0 B6R0.6 C#CCCCC#C SBB008772 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C#CCCCCC SBB067441 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.6 C#CCCCCO SBB015110 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.6 C#CCNCC=C SBB301262 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 C=CCCCCBr SBB054740 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.6 C=CCCCCC SBB059882 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.6 C=CCNCC=C SBB060901 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 C=CCOCCO SBB060194 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.6 C=CCSCC=C SBB060116 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.6 CCCCCC#N SBB060051 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.6 CCCCCCBr SBB059934 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.6 CCCCCCCl SBB059952 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.6 CCCCCCN SBB059984 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.6 CCCCCCO SBB059899 [0,0,0,0,0,0|1,0,2]=3 14 B6R0.6 CCCCCOC SBB061300 [0,0,0,0,0,0|1,1,1]=3 15 B6R0.6 CCCCN=C=S SBB060985 [0,0,0,0,0,0|2,1,1]=4 16 B6R0.6 CCCCNC=O SBB060026 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.6 CCCCOC=O SBB060300 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.6 CCCCSC#N SBB056760 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.6 CCCCSCC SBB061178 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.6 CCCNCCC SBB059762 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.6 CCCOCCO SBB061379 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.6 CCCSCCC SBB061017 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.6 CCCSCCO SBB058605 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.6 CCC\C=C\C=O SBB067097 [0,0,0,0,0,0|1,0,2]=3 25 B6R0.6 CCNCCC#N SBB006528 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.6 CCOCCC#N SBB067181 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.6 CCOCCCN SBB028180 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.6 COCCN=C=S SBB013663 [0,0,0,0,0,0|1,2,1]=4 29 B6R0.6 N#CCCCC#N SBB068303 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.6 N#CCCCCCl SBB061418 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.6 NCCCCCN SBB079706 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.6 O=C=NCCCCl SBB068362 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.2 BrCCCCBr SBB060204 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.2 C=COCCCl SBB061485 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.2 C=COCCN SBB072719 