478 [0,1,0,0,0,0|1,0,0]=2 82 B10R0.55 COC(=O)CCCCC(=O)O SBB065981 [0,1,0,0,0,0|1,0,1]=3 83 B10R0.74 CCCCCC#CC(=O)OC SBB009081 [0,1,0,0,0,0|0,0,2]=3 84 B10R0.74 CCCCCCCC(=O)NN SBB056838 [0,1,0,0,0,0|1,0,0]=2 85 B10R0.74 CCCCCCCC(=O)OC SBB060592 [0,1,0,0,0,0|0,0,0]=1 86 B10R0.74 CCCCCCCC(C)C=O SBB061221 [0,1,0,0,0,0|1,0,1]=3 87 B10R0.74 CCCCCCNC(=O)CCl SBB017392 [0,1,0,0,0,0|2,0,0]=3 88 B10R0.74 CCCCCCNC(=S)NN SBB017696 [0,1,0,0,0,0|2,1,0]=4 89 B10R0.74 CCCCCCOC(=O)CCl SBB061569 [0,1,0,0,0,0|2,0,0]=3 90 B10R0.74 CCCCCCOC(=O)CS SBB061229 [0,1,0,0,0,0|1,1,0]=3 91 B10R0.74 CCOCCCNC(=O)CCl SBB010645 [0,1,0,0,0,0|3,0,0]=4 92 B10R0.75 CCCCCCC(N)C(=O)O SBB058628 [0,1,0,0,0,0|0,0,0]=1 93 B10R0.78 CCCCC(C)CCC(=O)O SBB065822 [0,1,0,0,0,0|0,0,0]=1 94 B10R0.97 O=C(O)CCCCCC(=O)O SBB007898 [0,1,0,0,0,0|1,0,1]=3 95 B10R0.97 O=C(O)CCSCCC(=O)O SBB057445 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.10 CCCC1OCCC(C)O1 SBB060972 [0,0,0,1,0,0|2,0,1]=4 97 B10R1.18 CC(=O)CN1CCCCC1 SBB046418 [0,0,0,1,0,0|2,0,0]=3 98 B10R1.18 CC(=O)CN1CCOCC1 SBB046376 [0,0,0,1,0,0|3,0,0]=4 99 B10R1.18 CC(=O)NC1CCCCC1 SBB058211 [0,0,0,1,0,0|2,0,0]=3 100 B10R1.18 CC(=O)NC1CCCNC1 SBB047941 [0,0,0,1,0,0|3,0,0]=4 101 B10R1.18 CC(=O)OC1CCCCC1 SBB060309 [0,0,0,1,0,0|2,0,0]=3 102 B10R1.18 CC(O)CN1CCCCC1 SBB056526 [0,0,0,1,0,0|2,0,1]=4 103 B10R1.18 NC(=O)CN1CCOCC1 SBB086344 [0,0,0,1,0,0|3,0,0]=4 104 B10R1.18 NC(=O)NC1CCCCC1 SBB028268 [0,0,0,1,0,0|2,0,0]=3 105 B10R1.18 NC(=S)NC1CCCCC1 SBB017662 [0,0,0,1,0,0|2,1,0]=4 106 B10R1.18 O=C(Cl)CC1CCOCC1 SBB053661 [0,0,0,1,0,0|2,0,0]=3 107 B10R1.18 O=C(O)CC1=CCCCC1 SBB008386 [0,0,0,1,0,0|0,0,2]=3 108 B10R1.18 O=C(O)CC1CCCCC1 SBB058720 [0,0,0,1,0,0|0,0,0]=1 109 B10R1.18 O=C(O)CC1CCCCN1 SBB010294 [0,0,0,1,0,0|1,0,0]=2 110 B10R1.18 O=C(O)CC1CCCCO1 SBB002787 [0,0,0,1,0,0|1,0,0]=2 111 B10R1.18 O=C(O)CC1CCCOC1 SBB027192 [0,0,0,1,0,0|1,0,0]=2 112 B10R1.18 O=C(O)CC1CNCCN1 SBB053343 [0,0,0,1,0,0|2,0,0]=3 113 B10R1.18 O=C(O)CC1CNCCO1 SBB050892 [0,0,0,1,0,0|2,0,0]=3 114 B10R1.18 O=C(O)CN1CCCCC1 SBB014040 [0,0,0,1,0,0|1,0,0]=2 115 B10R1.18 O=C(O)CN1CCNCC1 SBB010118 [0,0,0,1,0,0|2,0,0]=3 116 B10R1.18 O=C(O)CN1CCOCC1 SBB010303 [0,0,0,1,0,0|2,0,0]=3 117 B10R1.39 CCN1CCCC1C(=O)O SBB046601 [0,0,0,1,0,0|1,0,0]=2 118 B10R1.61 CC(=O)C1CCCCC1=O