0 B6R0.6 BrCCOCCBr SBB054744 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.6 C#CCCCCC SBB067441 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C#CCCCCO SBB015110 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.6 C#CCNCC=C SBB301262 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.6 C#CCOCCO SBB067658 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.6 C=CCCCCBr SBB054740 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.6 C=CCCCCC SBB059882 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 C=CCNCC=C SBB060901 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.6 C=CCOCCO SBB060194 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.6 CCCCCC#N SBB060051 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.6 CCCCCCBr SBB059934 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.6 CCCCCCCl SBB059952 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.6 CCCCCCN SBB059984 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.6 CCCCCCO SBB059899 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.6 CCCCCOC SBB061300 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.6 CCCCSCC SBB061178 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.6 CCCNCCC SBB059762 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.6 CCCOCCO SBB061379 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.6 CCCSCCC SBB061017 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.6 CCCSCCO SBB058605 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.6 CCOCCCN SBB028180 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.6 CC\C=C/CCO SBB007739 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.6 ClCCOCCCl SBB059969 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.6 N#CCCCCCl SBB061418 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.6 N(CC#N)CC#N SBB006575 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.6 NCCCCCN SBB079706 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.6 NCCNCCN SBB059776 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.6 NCCNCCO SBB028183 [0,0,0,0,0,0|1,0,0]=1 28 B6R0.6 NCCOCCO SBB060906 [0,0,0,0,0,0|2,0,0]=2 29 B6R0.6 NCCSCCO SBB056468 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.6 OCCNCCO SBB059779 [0,0,0,0,0,0|0,0,0]=0 31 B6R0.6 OCCOCCCl SBB060189 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.6 OCCSCCO SBB060117 [0,0,0,0,0,0|1,0,0]=1 33 B6R0.6 SCCOCCS SBB058846 [0,0,0,0,0,0|1,2,0]=3 34 B5R0.2 BrCCCCBr SBB060204 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.2 CC#CCCO SBB009118 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.2 CCC#CCO SBB009120 [1,0,0,0,0,0|1,0,1]=3 37 B5R0.2 CCCCCBr SBB059933 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.2 CCCCCCl SBB059951 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.2 