0 B8R0.6 C#CC(O)CCCCC SBB009107 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.6 CCC(C)NCCC#N SBB116741 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.6 CCCCCC(=O)CC SBB060388 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.6 CCCCCC(=O)NN SBB021010 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.6 CCCCCC(=O)NO SBB008093 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.6 CCCCCC(=O)OC SBB060591 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.6 CCCCCC(Br)CBr SBB060499 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.6 CCCCCC(O)CC SBB059904 [0,0,0,0,0,0|0,0,0]=0 8 B8R0.6 CCCCNC(=O)CCl SBB010319 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.6 CCCCOC(=O)CC SBB060578 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.6 CCCCOC(=O)CCl SBB060760 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.6 CCCCOC(=O)CF SBB085867 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.6 CCCCOC(=O)CS SBB061004 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.6 COC(=O)CCCCBr SBB070759 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.6 OC(CCl)COCCCl SBB056672 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.6 OCCCCC(O)CO SBB061014 [0,0,0,0,0,0|2,0,0]=2 16 B8R0.6 OCCOCC(O)CCl SBB061082 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.1 BrCCCCCCBr SBB060205 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.1 C#CCNCCCC SBB300093 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.1 C=CCCCCCC SBB059884 [1,0,0,0,0,0|0,0,2]=3 20 B7R0.1 C=CCSCCCC SBB058522 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.1 CCCC#CCCO SBB008799 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.1 CCCCC#CCO SBB008796 [1,0,0,0,0,0|1,0,2]=4 23 B7R0.1 CCCCCCC#N SBB060052 [1,0,0,0,0,0|1,0,1]=3 24 B7R0.1 CCCCCCCBr SBB059936 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.1 CCCCCCCCl SBB059954 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.1 CCCCCCCN SBB059985 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.1 CCCCCCOC SBB061157 [1,0,0,0,0,0|1,0,0]=2 28 B7R0.1 CCCCCN=C=S SBB085742 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.1 CCCCCOC=O SBB060301 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.1 CCCCCSC#N SBB060089 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.1 CCCCNCCC SBB059822 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.1 CCCCOCCBr SBB007731 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.1 CCCCOCCCl SBB059964 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.1 CCCCOCCO SBB059918 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.1 CCCCSCCN SBB072659 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.1 CCCCSCCO SBB013616 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.1 CCCCSCCS SBB057435 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.1 CCCNCCC#N SBB059761 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.1 CCCOCCCN SBB056585 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.1 CCCSSCCC SBB058501 