0 B7R0.1 BrCCCCCCBr SBB060205 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 C#CCNCCCC SBB300093 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 C=CCCCCCC SBB059884 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.1 C=CCNCC#CC SBB301263 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.1 C=CCNCCC#N SBB116759 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.1 C=CCSCCCC SBB058522 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.1 CCCC#CCCO SBB008799 [0,0,0,0,0,0|0,0,4]=4 7 B7R0.1 CCCCC#CCO SBB008796 [0,0,0,0,0,0|0,0,4]=4 8 B7R0.1 CCCCCCC#N SBB060052 [0,0,0,0,0,0|1,0,1]=2 9 B7R0.1 CCCCCCCBr SBB059936 [0,0,0,0,0,0|1,0,1]=2 10 B7R0.1 CCCCCCCCl SBB059954 [0,0,0,0,0,0|1,0,1]=2 11 B7R0.1 CCCCCCCN SBB059985 [0,0,0,0,0,0|1,0,1]=2 12 B7R0.1 CCCCCCOC SBB061157 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.1 CCCCCN=C=S SBB085742 [0,0,0,0,0,0|1,1,1]=3 14 B7R0.1 CCCCCOC=O SBB060301 [0,0,0,0,0,0|1,0,0]=1 15 B7R0.1 CCCCCSC#N SBB060089 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.1 CCCCNCCC SBB059822 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.1 CCCCOCCBr SBB007731 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.1 CCCCOCCCl SBB059964 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.1 CCCCOCCO SBB059918 [0,0,0,0,0,0|1,0,2]=3 20 B7R0.1 CCCCSCCN SBB072659 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.1 CCCCSCCO SBB013616 [0,0,0,0,0,0|1,0,2]=3 22 B7R0.1 CCCCSCCS SBB057435 [0,0,0,0,0,0|1,1,1]=3 23 B7R0.1 CCCNCCC#N SBB059761 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.1 CCCOCCCN SBB056585 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.1 CCCSSCCC SBB058501 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.1 CCNCCCCO SBB052126 [0,0,0,0,0,0|1,0,2]=3 27 B7R0.1 CCNCCNCC SBB072869 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.1 COCCCN=C=S SBB085786 [0,0,0,0,0,0|2,1,1]=4 29 B7R0.1 COCCOCCCl SBB059966 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.1 COCCOCCO SBB059920 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.1 COCCOCCS SBB061387 [0,0,0,0,0,0|2,1,1]=4 32 B7R0.1 COCCSCCO SBB061070 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.1 CSCCCN=C=S SBB066566 [0,0,0,0,0,0|2,1,1]=4 34 B7R0.1 C\C=C\CCCCC SBB059885 [0,0,0,0,0,0|1,0,1]=2 35 B7R0.1 ClCCCCCCCl SBB060213 [0,0,0,0,0,0|2,0,1]=3 36 B7R0.1 N#CCCCCC#N SBB060888 [0,0,0,0,0,0|2,0,2]=4 37 B7R0.1 N#CCCCCCBr SBB058579 [0,0,0,0,0,0|2,0,1]=3 38 B7R0.1 N#CCCSCCO SBB069588 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.1 NCCCCCCN SBB059999 [0,0,0,0,0,0|2,0,1]=3 40 B7R0.1 NCCCNCCN SBB052120 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.1 NCCCNCCO SBB059810 [0,0,0,0,0,0|2,0,2]=4 42 B7R0.1 OCCCCCCBr SBB054752 [0,0,0,0,0,0|1,0,2]=3 43 B7R0.1 OCCCCCCCl SBB060188 [0,0,0,0,0,0|1,0,2]=3 44 B7R0.1 OCCCCCCN SBB006584 [0,0,0,0,0,0|1,0,2]=3 45 B7R0.1 OCCCCCCO SBB059915 [0,0,0,0,0,0|1,0,2]=3 46 B7R0.1 OCCCCCCS SBB058615 [0,0,0,0,0,0|1,0,2]=3 47 B6R0.6 BrCCOCCBr SBB054744 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.6 C#CCCCCC SBB067441 [1,0,0,0,0,0|0,0,2]=3 49 B6R0.6 C#CCCCCO SBB015110 [1,0,0,0,0,0|0,0,3]=4 50 B6R0.6 C=CCCCCBr SBB054740 [1,0,0,0,0,0|1,0,1]=3 51 B6R0.6 C=CCCCCC SBB059882 [1,0,0,0,0,0|0,0,1]=2 52 B6R0.6 C=CCOCCO SBB060194 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.6 CCCCCC#N SBB060051 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.6 CCCCCCBr SBB059934 [1,0,0,0,0,0|1,0,0]=2 55 B6R0.6 CCCCCCCl SBB059952 [1,0,0,0,0,0|1,0,0]=2 56 B6R0.6 CCCCCCN SBB059984 [1,0,0,0,0,0|1,0,0]=2 57 B6R0.6 CCCCCCO SBB059899 [1,0,0,0,0,0|0,0,1]=2 58 B6R0.6 CCCCCOC SBB061300 [1,0,0,0,0,0|1,0,1]=3 59 B6R0.6 CCCCN=C=S SBB060985 [1,0,0,0,0,0|1,1,1]=4 60 B6R0.6 CCCCNC=O SBB060026 [1,0,0,0,0,0|1,0,0]=2 61 B6R0.6 CCCCOC=O SBB060300 [1,0,0,0,0,0|1,0,0]=2 62 B6R0.6 CCCCSC#N SBB056760 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.6 CCCCSCC SBB061178 [1,0,0,0,0,0|1,0,1]=3 64 B6R0.6 CCCNCCC SBB059762 [1,0,0,0,0,0|1,0,1]=3 65 B6R0.6 CCCOCCO SBB061379 [1,0,0,0,0,0|1,0,1]=3 66 B6R0.6 CCCSCCC SBB061017 [1,0,0,0,0,0|1,0,1]=3 67 B6R0.6 CCCSCCO SBB058605 [1,0,0,0,0,0|1,0,1]=3 68 B6R0.6 CCC\C=C\C=O SBB067097 [1,0,0,0,0,0|0,0,2]=3 69 