CCNNCC SBB069584 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.2 CCOCCBr SBB008332 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.2 CCOCCCl SBB061015 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.2 CCOCCN SBB072161 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.2 CCSCCN SBB017894 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.2 CNCCCN SBB059823 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.2 CSCCCO SBB056451 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.2 FCCCCBr SBB087044 [1,0,0,0,0,0|2,0,0]=3 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|2,0,0]=3 50 B5R0.2 OCCCCCl SBB002444 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.1 BrCCCCCCBr SBB060205 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.1 C#CCNCCCC SBB300093 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.1 C=CCCCCCC SBB059884 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.1 C=CCNCCC#N SBB116759 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.1 CCCC#CCCO SBB008799 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.1 CCCCC#CCO SBB008796 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.1 CCCCCCC#N SBB060052 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.1 CCCCCCCBr SBB059936 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.1 CCCCCCCCl SBB059954 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.1 CCCCCCCN SBB059985 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.1 CCCCCCOC SBB061157 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.1 CCCCNCCC SBB059822 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.1 CCCCOCCBr SBB007731 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.1 CCCCOCCCl SBB059964 [0,1,0,0,0,0|3,0,0]=4 65 B7R0.1 CCCCOCCO SBB059918 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.1 CCCCSCCN SBB072659 [0,1,0,0,0,0|3,0,0]=4 67 B7R0.1 CCCCSCCO SBB013616 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.1 CCCCSCCS SBB057435 [0,1,0,0,0,0|2,1,0]=4 69 B7R0.1 CCCNCCC#N SBB059761 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.1 CCCOCCCN SBB056585 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.1 CCCSSCCC SBB058501 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.1 CCNCCCCO SBB052126 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.1 COCCOCCCl SBB059966 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.1 COCCOCCO SBB059920 [0,1,0,0,0,0|1,0,0]=2 75 B7R0.1 COCCOCCS SBB061387 [0,1,0,0,0,0|1,1,0]=3 76 B7R0.1 COCCSCCO SBB061070 [0,1,0,0,0,0|1,0,0]=2 77 B7R0.1 ClCCCCCCCl SBB060213 [0,1,0,0,0,0|3,0,0]=4 78 B7R0.1 N#CCCCCCBr SBB058579 [0,1,0,0,0,0|3,0,0]=4 79 B7R0.1 N#CCCSCCO SBB069588 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.1 NCCCCCCN SBB059999 [0,1,0,0,0,0|3,0,0]=4 