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.2 CC#CCCO SBB009118 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.2 CCCCCBr SBB059933 [1,0,0,0,0,0|1,0,1]=3 38 B5R0.2 CCCCCCl SBB059951 [1,0,0,0,0,0|1,0,1]=3 39 B5R0.2 CCCN=C=S SBB060984 [1,0,0,0,0,0|1,1,1]=4 40 B5R0.2 CCOCCBr SBB008332 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.2 CCOCCCl SBB061015 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.2 CCOCCN SBB072161 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.2 CCSCCN SBB017894 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 CNCCCN SBB059823 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.2 CSCCCO SBB056451 [1,0,0,0,0,0|0,0,1]=2 46 B5R0.2 FCCCCBr SBB087044 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.2 N#CCCCBr SBB054746 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 N#CCCCCl SBB061739 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 NCCCCN SBB059998 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.2 O=C=NCCCl SBB054898 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.2 OCCCCCl SBB002444 [1,0,0,0,0,0|1,0,2]=4 52 B7R0.1 BrCCCCCCBr SBB060205 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.1 C#CCNCCCC SBB300093 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.1 C=CCCCCCC SBB059884 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.1 C=CCNCC#CC SBB301263 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.1 C=CCNCCC#N SBB116759 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.1 C=CCSCCCC SBB058522 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.1 CCCCCCC#N SBB060052 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.1 CCCCCCCBr SBB059936 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.1 CCCCCCCCl SBB059954 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.1 CCCCCCCN SBB059985 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.1 CCCCCCOC SBB061157 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.1 CCCCCN=C=S SBB085742 [0,1,0,0,0,0|1,1,1]=4 64 B7R0.1 CCCCCOC=O SBB060301 [0,1,0,0,0,0|1,0,0]=2 65 B7R0.1 CCCCCSC#N SBB060089 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.1 CCCCNCCC SBB059822 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.1 CCCCOCCBr SBB007731 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.1 CCCCOCCCl SBB059964 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.1 CCCCOCCO SBB059918 [0,1,0,0,0,0|1,0,2]=4 70 B7R0.1 CCCCSCCN SBB072659 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.1 CCCCSCCO SBB013616 [0,1,0,0,0,0|1,0,2]=4 72 B7R0.1 CCCCSCCS SBB057435 [0,1,0,0,0,0|1,1,1]=4 73 