B6R0.6 CCNCCC#N SBB006528 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.6 CCOCCC#N SBB067181 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.6 CCOCCCN SBB028180 [1,0,0,0,0,0|2,0,0]=3 72 B6R0.6 CC\C=C/CCO SBB007739 [1,0,0,0,0,0|0,0,3]=4 73 B6R0.6 ClCCOCCCl SBB059969 [1,0,0,0,0,0|3,0,0]=4 74 B6R0.6 N#CCCCCCl SBB061418 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.6 NCCCCCN SBB079706 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.6 NCCNCCN SBB059776 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.6 NCCNCCO SBB028183 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.6 NCCOCCO SBB060906 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.6 NCCSCCO SBB056468 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.6 O=C=NCCCCl SBB068362 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.6 OCCNCCO SBB059779 [1,0,0,0,0,0|2,0,1]=4 82 B6R0.6 OCCOCCCl SBB060189 [1,0,0,0,0,0|2,0,1]=4 83 B6R0.6 OCCSCCO SBB060117 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.6 SCCOCCS SBB058846 [1,0,0,0,0,0|2,1,0]=4 85 B8R0.1 C=CCOC(=O)CCC SBB061324 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.1 CCCCC(O)CCC SBB059905 [0,1,0,0,0,0|1,0,1]=3 87 B8R0.1 CCCCS(=O)CCO SBB019077 [0,1,0,0,0,0|1,0,2]=4 88 B8R0.1 CCOC(=O)CNC=O SBB067158 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.4 C#CCCCCCCO SBB062745 [0,1,0,0,0,0|1,0,1]=3 90 B8R0.4 C=CCCCCCCC SBB060474 [0,1,0,0,0,0|1,0,0]=2 91 B8R0.4 CC#CCNCCCC SBB010247 [0,1,0,0,0,0|1,0,2]=4 92 B8R0.4 CCCCC#CCCO SBB009106 [0,1,0,0,0,0|0,0,3]=4 93 B8R0.4 CCCCCC#CCO SBB009105 [0,1,0,0,0,0|0,0,3]=4 94 B8R0.4 CCCCCCCC#N SBB060053 [0,1,0,0,0,0|1,0,1]=3 95 B8R0.4 CCCCCCCC=O SBB059871 [0,1,0,0,0,0|0,0,0]=1 96 B8R0.4 CCCCCCCCBr SBB059937 [0,1,0,0,0,0|1,0,1]=3 97 B8R0.4 CCCCCCCCCl SBB059955 [0,1,0,0,0,0|1,0,1]=3 98 B8R0.4 CCCCCCCCN SBB059986 [0,1,0,0,0,0|1,0,1]=3 99 B8R0.4 CCCCCCCCO SBB059902 [0,1,0,0,0,0|0,0,2]=3 100 B8R0.4 CCCCCCCNC SBB059820 [0,1,0,0,0,0|1,0,1]=3 101 B8R0.4 CCCCCCN=C=O SBB058614 [0,1,0,0,0,0|0,0,1]=2 102 B8R0.4 CCCCCCN=C=S SBB061289 [0,1,0,0,0,0|0,1,1]=3 103 B8R0.4 CCCCCCNC=O SBB061175 [0,1,0,0,0,0|0,0,0]=1 104 B8R0.4 CCCCCCOC=O SBB060302 [0,1,0,0,0,0|0,0,0]=1 105 B8R0.4 CCCCCCSCC SBB061179 [0,1,0,0,0,0|1,0,1]=3 106 B8R0.4 CCCCCNCCO SBB059826 [0,1,0,0,0,0|0,0,2]=3 107 B8R0.4 CCCCC\C=C\C=O SBB068337 [0,1,0,0,0,0|0,0,1]=2 108 B8R0.4 CCCCNCCC#N SBB017631 [0,1,0,0,0,0|1,0,1]=3 109 B8R0.4 CCCCNCCCC SBB059755 [0,1,0,0,0,0|1,0,1]=3 110 B8R0.4 CCCCNCCOC SBB056732 [0,1,0,0,0,0|2,0,0]=3 111 B8R0.4 CCCCOCCC#N SBB058573 [0,1,0,0,0,0|1,0,1]=3 112 B8R0.4 CCCCOCCCC SBB060059 [0,1,0,0,0,0|1,0,1]=3 113 B8R0.4 CCCCOCCCN SBB061718 [0,1,0,0,0,0|1,0,1]=3 114 B8R0.4 CCCCSCCCC SBB060667 [0,1,0,0,0,0|1,0,1]=3 115 B8R0.4 CCOCCCN=C=S SBB030512 [0,1,0,0,0,0|1,1,1]=4 116 B8R0.4 CCOCCOCCCl SBB060378 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.4 CCOCCOCCO SBB060178 [0,1,0,0,0,0|1,0,2]=4 118 B8R0.4 CCSCCOCCO SBB061065 [0,1,0,0,0,0|1,0,2]=4 119 B8R0.4 COCCNCCC#N SBB116774 [0,1,0,0,0,0|2,0,1]=4 120 B8R0.4 COCCNCCOC SBB059845 [0,1,0,0,0,0|3,0,0]=4 121 B8R0.4 COCCOCCCN SBB061669 [0,1,0,0,0,0|2,0,1]=4 122 B8R0.4 C\C=C\CSCCCC SBB061594 [0,1,0,0,0,0|1,0,1]=3 123 B8R0.4 N#CCCCCCC#N SBB068424 [0,1,0,0,0,0|1,0,2]=4 124 B8R0.4 N#CCCCCCCBr SBB068343 [0,1,0,0,0,0|1,0,1]=3 125 B8R0.4 NCCCCCCCN SBB058724 [0,1,0,0,0,0|1,0,1]=3 126 B8R0.4 NCCCNCCCN SBB059777 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.4 OCCCCCCCBr SBB061558 [0,1,0,0,0,0|0,0,2]=3 128 B8R0.6 C#CC(O)CCCCC SBB009107 [0,1,0,0,0,0|1,0,1]=3 129 B8R0.6 CCC(C)NCCC#N SBB116741 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.6 CCCCCC(=O)CC SBB060388 [0,1,0,0,0,0|1,0,2]=4 131 B8R0.6 CCCCCC(=O)NN SBB021010 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.6 CCCCCC(=O)NO SBB008093 [0,1,0,0,0,0|1,0,2]=4 133 B8R0.6 CCCCCC(=O)OC SBB060591 [0,1,0,0,0,0|2,0,1]=4 134 B8R0.6 CCCCCC(Br)CBr SBB060499 [0,1,0,0,0,0|1,0,1]=3 135 B8R0.6 CCCCCC(O)CC SBB059904 [0,1,0,0,0,0|1,0,1]=3 136 B8R0.6 OCCCCC(O)CO SBB061014 [0,1,0,0,0,0|1,0,2]=4 137 B8R0.7 C#CCCCCC(=O)O SBB008797 [0,1,0,0,0,0|0,0,2]=3 138 B8R0.7 C=C(C)CSCCCC SBB061593 [0,1,0,0,0,0|2,0,0]=3 139 B8R0.7 C=CCNCCC(N)=O SBB116743 [0,1,0,0,0,0|1,0,2]=4 140 B8R0.7 CC(=O)CCCOC=O SBB001557 [0,1,0,0,0,0|1,0,1]=3 141 B8R0.7 CC(=O)OCCCCCl SBB059334 [0,1,0,0,0,0|2,0,0]=3 142 B8R0.7 CC(C)CCCCCBr SBB054753 [0,1,0,0,0,0|1,0,1]=3 143 B8R0.7 CC(C)CNCCCO SBB301242 [0,1,0,0,0,0|1,0,2]=4 144 B8R0.7 CC(C)COCCC#N SBB061192 [0,1,0,0,0,0|2,0,1]=4 145 B8R0.7 CCCCCCC(=O)Cl SBB060012 [0,1,0,0,0,0|0,0,0]=1 146 B8R0.7 CCCCCCC(=O)O SBB053587 [0,1,0,0,0,0|0,0,0]=1 147 B8R0.7 CCCCCCC(C)=O SBB060387 [0,1,0,0,0,0|0,0,0]=1 148 B8R0.7 CCCCCCC(C)Br SBB060198 [0,1,0,0,0,0|1,0,1]=3 149 B8R0.7 CCCCCCC(C)N SBB028238 [0,1,0,0,0,0|1,0,1]=3 150 B8R0.7 CCCCCCC(C)O SBB059903 [0,1,0,0,0,0|0,0,2]=3 151 B8R0.7 CCCCCCN(C)C SBB059990 [0,1,0,0,0,0|2,0,0]=3 152 B8R0.7 CCCCCOC(C)=O SBB060027 [0,1,0,0,0,0|1,0,0]=2 153 B8R0.7 CCCCNCC(C)C SBB059764 [0,1,0,0,0,0|2,0,1]=4 154 B8R0.7 CCCCNCC(C)O SBB059782 [0,1,0,0,0,0|1,0,2]=4 155 B8R0.7 CCCCSCC(=O)O SBB061205 [0,1,0,0,0,0|1,0,0]=2 156 B8R0.7 CCCNCCC(N)=O SBB116773 [0,1,0,0,0,0|1,0,0]=2 157 B8R0.7 CCOCCOC(C)=O SBB061000 [0,1,0,0,0,0|2,0,0]=3 158 B8R0.7 CN(C)CCCCC#N SBB072265 [0,1,0,0,0,0|2,0,1]=4 159 B8R0.7 CN(C)CCCCCN SBB008565 [0,1,0,0,0,0|2,0,1]=4 160 B8R0.7 COCCOCC(=O)O SBB008497 [0,1,0,0,0,0|2,0,0]=3 161 B8R0.7 N#CCCNCC(=O)O SBB005852 [0,1,0,0,0,0|2,0,1]=4 162 B8R0.7 NC(=O)CCNCCO SBB116776 [0,1,0,0,0,0|2,0,0]=3 163 B8R0.7 NCCCCCC(=O)O SBB015068 [0,1,0,0,0,0|1,0,0]=2 164 B8R0.7 O=C(O)CCCCCBr SBB065783 [0,1,0,0,0,0|1,0,0]=2 165 B8R0.7 O=C(O)CCNCCO SBB079386 [0,1,0,0,0,0|2,0,0]=3 166 B8R0.7 [NH2+](CCCC)CC(C)C SBB061643 [0,1,0,0,0,0|2,0,1]=4 167 B8R1.2 BrCC1CCCCO1 SBB054944 [0,0,0,1,0,0|1,0,2]=4 168 B8R1.2 BrCC1CCCNC1 SBB019055 [0,0,0,1,0,0|2,0,1]=4 169 B8R1.2 BrCC1CCOCC1 SBB054945 [0,0,0,1,0,0|2,0,1]=4 170 B8R1.2 C(=O)N1CCCCC1 SBB004316 [0,0,0,1,0,0|1,0,0]=2 171 B8R1.2 C(=O)N1CCNCC1 SBB027307 [0,0,0,1,0,0|2,0,0]=3 172 B8R1.2 C(=O)N1CCOCC1 SBB007670 [0,0,0,1,0,0|2,0,0]=3 173 B8R1.2 C=CC1CC=CCC1 SBB059892 [0,0,0,1,0,0|1,0,2]=4 174 B8R1.2 CCC1CCCCC1 SBB061162 [0,0,0,1,0,0|1,0,1]=3 175 B8R1.2 CCC1CCNCC1 SBB046379 [0,0,0,1,0,0|2,0,1]=4 176 B8R1.2 CCN1CCCCC1 SBB061409 [0,0,0,1,0,0|2,0,1]=4 177 B8R1.2 COC1C=CCCC1 SBB060461 [0,0,0,1,0,0|2,0,0]=3 178 B8R1.2 COC1CCNCC1 SBB019028 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.2 ClCC1CCCCO1 SBB040653 [0,0,0,1,0,0|1,0,2]=4 180 B8R1.2 N#CC1CCCCC1 SBB008404 [0,0,0,1,0,0|1,0,1]=3 181 B8R1.2 N#CC1CCNCC1 SBB062695 [0,0,0,1,0,0|2,0,1]=4 182 B8R1.2 N#CC1CCOCC1 SBB019014 [0,0,0,1,0,0|2,0,1]=4 183 B8R1.2 N(C)C1CCCCC1 SBB004314 [0,0,0,1,0,0|2,0,0]=3 184 B8R1.2 N1CCCCC1CC SBB004312 [0,0,0,1,0,0|1,0,1]=3 185 B8R1.2 NCC1CCCCC1 SBB028193 [0,0,0,1,0,0|1,0,1]=3 186 B8R1.2 NCC1CCCCN1 SBB069774 [0,0,0,1,0,0|2,0,1]=4 187 B8R1.2 NCC1CCCCO1 SBB085471 [0,0,0,1,0,0|1,0,2]=4 188 B8R1.2 NCC1CCCOC1 SBB013821 [0,0,0,1,0,0|2,0,1]=4 189 B8R1.2 NCC1CCNCC1 SBB004305 [0,0,0,1,0,0|2,0,1]=4 190 B8R1.2 NCC1CCOCC1 SBB014254 [0,0,0,1,0,0|2,0,1]=4 191 B8R1.2 O=CC1=CCCOC1 SBB018863 [0,0,0,1,0,0|1,0,2]=4 192 B8R1.2 O=CC1CC=CCC1 SBB068360 [0,0,0,1,0,0|0,0,2]=3 193 B8R1.2 O=CC1CCNCC1 SBB052337 [0,0,0,1,0,0|1,0,0]=2 194 B8R1.2 O=CC1CCOCC1 SBB052321 [0,0,0,1,0,0|1,0,0]=2 195 B8R1.2 OCC1CC=CCC1 SBB054865 [0,0,0,1,0,0|2,0,1]=4 196 B8R1.2 OCC1CCCCC1 SBB061328 [0,0,0,1,0,0|0,0,2]=3 197 B8R1.2 OCC1CCCCN1 SBB058544 [0,0,0,1,0,0|1,0,2]=4 198 B8R1.2 OCC1CCCCO1 SBB008943 [0,0,0,1,0,0|1,0,2]=4 199 B8R1.2 OCC1CCCOC1 SBB014200 [0,0,0,1,0,0|1,0,2]=4 200 B8R1.2 OCC1CCNCC1 SBB054833 [0,0,0,1,0,0|1,0,2]=4 201 B8R1.2 ON=C1CCCCC1 SBB058381 [0,0,0,1,0,0|1,0,2]=4 202 B8R1.5 BrC1CCCC[C@@H]1Br SBB060495 [0,0,0,1,0,0|2,0,1]=4 203 B8R1.5 CC1=C(C)CCCC1 SBB060472 [0,0,0,1,0,0|1,0,1]=3 204 B8R1.5 CC1=NCCCN1C SBB001664 [0,0,0,1,0,0|3,0,0]=4 205 B8R1.5 CC1CCCCC1=O SBB058517 [0,0,0,1,0,0|0,0,0]=1 206 B8R1.5 CC1CCCCC1N SBB061724 [0,0,0,1,0,0|1,0,1]=3 207 B8R1.5 CC1CCCCN1C SBB060747 [0,0,0,1,0,0|2,0,0]=3 208 B8R1.5 CC1CCCNC1C SBB027556 [0,0,0,1,0,0|2,0,1]=4 209 B8R1.5 CC1CNCCC1O SBB300760 [0,0,0,1,0,0|1,0,2]=4 210 B8R1.5 CC1NCCNC1=O SBB080100 [0,0,0,1,0,0|2,0,0]=3 211 B8R1.5 CC1SCCNC1=O SBB111924 [0,0,0,1,0,0|2,0,0]=3 212 B8R1.5 Cl[C@H]1CCCC[C@H]1Cl SBB007831 [0,0,0,1,0,0|2,0,1]=4 213 B8R1.5 FC1CCCCC1Br SBB089745 [0,0,0,1,0,0|2,0,1]=4 