81 B7R0.1 NCCCNCCN SBB052120 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.1 NCCCNCCO SBB059810 [0,1,0,0,0,0|1,0,0]=2 83 B7R0.1 NCCSSCCN SBB003325 [0,1,0,0,0,0|3,0,0]=4 84 B7R0.1 OCC#CC#CCO SBB008793 [0,1,0,0,0,0|1,0,2]=4 85 B7R0.1 OCCCCCCBr SBB054752 [0,1,0,0,0,0|2,0,0]=3 86 B7R0.1 OCCCCCCCl SBB060188 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.1 OCCCCCCN SBB006584 [0,1,0,0,0,0|2,0,0]=3 88 B7R0.1 OCCCCCCO SBB059915 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.1 OCCCCCCS SBB058615 [0,1,0,0,0,0|1,1,0]=3 90 B7R0.3 CC(CN)CCCN SBB058625 [0,1,0,0,0,0|3,0,0]=4 91 B7R0.3 CCCCC(Cl)CCl SBB060394 [0,1,0,0,0,0|3,0,0]=4 92 B7R0.3 CCCNC(=O)CCl SBB016586 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.3 CCN(C)CCCO SBB046555 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.3 OC[C@H](CCSC)N SBB006701 [0,1,0,0,0,0|3,0,0]=4 95 B7R0.4 CC(C)CCCCBr SBB008833 [0,1,0,0,0,0|3,0,0]=4 96 B7R0.4 CC(Cl)COCCCl SBB056511 [0,1,0,0,0,0|3,0,0]=4 97 B7R0.4 CCCCCC(=O)O SBB053586 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.4 CCCOCC(C)O SBB061007 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.4 NCCCCC(=O)O SBB061559 [0,1,0,0,0,0|2,0,1]=4 100 B7R0.4 O=C(O)CCCCBr SBB061343 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.4 O=C(O)CCCCCl SBB061215 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.7 CCCC(=O)CCC SBB060386 [0,1,0,0,0,0|3,0,0]=4 103 B7R0.7 CCCC(N)CCC SBB018801 [0,1,0,0,0,0|3,0,0]=4 104 B7R0.7 CCCC(O)CCC SBB061327 [0,1,0,0,0,0|3,0,0]=4 105 B7R0.7 CCCN(C)CCC SBB061592 [0,1,0,0,0,0|2,0,0]=3 106 B7R0.7 CCNC(C)CCO SBB046562 [0,1,0,0,0,0|3,0,0]=4 107 B7R0.7 O=C(NCO)NCO SBB071713 [0,1,0,0,0,0|3,0,0]=4 108 B7R1.1 BrCC1CCCC1 SBB054968 [0,0,0,1,0,0|3,0,0]=4 109 B7R1.1 BrCC1CCCO1 SBB003909 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.1 BrCC1OCCO1 SBB070708 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.1 ClCC1CCCN1 SBB018633 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.1 ClCC1CCCO1 SBB008957 [0,0,0,1,0,0|2,0,0]=3 113 B7R1.1 NCC1CCCO1 SBB028168 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.1 OCC1CCCC1 SBB008516 [0,0,0,1,0,0|2,0,0]=3 115 B7R1.1 OCC1CCCO1 SBB058567 [0,0,0,1,0,0|1,0,0]=2 116 B7R1.1 OCC1CCNC1 SBB046413 [0,0,0,1,0,0|3,0,0]=4 117 B7R1.1 OCC1OCCO1 SBB059646 [0,0,0,1,0,0|1,0,0]=2 118 B7R1.1 OC[C@H]1CCCN1 SBB027252 [0,0,0,1,0,0|1,0,0]=2 119 B7R1.3 BrC1CCCCC1 SBB059944 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.3 CC1CCCCC1 SBB061163 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.3 FC1CCCNC1 SBB070684 [0,0,0,1,0,0|2,0,0]=3 122 B7R1.3 N1CCCC(C)C1 SBB027301 [0,0,0,1,0,0|2,0,0]=3 123 B7R1.3 N1CCCC(O)C1 SBB004193 [0,0,0,1,0,0|1,0,0]=2 124 B7R1.3 N1CCCCC1C SBB027300 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.3 N1CCNC(C)C1 