0 B6R0.6 BrCCNCCBr RT17682 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.6 BrCCOCCBr HL2958 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 C#CCCCCC HL0285 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C#CCCCCO LQ1526 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.6 C=CCCCCCl LQ1525 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.6 CCCC#CCO XJ1342 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.6 CCCCCC#N HL0286 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 CCCCCCCl HL1956 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.6 CCCCCCI JZ4066 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.6 CCCCCCO XJ0385 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.6 CCCCCCS XJ0387 [0,0,0,0,0,0|2,1,0]=3 11 B6R0.6 CCCCCNC LT5645 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.6 CCCCC[Mg]Cl JZ2964 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.6 CCCCOCC HL0289 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.6 CCCCOCCl LT4489 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.6 CCCCSCC JZ4067 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.6 CCCNCCC RT1163 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.6 CCCSSCC LT5405 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.6 CCC\C=C/CO LQ1528 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.6 CCNCCCN HL4191 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.6 CCOCCCCl XJ5236 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.6 CC\C=C/CCO LT4581 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.6 CC\C=C\CCC HL0123 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.6 C\C=C\CCCO XJ3000 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.6 ClCCCCCI XJ5888 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.6 ClCCNCCCl LQ1470 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.6 ClCCOCCI YH66175 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.6 ICCCCCI HL0288 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.6 N#CCCCCBr HL2959 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.6 NCCCCCBr RT0436 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.6 NCCCCCN LQ0829 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.6 NCCCCCO HL2296 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.6 NCCNCCN XJ0391 [0,0,0,0,0,0|2,0,0]=2 33 B6R0.6 NCCNCCO JZ0125 [0,0,0,0,0,0|1,0,0]=1 34 B6R0.6 NCCOCCO LQ1534 [0,0,0,0,0,0|2,0,0]=2 35 B6R0.6 O=CCCCCO YH66094 [0,0,0,0,0,0|1,0,2]=3 36 B6R0.6 OCCCCCCl JZ2653 [0,0,0,0,0,0|2,0,0]=2 37 B6R0.6 OCCNCCO LT7673 [0,0,0,0,0,0|0,0,0]=0 38 B6R0.6 OCCOCCCl JZ0962 [0,0,0,0,0,0|2,0,0]=2 39 B6R0.6 OCCSCCO XJ0395 [0,0,0,0,0,0|1,0,0]=1 40 B6R0.6 SCCSCCS JZ2349 [0,0,0,0,0,0|1,2,0]=3 41 B5R0.2 BrCCCCBr RT17667 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.2 C#CCCCBr RT0013 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.2 C#CCCCC LQ1326 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 C#CCCCO XJ2908 [1,0,0,0,0,0|1,0,1]=3 45 B5R0.2 C#CCCCS RT16516 [1,0,0,0,0,0|1,1,1]=4 46 B5R0.2 C=CCCCBr XJ1587 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.2 CCC#CCBr RT0546 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 CCCCC#N LL0427 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 CCCCCI HL0274 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.2 CCCCNC LL0434 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.2 CCCCSC HL0277 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.2 CCCC[SnH]=O LQ5214 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.2 CCCOCCl JZ2364 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.2 CCCSCC LT5403 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.2 CCNCCO LL0439 [1,0,0,0,0,0|0,0,0]=1 56 B5R0.2 CCNNCC LQ3339 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.2 CCOCCBr HL0120 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.2 CCOCCCl HL0279 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.2 CCOCCO LL0444 [1,0,0,0,0,0|1,0,0]=2 60 B5R0.2 CC\C=C\CC JZ3712 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.2 COCCCCl LQ4914 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.2 COCCCN LT2986 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.2 CSCCCN XJ2622 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.2 CSCCCO XJ0883 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.2 C\C=C\CCC XJ2577 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.2 ClCCCCI XJ3625 [1,0,0,0,0,0|2,0,0]=3 67 B5R0.2 ClCCOCCl HL0847 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.2 ICCCCI HL0276 [1,0,0,0,0,0|2,0,0]=3 69 B5R0.2 N#CCCCBr XJ2830 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.2 NCCCCCl JZ1120 [1,0,0,0,0,0|2,0,0]=3 71 B5R0.2 NCCCCN LL0428 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.2 NCCCCO XJ3835 [1,0,0,0,0,0|1,0,0]=2 73 B5R0.2 NOCCCS RT0541 [1,0,0,0,0,0|2,1,0]=4 74 B5R0.2 OCC#CCCl JZ3715 [1,0,0,0,0,0|1,0,2]=4 75 B5R0.2 OCCCCCl LQ1521 [1,0,0,0,0,0|1,0,0]=2 76 B5R0.2 OCCCCF RT1165 [1,0,0,0,0,0|1,0,0]=2 77 B5R0.2 OCCOCCl RT1169 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.2 OC\C=C\CBr RT1108 [1,0,0,0,0,0|1,0,2]=4 