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.1 CCNCCCCO SBB052126 [1,0,0,0,0,0|2,0,0]=3 42 B7R0.1 CCNCCNCC SBB072869 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.1 COCCOCCCl SBB059966 [1,0,0,0,0,0|3,0,0]=4 44 B7R0.1 COCCOCCO SBB059920 [1,0,0,0,0,0|3,0,0]=4 45 B7R0.1 COCCOCCS SBB061387 [1,0,0,0,0,0|3,0,0]=4 46 B7R0.1 COCCSCCO SBB061070 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.1 C\C=C\CCCCC SBB059885 [1,0,0,0,0,0|0,0,2]=3 48 B7R0.1 ClCCCCCCCl SBB060213 [1,0,0,0,0,0|2,0,0]=3 49 B7R0.1 N#CCCCCCBr SBB058579 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.1 NCCCCCCN SBB059999 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.1 NCCCNCCN SBB052120 [1,0,0,0,0,0|3,0,0]=4 52 B7R0.1 NCCCNCCO SBB059810 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.1 OCCCCCCBr SBB054752 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.1 OCCCCCCCl SBB060188 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.1 OCCCCCCN SBB006584 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.1 OCCCCCCO SBB059915 [1,0,0,0,0,0|2,0,0]=3 57 B7R0.1 OCCCCCCS SBB058615 [1,0,0,0,0,0|2,0,0]=3 58 B7R0.3 C=C(CC)CCCC SBB060475 [1,0,0,0,0,0|1,0,1]=3 59 B7R0.3 C=CC(O)CCCC SBB008778 [1,0,0,0,0,0|0,0,2]=3 60 B7R0.3 CC(CN)CCCN SBB058625 [1,0,0,0,0,0|3,0,0]=4 61 B7R0.3 CCCCC(Cl)CCl SBB060394 [1,0,0,0,0,0|2,0,0]=3 62 B7R0.3 CCN(C)CCCO SBB046555 [1,0,0,0,0,0|3,0,0]=4 63 B7R0.3 CCNCC(O)CC SBB072921 [1,0,0,0,0,0|1,0,0]=2 64 B7R0.3 CCOCC(O)CN SBB017905 [1,0,0,0,0,0|2,0,0]=3 65 B7R0.3 OC[C@H](CCSC)N SBB006701 [1,0,0,0,0,0|3,0,0]=4 66 B7R0.4 CC(C)CCCCBr SBB008833 [1,0,0,0,0,0|2,0,0]=3 67 B7R0.4 CC(C)OCCCN SBB061717 [1,0,0,0,0,0|3,0,0]=4 68 B7R0.4 CC(Cl)COCCCl SBB056511 [1,0,0,0,0,0|3,0,0]=4 69 B7R0.4 CCCCCC(=O)Cl SBB060011 [1,0,0,0,0,0|1,0,2]=4 70 B7R0.4 CCCCCC(=O)O SBB053586 [1,0,0,0,0,0|1,0,1]=3 71 B7R0.4 CCCCCC(C)=O SBB061125 [1,0,0,0,0,0|0,0,2]=3 72 B7R0.4 CCCCCC(N)=O SBB061056 [1,0,0,0,0,0|1,0,2]=4 73 B7R0.4 CCCCOC(Cl)Cl SBB060510 [1,0,0,0,0,0|3,0,0]=4 74 B7R0.4 CCCOCC(C)O SBB061007 [1,0,0,0,0,0|1,0,0]=2 75 B7R0.4 CCOCCC(=O)O SBB053607 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.4 CN(C)CCCCN SBB008514 [1,0,0,0,0,0|3,0,0]=4 77 B7R0.4 CNCCCN(C)C SBB052125 [1,0,0,0,0,0|3,0,0]=4 78 B7R0.4 COCCNC(C)C SBB302570 [1,0,0,0,0,0|3,0,0]=4 79 B7R0.4 NCCCCC(=O)O SBB061559 [1,0,0,0,0,0|2,0,1]=4 80 B7R0.4 O=C(O)CCCCBr SBB061343 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.4 O=C(O)CCCCCl SBB061215 [1,0,0,0,0,0|2,0,1]=4 82 B9R0.1 C=C(C)C#CCC(O)CC SBB009083 [0,1,0,0,0,0|0,0,3]=4 83 B9R0.1 CC(C)COCC(O)CO SBB059926 [0,1,0,0,0,0|2,0,0]=3 84 B9R0.5 C=CCOCC(O)CNC SBB027842 [0,1,0,0,0,0|1,0,2]=4 85 B9R0.5 CCCCCC(=O)CCC SBB005828 [0,1,0,0,0,0|0,0,2]=3 86 B9R0.5 CCCCCC(=O)OCC SBB060316 [0,1,0,0,0,0|0,0,2]=3 87 B9R0.5 CCCCOC(=O)CCC SBB061107 [0,1,0,0,0,0|1,0,2]=4 88 B9R0.5 CCOC(=O)CCCCBr SBB070781 [0,1,0,0,0,0|1,0,2]=4 89 B9R0.34 CCOC(=O)C[C@H](O)CCl SBB070707 [0,1,0,0,0,0|2,0,1]=4 90 B9R0.46 CCCCCCC(=O)CC SBB007744 [0,1,0,0,0,0|0,0,2]=3 91 B9R0.46 CCCCCCC(=O)OC SBB060317 [0,1,0,0,0,0|1,0,2]=4 92 B9R0.46 CCCCCCC(Cl)CCl SBB059980 [0,1,0,0,0,0|2,0,0]=3 93 B9R0.46 CCCCCNC(=O)CCl SBB017391 [0,1,0,0,0,0|1,0,2]=4 94 B9R0.46 CCCCCOC(=O)CC SBB058817 [0,1,0,0,0,0|0,0,2]=3 95 B9R0.46 CCCCCOC(=O)CCl SBB060707 [0,1,0,0,0,0|1,0,2]=4 96 B9R0.46 CCCCCOC(=O)CS SBB061204 [0,1,0,0,0,0|1,0,2]=4 97 B9R0.46 CCCCOCC(O)CC SBB061149 [0,1,0,0,0,0|0,0,0]=1 98 B9R0.46 CCCCOCC(O)CCl SBB059972 [0,1,0,0,0,0|1,0,0]=2 99 B9R0.46 CCCCOCC(O)CO SBB060185 [0,1,0,0,0,0|1,0,0]=2 100 B9R0.46 COC(=O)CCCCCN SBB003739 [0,1,0,0,0,0|1,0,2]=4 101 B9R0.46 COCCOCC(O)CCl SBB061083 [0,1,0,0,0,0|2,0,0]=3 102 B9R0.47 CCCCCC(=O)N(C)C SBB008014 [0,1,0,0,0,0|1,0,2]=4 103 B9R0.47 CCCCCC(Cl)C(C)Cl SBB060458 [0,1,0,0,0,0|1,0,0]=2 104 B9R0.47 CCCCOC(=O)C(C)Cl SBB056574 [0,1,0,0,0,0|1,0,2]=4 105 B9R0.47 CCCCOC(=O)C(C)O SBB061171 [0,1,0,0,0,0|1,0,2]=4 106 B9R0.50 CCC(CC)COCCCl SBB060526 [0,1,0,0,0,0|3,0,0]=4 107 B9R0.50 CCC(CC)COCCO SBB061090 [0,1,0,0,0,0|3,0,0]=4 108 B9R0.50 CCCCCC(CO)CO SBB059213 [0,1,0,0,0,0|1,0,0]=2 109 B9R0.50 CCN(CC)CCCCN SBB008614 [0,1,0,0,0,0|3,0,0]=4 110 B9R0.50 NCCCCC(CO)CO SBB059701 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.1 CCC1CCC(=O)CC1 SBB059272 [0,0,0,1,0,0|0,0,2]=3 112 B9R1.1 CCC1CCC(C)NC1 SBB085696 [0,0,0,1,0,0|2,0,0]=3 113 B9R1.1 CCC1CCC(N)CC1 SBB085697 [0,0,0,1,0,0|1,0,0]=2 114 B9R1.1 CCC1CCC(O)CC1 SBB058793 [0,0,0,1,0,0|0,0,0]=1 115 B9R1.1 CCN1CCC(=O)CC1 SBB061714 [0,0,0,1,0,0|1,0,2]=4 116 B9R1.1 CCN1CCC(N)CC1 SBB021240 [0,0,0,1,0,0|2,0,0]=3 117 B9R1.1 CN1CCC(CN)CC1 SBB009719 [0,0,0,1,0,0|3,0,0]=4 118 B9R1.1 CN1CCC(CO)CC1 SBB014682 [0,0,0,1,0,0|3,0,0]=4 119 B9R1.1 CNC1CCN(C)CC1 SBB023886 [0,0,0,1,0,0|3,0,0]=4 120 B9R1.1 O=C1CCC(CO)CC1 SBB054860 [0,0,0,1,0,0|1,0,2]=4 121 B9R1.2 CCN1CCCC(N)C1 SBB010256 [0,0,0,1,0,0|3,0,0]=4 122 B9R1.2 CN1CCCC(CN)C1 SBB085275 [0,0,0,1,0,0|3,0,0]=4 123 B9R1.2 CN1CCCC(CO)C1 SBB108760 [0,0,0,1,0,0|3,0,0]=4 124 B9R1.3 CC1CCCC(C)C1=O SBB059688 [0,0,0,1,0,0|2,0,1]=4 125 B9R1.3 CC1CCCC(C)N1N SBB061736 [0,0,0,1,0,0|3,0,0]=4 126 B9R1.3 CC1CCCC(N)C1C SBB061727 [0,0,0,1,0,0|1,0,0]=2 127 B9R1.5 CN1CCCCCC1=O SBB056535 [0,0,0,1,0,0|1,0,2]=4 128 B9R1.7 CCCC1OCC(C)O1 SBB060973 [0,0,0,1,0,0|3,0,0]=4 129 B9R1.11 CC(CN)N1CCCC1 SBB027658 [0,0,0,1,0,0|3,0,0]=4 130 B9R1.11 CC(CO)N1CCCC1 SBB046591 [0,0,0,1,0,0|3,0,0]=4 131 B9R1.11 COC(=O)C1CCCC1 SBB071502 [0,0,0,1,0,0|1,0,2]=4 132 B9R1.21 CCN1CCC(CN)C1 SBB026670 [0,0,0,1,0,0|3,0,0]=4 133 B9R1.50 NC1CCCCCCC1 SBB004245 [0,0,0,1,0,0|1,0,0]=2 134 B9R1.50 O=C1CCCCCCC1 SBB008888 [0,0,0,1,0,0|0,0,2]=3 135 B9R1.50 OC1CCCCCCC1 SBB058905 [0,0,0,1,0,0|0,0,0]=1 136 B9R1.89 CCN1CCCCCC1 SBB056278 [0,0,0,1,0,0|2,0,0]=3 137 B9R1.89 CCN1CCCNCC1 SBB056277 [0,0,0,1,0,0|3,0,0]=4 138 B9R1.89 N#CC1CCCCCC1 SBB008917 [0,0,0,1,0,0|2,0,1]=4 139 B9R1.89 O=CC1CCCCCC1 SBB059644 [0,0,0,1,0,0|2,0,1]=4 140 B9R1.118 C#CC1(Cl)CCCCC1 SBB001933 [0,0,0,1,0,0|1,0,2]=4 141 B9R1.118 C#CC1(N)CCCCC1 SBB002516 [0,0,0,1,0,0|1,0,2]=4 142 B9R1.118 C#CC1(O)CCCCC1 SBB008829 [0,0,0,1,0,0|0,0,2]=3 143 B9R1.118 