SBB056190 [0,0,0,1,0,0|2,0,1]=4 119 B10R1.61 CN1CCCCC1C(=O)O SBB018690 [0,0,0,1,0,0|1,0,0]=2 120 B10R1.61 O=C(O)C1CCCNC1=O SBB108817 [0,0,0,1,0,0|2,0,1]=4 121 B10R1.64 O=C(O)CN1CCCC1=O SBB010292 [0,0,0,1,0,0|2,0,1]=4 122 B10R1.66 CC(=O)CCC1CCCO1 SBB017110 [0,0,0,1,0,0|2,0,0]=3 123 B10R1.66 CC(O)CCC1CCCO1 SBB001585 [0,0,0,1,0,0|2,0,1]=4 124 B10R1.66 O=C(Cl)CCC1CCCC1 SBB058619 [0,0,0,1,0,0|1,0,0]=2 125 B10R1.66 O=C(O)CCC1CCCC1 SBB040565 [0,0,0,1,0,0|0,0,0]=1 126 B10R1.66 O=C(O)CCC1CCCO1 SBB014220 [0,0,0,1,0,0|1,0,0]=2 127 B10R1.66 O=C(O)CCN1CCCC1 SBB046363 [0,0,0,1,0,0|1,0,0]=2 128 B10R1.78 O=C1CCCCCCCN1 SBB058438 [0,0,0,1,0,0|1,0,0]=2 129 B10R1.348 O=C(O)C1CCCCCC1 SBB008467 [0,0,0,1,0,0|0,0,0]=1 130 B7R0.1 BrCCCCCCBr SBB060205 [2,0,0,0,0,0|2,0,0]=4 131 B7R0.1 C=CCCCCCC SBB059884 [2,0,0,0,0,0|0,0,1]=3 132 B7R0.1 C=CCSCCCC SBB058522 [2,0,0,0,0,0|1,0,1]=4 133 B7R0.1 CCCC#CCCO SBB008799 [2,0,0,0,0,0|0,0,2]=4 134 B7R0.1 CCCCC#CCO SBB008796 [2,0,0,0,0,0|0,0,2]=4 135 B7R0.1 CCCCCCC#N SBB060052 [2,0,0,0,0,0|1,0,1]=4 136 B7R0.1 CCCCCCCBr SBB059936 [2,0,0,0,0,0|1,0,0]=3 137 B7R0.1 CCCCCCCCl SBB059954 [2,0,0,0,0,0|1,0,0]=3 138 B7R0.1 CCCCCCCN SBB059985 [2,0,0,0,0,0|1,0,0]=3 139 B7R0.1 CCCCCCOC SBB061157 [2,0,0,0,0,0|1,0,1]=4 140 B7R0.1 CCCCCOC=O SBB060301 [2,0,0,0,0,0|1,0,0]=3 141 B7R0.1 CCCCNCCC SBB059822 [2,0,0,0,0,0|1,0,1]=4 142 B7R0.1 CCCCOCCBr SBB007731 [2,0,0,0,0,0|2,0,0]=4 143 B7R0.1 CCCCOCCCl SBB059964 [2,0,0,0,0,0|2,0,0]=4 144 B7R0.1 CCCCOCCO SBB059918 [2,0,0,0,0,0|1,0,0]=3 145 B7R0.1 CCCCSCCN SBB072659 [2,0,0,0,0,0|2,0,0]=4 146 B7R0.1 CCCCSCCO SBB013616 [2,0,0,0,0,0|1,0,0]=3 147 B7R0.1 CCCCSCCS SBB057435 [2,0,0,0,0,0|1,1,0]=4 148 B7R0.1 CCCOCCCN SBB056585 [2,0,0,0,0,0|2,0,0]=4 149 B7R0.1 CCNCCCCO SBB052126 [2,0,0,0,0,0|1,0,0]=3 150 B7R0.1 COCCOCCO SBB059920 [2,0,0,0,0,0|2,0,0]=4 151 B7R0.1 COCCSCCO SBB061070 [2,0,0,0,0,0|2,0,0]=4 152 B7R0.1 C\C=C\CCCCC SBB059885 [2,0,0,0,0,0|1,0,1]=4 153 B7R0.1 ClCCCCCCCl SBB060213 [2,0,0,0,0,0|2,0,0]=4 154 B7R0.1 NCCCCCCN SBB059999 [2,0,0,0,0,0|2,0,0]=4 155 B7R0.1 NCCCNCCO SBB059810 [2,0,0,0,0,0|2,0,0]=4 156 B7R0.1 OCCCCCCBr SBB054752 [2,0,0,0,0,0|1,0,0]=3 157 B7R0.1 OCCCCCCCl SBB060188 [2,0,0,0,0,0|1,0,0]=3 158 B7R0.1 OCCCCCCN SBB006584 [2,0,0,0,0,0|1,0,0]=3 159 B7R0.1 