214 B8R1.5 NC1CCCNC1=O SBB012739 [0,0,0,1,0,0|2,0,0]=3 215 B8R1.5 N[C@@H]1CCCC[C@H]1N SBB007639 [0,0,0,1,0,0|2,0,1]=4 216 B8R1.5 O=C1CCCCC1Cl SBB061548 [0,0,0,1,0,0|1,0,0]=2 217 B8R1.5 O[C@@H]1CCCC[C@H]1O SBB007679 [0,0,0,1,0,0|1,0,2]=4 218 B8R1.5 O[C@H]1CCCC[C@H]1O SBB007678 [0,0,0,1,0,0|1,0,2]=4 219 B8R1.8 C=CCC1CCCC1 SBB008872 [0,0,0,1,0,0|1,0,0]=2 220 B8R1.8 CCCC1OCCO1 SBB060981 [0,0,0,1,0,0|1,0,2]=4 221 B8R1.8 CCCC1OCCS1 SBB056724 [0,0,0,1,0,0|1,0,2]=4 222 B8R1.8 COC[C@@H]1CCCN1 SBB006442 [0,0,0,1,0,0|2,0,1]=4 223 B8R1.8 ClCCN1CCCC1 SBB070714 [0,0,0,1,0,0|2,0,1]=4 224 B8R1.8 N#CCC1CCCO1 SBB018702 [0,0,0,1,0,0|2,0,1]=4 225 B8R1.8 N#CCN1CCCC1 SBB047434 [0,0,0,1,0,0|2,0,1]=4 226 B8R1.8 NCCC1CCCC1 SBB072011 [0,0,0,1,0,0|1,0,1]=3 227 B8R1.8 NCCN1CCCC1 SBB004304 [0,0,0,1,0,0|2,0,1]=4 228 B8R1.8 O=C=NC1CCCC1 SBB046723 [0,0,0,1,0,0|1,0,1]=3 229 B8R1.8 OCCC1CCCC1 SBB008459 [0,0,0,1,0,0|0,0,2]=3 230 B8R1.8 OCCN1CCCC1 SBB060257 [0,0,0,1,0,0|1,0,2]=4 231 B8R1.8 S=C=NC1CCCC1 SBB017610 [0,0,0,1,0,0|1,1,1]=4 232 B8R1.11 CN1CCCC1CO SBB108833 [0,0,0,1,0,0|1,0,2]=4 233 B8R1.12 NC[C@@H]1CC[C@H]1CN SBB052512 [0,0,0,1,0,0|2,0,1]=4 234 B8R1.22 CN1CCCNCC1 SBB056191 [0,0,0,1,0,0|3,0,0]=4 235 B8R1.22 NC1CCCCCC1 SBB004311 [0,0,0,1,0,0|1,0,1]=3 236 B8R1.22 O=C1CCCCCC1 SBB060075 [0,0,0,1,0,0|0,0,0]=1 237 B8R1.22 O=C1CCCCCN1 SBB058658 [0,0,0,1,0,0|1,0,0]=2 238 B8R1.22 O=C1CCNCCN1 SBB056241 [0,0,0,1,0,0|2,0,0]=3 239 B8R1.22 O=S1OCCCCO1 SBB060665 [0,0,0,1,0,0|3,0,0]=4 240 B8R1.22 OC1CCCCCC1 SBB061138 [0,0,0,1,0,0|0,0,2]=3 241 B8R1.22 S=C1NCCCCN1 SBB085765 [0,0,0,1,0,0|2,1,0]=4 242 B8R1.36 CCCNCC1CC1 SBB042821 [0,0,0,1,0,0|2,0,1]=4 243 B8R1.49 C1=CCCC=CCC1 SBB059891 [0,0,0,1,0,0|1,0,2]=4 244 B8R1.49 C1=CCCCCCC1 SBB059890 [0,0,0,1,0,0|1,0,0]=2 245 B8R1.49 C1CCCNCCC1 SBB059854 [0,0,0,1,0,0|1,0,1]=3 246 B5R0.2 BrCCCCBr SBB060204 [2,0,0,0,0,0|2,0,0]=4 247 B5R0.2 CCCCCBr SBB059933 [2,0,0,0,0,0|1,0,0]=3 248 B5R0.2 CCCCCCl SBB059951 [2,0,0,0,0,0|1,0,0]=3 249 B5R0.2 CCNNCC SBB069584 [2,0,0,0,0,0|2,0,0]=4 250 B5R0.2 CCOCCBr SBB008332 [2,0,0,0,0,0|2,0,0]=4 251 B5R0.2 CCOCCCl SBB061015 [2,0,0,0,0,0|2,0,0]=4 252 B5R0.2 CCOCCN SBB072161 [2,0,0,0,0,0|2,0,0]=4 253 B5R0.2 CCSCCN SBB017894 [2,0,0,0,0,0|2,0,0]=4 254 B5R0.2 CNCCCN SBB059823 [2,0,0,0,0,0|2,0,0]=4 255 B5R0.2 CSCCCO SBB056451 [2,0,0,0,0,0|1,0,1]=4 256 B5R0.2 FCCCCBr SBB087044 [2,0,0,0,0,0|2,0,0]=4 257 B5R0.2 NCCCCN SBB059998 [2,0,0,0,0,0|2,0,0]=4 258 B5R0.2 OCCCCCl SBB002444 [2,0,0,0,0,0|1,0,1]=4 259 B7R0.3 C=C(CC)CCCC SBB060475 [1,1,0,0,0,0|0,0,2]=4 260 B7R0.3 C=CC(O)CCCC SBB008778 [1,1,0,0,0,0|0,0,1]=3 261 B7R0.3 CC(CN)CCCN SBB058625 [1,1,0,0,0,0|2,0,0]=4 262 B7R0.3 CCCCC(Cl)CCl SBB060394 [1,1,0,0,0,0|1,0,0]=3 263 B7R0.3 CCN(C)CCCO SBB046555 [1,1,0,0,0,0|1,0,1]=4 264 B7R0.3 CCNCC(O)CC SBB072921 [1,1,0,0,0,0|1,0,1]=4 265 B7R0.3 CCOCC(O)CN SBB017905 [1,1,0,0,0,0|2,0,0]=4 266 B7R0.3 OC[C@H](CCSC)N SBB006701 [1,1,0,0,0,0|1,0,1]=4 267 B7R0.4 C#CCCCC(=O)O SBB009090 [1,1,0,0,0,0|0,0,2]=4 268 B7R0.4 CC(C)CCCCBr SBB008833 [1,1,0,0,0,0|1,0,0]=3 269 B7R0.4 CC(C)OCCCN SBB061717 [1,1,0,0,0,0|2,0,0]=4 270 B7R0.4 CC(Cl)COCCCl SBB056511 [1,1,0,0,0,0|2,0,0]=4 271 B7R0.4 CCCC#CC(=O)O SBB009091 [1,1,0,0,0,0|0,0,2]=4 272 B7R0.4 CCCCCC(=O)Cl SBB060011 [1,1,0,0,0,0|0,0,0]=2 273 B7R0.4 CCCCCC(=O)O SBB053586 [1,1,0,0,0,0|0,0,0]=2 274 B7R0.4 CCCCCC(C)=O SBB061125 [1,1,0,0,0,0|0,0,0]=2 275 B7R0.4 CCCCCC(N)=O SBB061056 [1,1,0,0,0,0|0,0,0]=2 276 B7R0.4 CCCCNC(N)=S SBB028242 [1,1,0,0,0,0|1,1,0]=4 277 B7R0.4 CCCCOC(Cl)Cl SBB060510 [1,1,0,0,0,0|2,0,0]=4 278 B7R0.4 CCCCOC(N)=O SBB060819 [1,1,0,0,0,0|1,0,0]=3 279 B7R0.4 CCCOCC(C)O SBB061007 [1,1,0,0,0,0|1,0,1]=4 280 B7R0.4 CCC\C=C\C(=O)O SBB009088 [1,1,0,0,0,0|0,0,2]=4 281 B7R0.4 CCOCCC(=O)O SBB053607 [1,1,0,0,0,0|1,0,0]=3 282 B7R0.4 CN(C)CCCCN SBB008514 [1,1,0,0,0,0|2,0,0]=4 283 B7R0.4 COCCOC(C)=O SBB060999 [1,1,0,0,0,0|2,0,0]=4 284 B7R0.4 NCCCCC(=O)O SBB061559 [1,1,0,0,0,0|1,0,0]=3 285 B7R0.4 O=C(O)CCCCBr SBB061343 [1,1,0,0,0,0|1,0,0]=3 286 B7R0.4 O=C(O)CCCCCl SBB061215 [1,1,0,0,0,0|1,0,0]=3 287 B7R0.4 OC(=O)C\C=C/CC SBB006610 [1,1,0,0,0,0|0,0,2]=4 288 B7R0.4 [NH2+]=C(N)SCCCC SBB060794 [1,1,0,0,0,0|2,0,0]=4 289 B7R0.7 CCCC(=O)CCC