OC1(CN)CCCCC1 SBB005863 [0,0,0,1,0,0|1,0,0]=2 144 B9R1.118 OCC1(F)CCCCC1 SBB054863 [0,0,0,1,0,0|2,0,0]=3 145 B6R0.6 C#CCCCCC SBB067441 [2,0,0,0,0,0|0,0,2]=4 146 B6R0.6 C#CCCCCO SBB015110 [2,0,0,0,0,0|0,0,2]=4 147 B6R0.6 C=CCCCCC SBB059882 [2,0,0,0,0,0|0,0,2]=4 148 B6R0.6 CCCCCC#N SBB060051 [2,0,0,0,0,0|1,0,1]=4 149 B6R0.6 CCCCCCBr SBB059934 [2,0,0,0,0,0|1,0,0]=3 150 B6R0.6 CCCCCCCl SBB059952 [2,0,0,0,0,0|1,0,0]=3 151 B6R0.6 CCCCCCN SBB059984 [2,0,0,0,0,0|1,0,0]=3 152 B6R0.6 CCCCCCO SBB059899 [2,0,0,0,0,0|0,0,0]=2 153 B6R0.6 CCCCCOC SBB061300 [2,0,0,0,0,0|1,0,0]=3 154 B6R0.6 CCCCSCC SBB061178 [2,0,0,0,0,0|1,0,0]=3 155 B6R0.6 CCCNCCC SBB059762 [2,0,0,0,0,0|1,0,0]=3 156 B6R0.6 CCCOCCO SBB061379 [2,0,0,0,0,0|1,0,0]=3 157 B6R0.6 CCCSCCC SBB061017 [2,0,0,0,0,0|1,0,0]=3 158 B6R0.6 CCCSCCO SBB058605 [2,0,0,0,0,0|1,0,0]=3 159 B6R0.6 CCOCCCN SBB028180 [2,0,0,0,0,0|2,0,0]=4 160 B6R0.6 CC\C=C/CCO SBB007739 [2,0,0,0,0,0|0,0,2]=4 161 B6R0.6 NCCCCCN SBB079706 [2,0,0,0,0,0|2,0,0]=4 162 B6R0.6 NCCNCCO SBB028183 [2,0,0,0,0,0|2,0,0]=4 163 B6R0.6 NCCOCCO SBB060906 [2,0,0,0,0,0|2,0,0]=4 164 B6R0.6 NCCSCCO SBB056468 [2,0,0,0,0,0|2,0,0]=4 165 B6R0.6 OCCNCCO SBB059779 [2,0,0,0,0,0|2,0,0]=4 166 B6R0.6 OCCOCCCl SBB060189 [2,0,0,0,0,0|2,0,0]=4 167 B6R0.6 OCCSCCO SBB060117 [2,0,0,0,0,0|2,0,0]=4 168 B6R0.1 C#CC(O)CCC SBB067434 [2,0,0,0,0,0|0,0,2]=4 169 B6R0.1 CCC(O)COC SBB072708 [2,0,0,0,0,0|1,0,0]=3 170 B6R0.1 CCCC(=O)CC SBB061496 [2,0,0,0,0,0|0,0,2]=4 171 B6R0.1 CCCC(C)CO SBB061282 [2,0,0,0,0,0|2,0,0]=4 172 B6R0.1 CCCC(O)CC SBB061363 [2,0,0,0,0,0|0,0,0]=2 173 B6R0.1 COCC(O)CN SBB051203 [2,0,0,0,0,0|2,0,0]=4 174 B6R0.1 OC(CBr)CCBr SBB007842 [2,0,0,0,0,0|2,0,0]=4 175 B6R0.4 CCC#CC(C)O SBB067141 [2,0,0,0,0,0|0,0,2]=4 176 B6R0.4 CCCCC(=O)O SBB053585 [2,0,0,0,0,0|1,0,1]=4 177 B6R0.4 CCCCC(C)=O SBB061262 [2,0,0,0,0,0|0,0,2]=4 178 B6R0.4 CCCCC(C)O SBB061290 [2,0,0,0,0,0|0,0,0]=2 179 B6R0.4 CCCCN(C)C SBB060243 [2,0,0,0,0,0|2,0,0]=4 180 B6R0.4 CCOCC(C)O SBB061006 [2,0,0,0,0,0|1,0,0]=3 181 B8R0.1 CCCCC(=O)OCC SBB061113 [1,1,0,0,0,0|1,0,1]=4 182 B8R0.1 CCCCC(O)CCC SBB059905 [1,1,0,0,0,0|0,0,0]=2 183 B8R0.1 CCCCS(=O)CCO SBB019077 [1,1,0,0,0,0|2,0,0]=4 184 B8R0.1 CCCOC(=O)CCC SBB061105 [1,1,0,0,0,0|1,0,1]=4 185 B8R0.4 C#CCCCCCCO SBB062745 [1,1,0,0,0,0|0,0,2]=4 186 B8R0.4 C=CCCCCCCC SBB060474 [1,1,0,0,0,0|0,0,1]=3 187 B8R0.4 CC#CCNCCCC SBB010247 [1,1,0,0,0,0|0,0,2]=4 188 B8R0.4 CCCCC#CCCO SBB009106 [1,1,0,0,0,0|0,0,2]=4 189 B8R0.4 CCCCCC#CCO SBB009105 [1,1,0,0,0,0|0,0,2]=4 190 B8R0.4 CCCCCCCC#N SBB060053 [1,1,0,0,0,0|0,0,1]=3 191 B8R0.4 CCCCCCCC=O SBB059871 [1,1,0,0,0,0|0,0,1]=3 192 B8R0.4 CCCCCCCCBr SBB059937 [1,1,0,0,0,0|0,0,0]=2 193 B8R0.4 CCCCCCCCCl SBB059955 [1,1,0,0,0,0|0,0,0]=2 194 B8R0.4 CCCCCCCCN SBB059986 [1,1,0,0,0,0|0,0,0]=2 195 B8R0.4 CCCCCCCCO SBB059902 [1,1,0,0,0,0|0,0,0]=2 196 B8R0.4 CCCCCCCNC SBB059820 [1,1,0,0,0,0|0,0,0]=2 197 B8R0.4 CCCCCCN=C=O SBB058614 [1,1,0,0,0,0|1,0,1]=4 198 B8R0.4 CCCCCCN=C=S SBB061289 [1,1,0,0,0,0|1,0,1]=4 199 B8R0.4 CCCCCCNC=O SBB061175 [1,1,0,0,0,0|1,0,1]=4 200 B8R0.4 CCCCCCOC=O SBB060302 [1,1,0,0,0,0|1,0,1]=4 201 B8R0.4 CCCCCCSCC SBB061179 [1,1,0,0,0,0|0,0,0]=2 202 B8R0.4 CCCCCNCCO SBB059826 [1,1,0,0,0,0|1,0,0]=3 203 B8R0.4 CCCCNCCC#N SBB017631 [1,1,0,0,0,0|1,0,1]=4 204 B8R0.4 CCCCNCCCC SBB059755 [1,1,0,0,0,0|0,0,0]=2 205 B8R0.4 CCCCNCCOC SBB056732 [1,1,0,0,0,0|1,0,0]=3 206 B8R0.4 CCCCOCCC#N SBB058573 [1,1,0,0,0,0|1,0,1]=4 207 B8R0.4 CCCCOCCCC SBB060059 [1,1,0,0,0,0|0,0,0]=2 208 B8R0.4 CCCCOCCCN SBB061718 [1,1,0,0,0,0|1,0,0]=3 209 B8R0.4 CCCCSCCCC SBB060667 [1,1,0,0,0,0|0,0,0]=2 210 B8R0.4 CCOCCOCCCl SBB060378 [1,1,0,0,0,0|2,0,0]=4 211 B8R0.4 CCOCCOCCO SBB060178 [1,1,0,0,0,0|2,0,0]=4 212 B8R0.4 CCSCCOCCO SBB061065 [1,1,0,0,0,0|2,0,0]=4 213 B8R0.4 COCCNCCOC SBB059845 [1,1,0,0,0,0|2,0,0]=4 214 B8R0.4 COCCOCCCN SBB061669 [1,1,0,0,0,0|2,0,0]=4 215 B8R0.4 C\C=C\CSCCCC SBB061594 [1,1,0,0,0,0|0,0,2]=4 216 B8R0.4 N#CCCCCCCBr SBB068343 [1,1,0,0,0,0|1,0,1]=4 217 B8R0.4 NCCCCCCCN SBB058724 [1,1,0,0,0,0|1,0,0]=3 218 B8R0.4 NCCCNCCCN SBB059777 [1,1,0,0,0,0|2,0,0]=4 219 B8R0.4 OCCCCCCCBr SBB061558 [1,1,0,0,0,0|1,0,0]=3 220 B8R0.7 C=C(C)CSCCCC SBB061593 [1,1,0,0,0,0|1,0,1]=4 221 B8R0.7 CC(C)CCCCCBr SBB054753 [1,1,0,0,0,0|1,0,0]=3 222 B8R0.7 CC(C)CNCCCO SBB301242 [1,1,0,0,0,0|2,0,0]=4 223 B8R0.7 CCCCCCC(=O)Cl SBB060012 [1,1,0,0,0,0|1,0,1]=4 224 B8R0.7 CCCCCCC(=O)O SBB053587 [1,1,0,0,0,0|1,0,1]=4 225 B8R0.7 CCCCCCC(C)=O SBB060387 [1,1,0,0,0,0|0,0,1]=3 226 B8R0.7 CCCCCCC(C)Br SBB060198 [1,1,0,0,0,0|0,0,0]=2 227 B8R0.7 CCCCCCC(C)N SBB028238 [1,1,0,0,0,0|0,0,0]=2 228 B8R0.7 CCCCCCC(C)O SBB059903 [1,1,0,0,0,0|0,0,0]=2 229 B8R0.7 CCCCCCN(C)C SBB059990 [1,1,0,0,0,0|1,0,0]=3 230 B8R0.7 CCCCCOC(C)=O SBB060027 [1,1,0,0,0,0|1,0,1]=4 231 B8R0.7 CCCCNCC(C)C SBB059764 [1,1,0,0,0,0|1,0,0]=3 232 B8R0.7 CCCCNCC(C)O SBB059782 [1,1,0,0,0,0|1,0,0]=3 233 B8R0.7 CN(C)CCCCCN SBB008565 [1,1,0,0,0,0|2,0,0]=4 234 B8R0.7 [NH2+](CCCC)CC(C)C SBB061643 [1,1,0,0,0,0|1,0,0]=3 235 B8R0.3 C#CC(O)C(C)CCC SBB009074 [1,1,0,0,0,0|0,0,2]=4 236 B8R0.8 CCCCC(N)C(C)=O SBB014561 [1,1,0,0,0,0|1,0,1]=4 237 B8R0.9 CC(C)OCC(O)CN SBB010264 [1,1,0,0,0,0|2,0,0]=4 238 B8R0.11 CCCCC(C=O)CC SBB060148 [1,1,0,0,0,0|0,0,1]=3 239 B8R0.11 CCCCC(CC)CBr SBB059938 [1,1,0,0,0,0|1,0,0]=3 240 B8R0.11 CCCCC(CC)CCl SBB005809 [1,1,0,0,0,0|1,0,0]=3 241 B8R0.11 CCCCC(CC)CI SBB061182 [1,1,0,0,0,0|1,0,0]=3 242 B8R0.11 CCCCC(CC)CO SBB059906 [1,1,0,0,0,0|0,0,0]=2 243 B8R0.11 CCCCC(CO)CO SBB059212 [1,1,0,0,0,0|1,0,0]=3 244 B8R0.11 NCC(CC)CCCC SBB006745 [1,1,0,0,0,0|1,0,0]=3 245 B8R0.19 CCC(C)NC(C)CC SBB059801 [1,1,0,0,0,0|2,0,0]=4 246 B8R0.25 C#CC(C)(O)CCCC SBB002537 [1,1,0,0,0,0|0,0,2]=4 247 B8R0.25 CCCCC(C)(O)CC SBB061166 [1,1,0,0,0,0|0,0,0]=2 248 B8R0.5 CCCC(C)CC(=O)O SBB061321 [1,1,0,0,0,0|1,0,1]=4 249 B8R0.28 CC(C)=CCCC(C)O SBB008067 [1,1,0,0,0,0|0,0,2]=4 250 B8R0.28 CC(C)CCCC(=O)O SBB072713 [1,1,0,0,0,0|1,0,1]=4 251 B8R0.28 CC(C)CNCC(C)C SBB058770 [1,1,0,0,0,0|2,0,0]=4 252 B8R0.28 CC(C)COCC(C)C SBB061320 [1,1,0,0,0,0|2,0,0]=4 253 B8R0.28 CC(C)COCC(C)O