79 B7R0.1 BrCC\C=C\CCBr RT0177 [0,1,0,0,0,0|3,0,0]=4 80 B7R0.1 C#CCCCCCC LQ1243 [0,1,0,0,0,0|3,0,0]=4 81 B7R0.1 C#CCCCCCO RT14015 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.1 CCCC#CCCC JZ1797 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.1 CCCCC#CCO HL0563 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.1 CCCCCCC#N LQ1245 [0,1,0,0,0,0|3,0,0]=4 85 B7R0.1 CCCCCCCC XJ0405 [0,1,0,0,0,0|3,0,0]=4 86 B7R0.1 CCCCCCCCl LQ1244 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.1 CCCCCCCN XJ0408 [0,1,0,0,0,0|3,0,0]=4 88 B7R0.1 CCCCCCCS HL0937 [0,1,0,0,0,0|2,1,0]=4 89 B7R0.1 CCCCCC[Mg]Cl LQ5137 [0,1,0,0,0,0|3,0,0]=4 90 B7R0.1 CCCCCNCC JZ5218 [0,1,0,0,0,0|3,0,0]=4 91 B7R0.1 CCCCNCCC LQ4205 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.1 CCCCOCCO XJ0413 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.1 CCCSSCCC LQ1250 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.1 CCC\C=C/CCC LQ3284 [0,1,0,0,0,0|3,0,0]=4 95 B7R0.1 CCC\C=C/CCO JZ4690 [0,1,0,0,0,0|2,0,0]=3 96 B7R0.1 CCOCCCCCl XJ5238 [0,1,0,0,0,0|3,0,0]=4 97 B7R0.1 CCOCCCCO LT2386 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.1 CC\C=C/CCCO XJ3057 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.1 COCCOCCCl YH05405 [0,1,0,0,0,0|2,0,0]=3 100 B7R0.1 COCCOCCO XJ0414 [0,1,0,0,0,0|1,0,0]=2 101 B7R0.1 ClCCCCCCI XJ5164 [0,1,0,0,0,0|3,0,0]=4 102 B7R0.1 FCCCCCCBr XJ0714 [0,1,0,0,0,0|3,0,0]=4 103 B7R0.1 ICCCCCCI LQ1246 [0,1,0,0,0,0|3,0,0]=4 104 B7R0.1 N#CCCCCCN XJ2152 [0,1,0,0,0,0|3,0,0]=4 105 B7R0.1 NCCCCCCBr RT0122 [0,1,0,0,0,0|3,0,0]=4 106 B7R0.1 NCCCCCCN RT0396 [0,1,0,0,0,0|3,0,0]=4 107 B7R0.1 NCCCNCCBr YH48383 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.1 NCCCNCCN LQ3660 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.1 NCCCNCCO XJ2715 [0,1,0,0,0,0|1,0,0]=2 110 B7R0.1 NCCCNCCS RT17267 [0,1,0,0,0,0|1,1,0]=3 111 B7R0.1 NCCSSCCN LQ0038 [0,1,0,0,0,0|3,0,0]=4 112 B7R0.1 NCCSSCCN LT4716 [0,1,0,0,0,0|3,0,0]=4 113 B7R0.1 OCCCCCCCl LT3732 [0,1,0,0,0,0|2,0,0]=3 114 B7R0.1 OCCCCCCS HL0924 [0,1,0,0,0,0|1,1,0]=3 115 B7R0.1 OCCCNCCCl RT0430 [0,1,0,0,0,0|1,0,0]=2 116 B7R0.1 OCCSSCCO LQ1989 [0,1,0,0,0,0|1,0,0]=2 117 B7R0.1 OCC\C=C\CCO RT0115 [0,1,0,0,0,0|1,0,0]=2 118 B7R0.1 SCCCCCCS JZ4451 [0,1,0,0,0,0|1,2,0]=4 119 B7R0.1 [N-]=[N+]=NCCCCO RT18776 [0,1,0,0,0,0|3,0,0]=4 120 B7R0.3 C#CCOC(C)CO JZ2424 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.3 CCCCC(C)CC HL0067 [0,1,0,0,0,0|3,0,0]=4 122 B7R0.3 CCCCC(O)CO RT17609 [0,1,0,0,0,0|2,0,0]=3 123 B7R0.3 COCO[C@@H](C)CO CJ3006 [0,1,0,0,0,0|3,0,0]=4 124 