SBB060386 [1,1,0,0,0,0|0,0,2]=4 290 B7R0.7 CCCC(N)CCC SBB018801 [1,1,0,0,0,0|0,0,1]=3 291 B7R0.7 CCCC(O)CCC SBB061327 [1,1,0,0,0,0|0,0,1]=3 292 B7R0.7 CCCN(C)CCC SBB061592 [1,1,0,0,0,0|1,0,1]=4 293 B7R0.7 CCNC(C)CCO SBB046562 [1,1,0,0,0,0|1,0,1]=4 294 B9R0.4 COCCN(C)CC(=O)O SBB046598 [0,2,0,0,0,0|2,0,0]=4 295 B9R0.5 C=CCOCC(O)CNC SBB027842 [0,2,0,0,0,0|2,0,0]=4 296 B9R0.5 CCCCCC(=O)CCC SBB005828 [0,2,0,0,0,0|1,0,1]=4 297 B9R0.18 CCCCC(=O)CCCC SBB060073 [0,2,0,0,0,0|1,0,1]=4 298 B9R0.18 CCCCN(C)CCCC SBB061560 [0,2,0,0,0,0|1,0,1]=4 299 B9R0.18 CCCCS(=O)CCCC SBB060669 [0,2,0,0,0,0|1,0,1]=4 300 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [0,2,0,0,0,0|0,0,1]=3 301 B9R0.2 CC(=O)OCCOCCCl SBB060310 [0,2,0,0,0,0|2,0,0]=4 302 B9R0.2 CCCCCCCC(=O)Cl SBB060013 [0,2,0,0,0,0|0,0,0]=2 303 B9R0.2 CCCCCCCC(=O)O SBB060020 [0,2,0,0,0,0|0,0,0]=2 304 B9R0.2 CCCCCCCC(C)=O SBB061540 [0,2,0,0,0,0|0,0,0]=2 305 B9R0.2 CCCCCCCC(C)O SBB008521 [0,2,0,0,0,0|0,0,2]=4 306 B9R0.2 CCCCCCCC(N)=O SBB061055 [0,2,0,0,0,0|0,0,0]=2 307 B9R0.2 CCCCCCCN(C)C SBB061364 [0,2,0,0,0,0|1,0,1]=4 308 B9R0.2 CCCCCCNC(N)=S SBB028342 [0,2,0,0,0,0|0,1,0]=3 309 B9R0.2 CCCCCCOC(C)=O SBB060306 [0,2,0,0,0,0|0,0,0]=2 310 B9R0.2 CCCCSCCC(=O)O SBB001705 [0,2,0,0,0,0|0,0,0]=2 311 B9R0.2 COCCNCCC(N)=O SBB116772 [0,2,0,0,0,0|1,0,0]=3 312 B9R0.2 NCCCCCCC(=O)O SBB072673 [0,2,0,0,0,0|0,0,0]=2 313 B9R0.2 O=C(O)CCCCCCO SBB059715 [0,2,0,0,0,0|0,0,0]=2 314 B9R0.2 [NH2+]=C(N)SCCCCCC SBB060417 [0,2,0,0,0,0|1,0,0]=3 315 B9R0.45 BrCCCCCCCCBr SBB060805 [0,2,0,0,0,0|1,0,1]=4 316 B9R0.45 C#CCCCCCCC#C SBB008879 [0,2,0,0,0,0|1,0,1]=4 317 B9R0.45 C#CCCCCCCCC SBB008883 [0,2,0,0,0,0|1,0,1]=4 318 B9R0.45 C(=O)\C=C\CCCCCC SBB006609 [0,2,0,0,0,0|0,0,0]=2 319 B9R0.45 C(=O)\C=C\CC\C=C/CC SBB006611 [0,2,0,0,0,0|0,0,2]=4 320 B9R0.45 C=CCCCCCCCC SBB058674 [0,2,0,0,0,0|1,0,0]=3 321 B9R0.45 CCCCCC#CCCO SBB009142 [0,2,0,0,0,0|0,0,2]=4 322 B9R0.45 CCCCCCC#CCO SBB009144 [0,2,0,0,0,0|0,0,2]=4 323 B9R0.45 CCCCCCCCC=O SBB059872 [0,2,0,0,0,0|0,0,0]=2 324 B9R0.45 CCCCCCCCCBr SBB059939 [0,2,0,0,0,0|1,0,1]=4 325 B9R0.45 CCCCCCCCCCl SBB059956 [0,2,0,0,0,0|1,0,1]=4 326 B9R0.45 CCCCCCCCCN SBB059987 [0,2,0,0,0,0|1,0,1]=4 327 B9R0.45 CCCCCCCCCO SBB059907 [0,2,0,0,0,0|0,0,2]=4 328 B9R0.45 CCCCCCCCOC SBB061156 [0,2,0,0,0,0|0,0,2]=4 329 B9R0.45 CCCCCCCOC=O SBB060303 [0,2,0,0,0,0|0,0,0]=2 330 B9R0.45 CCCCCCNCCN SBB058822 [0,2,0,0,0,0|1,0,1]=4 331 B9R0.45 CCCCCCNCCO SBB007879 [0,2,0,0,0,0|0,0,2]=4 332 B9R0.45 CCCCCCOCCCl SBB060218 [0,2,0,0,0,0|1,0,1]=4 333 B9R0.45 CCCCCCOCCO SBB060173 [0,2,0,0,0,0|0,0,2]=4 334 B9R0.45 CCCCCCSCCO SBB060444 [0,2,0,0,0,0|0,0,2]=4 335 B9R0.45 CCCCCNCCCC SBB059765 [0,2,0,0,0,0|1,0,1]=4 336 B9R0.45 CCCCCOCCC#N SBB061167 [0,2,0,0,0,0|1,0,1]=4 337 B9R0.45 CCCCNCCOCC SBB056553 [0,2,0,0,0,0|1,0,1]=4 338 B9R0.45 CCCCSSCCCC SBB060118 [0,2,0,0,0,0|1,0,1]=4 339 B9R0.45 CCCNCCOCCO SBB059816 [0,2,0,0,0,0|0,0,2]=4 340 B9R0.45 CCCOCCOCCCl SBB061386 [0,2,0,0,0,0|1,0,1]=4 341 B9R0.45 CCSCCCCSCC SBB061079 [0,2,0,0,0,0|1,0,1]=4 342 B9R0.45 ClCCCCCCCCCl SBB008751 [0,2,0,0,0,0|1,0,1]=4 343 B9R0.45 N#CCCCCCCC#N SBB058840 [0,2,0,0,0,0|1,0,1]=4 344 B9R0.45 NCCCCCCCCN SBB058725 [0,2,0,0,0,0|1,0,1]=4 345 B9R0.45 OCCCCCCCCO SBB060739 [0,2,0,0,0,0|0,0,2]=4 346 B9R0.45 [NH2+](CCCC)CCCCC SBB061636 [0,2,0,0,0,0|1,0,1]=4 347 B9R0.46 CCCCC#CC(=O)OC SBB009075 [0,2,0,0,0,0|0,0,2]=4 348 B9R0.46 CCCCCCC(=O)CC SBB007744 [0,2,0,0,0,0|0,0,0]=2 349 B9R0.46 CCCCCCC(=O)NN SBB021011 [0,2,0,0,0,0|0,0,0]=2 350 B9R0.46 CCCCCCC(=O)OC SBB060317 [0,2,0,0,0,0|0,0,0]=2 351 B9R0.46 CCCCCCC(Cl)CCl SBB059980 [0,2,0,0,0,0|1,0,1]=4 352 B9R0.46 CCCCCNC(=O)CCl SBB017391 [0,2,0,0,0,0|1,0,0]=3 353 B9R0.46 CCCCCOC(=O)CC SBB058817 [0,2,0,0,0,0|1,0,0]=3 354 B9R0.46 CCCCCOC(=O)CCl SBB060707 [0,2,0,0,0,0|1,0,0]=3 355 B9R0.46 CCCCCOC(=O)CS SBB061204 [0,2,0,0,0,0|1,0,0]=3 356 B9R0.46 CCCCOCC(O)CC SBB061149 [0,2,0,0,0,0|1,0,1]=4 357 B9R0.46 CCCCOCC(O)CCl SBB059972 [0,2,0,0,0,0|1,0,1]=4 358 B9R0.46 CCCCOCC(O)CO SBB060185 [0,2,0,0,0,0|0,0,2]=4 359 B9R0.46 COC(=O)CCCCCN SBB003739 [0,2,0,0,0,0|1,0,0]=3 360 B9R0.46 COCCCNC(=O)CCl SBB017961 [0,2,0,0,0,0|2,0,0]=4 361 B9R0.46 NNC(=O)CCCCCO SBB072600 [0,2,0,0,0,0|1,0,0]=3 