SBB061009 [1,1,0,0,0,0|1,0,0]=3 254 B8R0.28 CC(C)CSCC(C)C SBB061180 [1,1,0,0,0,0|2,0,0]=4 255 B8R0.28 CC(O)CNCC(C)O SBB058768 [1,1,0,0,0,0|1,0,0]=3 256 B10R0.3 CC(C)CCCC(C)CC=O SBB060756 [0,2,0,0,0,0|1,0,1]=4 257 B10R0.3 CC(C)CCC[C@H](C)CCO SBB007911 [0,2,0,0,0,0|1,0,0]=3 258 B10R0.77 CCN(CC)CCCC(C)N SBB058650 [0,2,0,0,0,0|2,0,0]=4 259 B10R0.1 CCCCCCC(=O)OCC SBB061117 [0,2,0,0,0,0|0,0,2]=4 260 B10R0.1 CCCCCOC(=O)CCC SBB060758 [0,2,0,0,0,0|0,0,2]=4 261 B10R0.1 CCOC(=O)CCCCCBr SBB006556 [0,2,0,0,0,0|0,0,2]=4 262 B10R0.19 CCCCC(Br)C(=O)OCC SBB070817 [0,2,0,0,0,0|0,0,2]=4 263 B10R0.24 CCCCCC(CO)CCC SBB043960 [0,2,0,0,0,0|0,0,0]=2 264 B10R0.91 CCCCCC(=O)OCCCl SBB061275 [0,2,0,0,0,0|0,0,2]=4 265 B10R0.156 CCCCCS(=O)(=O)CCCl SBB013613 [0,2,0,0,0,0|1,0,1]=4 266 B10R0.85 C#CC(O)C(CC)CCCC SBB005885 [0,2,0,0,0,0|0,0,2]=4 267 B10R0.74 CCOCCOCC(O)CCl SBB061084 [0,2,0,0,0,0|1,0,0]=3 268 B8R1.2 BrCC1CCCCO1 SBB054944 [1,0,0,1,0,0|2,0,0]=4 269 B8R1.2 BrCC1CCCNC1 SBB019055 [1,0,0,1,0,0|2,0,0]=4 270 B8R1.2 BrCC1CCOCC1 SBB054945 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.2 CCC1CCCCC1 SBB061162 [1,0,0,1,0,0|0,0,0]=2 272 B8R1.2 CCC1CCNCC1 SBB046379 [1,0,0,1,0,0|1,0,0]=3 273 B8R1.2 CCN1CCCCC1 SBB061409 [1,0,0,1,0,0|1,0,0]=3 274 B8R1.2 CCN1CCOCC1 SBB060634 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.2 COC1CCNCC1 SBB019028 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.2 ClCC1CCCCO1 SBB040653 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.2 N#CC1CCCCC1 SBB008404 [1,0,0,1,0,0|1,0,1]=4 278 B8R1.2 N(C)C1CCCCC1 SBB004314 [1,0,0,1,0,0|1,0,0]=3 279 B8R1.2 N1CCCCC1CC SBB004312 [1,0,0,1,0,0|1,0,0]=3 280 B8R1.2 N1CCN(CC)CC1 SBB006719 [1,0,0,1,0,0|2,0,0]=4 281 B8R1.2 NCC1CCCCC1 SBB028193 [1,0,0,1,0,0|1,0,0]=3 282 B8R1.2 NCC1CCCCN1 SBB069774 [1,0,0,1,0,0|2,0,0]=4 283 B8R1.2 NCC1CCCCO1 SBB085471 [1,0,0,1,0,0|2,0,0]=4 284 B8R1.2 NCC1CCCOC1 SBB013821 [1,0,0,1,0,0|2,0,0]=4 285 B8R1.2 NCC1CCNCC1 SBB004305 [1,0,0,1,0,0|2,0,0]=4 286 B8R1.2 NCC1CCOCC1 SBB014254 [1,0,0,1,0,0|2,0,0]=4 287 B8R1.2 OCC1CCCCC1 SBB061328 [1,0,0,1,0,0|1,0,0]=3 288 B8R1.2 OCC1CCCCN1 SBB058544 [1,0,0,1,0,0|2,0,0]=4 289 B8R1.2 OCC1CCCCO1 SBB008943 [1,0,0,1,0,0|2,0,0]=4 290 B8R1.2 OCC1CCCOC1 SBB014200 [1,0,0,1,0,0|2,0,0]=4 291 B8R1.2 OCC1CCNCC1 SBB054833 [1,0,0,1,0,0|2,0,0]=4 292 B8R1.5 BrC1CCCC[C@@H]1Br SBB060495 [1,0,0,1,0,0|2,0,0]=4 293 B8R1.5 CC1=C(C)CCCC1 SBB060472 [1,0,0,1,0,0|0,0,2]=4 294 B8R1.5 CC1CCCCC1=O SBB058517 [1,0,0,1,0,0|1,0,1]=4 295 B8R1.5 CC1CCCCC1N SBB061724 [1,0,0,1,0,0|1,0,0]=3 296 B8R1.5 CC1CCCCN1C SBB060747 [1,0,0,1,0,0|1,0,0]=3 297 B8R1.5 CC1CCCNC1C SBB027556 [1,0,0,1,0,0|1,0,0]=3 298 B8R1.5 CC1CNCCC1O SBB300760 [1,0,0,1,0,0|2,0,0]=4 299 B8R1.5 Cl[C@H]1CCCC[C@H]1Cl SBB007831 [1,0,0,1,0,0|2,0,0]=4 300 B8R1.5 FC1CCCCC1Br SBB089745 [1,0,0,1,0,0|2,0,0]=4 301 B8R1.5 N[C@@H]1CCCC[C@H]1N SBB007639 [1,0,0,1,0,0|2,0,0]=4 302 B8R1.5 O[C@@H]1CCCC[C@H]1O SBB007679 [1,0,0,1,0,0|2,0,0]=4 303 B8R1.5 O[C@H]1CCCC[C@H]1O SBB007678 [1,0,0,1,0,0|2,0,0]=4 304 B8R1.8 