B7R0.1 CCCNCCC#N SBB059761 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.1 CCCOCCCN SBB056585 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.1 CCNCCCCO SBB052126 [0,1,0,0,0,0|1,0,2]=4 76 B7R0.1 COCCCN=C=S SBB085786 [0,1,0,0,0,0|0,2,1]=4 77 B7R0.1 COCCOCCCl SBB059966 [0,1,0,0,0,0|1,1,1]=4 78 B7R0.1 COCCOCCO SBB059920 [0,1,0,0,0,0|0,1,2]=4 79 B7R0.1 COCCOCCS SBB061387 [0,1,0,0,0,0|0,2,1]=4 80 B7R0.1 COCCSCCO SBB061070 [0,1,0,0,0,0|0,1,2]=4 81 B7R0.1 CSCCCN=C=S SBB066566 [0,1,0,0,0,0|0,1,1]=3 82 B7R0.1 C\C=C\CCCCC SBB059885 [0,1,0,0,0,0|2,0,0]=3 83 B7R0.1 ClCCCCCCCl SBB060213 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.1 N#CCCCCCBr SBB058579 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.1 NCCCCCCN SBB059999 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.1 OCCCCCCBr SBB054752 [0,1,0,0,0,0|1,0,2]=4 87 B7R0.1 OCCCCCCCl SBB060188 [0,1,0,0,0,0|1,0,2]=4 88 B7R0.1 OCCCCCCN SBB006584 [0,1,0,0,0,0|1,0,2]=4 89 B7R0.1 OCCCCCCO SBB059915 [0,1,0,0,0,0|1,0,2]=4 90 B7R0.1 OCCCCCCS SBB058615 [0,1,0,0,0,0|1,0,2]=4 91 B7R0.3 C=CC(O)CCCC SBB008778 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.3 CCCCC(Cl)CCl SBB060394 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.3 OC[C@H](CCSC)N SBB006701 [0,1,0,0,0,0|0,0,2]=3 94 B7R0.4 C#CCCCC(=O)O SBB009090 [0,1,0,0,0,0|1,0,1]=3 95 B7R0.4 CC(C)CCCCBr SBB008833 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.4 CCCC#CC(=O)O SBB009091 [0,1,0,0,0,0|1,0,2]=4 97 B7R0.4 CCCCCC(=O)Cl SBB060011 [0,1,0,0,0,0|1,0,0]=2 98 B7R0.4 CCCCCC(=O)O SBB053586 [0,1,0,0,0,0|1,0,0]=2 99 B7R0.4 CCCCCC(C)=O SBB061125 [0,1,0,0,0,0|1,0,0]=2 100 B7R0.4 CCCCCC(N)=O SBB061056 [0,1,0,0,0,0|1,0,0]=2 101 B7R0.4 CCCCNC(N)=S SBB028242 [0,1,0,0,0,0|2,1,0]=4 102 B7R0.4 CCCCOC(N)=O SBB060819 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.4 CCC\C=C\C(=O)O SBB009088 [0,1,0,0,0,0|1,0,2]=4 104 B7R0.4 CCOCCC(=O)O SBB053607 [0,1,0,0,0,0|2,0,0]=3 105 B7R0.4 CN(C)CCCC#N SBB072052 [0,1,0,0,0,0|2,0,1]=4 106 B7R0.4 CN(C)CCCCN SBB008514 [0,1,0,0,0,0|2,0,1]=4 107 B7R0.4 CNCCCN(C)C SBB052125 [0,1,0,0,0,0|3,0,0]=4 108 B7R0.4 COCCNC(N)=S SBB017633 [0,1,0,0,0,0|1,2,0]=4 109 B7R0.4 COCCOC(C)=O SBB060999 [0,1,0,0,0,0|1,1,0]=3 110 B7R0.4 NCCCCC(=O)O SBB061559 [0,1,0,0,0,0|2,0,0]=3 111 B7R0.4 O=C(O)CCCCBr SBB061343 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.4 O=C(O)CCCCCl SBB061215 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.4 OC(=O)C\C=C/CC SBB006610 [0,1,0,0,0,0|1,0,2]=4 114 B7R0.4 [NH2+]=C(N)SCCCC SBB060794 [0,1,0,0,0,0|3,0,0]=4 115 B7R0.7 CCCC(N)CCC SBB018801 