362 B9R0.1 CCC(C)NCCC(N)=O SBB116742 [0,2,0,0,0,0|1,0,0]=3 363 B9R0.1 COC(=O)CCCC(=O)Cl SBB067933 [0,2,0,0,0,0|1,0,1]=4 364 B9R0.1 COC(=O)CCCC(=O)O SBB007943 [0,2,0,0,0,0|1,0,1]=4 365 B9R0.47 CCCCCC(Cl)C(C)Cl SBB060458 [0,2,0,0,0,0|1,0,1]=4 366 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB003731 [0,2,0,0,0,0|1,0,0]=3 367 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB062859 [0,2,0,0,0,0|1,0,0]=3 368 B9R0.47 NCCCC[C@H](N)C(=O)O SBB062982 [0,2,0,0,0,0|1,0,0]=3 369 B9R0.50 CCCCCC(CO)CO SBB059213 [0,2,0,0,0,0|0,0,2]=4 370 B9R0.38 CCCCCCP(=O)(O)O SBB057477 [0,2,0,0,0,0|1,0,0]=3 371 B9R0.55 CC(=O)CCCCC(=O)O SBB068339 [0,2,0,0,0,0|0,0,1]=3 372 B9R0.55 CC(=O)CCCOC(C)=O SBB001556 [0,2,0,0,0,0|1,0,1]=4 373 B9R0.55 CC(=O)NCCCC(=O)O SBB028464 [0,2,0,0,0,0|1,0,1]=4 374 B9R0.55 CC(C)CCCCC(=O)O SBB065917 [0,2,0,0,0,0|0,0,0]=2 375 B9R0.55 NC(=O)CCCCC(N)=O SBB040916 [0,2,0,0,0,0|1,0,1]=4 376 B9R0.55 O=C(Cl)CCCCC(=O)Cl SBB058892 [0,2,0,0,0,0|1,0,1]=4 377 B9R0.55 O=C(O)CCCCC(=O)O SBB040846 [0,2,0,0,0,0|1,0,1]=4 378 B7R1.1 BrCC1CCCC1 SBB054968 [1,0,0,1,0,0|1,0,0]=3 379 B7R1.1 BrCC1CCCO1 SBB003909 [1,0,0,1,0,0|1,0,1]=4 380 B7R1.1 ClCC1CCCN1 SBB018633 [1,0,0,1,0,0|2,0,0]=4 381 B7R1.1 ClCC1CCCO1 SBB008957 [1,0,0,1,0,0|1,0,1]=4 382 B7R1.1 N#CC1CCCC1 SBB008886 [1,0,0,1,0,0|1,0,1]=4 383 B7R1.1 NCC1CCCO1 SBB028168 [1,0,0,1,0,0|1,0,1]=4 384 B7R1.1 NNC1CCCC1 SBB301621 [1,0,0,1,0,0|2,0,0]=4 385 B7R1.1 O=CC1CCCC1 SBB069481 [1,0,0,1,0,0|0,0,0]=2 386 B7R1.1 O=CC1CCOC1 SBB052278 [1,0,0,1,0,0|1,0,0]=3 387 B7R1.1 OCC1CCCC1 SBB008516 [1,0,0,1,0,0|0,0,1]=3 388 B7R1.1 OCC1CCCO1 SBB058567 [1,0,0,1,0,0|1,0,1]=4 389 B7R1.1 OCC1CCNC1 SBB046413 [1,0,0,1,0,0|1,0,1]=4 390 B7R1.1 OC[C@H]1CCCN1 SBB027252 [1,0,0,1,0,0|1,0,1]=4 391 B7R1.3 BrC1C=CCCC1 SBB007864 [1,0,0,1,0,0|1,0,1]=4 392 B7R1.3 BrC1CCCCC1 SBB059944 [1,0,0,1,0,0|1,0,0]=3 393 B7R1.3 BrC1CCNCC1 SBB054613 [1,0,0,1,0,0|2,0,0]=4 394 B7R1.3 CC1CC=CCC1 SBB060473 [1,0,0,1,0,0|1,0,1]=4 395 B7R1.3 CC1CCCCC1 SBB061163 [1,0,0,1,0,0|0,0,1]=3 396 B7R1.3 CC1SCCCS1 SBB056211 [1,0,0,1,0,0|1,1,0]=4 397 B7R1.3 CN1CCCCC1 SBB060237 [1,0,0,1,0,0|1,0,1]=4 398 B7R1.3 ClC1CCOCC1 SBB070678 [1,0,0,1,0,0|2,0,0]=4 399 B7R1.3 FC1CCCNC1 SBB070684 [1,0,0,1,0,0|2,0,0]=4 400 B7R1.3 FC1CCNCC1 SBB070685 [1,0,0,1,0,0|2,0,0]=4 401 B7R1.3 N1CCC(C)CC1 SBB027302 [1,0,0,1,0,0|1,0,1]=4 402 B7R1.3 N1CCCC(C)C1 SBB027301 [1,0,0,1,0,0|1,0,1]=4 403 B7R1.3 N1CCCC(O)C1 SBB004193 [1,0,0,1,0,0|1,0,1]=4 404 B7R1.3 N1CCCCC1C SBB027300 [1,0,0,1,0,0|1,0,0]=3 405 B7R1.3 N1CCNC(C)C1 SBB027299 [1,0,0,1,0,0|2,0,0]=4 406 B7R1.3 NC1CCCCC1 SBB040492 [1,0,0,1,0,0|1,0,0]=3 407 B7R1.3 NC1CCCNC1 SBB052004 [1,0,0,1,0,0|2,0,0]=4 408 B7R1.3 NC1CCCOC1 SBB012974 [1,0,0,1,0,0|2,0,0]=4 409 B7R1.3 NC1CCNCC1 SBB028166 [1,0,0,1,0,0|2,0,0]=4 410 B7R1.3 NC1CCOCC1 SBB014873 [1,0,0,1,0,0|2,0,0]=4 411 B7R1.3 NC1CCOCC1 SBB069906 [1,0,0,1,0,0|2,0,0]=4 412 B7R1.3 NN1CCCCC1 SBB067336 [1,0,0,1,0,0|2,0,0]=4 413 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [1,0,0,1,0,0|2,0,0]=4 414 B7R1.3 N[C@H]1CCCNC1 SBB017596 [1,0,0,1,0,0|2,0,0]=4 415 B7R1.3 O=C1C=CCCC1 SBB008209 [1,0,0,1,0,0|0,0,2]=4 416 B7R1.3 O=C1CCCCC1 SBB060074 [1,0,0,1,0,0|0,0,0]=2 417 B7R1.3 O=C1CCCCO1 SBB060349 [1,0,0,1,0,0|1,0,0]=3 418 B7R1.3 O=C1CCOCC1 SBB049627 [1,0,0,1,0,0|1,0,0]=3 419 B7R1.3 O=C1CCSCC1 SBB048121 [1,0,0,1,0,0|1,0,0]=3 420 B7R1.3 O=C1CNCCN1 SBB000034 [1,0,0,1,0,0|2,0,0]=4 421 B7R1.3 OC1CCCCC1 SBB060483 [1,0,0,1,0,0|0,0,1]=3 422 B7R1.3 OC1CCCCO1 SBB055947 [1,0,0,1,0,0|1,0,1]=4 423 B7R1.3 OC1CCCNC1 SBB027351 [1,0,0,1,0,0|1,0,1]=4 424 B7R1.3 OC1CCNCC1 SBB027346 [1,0,0,1,0,0|1,0,1]=4 425 B7R1.3 OC1CCOCC1 SBB055945 [1,0,0,1,0,0|1,0,1]=4 426 B7R1.4 BrC1CCCC1Br SBB060684 [1,0,0,1,0,0|2,0,0]=4 427 B7R1.4 CN1CCCC1=O SBB060297 [1,0,0,1,0,0|1,0,0]=3 428 B7R1.4 ClC1CCCC1Cl SBB060212 [1,0,0,1,0,0|2,0,0]=4 429 B7R1.4 NC1CCOC1=O SBB004366 [1,0,0,1,0,0|2,0,0]=4 430 B7R1.4 NC1CCOC1=O SBB057192 [1,0,0,1,0,0|2,0,0]=4 431 B7R1.4 NC1CCSC1=O SBB004035 [1,0,0,1,0,0|2,0,0]=4 432 B7R1.4 O=C1OCCC1Br SBB083094 [1,0,0,1,0,0|2,0,0]=4 433 B7R1.4 OC1CCCC1Cl SBB060196 [1,0,0,1,0,0|1,0,1]=4 434 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [1,0,0,1,0,0|1,0,1]=4 