SBB027299 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.3 NC1CCCCC1 SBB040492 [0,0,0,1,0,0|3,0,0]=4 127 B7R1.3 NC1CCCNC1 SBB052004 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.3 NC1CCCOC1 SBB012974 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [0,0,0,1,0,0|2,0,0]=3 130 B7R1.3 N[C@H]1CCCNC1 SBB017596 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.3 O=C1CCCCO1 SBB060349 [0,0,0,1,0,0|1,0,2]=4 132 B7R1.3 O=C1CNCCN1 SBB000034 [0,0,0,1,0,0|1,0,2]=4 133 B7R1.3 OC1CCCCC1 SBB060483 [0,0,0,1,0,0|2,0,0]=3 134 B7R1.3 OC1CCCCO1 SBB055947 [0,0,0,1,0,0|1,0,0]=2 135 B7R1.3 OC1CCCNC1 SBB027351 [0,0,0,1,0,0|1,0,0]=2 136 B7R1.3 OC1CCNCC1 SBB027346 [0,0,0,1,0,0|3,0,0]=4 137 B7R1.3 OC1CCOCC1 SBB055945 [0,0,0,1,0,0|3,0,0]=4 138 B7R1.4 BrC1CCCC1Br SBB060684 [0,0,0,1,0,0|3,0,0]=4 139 B7R1.4 ClC1CCCC1Cl SBB060212 [0,0,0,1,0,0|3,0,0]=4 140 B7R1.4 N[C@@H]1CSC[C@H]1O SBB014689 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.4 OC1CCCC1Cl SBB060196 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [0,0,0,1,0,0|1,0,0]=2 143 B7R1.7 CCCCC1CO1 SBB017137 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.24 C1=CCCCCC1 SBB059889 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.24 C1CCCCCC1 SBB060406 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.24 C1CNCCNC1 SBB004367 [0,0,0,1,0,0|2,0,0]=3 147 B7R1.24 C1CNCCOC1 SBB049498 [0,0,0,1,0,0|1,0,0]=2 148 B7R1.24 N1CCCCCC1 SBB027297 [0,0,0,1,0,0|2,0,0]=3 149 B4R0.2 BrCCCBr SBB060203 [2,0,0,0,0,0|2,0,0]=4 150 B4R0.2 CCCCBr SBB059930 [2,0,0,0,0,0|1,0,0]=3 151 B4R0.2 CNCC#N SBB071612 [2,0,0,0,0,0|1,0,1]=4 152 B4R0.2 CNCCI SBB071605 [2,0,0,0,0,0|1,0,0]=3 153 B4R0.2 COCCBr SBB007906 [2,0,0,0,0,0|2,0,0]=4 154 B4R0.2 C\C=C\CC SBB059879 [2,0,0,0,0,0|1,0,1]=4 155 B4R0.2 ClCCCBr SBB058669 [2,0,0,0,0,0|2,0,0]=4 156 B4R0.2 ClCCCCl SBB040918 [2,0,0,0,0,0|2,0,0]=4 157 B4R0.2 OCCCBr SBB054750 [2,0,0,0,0,0|1,0,0]=3 158 B4R0.2 [NH2+](CC)CC SBB059849 [2,0,0,0,0,0|0,0,1]=3 159 B6R0.1 CCCC(=O)CC SBB061496 [1,1,0,0,0,0|2,0,0]=4 160 B6R0.1 CCCC(C)CO SBB061282 [1,1,0,0,0,0|1,0,0]=3 161 B6R0.1 CCCC(O)CC SBB061363 [1,1,0,0,0,0|2,0,0]=4 162 B6R0.1 CCNC(=O)CBr SBB051008 [1,1,0,0,0,0|1,0,1]=4 163 B6R0.1 CCNC(=O)CCl SBB008200 [1,1,0,0,0,0|1,0,1]=4 164 B6R0.1 CCNC(C)CO SBB046531 [1,1,0,0,0,0|0,0,0]=2 165 B6R0.1 CNC(C)CCO SBB046542 [1,1,0,0,0,0|2,0,0]=4 166 B6R0.1 OC(CBr)CCBr SBB007842 [1,1,0,0,0,0|2,0,0]=4 167 B6R0.1 OCNC(=O)CCl SBB004273 [1,1,0,0,0,0|1,0,1]=4 168 B6R0.4 CC(=O)NCCCl SBB008165 [1,1,0,0,0,0|1,0,1]=4 169 B6R0.4 CC(=O)NCCN SBB028176 [1,1,0,0,0,0|1,0,1]=4 170 B6R0.4 CC(=O)NCCO SBB007954 [1,1,0,0,0,0|0,0,1]=3 171 B6R0.4 CC(C)NCCN SBB048119 [1,1,0,0,0,0|1,0,0]=3 172 B6R0.4 CC(C)NCCO SBB056428 [1,1,0,0,0,0|0,0,0]=2 173 B6R0.4 CC(C)OCCN SBB301616 [1,1,0,0,0,0|2,0,0]=4 174 