OCCCCCCO SBB059915 [2,0,0,0,0,0|1,0,0]=3 160 B7R0.1 OCCCCCCS SBB058615 [2,0,0,0,0,0|1,0,0]=3 161 B7R0.4 C#CCCCC(=O)O SBB009090 [2,0,0,0,0,0|0,0,2]=4 162 B7R0.4 CCCC#CC(=O)O SBB009091 [2,0,0,0,0,0|0,0,2]=4 163 B7R0.4 CCCCCC(=O)Cl SBB060011 [2,0,0,0,0,0|1,0,0]=3 164 B7R0.4 CCCCCC(=O)O SBB053586 [2,0,0,0,0,0|0,0,0]=2 165 B7R0.4 CCCCCC(C)=O SBB061125 [2,0,0,0,0,0|1,0,0]=3 166 B7R0.4 CCCCCC(N)=O SBB061056 [2,0,0,0,0,0|1,0,0]=3 167 B7R0.4 CCCCOC(N)=O SBB060819 [2,0,0,0,0,0|2,0,0]=4 168 B7R0.4 CCC\C=C\C(=O)O SBB009088 [2,0,0,0,0,0|0,0,2]=4 169 B7R0.4 CCOCCC(=O)O SBB053607 [2,0,0,0,0,0|1,0,0]=3 170 B7R0.4 NCCCCC(=O)O SBB061559 [2,0,0,0,0,0|1,0,0]=3 171 B7R0.4 O=C(O)CCCCBr SBB061343 [2,0,0,0,0,0|1,0,0]=3 172 B7R0.4 O=C(O)CCCCCl SBB061215 [2,0,0,0,0,0|1,0,0]=3 173 B7R0.4 OC(=O)C\C=C/CC SBB006610 [2,0,0,0,0,0|0,0,2]=4 174 B9R0.45 BrCCCCCCCCBr SBB060805 [1,1,0,0,0,0|1,0,1]=4 175 B9R0.45 C#CCCCCCCCC SBB008883 [1,1,0,0,0,0|1,0,1]=4 176 B9R0.45 C(=O)\C=C\CCCCCC SBB006609 [1,1,0,0,0,0|0,0,1]=3 177 B9R0.45 C=CCCCCCCCC SBB058674 [1,1,0,0,0,0|1,0,0]=3 178 B9R0.45 CCCCCC#CCCO SBB009142 [1,1,0,0,0,0|0,0,2]=4 179 B9R0.45 CCCCCCC#CCO SBB009144 [1,1,0,0,0,0|0,0,2]=4 180 B9R0.45 CCCCCCCCC=O SBB059872 [1,1,0,0,0,0|0,0,0]=2 181 B9R0.45 CCCCCCCCCBr SBB059939 [1,1,0,0,0,0|1,0,1]=4 182 B9R0.45 CCCCCCCCCCl SBB059956 [1,1,0,0,0,0|1,0,1]=4 183 B9R0.45 CCCCCCCCCN SBB059987 [1,1,0,0,0,0|1,0,1]=4 184 B9R0.45 CCCCCCCCCO SBB059907 [1,1,0,0,0,0|0,0,1]=3 185 B9R0.45 CCCCCCCCOC SBB061156 [1,1,0,0,0,0|0,0,1]=3 186 B9R0.45 CCCCCCCOC=O SBB060303 [1,1,0,0,0,0|0,0,0]=2 187 B9R0.45 CCCCCCNCCN SBB058822 [1,1,0,0,0,0|1,0,1]=4 188 B9R0.45 CCCCCCNCCO SBB007879 [1,1,0,0,0,0|0,0,1]=3 189 B9R0.45 CCCCCCOCCCl SBB060218 [1,1,0,0,0,0|1,0,1]=4 190 B9R0.45 CCCCCCOCCO SBB060173 [1,1,0,0,0,0|0,0,1]=3 191 B9R0.45 CCCCCCSCCO SBB060444 [1,1,0,0,0,0|0,0,1]=3 192 B9R0.45 CCCCCNCCCC SBB059765 [1,1,0,0,0,0|1,0,1]=4 193 B9R0.45 CCCCCOCCC#N SBB061167 [1,1,0,0,0,0|1,0,1]=4 194 B9R0.45 CCCNCCOCCO SBB059816 [1,1,0,0,0,0|1,0,1]=4 195 B9R0.45 ClCCCCCCCCCl SBB008751 [1,1,0,0,0,0|1,0,1]=4 196 B9R0.45 NCCCCCCCCN SBB058725 [1,1,0,0,0,0|1,0,1]=4 197 B9R0.45 OCCCCCCCCO SBB060739 [1,1,0,0,0,0|0,0,1]=3 198 B9R0.45 [NH2+](CCCC)CCCCC SBB061636 [1,1,0,0,0,0|1,0,1]=4 199 B9R0.46 CCCCCCC(Cl)CCl SBB059980 [1,1,0,0,0,0|1,0,1]=4 200 B9R0.46 CCCCOCC(O)CO SBB060185 [1,1,0,0,0,0|1,0,1]=4 201 B9R0.1 CCC(C)NCCC(N)=O SBB116742 [1,1,0,0,0,0|2,0,0]=4 202 B9R0.1 COC(=O)CCCC(=O)O SBB007943 [1,1,0,0,0,0|1,0,1]=4 203 B9R0.4 COCCN(C)CC(=O)O SBB046598 [1,1,0,0,0,0|2,0,0]=4 204 B9R0.38 CCCCCCP(=O)(O)O SBB057477 [1,1,0,0,0,0|1,0,0]=3 205 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB003731 [1,1,0,0,0,0|1,0,0]=3 206 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB062859 [1,1,0,0,0,0|1,0,0]=3 207 B9R0.47 NCCCC[C@H](N)C(=O)O SBB062982 [1,1,0,0,0,0|1,0,0]=3 208 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [1,1,0,0,0,0|1,0,1]=4 209 B9R0.55 CC(=O)CCCCC(=O)O SBB068339 [1,1,0,0,0,0|0,0,1]=3 210 B9R0.55 CC(=O)NCCCC(=O)O SBB028464 [1,1,0,0,0,0|1,0,1]=4 211 B9R0.55 CC(C)CCCCC(=O)O SBB065917 [1,1,0,0,0,0|0,0,0]=2 212 B9R0.55 O=C(O)CCCCC(=O)O SBB040846 [1,1,0,0,0,0|1,0,1]=4 213 B11R0.6 OC(=O)CC(C)CCC=C(C)C SBB006596 [0,2,0,0,0,0|0,0,2]=4 214 B11R0.30 CC(=O)NCCCCCC(=O)O SBB065849 [0,2,0,0,0,0|0,0,1]=3 215 B11R0.30 CC(C)CCCCCCC(=O)O SBB088692 [0,2,0,0,0,0|0,0,0]=2 216 B11R0.30 O=C(O)CCCCCCC(=O)O SBB060278 [0,2,0,0,0,0|0,0,1]=3 217 B11R0.40 C=CS(=O)CCCCCCCC SBB013614 [0,2,0,0,0,0|2,0,0]=4 218 B11R0.40 CCCCCCC#CC(=O)OC SBB088197 [0,2,0,0,0,0|0,0,1]=3 219 B11R0.40 CCCCCCCCC(=O)NN SBB030320 [0,2,0,0,0,0|1,0,0]=3 220 B11R0.40 CCCCCCCCC(=O)OC SBB060593 [0,2,0,0,0,0|0,0,0]=2 221 B11R0.40 CCCCCCCOC(=O)CC SBB060313 [0,2,0,0,0,0|1,0,0]=3 222 B11R0.40 CCCCCCCOC(=O)CCl SBB061233 [0,2,0,0,0,0|1,0,0]=3 223 B11R0.40 CCCCCCCOC(=O)CS SBB057443 [0,2,0,0,0,0|0,1,0]=3 224 B11R0.40 CCCCCCOCC(O)CCl SBB059973 [0,2,0,0,0,0|1,0,1]=4 225 B11R0.40 CCCCCCOCC(O)CO SBB060186 [0,2,0,0,0,0|0,0,2]=4 226 B11R0.42 CCCCCCCC(=O)N(C)C SBB007989 [0,2,0,0,0,0|1,0,0]=3 227 B11R0.148 CCCCCCCCCC(=O)Cl SBB060015 [0,2,0,0,0,0|1,0,0]=3 228 B11R0.148 CCCCCCCCCC(=O)O SBB060022 [0,2,0,0,0,0|0,0,0]=2 229 B11R0.148 CCCCCCCCCC(C)=O SBB060389 [0,2,0,0,0,0|1,0,0]=3 230 B11R0.148 CCCCCCCCCC(N)=O SBB061052 [0,2,0,0,0,0|1,0,0]=3 231 B11R0.148 CCCCCCCCOC(C)=O SBB060585 [0,2,0,0,0,0|1,0,0]=3 232 B11R0.148 CCCCSCCCCC(=O)O SBB019267 [0,2,0,0,0,0|0,0,0]=2 233 B11R0.148 CCOCCOCCOC(C)=O SBB061099 [0,2,0,0,0,0|2,0,0]=4 234 B11R0.176 CCCC(=O)OCCCC(C)=O SBB017104 [0,2,0,0,0,0|1,0,1]=4 235 