B7R0.3 COCO[C@H](C)CO CJ2789 [0,1,0,0,0,0|3,0,0]=4 125 B7R0.4 CC(C)CCCCO RT0516 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.4 CCCCCC(C)C HL0115 [0,1,0,0,0,0|3,0,0]=4 127 B7R0.4 CCCCCC(C)N JZ2985 [0,1,0,0,0,0|3,0,0]=4 128 B7R0.4 CCCCCC(C)N XJ0515 [0,1,0,0,0,0|3,0,0]=4 129 B7R0.4 CCCCC[C@H](C)O JZ2825 [0,1,0,0,0,0|2,0,0]=3 130 B7R0.4 CCCNCC(C)O RT1462 [0,1,0,0,0,0|1,0,0]=2 131 B7R0.4 O=C(O)CCCCBr JZ0370 [0,1,0,0,0,0|2,0,1]=4 132 B7R0.4 O=C(O)CNCCO RT16423 [0,1,0,0,0,0|0,0,1]=2 133 B7R0.4 O=C([O-])CCCCO YH65793 [0,1,0,0,0,0|1,0,2]=4 134 B7R0.7 CC(CCBr)CCBr XJ2711 [0,1,0,0,0,0|3,0,0]=4 135 B7R0.7 CC(CCO)CCO XJ2710 [0,1,0,0,0,0|1,0,0]=2 136 B7R0.7 CCCC(Br)CCC HL0633 [0,1,0,0,0,0|3,0,0]=4 137 B7R0.7 CCCN(C)CCC HL2547 [0,1,0,0,0,0|2,0,0]=3 138 B7R0.7 CCCS(=O)CCC LQ2622 [0,1,0,0,0,0|3,0,0]=4 139 B7R0.7 CN(CCCl)CCCl LQ0036 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.7 CN(CCO)CCO RT1442 [0,1,0,0,0,0|0,0,0]=1 141 B7R0.7 CN(CCO)CCO XJ0326 [0,1,0,0,0,0|0,0,0]=1 142 B7R0.7 O=C(CCBr)CCBr YH33973 [0,1,0,0,0,0|3,0,0]=4 143 B7R0.7 O=C(CCCl)CCCl JZ2373 [0,1,0,0,0,0|3,0,0]=4 144 B7R1.1 BrCC1CCCO1 JZ4457 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.1 CCC1=NCCO1 XJ4890 [0,0,0,1,0,0|1,0,2]=4 146 B7R1.1 ClCC1=NCCN1 LT2285 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.1 N#C[C@@H]1CCCN1 XJ6095 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.1 NCC1CCCN1 YH08114 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.1 O=CC1CCCO1 LX2512 [0,0,0,1,0,0|1,0,2]=4 150 B7R1.1 OCC1CCCN1 RT14572 [0,0,0,1,0,0|1,0,0]=2 151 B7R1.1 OCC1CCCO1 YH98620 [0,0,0,1,0,0|1,0,0]=2 152 B7R1.1 OC[C@@H]1CCCN1 LT7573 [0,0,0,1,0,0|1,0,0]=2 153 B7R1.1 OC[C@@H]1CCCN1 LT7642 [0,0,0,1,0,0|1,0,0]=2 154 B7R1.1 OC[C@@H]1CCNC1 LL1852 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.1 OC[C@H]1CCNC1 LL1853 [0,0,0,1,0,0|3,0,0]=4 156 B7R1.3 CC1CCCCC1 LQ0421 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.3 CC1CCCCN1 LQ0427 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.3 CC1COCCN1 YH00913 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.3 C[C@@H]1CCCCN1 YH66554 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.3 C[C@@H]1COCCN1 XJ6283 [0,0,0,1,0,0|3,0,0]=4 161 B7R1.3 C[C@@H]1COCCN1 YH65950 [0,0,0,1,0,0|3,0,0]=4 162 B7R1.3 C[C@H]1CCCCN1 JZ2253 [0,0,0,1,0,0|3,0,0]=4 163 B7R1.3 C[C@H]1CCCNC1 HL0232 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.3 C[C@H]1CNCCN1 HL4115 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.3 C[C@H]1CNCCN1 YH16978 [0,0,0,1,0,0|2,0,0]=3 166 B7R1.3 IC1CCCCC1 HL0234 [0,0,0,1,0,0|3,0,0]=4 167 B7R1.3 NC1CCCCC1 JZ0026 [0,0,0,1,0,0|3,0,0]=4 168 B7R1.3 NC1CCCCC1 LT4681 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.3 NC1CCCCC1 RT1317 [0,0,0,1,0,0|3,0,0]=4 170 B7R1.3 NC1CCCNC1 YH06108 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.3 NC1CCCNC1 YH33541 [0,0,0,1,0,0|2,0,0]=3 172 B7R1.3 N[C@@H]1CCCNC1 YH55144 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.3 N[C@H]1CCCNC1 HL4050 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.3 N[C@H]1CCCNC1 LT0322 [0,0,0,1,0,0|2,0,0]=3 175 B7R1.3 O=C1CCCNC1 YH04125 [0,0,0,1,0,0|1,0,2]=4 176 B7R1.3 O=C1CCCNC1 YH10216 [0,0,0,1,0,0|1,0,2]=4 177 B7R1.3 O=C1CNCCN1 XJ2918 [0,0,0,1,0,0|1,0,2]=4 178 B7R1.3 O=C1COCCO1 HL2425 [0,0,0,1,0,0|1,0,2]=4 179 B7R1.3 OC1C=CCCC1 YH66647 [0,0,0,1,0,0|2,0,1]=4 180 B7R1.3 OC1CCCCN1 LQ5146 [0,0,0,1,0,0|2,0,0]=3 181 B7R1.3 OC1CCCNC1 HL4242 [0,0,0,1,0,0|1,0,0]=2 182 B7R1.3 OC1CCCNC1 LT6809 [0,0,0,1,0,0|1,0,0]=2 183 B7R1.3 OC1CCCOC1 RT0503 [0,0,0,1,0,0|2,0,0]=3 184 B7R1.3 OC1CCCSC1 RT19790 [0,0,0,1,0,0|2,0,0]=3 185 B7R1.3 OC1CCNCC1 RT17686 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.3 OC1CCOCC1 HL2134 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.3 OC1CCOCC1 YH45458 [0,0,0,1,0,0|3,0,0]=4 188 B7R1.3 OC1COCOC1 LL1585 [0,0,0,1,0,0|3,0,0]=4 189 B7R1.3 ON1CCCCC1 LT0352 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.3 O[C@@H]1CCCNC1 LT0319 [0,0,0,1,0,0|1,0,0]=2 191 B7R1.3 O[C@H]1CCCNC1 HL4109 [0,0,0,1,0,0|1,0,0]=2 192 B7R1.3 [C@@H]1(C)CNCCN1 LT6105 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.4 CC1CCCC1N RT0500 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.4 CC1CCCC1O XJ4791 [0,0,0,1,0,0|2,0,0]=3 195 B7R1.4 NC1CCCC1O YH93843 [0,0,0,1,0,0|2,0,0]=3 196 B7R1.4 N[C@@H]1CCC[C@H]1O LT5725 [0,0,0,1,0,0|2,0,0]=3 197 B7R1.4 N[C@@H]1CCC[C@H]1O RT0409 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.4 N[C@@H]1CCC[C@H]1O YH54046 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.4 N[C@@H]1COC[C@@H]1O RT4250 [0,0,0,1,0,0|2,0,0]=3 200 B7R1.4 N[C@H]1COC[C@H]1O RT4251 [0,0,0,1,0,0|2,0,0]=3 201 B7R1.6 ClCCN1CCC1 YH26565 [0,0,0,1,0,0|2,0,0]=3 202 B7R1.7 C=CCCC1CO1 YH22163 [0,0,0,1,0,0|2,0,1]=4 203 B7R1.7 C=CCC[C@H]1CO1 YH66356 [0,0,0,1,0,0|2,0,1]=4 204 B7R1.24 C1CCCCCC1 LL0631 [0,0,0,1,0,0|3,0,0]=4 205 B7R1.24 C1CCCNCC1 XJ0396 [0,0,0,1,0,0|2,0,0]=3 206 B7R1.24 C1CCCOCC1 LQ1074 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.24 C1CCCSCC1 RT17551 [0,0,0,1,0,0|2,1,0]=4 208 B7R1.24 C1CNCCNC1 JZ0121 [0,0,0,1,0,0|2,0,0]=3 209 B4R0.2 C#CCCC HL0250 [2,0,0,0,0,0|1,0,1]=4 