B6R0.4 CCC#CC(C)O SBB067141 [1,1,0,0,0,0|1,0,1]=4 175 B6R0.4 CCCCC(=O)O SBB053585 [1,1,0,0,0,0|1,0,1]=4 176 B6R0.4 CCCCC(C)O SBB061290 [1,1,0,0,0,0|1,0,0]=3 177 B6R0.4 CCOCC(=O)O SBB069120 [1,1,0,0,0,0|1,0,1]=4 178 B6R0.4 CCOCC(C)O SBB061006 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.4 CCSCC(=O)O SBB047288 [1,1,0,0,0,0|1,0,1]=4 180 B6R0.4 NCCCC(=O)O SBB028179 [1,1,0,0,0,0|1,0,1]=4 181 B6R0.4 O=C(O)CCCBr SBB065986 [1,1,0,0,0,0|1,0,1]=4 182 B8R0.1 CCCCS(=O)CCO SBB019077 [0,2,0,0,0,0|2,0,0]=4 183 B8R0.1 CCOC(=O)NCCO SBB079074 [0,2,0,0,0,0|1,0,1]=4 184 B8R0.1 N#CCC(=O)NCCO SBB049444 [0,2,0,0,0,0|1,0,1]=4 185 B8R0.1 O=C(CCS)OCCO SBB008479 [0,2,0,0,0,0|1,1,0]=4 186 B8R0.4 C#CCCCCCCO SBB062745 [0,2,0,0,0,0|2,0,0]=4 187 B8R0.4 CCCCC#CCCO SBB009106 [0,2,0,0,0,0|2,0,0]=4 188 B8R0.4 CCCCCC#CCO SBB009105 [0,2,0,0,0,0|2,0,0]=4 189 B8R0.4 CCCCCCCCO SBB059902 [0,2,0,0,0,0|2,0,0]=4 190 B8R0.4 CCCCCCOC=O SBB060302 [0,2,0,0,0,0|2,0,0]=4 191 B8R0.4 CCCCCNCCO SBB059826 [0,2,0,0,0,0|1,0,0]=3 192 B8R0.4 CCCCNCCC#N SBB017631 [0,2,0,0,0,0|2,0,0]=4 193 B8R0.4 CCCCNCCCC SBB059755 [0,2,0,0,0,0|2,0,0]=4 194 B8R0.4 CCCCNCCOC SBB056732 [0,2,0,0,0,0|1,0,0]=3 195 B8R0.4 CCOCCOCCCl SBB060378 [0,2,0,0,0,0|2,0,0]=4 196 B8R0.4 CCOCCOCCO SBB060178 [0,2,0,0,0,0|1,0,0]=3 197 B8R0.4 CCSCCOCCO SBB061065 [0,2,0,0,0,0|1,1,0]=4 198 B8R0.4 COCCNCCC#N SBB116774 [0,2,0,0,0,0|1,0,0]=3 199 B8R0.4 COCCNCCOC SBB059845 [0,2,0,0,0,0|0,0,0]=2 200 B8R0.4 COCCOCCCN SBB061669 [0,2,0,0,0,0|2,0,0]=4 201 B8R0.4 N#CCCNCCC#N SBB007920 [0,2,0,0,0,0|2,0,0]=4 202 B8R0.4 NCCCNCCCN SBB059777 [0,2,0,0,0,0|2,0,0]=4 203 B8R0.4 OCCCCCCCBr SBB061558 [0,2,0,0,0,0|2,0,0]=4 204 B8R0.6 C#CC(O)CCCCC SBB009107 [0,2,0,0,0,0|2,0,0]=4 205 B8R0.6 CCC(C)NCCC#N SBB116741 [0,2,0,0,0,0|2,0,0]=4 206 B8R0.6 CCCCCC(O)CC SBB059904 [0,2,0,0,0,0|2,0,0]=4 207 B8R0.6 COCCNC(=O)CCl SBB038704 [0,2,0,0,0,0|1,0,1]=4 208 B8R0.6 OC(CCl)COCCCl SBB056672 [0,2,0,0,0,0|2,0,0]=4 209 B8R0.6 OCCCCC(O)CO SBB061014 [0,2,0,0,0,0|1,0,0]=3 210 B8R0.6 OCCOCC(O)CCl SBB061082 [0,2,0,0,0,0|1,0,0]=3 211 B8R0.7 CC(C)CNCCCO SBB301242 [0,2,0,0,0,0|1,0,0]=3 212 B8R0.7 CCCCCCC(=O)O SBB053587 [0,2,0,0,0,0|2,0,0]=4 213 B8R0.7 CCCCCCC(C)O SBB059903 [0,2,0,0,0,0|2,0,0]=4 214 B8R0.7 CCCCNCC(C)C SBB059764 [0,2,0,0,0,0|2,0,0]=4 215 B8R0.7 CCCCNCC(C)O SBB059782 [0,2,0,0,0,0|1,0,0]=3 216 B8R0.7 CCCNCCC(N)=O SBB116773 [0,2,0,0,0,0|1,0,1]=4 217 B8R0.7 CN(C)CCOCCO SBB056528 [0,2,0,0,0,0|2,0,0]=4 218 B8R0.7 COCCNCC(F)F SBB046643 [0,2,0,0,0,0|1,0,0]=3 219 B8R0.7 COCCOCC(=O)O SBB008497 [0,2,0,0,0,0|1,0,1]=4 220 B8R0.7 N#CCCNCC(=O)O SBB005852 [0,2,0,0,0,0|1,0,1]=4 221 B8R0.7 NC(=O)CCNCCO SBB116776 [0,2,0,0,0,0|0,0,1]=3 222 B8R0.7 NCCCCCC(=O)O SBB015068 [0,2,0,0,0,0|2,0,0]=4 223 B8R0.7 O=C(O)CCCCCBr SBB065783 [0,2,0,0,0,0|2,0,0]=4 224 