B11R0.176 CCOC(=O)CCCCC(=O)O SBB065980 [0,2,0,0,0,0|0,0,1]=3 236 B11R0.106 COC(=O)CCCCC(=O)OC SBB041006 [0,2,0,0,0,0|1,0,1]=4 237 B11R0.4 CCCCCC#CC(=O)OCC SBB008812 [0,2,0,0,0,0|0,0,2]=4 238 B11R0.4 CCCCCCCC(=O)OCC SBB061059 [0,2,0,0,0,0|0,0,0]=2 239 B11R0.4 CCCCCCOC(=O)CCC SBB061110 [0,2,0,0,0,0|2,0,0]=4 240 B11R0.4 CCCCNCCC(=O)OCC SBB056920 [0,2,0,0,0,0|1,0,0]=3 241 B11R0.4 CCCCSCCC(=O)OCC SBB001706 [0,2,0,0,0,0|1,0,0]=3 242 B11R0.164 CCCCC(CC)CCC(=O)O SBB067105 [0,2,0,0,0,0|0,0,0]=2 243 B11R0.164 CCCCC(CC)COC(C)=O SBB060584 [0,2,0,0,0,0|2,0,0]=4 244 B9R1.5 CN1CCCCCC1=O SBB056535 [1,0,0,1,0,0|1,0,0]=3 245 B9R1.5 NC1CCCCNC1=O SBB056282 [1,0,0,1,0,0|2,0,0]=4 246 B9R1.5 O=C1CCCCCN1Br SBB057855 [1,0,0,1,0,0|2,0,0]=4 247 B9R1.8 C(=O)NC1CCCCC1 SBB007682 [1,0,0,1,0,0|1,0,0]=3 248 B9R1.8 CCCC1CCCCN1 SBB017578 [1,0,0,1,0,0|1,0,1]=4 249 B9R1.8 CCCC1CCCCN1 SBB050937 [1,0,0,1,0,0|1,0,1]=4 250 B9R1.8 CCCC1OCCCO1 SBB060994 [1,0,0,1,0,0|1,0,1]=4 251 B9R1.8 NCCC1CCCCC1 SBB051424 [1,0,0,1,0,0|1,0,1]=4 252 B9R1.8 NCCC1CCCCO1 SBB072556 [1,0,0,1,0,0|1,0,1]=4 253 B9R1.8 O=C=NC1CCCCC1 SBB060893 [1,0,0,1,0,0|1,0,1]=4 254 B9R1.8 OCCC1CCCCN1 SBB027305 [1,0,0,1,0,0|1,0,1]=4 255 B9R1.8 OCCC1CCNCC1 SBB027320 [1,0,0,1,0,0|1,0,1]=4 256 B9R1.8 OCCN1CCCCC1 SBB040888 [1,0,0,1,0,0|1,0,1]=4 257 B9R1.12 CCNCC1CCCO1 SBB080022 [1,0,0,1,0,0|1,0,1]=4 258 B9R1.14 CCN1CCCC1CO SBB108758 [1,0,0,1,0,0|1,0,1]=4 259 B9R1.15 CCC1CCCOC1=O SBB061552 [1,0,0,1,0,0|1,0,0]=3 260 B9R1.15 CCC1NCCNC1=O SBB010255 [1,0,0,1,0,0|2,0,0]=4 261 B9R1.15 CN1CCCCC1CO SBB062716 [1,0,0,1,0,0|1,0,1]=4 262 B9R1.15 CN[C@H]1CCCC[C@@H]1O SBB302548 [1,0,0,1,0,0|1,0,1]=4 263 B9R1.15 CN[C@H]1CCCC[C@H]1O SBB302547 [1,0,0,1,0,0|1,0,1]=4 264 B9R1.15 COC1CCCNC1=O SBB056098 [1,0,0,1,0,0|2,0,0]=4 265 B9R1.15 O=C1CCCCC1CO SBB054864 [1,0,0,1,0,0|1,0,0]=3 266 B9R1.33 CN1CCCC1CCO SBB056164 [1,0,0,1,0,0|1,0,1]=4 267 B9R1.33 NCCN1CCCC1=O SBB300961 [1,0,0,1,0,0|2,0,0]=4 268 B9R1.33 O=C1CCCN1CCCl SBB010314 [1,0,0,1,0,0|2,0,0]=4 269 B9R1.50 NC1CCCCCCC1 SBB004245 [1,0,0,1,0,0|1,0,1]=4 270 B9R1.50 O=C1CCCCCCC1 SBB008888 [1,0,0,1,0,0|0,0,0]=2 271 B9R1.50 OC1CCCCCCC1 SBB058905 [1,0,0,1,0,0|0,0,1]=3 272 B9R1.83 CCCCCCC1CO1 SBB017138 [1,0,0,1,0,0|0,0,1]=3 273 B9R1.83 CCCCOCC1CO1 SBB060096 [1,0,0,1,0,0|1,0,1]=4 