435 B7R1.6 N#CCC1CCC1 SBB071683 [1,0,0,1,0,0|1,0,1]=4 436 B7R1.7 CCCCC1CO1 SBB017137 [1,0,0,1,0,0|0,0,1]=3 437 B7R1.24 C1=CCCCCC1 SBB059889 [1,0,0,1,0,0|0,0,1]=3 438 B7R1.24 C1CCCCCC1 SBB060406 [1,0,0,1,0,0|0,0,1]=3 439 B7R1.24 C1CNCCNC1 SBB004367 [1,0,0,1,0,0|2,0,0]=4 440 B7R1.24 C1CNCCOC1 SBB049498 [1,0,0,1,0,0|1,0,1]=4 441 B7R1.24 N1CCCCCC1 SBB027297 [1,0,0,1,0,0|1,0,0]=3 442 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [0,1,0,1,0,0|1,0,0]=3 443 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [0,1,0,1,0,0|1,0,0]=3 444 B9R1.8 BrCCC1CCCCN1 SBB018737 [0,1,0,1,0,0|1,0,1]=4 445 B9R1.8 C(=O)NC1CCCCC1 SBB007682 [0,1,0,1,0,0|0,0,0]=2 446 B9R1.8 C=CCN1CCNCC1 SBB010066 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.8 CCCC1CCCCN1 SBB017578 [0,1,0,1,0,0|1,0,1]=4 448 B9R1.8 CCCC1CCCCN1 SBB050937 [0,1,0,1,0,0|1,0,1]=4 449 B9R1.8 CCCC1OCCCO1 SBB060994 [0,1,0,1,0,0|0,0,2]=4 450 B9R1.8 CCCN1CCCCC1 SBB061042 [0,1,0,1,0,0|1,0,1]=4 451 B9R1.8 COCC1CCCNC1 SBB050890 [0,1,0,1,0,0|2,0,0]=4 452 B9R1.8 ClCCN1CCCCC1 SBB056102 [0,1,0,1,0,0|1,0,1]=4 453 B9R1.8 N#CCC1CCCCO1 SBB071717 [0,1,0,1,0,0|1,0,1]=4 454 B9R1.8 N#CCC1CCCOC1 SBB027169 [0,1,0,1,0,0|1,0,1]=4 455 B9R1.8 N#CCN1CCCCC1 SBB017050 [0,1,0,1,0,0|1,0,1]=4 456 B9R1.8 NCCC1CCCCC1 SBB051424 [0,1,0,1,0,0|1,0,1]=4 457 B9R1.8 NCCC1CCCCO1 SBB072556 [0,1,0,1,0,0|0,0,2]=4 458 B9R1.8 NCCC1CCCOC1 SBB050548 [0,1,0,1,0,0|1,0,1]=4 459 B9R1.8 NCCN1CCCCC1 SBB058602 [0,1,0,1,0,0|1,0,1]=4 460 B9R1.8 O=C=NC1CCCCC1 SBB060893 [0,1,0,1,0,0|0,0,1]=3 461 B9R1.8 OCCC1CCCCN1 SBB027305 [0,1,0,1,0,0|0,0,2]=4 462 B9R1.8 OCCC1CCNCC1 SBB027320 [0,1,0,1,0,0|0,0,2]=4 463 B9R1.8 OCCN1CCCCC1 SBB040888 [0,1,0,1,0,0|0,0,2]=4 464 B9R1.8 S=C=NC1CCCCC1 SBB014110 [0,1,0,1,0,0|0,1,1]=4 465 B9R1.12 CCCCN1CCCC1 SBB061041 [0,1,0,1,0,0|1,0,1]=4 466 B9R1.12 CCCNC1CCCC1 SBB080044 [0,1,0,1,0,0|1,0,1]=4 467 B9R1.12 CCNCC1CCCO1 SBB080022 [0,1,0,1,0,0|0,0,2]=4 468 B9R1.12 N#CCCN1CCCC1 SBB047435 [0,1,0,1,0,0|1,0,1]=4 469 B9R1.12 NCCCC1CCOC1 SBB012984 [0,1,0,1,0,0|1,0,1]=4 470 B9R1.12 NCCCN1CCCC1 SBB005799 [0,1,0,1,0,0|1,0,1]=4 471 B9R1.15 CCC1CCCOC1=O SBB061552 [0,1,0,1,0,0|0,0,0]=2 472 B9R1.15 CCC1NCCNC1=O SBB010255 [0,1,0,1,0,0|1,0,0]=3 473 B9R1.15 CN1CCCCC1CBr SBB018986 [0,1,0,1,0,0|1,0,1]=4 474 B9R1.15 CN1CCCCC1CCl SBB054961 [0,1,0,1,0,0|1,0,1]=4 475 B9R1.15 CN1CCCCC1CN SBB085728 [0,1,0,1,0,0|1,0,1]=4 476 B9R1.15 CN1CCCCC1CO SBB062716 [0,1,0,1,0,0|0,0,2]=4 477 B9R1.15 CN[C@H]1CCCC[C@@H]1O SBB302548 [0,1,0,1,0,0|0,0,2]=4 478 B9R1.15 CN[C@H]1CCCC[C@H]1O SBB302547 [0,1,0,1,0,0|0,0,2]=4 479 B9R1.15 COC1CCCNC1=O SBB056098 [0,1,0,1,0,0|1,0,0]=3 480 B9R1.15 O=C1CCCCC1CO SBB054864 [0,1,0,1,0,0|0,0,0]=2 481 B9R1.33 CN1CCCC1CCO SBB056164 [0,1,0,1,0,0|0,0,2]=4 482 B9R1.33 NCCN1CCCC1=O SBB300961 [0,1,0,1,0,0|1,0,0]=3 483 B9R1.33 NCCN1CCNC1=O SBB018890 [0,1,0,1,0,0|2,0,0]=4 484 B9R1.33 NN1CCC[C@@H]1COC SBB017518 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.33 NN1CCC[C@H]1COC SBB017520 [0,1,0,1,0,0|2,0,0]=4 486 B9R1.33 O=C1CCCN1CCCl SBB010314 [0,1,0,1,0,0|1,0,0]=3 487 B9R1.33 O=C1NCCN1CCO SBB008288 [0,1,0,1,0,0|2,0,0]=4 488 B9R1.33 O=C1OCCN1CCO SBB007726 [0,1,0,1,0,0|2,0,0]=4 489 B9R1.48 O=C1CCCCC(=O)C1 SBB056238 [0,1,0,1,0,0|0,0,1]=3 490 B9R1.49 O=C1CCC(=O)COC1 SBB000058 [0,1,0,1,0,0|1,0,1]=4 491 B9R1.50 NC1CCCCCCC1 SBB004245 [0,1,0,1,0,0|1,0,1]=4 492 B9R1.50 O=C1CCCCCCC1 SBB008888 [0,1,0,1,0,0|0,0,0]=2 493 B9R1.50 OC1CCCCCCC1 SBB058905 [0,1,0,1,0,0|0,0,2]=4 494 B9R1.69 CC1CN(C)CCC1=O SBB001724 [0,1,0,1,0,0|1,0,0]=3 495 B9R1.134 NCCC1(O)CCCC1 SBB050900 [0,1,0,1,0,0|1,0,1]=4 496 B9R1.5 CN1CCCCCC1=O SBB056535 [0,1,0,1,0,0|0,0,0]=2 497 B9R1.5 NC1CCCCNC1=O SBB056282 [0,1,0,1,0,0|1,0,0]=3 498 B9R1.5 N[C@H]1CSCCNC1=O SBB069999 [0,1,0,1,0,0|2,0,0]=4 499 B9R1.5 O=C1CCCCCN1Br SBB057855 [0,1,0,1,0,0|1,0,0]=3 500 B9R1.14 CCN1CCCC1CN SBB048031 [0,1,0,1,0,0|1,0,1]=4 501 B9R1.14 CCN1CCCC1CO SBB108758 [0,1,0,1,0,0|0,0,2]=4 502 B9R1.83 CCCCCCC1CO1 SBB017138 [0,1,0,1,0,0|0,0,2]=4 503 B9R1.83 CCCCOCC1CO1 SBB060096 [0,1,0,1,0,0|0,0,2]=4 504 B9R1.89 CCN1CCCCCC1 SBB056278 [0,1,0,1,0,0|1,0,1]=4 505 B9R1.89 N#CC1CCCCCC1 SBB008917 [0,1,0,1,0,0|1,0,1]=4 506 B9R1.89 O=CC1CCCCCC1 SBB059644 [0,1,0,1,0,0|0,0,0]=2 507 B9R1.89 O=CN1CCCNCC1 SBB040967 [0,1,0,1,0,0|1,0,0]=3 508 B9R1.1 CCC1CCC(C)NC1 SBB085696 [0,1,0,1,0,0|2,0,0]=4 509 B9R1.1 CCC1CCC(N)CC1 SBB085697 [0,1,0,1,0,0|1,0,1]=4 510 B9R1.1 CCC1CCC(O)CC1 SBB058793 [0,1,0,1,0,0|1,0,1]=4 511 B9R1.3 CC1CCCC(C)C1=O SBB059688 [0,1,0,1,0,0|0,0,0]=2 512 B9R1.3 CC1CCCC(C)N1N SBB061736 [0,1,0,1,0,0|2,0,0]=4 513 B9R1.3 CC1CCCC(N)C1C SBB061727 [0,1,0,1,0,0|1,0,1]=4 514 B9R1.3 CN1CCCN(C)C1=O SBB058374 [0,1,0,1,0,0|2,0,0]=4 515 B9R1.3 O=C1CCCC(=O)C1Br SBB038106 [0,1,0,1,0,0|1,0,1]=4 516 B9R1.118 C#CC1(Cl)CCCCC1 SBB001933 [0,1,0,1,0,0|1,0,1]=4 517 B9R1.118 C#CC1(N)CCCCC1 SBB002516 [0,1,0,1,0,0|1,0,1]=4 518 B9R1.118 C#CC1(O)CCCCC1 SBB008829 [0,1,0,1,0,0|1,0,1]=4 519 B9R1.118 OC1(CN)CCCCC1 SBB005863 [0,1,0,1,0,0|1,0,1]=4 520 B9R1.118 OCC1(F)CCCCC1 SBB054863 [0,1,0,1,0,0|0,0,2]=4 521 B9R1.6 CC(=O)C1CCOCC1 SBB055952 [0,1,0,1,0,0|1,0,0]=3 522 B9R1.6 CC(=O)N1CCNCC1 SBB027339 [0,1,0,1,0,0|2,0,0]=4 523 B9R1.6 CC(C)C1CCCCC1 SBB061161 [0,1,0,1,0,0|1,0,1]=4 524 B9R1.6 CN(C)C1CCCCC1 SBB060234 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.6 C[C@@H](N)C1CCCCC1 SBB028230 [0,1,0,1,0,0|1,0,1]=4 526 B9R1.6 N=C(N)N1CCCCC1 SBB056068 [0,1,0,1,0,0|2,0,0]=4 527 B9R1.6 N=C(N)N1CCCCC1 SBB056091 [0,1,0,1,0,0|2,0,0]=4 528 B9R1.6 NC(=O)C1CC=CCC1 SBB056263 [0,1,0,1,0,0|0,0,2]=4 529 B9R1.6 NC(=O)C1CCCCC1 SBB008414 [0,1,0,1,0,0|0,0,0]=2 530 B9R1.6 NC(=O)C1CCCCN1 SBB085724 [0,1,0,1,0,0|1,0,0]=3 531 B9R1.6 NC(=O)C1CCCNC1 SBB004239 [0,1,0,1,0,0|1,0,0]=3 532 B9R1.6 NC(=O)C1CCCOC1 SBB047762 [0,1,0,1,0,0|1,0,0]=3 533 B9R1.6 NC(=O)C1CCNCC1 SBB004237 [0,1,0,1,0,0|1,0,0]=3 534 B9R1.6 NC(=O)C1CCOCC1 SBB055946 [0,1,0,1,0,0|1,0,0]=3 535 B9R1.6 NC(=O)C1CNCCN1 SBB056122 [0,1,0,1,0,0|2,0,0]=4 536 B9R1.6 NC(=O)N1CCNCC1 SBB010258 [0,1,0,1,0,0|2,0,0]=4 537 B9R1.6 NC(=O)N1CCNCC1 SBB087950 [0,1,0,1,0,0|2,0,0]=4 538 B9R1.6 NC(=S)N1CCCCC1 SBB028272 [0,1,0,1,0,0|1,1,0]=4 539 B9R1.6 O=C(Cl)C1CC=CCC1 SBB053674 [0,1,0,1,0,0|0,0,2]=4 540 B9R1.6 O=C(Cl)C1CCCCC1 SBB040626 [0,1,0,1,0,0|0,0,0]=2 541 B9R1.6 O=C(Cl)C1CCOCC1 SBB062712 [0,1,0,1,0,0|1,0,0]=3 542 B9R1.6 O=C(Cl)N1CCOCC1 SBB061723 [0,1,0,1,0,0|2,0,0]=4 543 B9R1.6 O=C(O)C1CCCCC1 SBB008550 [0,1,0,1,0,0|0,0,0]=2 544 B9R1.6 O=C(O)C1CCCCO1 SBB027215 [0,1,0,1,0,0|1,0,0]=3 545 B9R1.6 O=C(O)C1CCCNC1 SBB027313 [0,1,0,1,0,0|1,0,0]=3 546 B9R1.6 O=C(O)C1CCCOC1 SBB014997 [0,1,0,1,0,0|1,0,0]=3 547 B9R1.6 O=C(O)C1CCNCC1 SBB003906 [0,1,0,1,0,0|1,0,0]=3 548 B9R1.6 O=C(O)C1CCNCC1 SBB004231 [0,1,0,1,0,0|1,0,0]=3 549 B9R1.6 O=C(O)C1CCOCC1 SBB027643 [0,1,0,1,0,0|1,0,0]=3 550 B9R1.6 O=C(O)C1CCSCC1 SBB053436 [0,1,0,1,0,0|1,0,0]=3 551 B9R1.6 O=C(O)C1CCSCN1 SBB014841 [0,1,0,1,0,0|2,0,0]=4 552 B9R1.6 O=C(O)C1CNCCO1 SBB053358 [0,1,0,1,0,0|2,0,0]=4 553 B9R1.6 O=C(O)C1CNCCS1 SBB053351 [0,1,0,1,0,0|2,0,0]=4 554 B9R1.6 O=C(O)C1CSCCN1 SBB053350 [0,1,0,1,0,0|2,0,0]=4 555 B9R1.6 O=C(O)[C@@H]1CCCCN1 SBB006732 [0,1,0,1,0,0|1,0,0]=3 556 B9R1.6 OB(O)C1CCCCC1 SBB052596 [0,1,0,1,0,0|1,0,1]=4 557 B9R1.6 OC(=O)C1=CCCCC1 SBB006589 [0,1,0,1,0,0|0,0,2]=4 558 B9R1.6 OC(=O)C1CC=CCC1 SBB006583 [0,1,0,1,0,0|0,0,2]=4 559 B9R1.6 OC(=O)C1CNCCN1 SBB004226 [0,1,0,1,0,0|2,0,0]=4 560 B9R1.13 CC(=O)CC1CCCC1 SBB008343 [0,1,0,1,0,0|0,0,0]=2 561 B9R1.13 CC(=O)OC1CCCC1 SBB060737 [0,1,0,1,0,0|1,0,0]=3 562 B9R1.13 O=C(Cl)CC1CCCC1 SBB116687 [0,1,0,1,0,0|0,0,0]=2 563 B9R1.13 O=C(Cl)OC1CCCC1 SBB056243 [0,1,0,1,0,0|1,0,0]=3 564 B9R1.13 O=C(O)CC1CCCC1 SBB080711 [0,1,0,1,0,0|0,0,0]=2 565 B9R1.13 O=C(O)CC1CCCO1 SBB002788 [0,1,0,1,0,0|1,0,0]=3 566 B9R1.13 O=C(O)CN1CCCC1 SBB017909 [0,1,0,1,0,0|1,0,0]=3 567 B9R1.13 O=C(O)C[C@@H]1CCCN1 SBB066746 [0,1,0,1,0,0|1,0,0]=3 568 B9R1.40 CC1(C)NCCNC1=O SBB010254 [0,1,0,1,0,0|2,0,0]=4 569 B9R1.41 CC(=O)C1CCOC1=O SBB040834 [0,1,0,1,0,0|1,0,1]=4 570 B9R1.41 CC(=O)N1CCCC1=O SBB007922 [0,1,0,1,0,0|1,0,1]=4 571 B9R1.41 CN1CCCC1C(=O)O SBB108828 [0,1,0,1,0,0|1,0,0]=3 572 B9R1.84 O=C(O)CCC1CCC1 SBB072391 [0,1,0,1,0,0|0,0,0]=2 573 B9R2.24 C12CCC(CC1)C2Br SBB054711 [0,0,0,2,0,0|1,0,1]=4 574 B9R2.174 C1CCC2(CC1)NN2 SBB069577 [0,0,0,2,0,0|2,0,0]=4 575 B9R2.39 N[C@H]1C[C@@H]2CCC1C2 SBB017219 [0,0,0,2,0,0|1,0,1]=4 576 B9R2.39 O=C1CC2CCC1C2 SBB072159 [0,0,0,2,0,0|0,0,0]=2