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.7 CCCC(O)CCC SBB061327 [0,1,0,0,0,0|2,0,1]=4 117 B7R1.1 BrCC1CCCC1 SBB054968 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.1 N#CC1CCCC1 SBB008886 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.1 NNC1CCCC1 SBB301621 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.1 O=CC1CCCC1 SBB069481 [0,0,0,1,0,0|1,0,0]=2 121 B7R1.1 O=CC1CCOC1 SBB052278 [0,0,0,1,0,0|0,1,0]=2 122 B7R1.1 OCC1CCCC1 SBB008516 [0,0,0,1,0,0|1,0,2]=4 123 B7R1.1 OCC1CCNC1 SBB046413 [0,0,0,1,0,0|1,0,2]=4 124 B7R1.3 BrC1C=CCCC1 SBB007864 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.3 BrC1CCCCC1 SBB059944 [0,0,0,1,0,0|2,0,1]=4 126 B7R1.3 CC1CC=CCC1 SBB060473 [0,0,0,1,0,0|2,0,1]=4 127 B7R1.3 CC1CCCCC1 SBB061163 [0,0,0,1,0,0|2,0,1]=4 128 B7R1.3 CN1CCCCC1 SBB060237 [0,0,0,1,0,0|2,0,1]=4 129 B7R1.3 FC1CCCNC1 SBB070684 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.3 N1CCCC(C)C1 SBB027301 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.3 N1CCCC(O)C1 SBB004193 [0,0,0,1,0,0|1,0,2]=4 132 B7R1.3 N1CCCCC1C SBB027300 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.3 NC1CCCCC1 SBB040492 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.3 NC1CCCNC1 SBB052004 [0,0,0,1,0,0|2,0,1]=4 135 B7R1.3 NC1CCCOC1 SBB012974 [0,0,0,1,0,0|1,1,1]=4 136 B7R1.3 NN1CCCCC1 SBB067336 [0,0,0,1,0,0|3,0,0]=4 137 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.3 N[C@H]1CCCNC1 SBB017596 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.3 O=C1C=CCCC1 SBB008209 [0,0,0,1,0,0|1,0,1]=3 140 B7R1.3 O=C1CCCCC1 SBB060074 [0,0,0,1,0,0|1,0,0]=2 141 B7R1.3 O=C1CCCCO1 SBB060349 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.3 O=C1CCOCC1 SBB049627 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.3 O=C1CCSCC1 SBB048121 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.3 O=C1CNCCN1 SBB000034 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.3 OC1CCCCC1 SBB060483 [0,0,0,1,0,0|1,0,2]=4 146 B7R1.3 OC1CCCNC1 SBB027351 [0,0,0,1,0,0|1,0,2]=4 147 B7R1.4 CN1CCCC1=O SBB060297 [0,0,0,1,0,0|1,0,0]=2 148 B7R1.4 NC1CCOC1=O SBB004366 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.4 NC1CCOC1=O SBB057192 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.4 NC1CCSC1=O SBB004035 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.4 O=C1OCCC1Br SBB083094 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.6 N#CCC1CCC1 SBB071683 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.7 CCCCC1CO1 SBB017137 [0,0,0,1,0,0|1,0,2]=4 154 B7R1.24 C1=CCCCCC1 SBB059889 [0,0,0,1,0,0|2,0,0]=3 