274 B9R1.89 N#CC1CCCCCC1 SBB008917 [1,0,0,1,0,0|1,0,1]=4 275 B9R1.89 O=CC1CCCCCC1 SBB059644 [1,0,0,1,0,0|0,0,0]=2 276 B9R1.89 O=CN1CCCNCC1 SBB040967 [1,0,0,1,0,0|2,0,0]=4 277 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [1,0,0,1,0,0|2,0,0]=4 278 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [1,0,0,1,0,0|2,0,0]=4 279 B9R1.6 CC(=O)C1CCOCC1 SBB055952 [1,0,0,1,0,0|2,0,0]=4 280 B9R1.6 NC(=O)C1CCCCC1 SBB008414 [1,0,0,1,0,0|1,0,0]=3 281 B9R1.6 NC(=O)C1CCCCN1 SBB085724 [1,0,0,1,0,0|2,0,0]=4 282 B9R1.6 NC(=O)C1CCCNC1 SBB004239 [1,0,0,1,0,0|2,0,0]=4 283 B9R1.6 NC(=O)C1CCCOC1 SBB047762 [1,0,0,1,0,0|2,0,0]=4 284 B9R1.6 NC(=O)C1CCNCC1 SBB004237 [1,0,0,1,0,0|2,0,0]=4 285 B9R1.6 NC(=O)C1CCOCC1 SBB055946 [1,0,0,1,0,0|2,0,0]=4 286 B9R1.6 O=C(Cl)C1CCCCC1 SBB040626 [1,0,0,1,0,0|1,0,0]=3 287 B9R1.6 O=C(Cl)C1CCOCC1 SBB062712 [1,0,0,1,0,0|2,0,0]=4 288 B9R1.6 O=C(O)C1CCCCC1 SBB008550 [1,0,0,1,0,0|0,0,0]=2 289 B9R1.6 O=C(O)C1CCCCO1 SBB027215 [1,0,0,1,0,0|1,0,0]=3 290 B9R1.6 O=C(O)C1CCCNC1 SBB027313 [1,0,0,1,0,0|1,0,0]=3 291 B9R1.6 O=C(O)C1CCCOC1 SBB014997 [1,0,0,1,0,0|1,0,0]=3 292 B9R1.6 O=C(O)C1CCNCC1 SBB003906 [1,0,0,1,0,0|1,0,0]=3 293 B9R1.6 O=C(O)C1CCNCC1 SBB004231 [1,0,0,1,0,0|1,0,0]=3 294 B9R1.6 O=C(O)C1CCOCC1 SBB027643 [1,0,0,1,0,0|1,0,0]=3 295 B9R1.6 O=C(O)C1CCSCC1 SBB053436 [1,0,0,1,0,0|1,0,0]=3 296 B9R1.6 O=C(O)C1CCSCN1 SBB014841 [1,0,0,1,0,0|2,0,0]=4 297 B9R1.6 O=C(O)C1CNCCO1 SBB053358 [1,0,0,1,0,0|2,0,0]=4 298 B9R1.6 O=C(O)C1CNCCS1 SBB053351 [1,0,0,1,0,0|2,0,0]=4 299 B9R1.6 O=C(O)C1CSCCN1 SBB053350 [1,0,0,1,0,0|2,0,0]=4 300 B9R1.6 O=C(O)[C@@H]1CCCCN1 SBB006732 [1,0,0,1,0,0|1,0,0]=3 301 B9R1.6 OB(O)C1CCCCC1 SBB052596 [1,0,0,1,0,0|1,0,1]=4 302 B9R1.6 OC(=O)C1=CCCCC1 SBB006589 [1,0,0,1,0,0|0,0,2]=4 303 B9R1.6 OC(=O)C1CC=CCC1 SBB006583 [1,0,0,1,0,0|0,0,2]=4 304 B9R1.6 OC(=O)C1CNCCN1 SBB004226 [1,0,0,1,0,0|2,0,0]=4 305 B9R1.13 CC(=O)CC1CCCC1 SBB008343 [1,0,0,1,0,0|1,0,0]=3 306 B9R1.13 CC(=O)OC1CCCC1 SBB060737 [1,0,0,1,0,0|2,0,0]=4 307 B9R1.13 O=C(Cl)CC1CCCC1 SBB116687 [1,0,0,1,0,0|1,0,0]=3 308 B9R1.13 O=C(Cl)OC1CCCC1 SBB056243 [1,0,0,1,0,0|2,0,0]=4 309 B9R1.13 O=C(O)CC1CCCC1 SBB080711 [1,0,0,1,0,0|0,0,0]=2 310 B9R1.13 O=C(O)CC1CCCO1 SBB002788 [1,0,0,1,0,0|1,0,0]=3 311 B9R1.13 O=C(O)CN1CCCC1 SBB017909 [1,0,0,1,0,0|1,0,0]=3 