210 B4R0.2 C#CCCO LT6746 [2,0,0,0,0,0|0,0,2]=4 211 B4R0.2 C#CCNC RT0490 [2,0,0,0,0,0|1,0,1]=4 212 B4R0.2 CC#CCO XJ1336 [2,0,0,0,0,0|0,0,2]=4 213 B4R0.2 CCCCN LQ2553 [2,0,0,0,0,0|1,0,0]=3 214 B4R0.2 CCCCS LL0387 [2,0,0,0,0,0|0,1,0]=3 215 B4R0.2 CCCC[O-] HL2476 [2,0,0,0,0,0|0,0,1]=3 216 B4R0.2 CCCC[O-] LQ4485 [2,0,0,0,0,0|0,0,1]=3 217 B4R0.2 CCC[Mg]Br LQ1517 [2,0,0,0,0,0|2,0,0]=4 218 B4R0.2 CCC[Mg]Cl XJ2093 [2,0,0,0,0,0|2,0,0]=4 219 B4R0.2 CCC[Zn-]Br HL3580 [2,0,0,0,0,0|2,0,0]=4 220 B4R0.2 CCOCC LL1197 [2,0,0,0,0,0|1,0,0]=3 221 B4R0.2 CCOCC XJ5008 [2,0,0,0,0,0|1,0,0]=3 222 B4R0.2 CCSSC LQ4240 [2,0,0,0,0,0|2,0,0]=4 223 B4R0.2 CC[AlH3+]CC LL0219 [2,0,0,0,0,0|1,0,0]=3 224 B4R0.2 CC[N-]CC RT4825 [2,0,0,0,0,0|0,0,1]=3 225 B4R0.2 CC[NH2+]CC XJ6105 [2,0,0,0,0,0|0,0,1]=3 226 B4R0.2 CC[Se]CC RT0534 [2,0,0,0,0,0|1,0,0]=3 227 B4R0.2 CNCCCl RT4724 [2,0,0,0,0,0|1,0,0]=3 228 B4R0.2 CNCCCl YH54353 [2,0,0,0,0,0|1,0,0]=3 229 B4R0.2 CNCCN LL0389 [2,0,0,0,0,0|1,0,0]=3 230 B4R0.2 COCCN LL0392 [2,0,0,0,0,0|2,0,0]=4 231 B4R0.2 COCCO XJ3502 [2,0,0,0,0,0|1,0,0]=3 232 B4R0.2 CSCCO JZ2661 [2,0,0,0,0,0|1,0,0]=3 233 B4R0.2 C\C=C/CO YH00287 [2,0,0,0,0,0|0,0,2]=4 234 B4R0.2 C\C=C\CC XJ1213 [2,0,0,0,0,0|1,0,1]=4 235 B4R0.2 ClCCCI JZ3062 [2,0,0,0,0,0|2,0,0]=4 236 B4R0.2 FCCCBr SY0223 [2,0,0,0,0,0|2,0,0]=4 237 B4R0.2 N#CCCO RT1105 [2,0,0,0,0,0|1,0,1]=4 238 B4R0.2 NCCCBr HL2839 [2,0,0,0,0,0|2,0,0]=4 239 B4R0.2 NCCCCl LT6768 [2,0,0,0,0,0|2,0,0]=4 240 B4R0.2 NNCCO LT2306 [2,0,0,0,0,0|1,0,0]=3 241 B4R0.2 OCCCBr HL0249 [2,0,0,0,0,0|1,0,0]=3 242 B4R0.2 OCCCI HL0254 [2,0,0,0,0,0|1,0,0]=3 243 B4R0.2 OCCCO XJ0879 [2,0,0,0,0,0|0,0,0]=2 244 B4R0.2 SCCCS LL0388 [2,0,0,0,0,0|0,2,0]=4 245 B6R0.1 BrCCC(Br)CBr LQ4943 [1,1,0,0,0,0|2,0,0]=4 246 B6R0.1 C=CC(N)CCO YH91593 [1,1,0,0,0,0|1,0,1]=4 247 B6R0.1 CCC(C)CCO HL0061 [1,1,0,0,0,0|1,0,0]=3 248 B6R0.1 CCC(C)CCO LL2797 [1,1,0,0,0,0|1,0,0]=3 249 B6R0.1 CCC(C)CCO LQ4221 [1,1,0,0,0,0|1,0,0]=3 250 B6R0.1 CCCC(=O)CC HL0062 [1,1,0,0,0,0|2,0,0]=4 251 B6R0.1 CCCC(Br)CBr JZ2283 [1,1,0,0,0,0|2,0,0]=4 252 B6R0.1 CCCC(C)CC HL0060 [1,1,0,0,0,0|2,0,0]=4 253 B6R0.1 CNCC(O)CO LT2424 [1,1,0,0,0,0|2,0,0]=4 254 B6R0.1 COCC(O)CO LT2370 [1,1,0,0,0,0|2,0,0]=4 255 B6R0.1 COC[C@@H](N)CO LX2569 [1,1,0,0,0,0|2,0,0]=4 256 B6R0.1 N[C@H](CS)CCS RT1463 [1,1,0,0,0,0|0,2,0]=4 257 B6R0.1 O=C(CBr)NCO RT1446 [1,1,0,0,0,0|1,0,1]=4 258 B6R0.1 O=C(CCl)NCO HL2402 [1,1,0,0,0,0|1,0,1]=4 259 B6R0.1 OCC[C@@H](O)CO YH14636 [1,1,0,0,0,0|0,0,0]=2 260 B6R0.1 OCC[C@H](O)CO LQ5089 [1,1,0,0,0,0|0,0,0]=2 261 B6R0.4 CC(=O)NCCCl JZ3076 [1,1,0,0,0,0|1,0,1]=4 