155 B7R1.24 C1CCCCCC1 SBB060406 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.24 C1CNCCNC1 SBB004367 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.24 C1CNCCOC1 SBB049498 [0,0,0,1,0,0|2,1,0]=4 158 B7R1.24 N1CCCCCC1 SBB027297 [0,0,0,1,0,0|2,0,1]=4 159 B4R0.2 BrCCCBr SBB060203 [2,0,0,0,0,0|2,0,0]=4 160 B4R0.2 CCCCBr SBB059930 [2,0,0,0,0,0|1,0,0]=3 161 B4R0.2 CNCCI SBB071605 [2,0,0,0,0,0|2,0,0]=4 162 B4R0.2 COCCBr SBB007906 [2,0,0,0,0,0|1,1,0]=4 163 B4R0.2 C\C=C\CC SBB059879 [2,0,0,0,0,0|1,0,1]=4 164 B4R0.2 ClCCCBr SBB058669 [2,0,0,0,0,0|2,0,0]=4 165 B4R0.2 ClCCCCl SBB040918 [2,0,0,0,0,0|2,0,0]=4 166 B4R0.2 OCCCBr SBB054750 [2,0,0,0,0,0|1,0,1]=4 167 B4R0.2 [NH2+](CC)CC SBB059849 [2,0,0,0,0,0|1,0,1]=4 168 B6R0.1 C#CC(O)CCC SBB067434 [1,1,0,0,0,0|1,0,1]=4 169 B6R0.1 CCC(O)COC SBB072708 [1,1,0,0,0,0|0,1,1]=4 170 B6R0.1 CCCC(C)CO SBB061282 [1,1,0,0,0,0|0,0,2]=4 171 B6R0.1 CCCC(O)CC SBB061363 [1,1,0,0,0,0|1,0,1]=4 172 B6R0.1 CNC(C)CCO SBB046542 [1,1,0,0,0,0|1,0,1]=4 173 B6R0.1 COCC(O)CN SBB051203 [1,1,0,0,0,0|1,1,0]=4 174 B6R0.4 C#CCCC(=O)O SBB009121 [1,1,0,0,0,0|0,0,2]=4 175 B6R0.4 C=CCCC(=O)O SBB061214 [1,1,0,0,0,0|0,0,2]=4 176 B6R0.4 C=CCCC(C)=O SBB009089 [1,1,0,0,0,0|0,0,2]=4 177 B6R0.4 C=COCC(C)C SBB060157 [1,1,0,0,0,0|2,0,0]=4 178 B6R0.4 CC(=O)NCCCl SBB008165 [1,1,0,0,0,0|2,0,0]=4 179 B6R0.4 CC(=O)NCCN SBB028176 [1,1,0,0,0,0|2,0,0]=4 180 B6R0.4 CC(=O)NCCO SBB007954 [1,1,0,0,0,0|1,1,0]=4 181 B6R0.4 CC(=O)OCCCl SBB058505 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.4 CC(C)COC=O SBB061244 [1,1,0,0,0,0|1,0,0]=3 183 B6R0.4 CCC#CC(C)=O SBB009086 [1,1,0,0,0,0|0,0,2]=4 184 B6R0.4 CCCCC(=O)O SBB053585 [1,1,0,0,0,0|0,0,0]=2 185 B6R0.4 CCCCC(C)=O SBB061262 [1,1,0,0,0,0|0,0,0]=2 186 B6R0.4 CCCCC(C)O SBB061290 [1,1,0,0,0,0|0,0,2]=4 187 B6R0.4 CCCCC(N)=O SBB028169 [1,1,0,0,0,0|0,0,0]=2 188 B6R0.4 CCCCN(C)C SBB060243 [1,1,0,0,0,0|1,0,1]=4 189 B6R0.4 CCCNC(N)=O SBB028174 [1,1,0,0,0,0|1,0,0]=3 190 B6R0.4 CCCOC(C)=O SBB060305 [1,1,0,0,0,0|1,0,0]=3 191 B6R0.4 CCCOC(N)=O SBB000036 [1,1,0,0,0,0|1,0,0]=3 192 B6R0.4 CCOCC(=O)O SBB069120 [1,1,0,0,0,0|1,0,0]=3 193 B6R0.4 CCSCC(=O)O SBB047288 [1,1,0,0,0,0|1,0,0]=3 194 B6R0.4 CC\C=C\C(=O)O SBB061994 [1,1,0,0,0,0|0,0,2]=4 195 B6R0.4 CN(C)CCCN SBB028177 [1,1,0,0,0,0|2,0,0]=4 196 B6R0.4 CNCCC(N)=O SBB080375 [1,1,0,0,0,0|1,0,0]=3 197 B6R0.4 NCCCC(=O)O SBB028179 [1,1,0,0,0,0|1,0,0]=3 198 B6R0.4 O=C(Cl)CCCCl SBB060894 [1,1,0,0,0,0|1,0,0]=3 199 B6R0.4 O=C(O)CCCBr SBB065986 [1,1,0,0,0,0|1,0,0]=3 200 B8R0.4 C=CCCCCCCC SBB060474 [0,2,0,0,0,0|2,0,0]=4 201 B8R0.4 CCCCCCCC=O