312 B9R1.13 O=C(O)C[C@@H]1CCCN1 SBB066746 [1,0,0,1,0,0|1,0,0]=3 313 B9R1.41 CN1CCCC1C(=O)O SBB108828 [1,0,0,1,0,0|1,0,0]=3 314 B9R1.84 O=C(O)CCC1CCC1 SBB072391 [1,0,0,1,0,0|0,0,0]=2 315 B11R1.90 O=C(O)CCC1CCOC1=O SBB051506 [0,1,0,1,0,0|1,0,1]=4 316 B11R1.90 O=C(O)CCN1CCCC1=O SBB046364 [0,1,0,1,0,0|1,0,1]=4 317 B11R1.157 CC(=O)CN1CCCC(C)C1 SBB046420 [0,1,0,1,0,0|2,0,0]=4 318 B11R1.157 CC1CCCN(CC(=O)O)C1 SBB010390 [0,1,0,1,0,0|1,0,0]=3 319 B11R1.172 O=C(O)CCCN1CCCC1 SBB077224 [0,1,0,1,0,0|0,0,0]=2 320 B11R1.172 O=C(O)COCC1CCCO1 SBB010420 [0,1,0,1,0,0|1,0,0]=3 321 B11R1.86 CC(=O)CN1CCCCC1C SBB046421 [0,1,0,1,0,0|1,0,0]=3 322 B11R1.86 CC(=O)NC1CCCC[C@H]1Cl SBB056532 [0,1,0,1,0,0|2,0,0]=4 323 B11R1.86 CC1CCCCN1CC(=O)O SBB046596 [0,1,0,1,0,0|0,0,0]=2 324 B11R1.86 CN1CCCCC1CC(=O)O SBB010391 [0,1,0,1,0,0|0,0,0]=2 325 B11R1.91 CC(=O)NCC1CCNCC1 SBB047898 [0,1,0,1,0,0|2,0,0]=4 326 B11R1.91 NC(=O)CCN1CCNCC1 SBB014724 [0,1,0,1,0,0|2,0,0]=4 327 B11R1.91 NC(=S)CCN1CCCCC1 SBB024089 [0,1,0,1,0,0|1,1,0]=4 328 B11R1.91 O=C(Cl)CCC1CCCCC1 SBB005478 [0,1,0,1,0,0|1,0,0]=3 329 B11R1.91 O=C(O)CCC1CCCCN1 SBB018825 [0,1,0,1,0,0|0,0,0]=2 330 B11R1.91 O=C(O)CCC1CCCNC1 SBB014718 [0,1,0,1,0,0|0,0,0]=2 331 B11R1.91 O=C(O)CCN1CCNCC1 SBB010190 [0,1,0,1,0,0|1,0,0]=3 332 B11R1.91 O=C(O)CCN1CCOCC1 SBB010411 [0,1,0,1,0,0|1,0,0]=3 333 B11R1.91 O=C(O)CCN1CCOCC1 SBB091930 [0,1,0,1,0,0|1,0,0]=3 334 B11R1.99 CCCCCCCCC1CO1 SBB017139 [0,1,0,1,0,0|1,0,1]=4 335 B11R1.99 CCCCCCOCC1CO1 SBB060098 [0,1,0,1,0,0|1,0,1]=4 336 B11R1.193 C=CCN1CCCC1C(=O)O SBB046628 [0,1,0,1,0,0|0,0,2]=4 337 B11R1.742 CC(O)CN1CCCCCC1 SBB056515 [0,1,0,1,0,0|1,0,1]=4 338 B11R1.742 O=C(O)CN1CCCCCC1 SBB010389 [0,1,0,1,0,0|0,0,0]=2 339 B11R1.34 CCCC1CC(=O)CC(=O)C1 SBB059705 [0,1,0,1,0,0|1,0,1]=4 340 B11R1.77 CN(CC(=O)O)C1CCCC1 SBB303285 [0,1,0,1,0,0|1,0,0]=3 341 B11R1.928 O=C(O)CC1(O)CCCCC1 SBB300165 [0,1,0,1,0,0|0,0,0]=2 342 B11R1.928 O=[N+]([O-])CC1(O)CCCCC1 SBB007771 [0,1,0,1,0,0|1,0,1]=4 343 B11R1.509 O=S(=O)(Cl)CC1CCCCC1 SBB092083 [0,1,0,1,0,0|1,0,1]=4 344 B11R1.20 CC1CCN(CC(=O)O)CC1 SBB010388 [0,1,0,1,0,0|1,0,0]=3 345 B11R1.20 CN1CCN(CC(=O)O)CC1 SBB039917 [0,1,0,1,0,0|2,0,0]=4 346 B11R1.20 NC1CCN(CC(=O)O)CC1 SBB014698 [0,1,0,1,0,0|1,0,0]=3 347 B11R1.20 O=C(O)CN1CCC(=O)CC1 