C=CCC1CCCC1 SBB008872 [1,0,0,1,0,0|0,0,2]=4 305 B8R1.8 CCCC1OCCO1 SBB060981 [1,0,0,1,0,0|2,0,0]=4 306 B8R1.8 CCCC1OCCS1 SBB056724 [1,0,0,1,0,0|2,0,0]=4 307 B8R1.8 COC[C@@H]1CCCN1 SBB006442 [1,0,0,1,0,0|2,0,0]=4 308 B8R1.8 ClCCN1CCCC1 SBB070714 [1,0,0,1,0,0|2,0,0]=4 309 B8R1.8 NCCC1CCCC1 SBB072011 [1,0,0,1,0,0|1,0,0]=3 310 B8R1.8 NCCN1CCCC1 SBB004304 [1,0,0,1,0,0|2,0,0]=4 311 B8R1.8 OCCC1CCCC1 SBB008459 [1,0,0,1,0,0|1,0,0]=3 312 B8R1.8 OCCN1CCCC1 SBB060257 [1,0,0,1,0,0|2,0,0]=4 313 B8R1.11 CN1CCCC1CO SBB108833 [1,0,0,1,0,0|2,0,0]=4 314 B8R1.12 NC[C@@H]1CC[C@H]1CN SBB052512 [1,0,0,1,0,0|2,0,0]=4 315 B8R1.22 CN1CCCNCC1 SBB056191 [1,0,0,1,0,0|2,0,0]=4 316 B8R1.22 NC1CCCCCC1 SBB004311 [1,0,0,1,0,0|1,0,0]=3 317 B8R1.22 O=C1CCCCCC1 SBB060075 [1,0,0,1,0,0|1,0,1]=4 318 B8R1.22 OC1CCCCCC1 SBB061138 [1,0,0,1,0,0|1,0,0]=3 319 B8R1.36 CCCNCC1CC1 SBB042821 [1,0,0,1,0,0|1,0,0]=3 320 B8R1.49 C1=CCCCCCC1 SBB059890 [1,0,0,1,0,0|0,0,2]=4 321 B8R1.49 C1CCCNCCC1 SBB059854 [1,0,0,1,0,0|1,0,0]=3 322 B8R1.1 OCC1CC(O)CN1 SBB014445 [1,0,0,1,0,0|2,0,0]=4 323 B8R1.3 CC1CCC(C)CC1 SBB061451 [1,0,0,1,0,0|1,0,0]=3 324 B8R1.3 CC1CCC(O)CC1 SBB060479 [1,0,0,1,0,0|0,0,0]=2 325 B8R1.3 CN1CCC(Cl)CC1 SBB057204 [1,0,0,1,0,0|2,0,0]=4 326 B8R1.3 CN1CCC(N)CC1 SBB004306 [1,0,0,1,0,0|2,0,0]=4 327 B8R1.3 C[C@H]1CC[C@H](N)CC1 SBB069772 [1,0,0,1,0,0|1,0,0]=3 328 B8R1.3 N[C@H]1CC[C@H](N)CC1 SBB008553 [1,0,0,1,0,0|2,0,0]=4 329 B8R1.3 N[C@H]1CC[C@H](O)CC1 SBB005825 [1,0,0,1,0,0|1,0,0]=3 330 B8R1.3 O=C1CCC(O)CC1 SBB056283 [1,0,0,1,0,0|1,0,1]=4 331 B8R1.3 OC1CCC(Cl)CC1 SBB007863 [1,0,0,1,0,0|1,0,0]=3 332 B8R1.3 OC1CCN(C)CC1 SBB004301 [1,0,0,1,0,0|1,0,0]=3 333 B8R1.52 C#CC1(O)CCCC1 SBB002132 [1,0,0,1,0,0|0,0,2]=4 334 B8R1.4 CC1CCCC(C)C1 SBB061164 [1,0,0,1,0,0|1,0,0]=3 335 B8R1.4 CC1CCCC(C)N1 SBB004313 [1,0,0,1,0,0|1,0,0]=3 336 B8R1.4 CC1CCCC(O)C1 SBB061310 [1,0,0,1,0,0|0,0,0]=2 337 B8R1.4 CC1CCNC(C)C1 SBB004310 [1,0,0,1,0,0|2,0,0]=4 338 B8R1.4 CC1CNCC(C)C1 SBB027312 [1,0,0,1,0,0|2,0,0]=4 339 B8R1.4 CC1CNCC(C)O1 SBB040955 [1,0,0,1,0,0|1,0,0]=3 340 B8R1.4 CN1CCCC(N)C1 SBB047756 [1,0,0,1,0,0|2,0,0]=4 341 B8R1.4 C[C@H]1CNC[C@@H](C)N1 SBB056139 [1,0,0,1,0,0|2,0,0]=4 342 B8R1.7 CC(N)C1CCCO1 SBB020137 [1,0,0,1,0,0|2,0,0]=4 343 B8R1.7 O=C(O)C1CCCC1 SBB065782 [1,0,0,1,0,0|1,0,1]=4 344 B8R1.34 O=C(O)CC1CCC1 SBB050298 [1,0,0,1,0,0|1,0,1]=4 345 B8R1.35 CC(C)NCC1CC1 SBB080386 [1,0,0,1,0,0|2,0,0]=4 346 B8R1.72 CC1(C)CCCNC1 SBB027276 [1,0,0,1,0,0|2,0,0]=4 347 B8R1.72 CC1(O)CCCCC1 SBB061165 [1,0,0,1,0,0|0,0,0]=2 348 B8R1.72 OC1(O)CCNCC1 SBB004037 [1,0,0,1,0,0|2,0,0]=4 349 B10R1.13 CC(C)C1CCC(=O)CC1 SBB007754 [0,1,0,1,0,0|0,0,2]=4 350 B10R1.13 CC(C)C1CCC(O)CC1 SBB008023 [0,1,0,1,0,0|0,0,0]=2 351 B10R1.13 CC(C)N1CCC(N)CC1 SBB009390 [0,1,0,1,0,0|2,0,0]=4 352 B10R1.13 CC1CCC(C(C)C)CC1 SBB008406 [0,1,0,1,0,0|1,0,0]=3 353 B10R1.13 O=C(O)C1CCC(O)CC1 SBB007787 [0,1,0,1,0,0|1,0,1]=4 354 B10R1.10 CC1CCCN(CCN)C1 SBB007291 [0,1,0,1,0,0|2,0,0]=4 355 B10R1.10 CCCC1CCOC(C)S1 SBB058540 [0,1,0,1,0,0|1,1,0]=4 356 B10R1.10 