SBB059871 [0,2,0,0,0,0|1,0,0]=3 202 B8R0.4 CCCCCCN=C=O SBB058614 [0,2,0,0,0,0|1,0,1]=4 203 B8R0.4 CCCCCCNC=O SBB061175 [0,2,0,0,0,0|1,0,0]=3 204 B8R0.4 CCCCCCOC=O SBB060302 [0,2,0,0,0,0|1,0,0]=3 205 B8R0.4 CCCCCCSCC SBB061179 [0,2,0,0,0,0|1,0,1]=4 206 B8R0.4 CCCCC\C=C\C=O SBB068337 [0,2,0,0,0,0|1,0,0]=3 207 B8R0.4 CCSCCOCCO SBB061065 [0,2,0,0,0,0|0,0,2]=4 208 B8R0.4 C\C=C\CSCCCC SBB061594 [0,2,0,0,0,0|2,0,0]=4 209 B8R0.6 CCCCCC(=O)CC SBB060388 [0,2,0,0,0,0|1,0,0]=3 210 B8R0.6 CCCCCC(=O)NN SBB021010 [0,2,0,0,0,0|1,0,0]=3 211 B8R0.6 CCCCCC(=O)NO SBB008093 [0,2,0,0,0,0|1,0,0]=3 212 B8R0.6 CCCCCC(=O)OC SBB060591 [0,2,0,0,0,0|1,0,0]=3 213 B8R0.6 CCCCNC(=O)CCl SBB010319 [0,2,0,0,0,0|2,0,0]=4 214 B8R0.6 CCCCOC(=O)CC SBB060578 [0,2,0,0,0,0|2,0,0]=4 215 B8R0.6 CCCCOC(=O)CCl SBB060760 [0,2,0,0,0,0|2,0,0]=4 216 B8R0.6 CCCCOC(=O)CF SBB085867 [0,2,0,0,0,0|2,0,0]=4 217 B8R0.6 CCCCOC(=O)CS SBB061004 [0,2,0,0,0,0|2,0,0]=4 218 B8R0.6 CCNCCC(=O)NN SBB046550 [0,2,0,0,0,0|2,0,0]=4 219 B8R0.6 CCOCCC(=O)NN SBB079954 [0,2,0,0,0,0|2,0,0]=4 220 B8R0.6 COC(=O)CCCCBr SBB070759 [0,2,0,0,0,0|2,0,0]=4 221 B8R0.6 COCCNC(=O)CCl SBB038704 [0,2,0,0,0,0|1,1,0]=4 222 B8R0.7 C#CCCCCC(=O)O SBB008797 [0,2,0,0,0,0|1,0,1]=4 223 B8R0.7 C=C(C)CSCCCC SBB061593 [0,2,0,0,0,0|2,0,0]=4 224 B8R0.7 C=CCNCCC(N)=O SBB116743 [0,2,0,0,0,0|1,0,1]=4 225 B8R0.7 CC(=O)CCCOC=O SBB001557 [0,2,0,0,0,0|1,0,0]=3 226 B8R0.7 CC(=O)OCCCCCl SBB059334 [0,2,0,0,0,0|2,0,0]=4 227 B8R0.7 CCCCCCC(=O)Cl SBB060012 [0,2,0,0,0,0|1,0,0]=3 228 B8R0.7 CCCCCCC(=O)O SBB053587 [0,2,0,0,0,0|1,0,0]=3 229 B8R0.7 CCCCCCC(C)=O SBB060387 [0,2,0,0,0,0|1,0,0]=3 230 B8R0.7 CCCCCOC(C)=O SBB060027 [0,2,0,0,0,0|1,0,0]=3 231 B8R0.7 CCCCSCC(=O)O SBB061205 [0,2,0,0,0,0|1,0,0]=3 232 B8R0.7 CCCNCCC(N)=O SBB116773 [0,2,0,0,0,0|1,0,0]=3 233 B8R0.7 CCOCCOC(C)=O SBB061000 [0,2,0,0,0,0|1,1,0]=4 234 B8R0.7 COCCOCC(=O)O SBB008497 [0,2,0,0,0,0|0,1,0]=3 235 B8R0.7 N#CCCNCC(=O)O SBB005852 [0,2,0,0,0,0|2,0,0]=4 236 B8R0.7 NC(=O)CCNCCO SBB116776 [0,2,0,0,0,0|2,0,0]=4 237 B8R0.7 NCCCCCC(=O)O SBB015068 [0,2,0,0,0,0|1,0,0]=3 238 B8R0.7 O=C(O)CCCCCBr SBB065783 [0,2,0,0,0,0|1,0,0]=3 239 B8R0.7 O=C(O)CCNCCO SBB079386 [0,2,0,0,0,0|2,0,0]=4 240 B8R0.3 O=CC[C@H](O)[C@H](O)CO SBB067136 [0,2,0,0,0,0|2,0,0]=4 241 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,2,0,0,0,0|1,0,1]=4 242 B8R0.8 CCCCC(Br)C(=O)O SBB069524 [0,2,0,0,0,0|1,0,0]=3 243 B8R0.8 CCCCC(C)C(=O)O SBB072714 [0,2,0,0,0,0|1,0,0]=3 244 B8R0.8 CCCCC(N)C(C)=O SBB014561 [0,2,0,0,0,0|1,0,0]=3 245 B8R0.8 CCCC[C@H](N)C(=O)O SBB065920 [0,2,0,0,0,0|1,0,0]=3 246 B8R0.8 