SBB010385 [0,1,0,1,0,0|1,0,1]=4 348 B11R1.75 CC1=NN(CCC(=O)O)CC1 SBB010373 [0,1,0,1,0,0|1,0,1]=4 349 B11R1.75 O=C(O)CCC1CCC(=O)N1 SBB301699 [0,1,0,1,0,0|1,0,1]=4 350 B11R1.266 CCN1CCCC(C(=O)O)C1 SBB303328 [0,1,0,1,0,0|1,0,0]=3 351 B11R1.1 CCCCC1CCC(=O)CC1 SBB059680 [0,1,0,1,0,0|1,0,0]=3 352 B11R1.1 CCCCN1CCC(=O)CC1 SBB087084 [0,1,0,1,0,0|2,0,0]=4 353 B11R1.1 [C@H]1(O)CC[C@H](CCCC)CC1 SBB059708 [0,1,0,1,0,0|1,0,1]=4 354 B11R1.25 NNC(=O)CCC1CCCC1 SBB030323 [0,1,0,1,0,0|1,0,0]=3 355 B11R1.40 C=CC(=O)NC1CCCCC1 SBB056517 [0,1,0,1,0,0|2,0,0]=4 356 B11R1.40 COC(=O)CC1CCNCC1 SBB018691 [0,1,0,1,0,0|1,0,0]=3 357 B11R1.40 COC(=O)CC1CNCCN1 SBB054016 [0,1,0,1,0,0|2,0,0]=4 358 B11R1.40 COC(=O)CC1CNCCO1 SBB054018 [0,1,0,1,0,0|2,0,0]=4 359 B11R1.40 C\C(CN1CCCCC1)=N/O SBB020250 [0,1,0,1,0,0|2,0,0]=4 360 B11R1.40 NC(CO)CC1CCCCC1 SBB057172 [0,1,0,1,0,0|1,0,1]=4 361 B11R1.40 NNC(=O)CC1CCNCC1 SBB046472 [0,1,0,1,0,0|2,0,0]=4 362 B11R1.40 NNC(=O)CN1CCCCC1 SBB072021 [0,1,0,1,0,0|2,0,0]=4 363 B11R1.40 NNC(=O)NC1CCCCC1 SBB072937 [0,1,0,1,0,0|2,0,0]=4 364 B11R1.40 N\C(CN1CCCCC1)=N\O SBB028329 [0,1,0,1,0,0|2,0,0]=4 365 B11R1.40 O=C(CBr)NC1CCCCC1 SBB080041 [0,1,0,1,0,0|2,0,0]=4 366 B11R1.40 O=C(CCl)NC1CCCCC1 SBB017388 [0,1,0,1,0,0|2,0,0]=4 367 B11R1.852 O=C(CCl)N1CCCCCC1 SBB038719 [0,1,0,1,0,0|2,0,0]=4 368 B11R1.36 CC(C(=O)O)N1CCCCC1 SBB045912 [0,1,0,1,0,0|1,0,0]=3 369 B11R1.36 CC(C(=O)O)N1CCOCC1 SBB028124 [0,1,0,1,0,0|2,0,0]=4 370 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 SBB067146 [0,1,0,1,0,0|0,0,0]=2 371 B11R1.36 O=C(O)[C@@H](O)C1CCCCC1 SBB058636 [0,1,0,1,0,0|0,0,0]=2 372 B11R1.178 CC(=O)N1CCCC1C(=O)O SBB005365 [0,1,0,1,0,0|1,0,1]=4 373 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O SBB065858 [0,1,0,1,0,0|1,0,1]=4 374 B11R2.106 O=C1CCNC2CCCC12 SBB002318 [0,0,0,2,0,0|2,0,0]=4 375 B11R2.484 OC12CCCC(CCC1)O2 SBB086253 [0,0,0,2,0,0|0,0,2]=4 376 B11R2.10 O=C1OC2CCCCC2O1 SBB002057 [0,0,0,2,0,0|1,0,0]=3 377 B11R2.1852 O=C(O)C1C2CCCCC21 SBB010153 [0,0,0,2,0,0|0,0,0]=2 378 B11R2.845 O=C(O)C1CC2C=CC1C2 SBB008175 [0,0,0,2,0,0|0,0,2]=4 379 B11R2.845 O=C(O)C1CC2CCC1C2 SBB008208 [0,0,0,2,0,0|0,0,0]=2 380 B11R2.432 CN1C2CCC1CC(=O)C2 SBB006924 [0,0,0,2,0,0|2,0,0]=4 381 B11R2.432 [C@H]12CC[C@H](CC(=O)C1)N2C SBB056389 [0,0,0,2,0,0|2,0,0]=4