B8R0.7 O=C(O)CCNCCO SBB079386 [0,2,0,0,0,0|0,0,0]=2 225 B8R0.8 CC(O)C(=O)NCCO SBB008212 [0,2,0,0,0,0|0,0,1]=3 226 B8R0.11 CCCCC(CC)CO SBB059906 [0,2,0,0,0,0|2,0,0]=4 227 B8R0.11 CCCCC(CO)CO SBB059212 [0,2,0,0,0,0|2,0,0]=4 228 B8R0.19 CCC(C)NC(C)CC SBB059801 [0,2,0,0,0,0|2,0,0]=4 229 B8R0.25 CC(C)(CO)CCCN SBB007685 [0,2,0,0,0,0|2,0,0]=4 230 B8R0.25 CCC(C)(C)OCCO SBB061089 [0,2,0,0,0,0|2,0,0]=4 231 B8R0.21 OCCOCC(F)(F)F SBB056421 [0,2,0,0,0,0|2,0,0]=4 232 B8R0.28 CC(C)CNCC(C)C SBB058770 [0,2,0,0,0,0|2,0,0]=4 233 B8R0.28 CC(C)COCC(C)O SBB061009 [0,2,0,0,0,0|2,0,0]=4 234 B8R0.28 CC(O)CNCC(C)O SBB058768 [0,2,0,0,0,0|0,0,0]=2 235 B8R0.28 O=C(O)CNCC(=O)O SBB028457 [0,2,0,0,0,0|0,0,2]=4 236 B8R0.22 C(=O)N(CCC)CCC SBB008026 [0,2,0,0,0,0|2,0,0]=4 237 B8R0.22 CCN(CCO)CCO SBB058753 [0,2,0,0,0,0|0,0,0]=2 238 B6R1.1 C1=COCCC1 SBB060381 [1,0,0,1,0,0|1,0,1]=4 239 B6R1.1 C1CSCCN1 SBB056209 [1,0,0,1,0,0|0,1,0]=3 240 B6R1.1 C1CSCCO1 SBB060674 [1,0,0,1,0,0|1,0,0]=3 241 B6R1.2 BrC1CCCC1 SBB040823 [1,0,0,1,0,0|2,0,0]=4 242 B6R1.2 CC1=NCCN1 SBB040067 [1,0,0,1,0,0|1,0,1]=4 243 B6R1.2 F[C@H]1CCNC1 SBB085616 [1,0,0,1,0,0|1,0,0]=3 244 B6R1.2 N1CCC(N)C1 SBB027337 [1,0,0,1,0,0|1,0,0]=3 245 B6R1.2 NC1CCCC1 SBB040467 [1,0,0,1,0,0|2,0,0]=4 246 B6R1.2 NC1CCNC1 SBB003982 [1,0,0,1,0,0|1,0,0]=3 247 B6R1.2 OC1=NNCC1 SBB047550 [1,0,0,1,0,0|1,0,1]=4 248 B6R1.2 OC1CCNC1 SBB056152 [1,0,0,1,0,0|0,0,0]=2 249 B6R1.2 O[C@H]1CCNC1 SBB004272 [1,0,0,1,0,0|0,0,0]=2 250 B6R1.2 O[C@H]1CCNC1 SBB027336 [1,0,0,1,0,0|0,0,0]=2 251 B6R1.2 O[C@H]1CCOC1 SBB062959 [1,0,0,1,0,0|1,0,0]=3 252 B6R1.6 BrCC1CCC1 SBB054975 [1,0,0,1,0,0|2,0,0]=4 253 B6R1.6 NCC1CCC1 SBB108847 [1,0,0,1,0,0|2,0,0]=4 254 B8R1.2 BrCC1CCCCO1 SBB054944 [0,1,0,1,0,0|2,0,0]=4 255 B8R1.2 BrCC1CCCNC1 SBB019055 [0,1,0,1,0,0|2,0,0]=4 256 B8R1.2 C1(CCl)OCCCO1 SBB085954 [0,1,0,1,0,0|2,0,0]=4 257 B8R1.2 ClCC1CCCCO1 SBB040653 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.2 ClCC1COCCO1 SBB046611 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.2 N1CCCCC1CC SBB004312 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.2 NCC1CCCCN1 SBB069774 [0,1,0,1,0,0|2,0,0]=4 261 B8R1.2 NCC1CCCCO1 SBB085471 [0,1,0,1,0,0|2,0,0]=4 262 B8R1.2 NCC1CCCOC1 SBB013821 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.2 NCC1COCCO1 SBB014104 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.2 OCC1CCCCC1 SBB061328 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.2 OCC1CCCCN1 SBB058544 [0,1,0,1,0,0|1,0,0]=3 266 B8R1.2 OCC1CCCCO1 SBB008943 [0,1,0,1,0,0|1,0,0]=3 267 B8R1.2 OCC1CCCOC1 SBB014200 [0,1,0,1,0,0|1,0,0]=3 268 B8R1.2 OCC1CCNCC1 SBB054833 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.5 CC1CCCNC1C SBB027556 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.5 CC1CNCCC1O SBB300760 [0,1,0,1,0,0|1,0,0]=3 