CCCC1OCCC(C)O1 SBB060972 [0,1,0,1,0,0|1,0,0]=3 357 B10R1.10 CNCC1CCCN(C)C1 SBB086259 [0,1,0,1,0,0|2,0,0]=4 358 B10R1.11 CN(CCN)C1CCCC1 SBB301908 [0,1,0,1,0,0|2,0,0]=4 359 B10R1.21 CCCCCC1OCCO1 SBB060997 [0,1,0,1,0,0|0,0,0]=2 360 B10R1.21 CCCCNC1CCCC1 SBB080103 [0,1,0,1,0,0|2,0,0]=4 361 B10R1.21 CCCNCC1CCCO1 SBB010297 [0,1,0,1,0,0|1,0,0]=3 362 B10R1.78 O=C1CCCCCCCN1 SBB058438 [0,1,0,1,0,0|0,0,2]=4 363 B10R1.85 CCCC1OCCCCO1 SBB060980 [0,1,0,1,0,0|1,0,0]=3 364 B10R1.85 ClCCN1CCCCCC1 SBB054974 [0,1,0,1,0,0|2,0,0]=4 365 B10R1.85 NCCN1CCCCCC1 SBB046553 [0,1,0,1,0,0|2,0,0]=4 366 B10R1.85 OCCN1CCCCCC1 SBB005844 [0,1,0,1,0,0|2,0,0]=4 367 B10R1.96 CCC1=NOC(CNC)C1 SBB027053 [0,1,0,1,0,0|1,0,1]=4 368 B10R1.377 C=CCC1(O)CCCCC1 SBB051433 [0,1,0,1,0,0|0,0,1]=3 369 B10R1.377 CC#CC1(O)CCCCC1 SBB008936 [0,1,0,1,0,0|0,0,1]=3 370 B10R1.377 NCCC1(O)CCCCC1 SBB303067 [0,1,0,1,0,0|0,0,0]=2 371 B10R1.377 OC1(C#CBr)CCCCC1 SBB001565 [0,1,0,1,0,0|0,0,2]=4 372 B10R1.15 CC(CN)N1CCCCC1 SBB027443 [0,1,0,1,0,0|2,0,0]=4 373 B10R1.15 CCC(C)C1CCCCC1 SBB061319 [0,1,0,1,0,0|1,0,0]=3 374 B10R1.15 CCC(C)N1CCNCC1 SBB007161 [0,1,0,1,0,0|2,0,0]=4 375 B10R1.119 CC1C(O)CCN(C)C1C SBB002818 [0,1,0,1,0,0|1,0,0]=3 376 B10R1.232 C#CC1(O)CCCCCC1 SBB002536 [0,1,0,1,0,0|0,0,2]=4 377 B10R1.3 CCN1CCC(=NO)CC1 SBB021191 [0,1,0,1,0,0|1,0,1]=4 378 B10R1.3 COC1CCC(OC)CC1 SBB006253 [0,1,0,1,0,0|1,0,0]=3 379 B10R1.3 NCC1CCC(CN)CC1 SBB015076 [0,1,0,1,0,0|2,0,0]=4 380 B10R1.3 OCC1CCC(CO)CC1 SBB058762 [0,1,0,1,0,0|1,0,0]=3 381 B10R1.8 CCN1CC(C)CC(O)C1 SBB002881 [0,1,0,1,0,0|2,0,0]=4 382 B10R1.22 CC1CC(O)C(C)N(C)C1 SBB002864 [0,1,0,1,0,0|1,0,0]=3 383 B10R1.22 CC1CC(O)CN(C)C1C SBB002865 [0,1,0,1,0,0|2,0,0]=4 384 B10R1.27 CC(CO)CN1CCCC1 SBB046540 [0,1,0,1,0,0|2,0,0]=4 385 B10R1.27 CCC(O)CN1CCCC1 SBB061152 [0,1,0,1,0,0|0,0,0]=2 386 B10R1.1 CC1CCN(CCN)CC1 SBB007290 [0,1,0,1,0,0|2,0,0]=4 387 B10R1.1 CCCC1CCC(=O)CC1 SBB008421 [0,1,0,1,0,0|0,0,2]=4 388 B10R1.1 CCCC1CCC(O)CC1 SBB055278 [0,1,0,1,0,0|0,0,0]=2 389 B10R1.1 CCCN1CCC(N)CC1 SBB021243 [0,1,0,1,0,0|1,0,0]=3 390 B10R1.1 CCNC1CCN(C)CC1 SBB301946 [0,1,0,1,0,0|2,0,0]=4 391 B10R1.1 CN1CCC(CCN)CC1 SBB025006 [0,1,0,1,0,0|2,0,0]=4 392 B10R1.1 NCCN1CCC(O)CC1 SBB012802 [0,1,0,1,0,0|1,0,0]=3 393 B10R1.161 COC1=CCCCCCC1 SBB008525 [0,1,0,1,0,0|0,0,2]=4 394 B10R1.161 O=CC1CCCCCCC1 SBB059655 [0,1,0,1,0,0|0,0,1]=3 395 B10R1.161 OCC1CCCCCCC1 SBB051438 [0,1,0,1,0,0|0,0,0]=2 396 B10R1.172 CCN1CCCC(CN)C1 SBB012843 [0,1,0,1,0,0|2,0,0]=4 397 B10R1.363 CC(=O)C1(N)CCCCC1 SBB013031 [0,1,0,1,0,0|1,0,1]=4 398 B10R1.363 O=C(O)C1(O)CCCCC1 SBB047861 [0,1,0,1,0,0|1,0,1]=4 399 B10R1.487 COC1(OC)CCCCC1 SBB008403 [0,1,0,1,0,0|1,0,0]=3 400 B10R1.487 N#CC1(CCl)CCCCC1 SBB054971 [0,1,0,1,0,0|2,0,0]=4 401 B10R2.178 NC1CCC2CO[C@@H]1O2 SBB018990 [0,0,0,2,0,0|2,0,0]=4 402 B10R2.409 C1CC2CCC1CNC2 SBB012882 [0,0,0,2,0,0|2,0,0]=4 403 B10R2.99 CCC1CC2CCC1C2 SBB060621 [0,0,0,2,0,0|1,0,0]=3 404 B10R2.99 NCC1CC2CCC1C2 SBB010246 [0,0,0,2,0,0|2,0,0]=4 405 B10R2.99 OCC1CC2CCC1C2 SBB008210 [0,0,0,2,0,0|2,0,0]=4