NCCCC(N)C(=O)O SBB047988 [0,2,0,0,0,0|2,0,0]=4 247 B8R0.8 OC(=O)C(C)CCCCl SBB004068 [0,2,0,0,0,0|2,0,0]=4 248 B8R0.8 OC(=O)[C@@H](CCSC)N SBB006710 [0,2,0,0,0,0|0,0,0]=2 249 B8R0.8 [NH3+]CCCC(N)C(=O)O SBB061681 [0,2,0,0,0,0|2,0,0]=4 250 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [0,2,0,0,0,0|1,0,1]=4 251 B8R0.9 CNC(=O)CCC(=O)O SBB007999 [0,2,0,0,0,0|1,0,1]=4 252 B8R0.9 COC(=O)CCC(=O)O SBB061270 [0,2,0,0,0,0|0,1,1]=4 253 B8R0.11 CCCCC(C=O)CC SBB060148 [0,2,0,0,0,0|1,0,0]=3 254 B8R0.5 CCCC(C)CC(=O)O SBB061321 [0,2,0,0,0,0|1,0,0]=3 255 B8R0.28 CC(=O)NCCC(=O)O SBB065847 [0,2,0,0,0,0|2,0,0]=4 256 B8R0.28 CC(=O)OCCC(C)C SBB040873 [0,2,0,0,0,0|2,0,0]=4 257 B8R0.28 CC(C)CCCC(=O)O SBB072713 [0,2,0,0,0,0|1,0,0]=3 258 B8R0.28 O=C(O)CCCC(=O)O SBB060277 [0,2,0,0,0,0|2,0,0]=4 259 B8R0.28 OC(=O)CCCN(C)C SBB005767 [0,2,0,0,0,0|1,0,0]=3 260 B8R0.28 [NH+](C)(C)CCCC(=O)O SBB058463 [0,2,0,0,0,0|1,0,0]=3 261 B6R1.1 C1=COCCC1 SBB060381 [1,0,0,1,0,0|0,0,2]=4 262 B6R1.1 C1CSCCN1 SBB056209 [1,0,0,1,0,0|1,0,1]=4 263 B6R1.1 C1CSCCO1 SBB060674 [1,0,0,1,0,0|1,0,1]=4 264 B6R1.1 C1CSCSC1 SBB061220 [1,0,0,1,0,0|0,1,0]=3 265 B6R1.1 C1SCSCS1 SBB056869 [1,0,0,1,0,0|1,1,0]=4 266 B6R1.2 BrC1CCCC1 SBB040823 [1,0,0,1,0,0|1,0,1]=4 267 B6R1.2 F[C@H]1CCNC1 SBB085616 [1,0,0,1,0,0|2,0,0]=4 268 B6R1.2 N1CCC(N)C1 SBB027337 [1,0,0,1,0,0|2,0,0]=4 269 B6R1.2 NC1=NCCS1 SBB004361 [1,0,0,1,0,0|2,0,0]=4 270 B6R1.2 NC1CCCC1 SBB040467 [1,0,0,1,0,0|1,0,1]=4 271 B6R1.2 NC1CCNC1 SBB003982 [1,0,0,1,0,0|2,0,0]=4 272 B6R1.2 NN1CCCC1 SBB066760 [1,0,0,1,0,0|2,0,0]=4 273 B6R1.2 O=C1CCCC1 SBB040835 [1,0,0,1,0,0|0,0,0]=2 274 B6R1.2 O=C1CCCN1 SBB060296 [1,0,0,1,0,0|1,0,0]=3 275 B6R1.2 O=C1CCNN1 SBB007977 [1,0,0,1,0,0|2,0,0]=4 276 B6R1.2 O=C1CCSC1 SBB007947 [1,0,0,1,0,0|0,0,0]=2 277 B6R1.2 OC1CCNC1 SBB056152 [1,0,0,1,0,0|1,0,1]=4 278 B6R1.2 O[C@H]1CCNC1 SBB004272 [1,0,0,1,0,0|1,0,1]=4 279 B6R1.2 O[C@H]1CCNC1 SBB027336 [1,0,0,1,0,0|1,0,1]=4 280 B6R1.2 O[C@H]1CCOC1 SBB062959 [1,0,0,1,0,0|0,1,1]=4 281 B6R1.2 SC1=NCCS1 SBB004290 [1,0,0,1,0,0|1,1,0]=4 282 B6R1.6 BrCC1CCC1 SBB054975 [1,0,0,1,0,0|1,0,1]=4 283 B6R1.6 NCC1CCC1 SBB108847 [1,0,0,1,0,0|1,0,1]=4 284 B8R1.2 C(=O)N1CCCCC1 SBB004316 [0,1,0,1,0,0|1,0,0]=3 285 B8R1.2 C(=O)N1CCNCC1 SBB027307 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.2 C(=O)N1CCOCC1 SBB007670 [0,1,0,1,0,0|1,1,0]=4 287 B8R1.2 C=CC1CC=CCC1 SBB059892 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.2 COC1C=CCCC1 SBB060461 [0,1,0,1,0,0|1,1,0]=4 289 B8R1.2 O=CC1=CCCOC1 SBB018863 [0,1,0,1,0,0|0,1,1]=4 290 B8R1.2 O=CC1CC=CCC1 SBB068360 [0,1,0,1,0,0|1,0,0]=3 291 B8R1.2 O=CC1CCNCC1 SBB052337 [0,1,0,1,0,0|1,0,0]=3 292 B8R1.2 O=CC1CCOCC1 SBB052321 [0,1,0,1,0,0|0,1,0]=3 293 B8R1.2 ON=C1CCCCC1 SBB058381 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.5 CC1=C(C)CCCC1 SBB060472 [0,1,0,1,0,0|2,0,0]=4 295 B8R1.5 CC1=NCCCN1C SBB001664 [0,1,0,1,0,0|2,0,0]=4 296 B8R1.5 CC1CCCCC1=O SBB058517 [0,1,0,1,0,0|1,0,0]=3 297 B8R1.5 CC1NCCNC1=O SBB080100 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.5 CC1SCCNC1=O SBB111924 [0,1,0,1,0,0|1,0,0]=3 299 B8R1.5 NC1CCCNC1=O SBB012739 [0,1,0,1,0,0|2,0,0]=4 300 B8R1.5 O=C1CCCCC1Cl SBB061548 [0,1,0,1,0,0|1,0,0]=3 301 B8R1.8 C=CCC1CCCC1 SBB008872 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.8 O=C=NC1CCCC1 SBB046723 [0,1,0,1,0,0|1,0,1]=4 303 B8R1.22 O=C1CCCCCC1 SBB060075 [0,1,0,1,0,0|1,0,0]=3 304 B8R1.22 O=C1CCCCCN1 SBB058658 [0,1,0,1,0,0|1,0,0]=3 305 B8R1.22 O=C1CCNCCN1 SBB056241 [0,1,0,1,0,0|2,0,0]=4 306 B8R1.49 C1=CCCCCCC1 SBB059890 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.1 CCC1COC(=O)O1 SBB008625 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.3 CN1CCC(=O)CC1 SBB080527 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.3 O=C1CCC(=O)CC1 SBB059391 [0,1,0,1,0,0|1,0,1]=4 312 B8R1.3 O=C1CCC(O)CC1 SBB056283 [0,1,0,1,0,0|1,0,0]=3 313 B8R1.50 CC1C(=O)CCC1=O SBB060744 [0,1,0,1,0,0|1,0,1]=4 314 B8R1.50 CN1CCN(C)C1=O SBB008346 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [0,1,0,1,0,0|1,0,0]=3 316 B8R1.4 NC1=CC(=O)CCC1 SBB028190 [0,1,0,1,0,0|1,0,1]=4 317 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [0,1,0,1,0,0|1,0,0]=3 318 B8R1.4 O=C1CCCC(=O)O1 SBB060010 [0,1,0,1,0,0|2,0,0]=4 319 B8R1.4 O=C1CSCC(=O)O1 SBB085808 [0,1,0,1,0,0|1,0,1]=4 320 B8R1.7 N=C(N)C1CCCC1 SBB056275 [0,1,0,1,0,0|2,0,0]=4 321 B8R1.7 NC(=O)C1CCCN1 SBB004067 [0,1,0,1,0,0|2,0,0]=4 322 B8R1.7 NC(=O)[C@@H]1CCCN1 SBB006531 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.7 O=C(O)C1CC=CC1 SBB008010 [0,1,0,1,0,0|1,0,1]=4 324 B8R1.7 O=C(O)C1CCCC1 SBB065782 [0,1,0,1,0,0|1,0,0]=3 325 B8R1.7 O=C(O)C1CCCO1 SBB004298 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.7 O=C(O)C1CCNC1 SBB053378 [0,1,0,1,0,0|1,0,0]=3 327 B8R1.7 O=C(O)C1CCNC1 SBB069272 [0,1,0,1,0,0|1,0,0]=3 328 B8R1.7 O=C(O)C1CCOC1 SBB053083 [0,1,0,1,0,0|0,1,0]=3 329 B8R1.7 O=C(O)[C@@H]1CSCN1 SBB015063 [0,1,0,1,0,0|1,0,0]=3 330 B8R1.7 O=C(O)[C@H]1CCCN1 SBB006712 [0,1,0,1,0,0|2,0,0]=4 331 B8R1.7 O=C(O)[C@H]1CCNC1 SBB065825 [0,1,0,1,0,0|1,0,0]=3 332 B8R1.19 CC1(Br)CCOC1=O SBB057373 [0,1,0,1,0,0|2,0,0]=4 333 B8R1.34 O=C(O)CC1CCC1 SBB050298 [0,1,0,1,0,0|1,0,0]=3