271 B8R1.5 O[C@@H]1CCCC[C@H]1O SBB007679 [0,1,0,1,0,0|1,0,0]=3 272 B8R1.5 O[C@H]1CCCC[C@H]1O SBB007678 [0,1,0,1,0,0|1,0,0]=3 273 B8R1.8 BrCCC1OCCO1 SBB070738 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.8 CCCC1OCCO1 SBB060981 [0,1,0,1,0,0|2,0,0]=4 275 B8R1.8 CCCC1OCCS1 SBB056724 [0,1,0,1,0,0|2,0,0]=4 276 B8R1.8 COC[C@@H]1CCCN1 SBB006442 [0,1,0,1,0,0|1,0,0]=3 277 B8R1.8 ClCCN1CCCC1 SBB070714 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.8 N#CCC1CCCO1 SBB018702 [0,1,0,1,0,0|2,0,0]=4 279 B8R1.8 NCCN1CCCC1 SBB004304 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.8 OCCC1CCCC1 SBB008459 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.8 OCCN1CCCC1 SBB060257 [0,1,0,1,0,0|1,0,0]=3 282 B8R1.8 OCCN1CCOC1 SBB008304 [0,1,0,1,0,0|0,0,0]=2 283 B8R1.11 CN1CCCC1CO SBB108833 [0,1,0,1,0,0|1,0,0]=3 284 B8R1.22 CN1CCCNCC1 SBB056191 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.22 O=C1CCNCCN1 SBB056241 [0,1,0,1,0,0|1,0,1]=4 286 B8R1.22 OC1CCCCCC1 SBB061138 [0,1,0,1,0,0|2,0,0]=4 287 B8R1.36 CCCNCC1CC1 SBB042821 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.49 C1CCCNCCC1 SBB059854 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.1 OCC1CC(O)CN1 SBB014445 [0,1,0,1,0,0|0,0,0]=2 290 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.3 CC1CCC(O)CC1 SBB060479 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.3 N1CC(C)NCC1C SBB004303 [0,1,0,1,0,0|2,0,0]=4 293 B8R1.3 N[C@H]1CC[C@H](O)CC1 SBB005825 [0,1,0,1,0,0|2,0,0]=4 294 B8R1.3 OC1CCC(Cl)CC1 SBB007863 [0,1,0,1,0,0|2,0,0]=4 295 B8R1.3 OC1CSC(O)CS1 SBB057060 [0,1,0,1,0,0|1,1,0]=4 296 B8R1.52 CC1(CBr)OCCO1 SBB047493 [0,1,0,1,0,0|2,0,0]=4 297 B8R1.52 CC1(CN)CCCO1 SBB015007 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.4 CC1CCCC(O)C1 SBB061310 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.4 CC1CNCC(C)C1 SBB027312 [0,1,0,1,0,0|2,0,0]=4 300 B8R1.4 CC1CNCC(C)O1 SBB040955 [0,1,0,1,0,0|1,0,0]=3 301 B8R1.4 CN1CCCC(N)C1 SBB047756 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.4 C[C@H]1CNC[C@@H](C)N1 SBB056139 [0,1,0,1,0,0|2,0,0]=4 303 B8R1.7 CC(N)C1CCCO1 SBB020137 [0,1,0,1,0,0|2,0,0]=4 304 B8R1.7 O=C(O)C1CCCO1 SBB004298 [0,1,0,1,0,0|1,0,1]=4 305 B8R1.7 O=C(O)[C@H]1CCCN1 SBB006712 [0,1,0,1,0,0|1,0,1]=4 306 B8R1.7 OC(=O)C1SCCN1 SBB027340 [0,1,0,1,0,0|0,1,1]=4 307 B8R1.35 FC(F)CNC1CC1 SBB046644 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.72 CC1(C)CCCNC1 SBB027276 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.72 CC1(O)CCCCC1 SBB061165 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.72 FC1(F)CCCNC1 SBB087232 [0,1,0,1,0,0|2,0,0]=4 311 B8R2.34 C1CC2CC1CN2 SBB013021 [0,0,0,2,0,0|2,0,0]=4 312 B8R2.34 C1OC2CNC1C2 SBB017544 [0,0,0,2,0,0|1,0,0]=3 313 B8R2.25 C1CCC2OC2C1 SBB061377 [0,0,0,2,0,0|2,0,0]=4