262 B6R0.4 CC(=O)NCCN HL0561 [1,1,0,0,0,0|1,0,1]=4 263 B6R0.4 CC(Br)CCCBr HL0239 [1,1,0,0,0,0|2,0,0]=4 264 B6R0.4 CC(C)CCCBr HL0240 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.4 CC(C)OCCO LQ0441 [1,1,0,0,0,0|1,0,0]=3 266 B6R0.4 CC(N)CCCO RT0123 [1,1,0,0,0,0|1,0,0]=3 267 B6R0.4 CCC#CC(C)O LT2389 [1,1,0,0,0,0|1,0,1]=4 268 B6R0.4 CCCCC(C)Br HL2516 [1,1,0,0,0,0|2,0,0]=4 269 B6R0.4 CCCNC(C)=O JZ2722 [1,1,0,0,0,0|1,0,1]=4 270 B6R0.4 CCCSC(C)C HL2844 [1,1,0,0,0,0|2,0,0]=4 271 B6R0.4 CN(C)CCCO LT2968 [1,1,0,0,0,0|2,0,0]=4 272 B6R0.4 COCCC(C)O LT2442 [1,1,0,0,0,0|2,0,0]=4 273 B6R0.4 NCCCC(=O)O CJ3094 [1,1,0,0,0,0|1,0,1]=4 274 B6R0.4 O=C(O)CCCBr JZ2086 [1,1,0,0,0,0|1,0,1]=4 275 B6R0.4 O=C(O)CCCS RT19786 [1,1,0,0,0,0|0,1,1]=4 276 B6R0.4 O=C([O-])CNCO JZ1760 [1,1,0,0,0,0|0,0,2]=4 277 B6R0.4 O=[N+]([O-])NCCO RT0372 [1,1,0,0,0,0|1,0,1]=4 278 B8R0.1 CCCCN(C)CCN XJ4506 [0,2,0,0,0,0|2,0,0]=4 279 B8R0.4 C#CCCCCCCO RT0526 [0,2,0,0,0,0|2,0,0]=4 280 B8R0.4 CCCCC#CCCO JZ4975 [0,2,0,0,0,0|2,0,0]=4 281 B8R0.4 CCCCCC#CCO XJ4574 [0,2,0,0,0,0|2,0,0]=4 282 B8R0.4 CCCCCSCCO JZ5724 [0,2,0,0,0,0|2,0,0]=4 283 B8R0.4 COCCNCCOC XJ0426 [0,2,0,0,0,0|0,0,0]=2 284 B8R0.4 N#CCCNCCC#N XJ0425 [0,2,0,0,0,0|2,0,0]=4 285 B8R0.4 NCCCCCCCO YH43193 [0,2,0,0,0,0|2,0,0]=4 286 B8R0.4 NCCCCNCCO JZ5587 [0,2,0,0,0,0|1,0,0]=3 287 B8R0.4 NCCCNCCCN LQ0039 [0,2,0,0,0,0|2,0,0]=4 288 B8R0.4 OCCCNCCCO YH65471 [0,2,0,0,0,0|0,0,0]=2 289 B8R0.6 C#CC(O)CCCCC LQ1462 [0,2,0,0,0,0|2,0,0]=4 290 B8R0.6 C=CC(O)CCCCC HL2529 [0,2,0,0,0,0|2,0,0]=4 291 B8R0.6 CCCCCC(O)CC HL0071 [0,2,0,0,0,0|2,0,0]=4 292 B8R0.6 COC(=O)CCCCO RT18638 [0,2,0,0,0,0|1,0,1]=4 293 B8R0.6 OCCCCC(O)CO HL1323 [0,2,0,0,0,0|1,0,0]=3 294 B8R0.7 CC(C)CCCCCO RT1226 [0,2,0,0,0,0|2,0,0]=4 295 B8R0.7 CCCCCCC(=O)O XJ0376 [0,2,0,0,0,0|2,0,0]=4 296 B8R0.7 CCCCCCC(C)O XJ2646 [0,2,0,0,0,0|2,0,0]=4 297 B8R0.7 CCCCCCC(C)O XJ2647 [0,2,0,0,0,0|2,0,0]=4 298 B8R0.7 CCCCCC[C@H](C)O XJ6892 [0,2,0,0,0,0|2,0,0]=4 299 B8R0.7 CCCCOCC(C)O JZ5031 [0,2,0,0,0,0|2,0,0]=4 300 B8R0.7 CN(C)CCOCCO LQ1936 [0,2,0,0,0,0|2,0,0]=4 301 B8R0.7 NCCCCCC(=O)O JZ1196 [0,2,0,0,0,0|2,0,0]=4 302 B8R0.7 NCCCCCC(=O)O RT0574 [0,2,0,0,0,0|2,0,0]=4 303 B8R0.7 O=C(O)CCCCCBr HL2738 [0,2,0,0,0,0|2,0,0]=4 304 B8R0.7 O=C(O)CCCCCCl LT3590 [0,2,0,0,0,0|2,0,0]=4 305 B8R0.7 O=C(O)CCCCCO JZ4450 [0,2,0,0,0,0|1,0,0]=3 306 B8R0.3 CCCC(O)C(O)CO HL4890 [0,2,0,0,0,0|2,0,0]=4 307 B8R0.11 CCCCC(CC)CO XJ0289 [0,2,0,0,0,0|2,0,0]=4 308 B8R0.11 CCCCC(CO)CO JZ2065 [0,2,0,0,0,0|2,0,0]=4 309 B8R0.19 CC(CO)OC(C)CO RT0004 [0,2,0,0,0,0|1,0,0]=3 310 B8R0.19 CCC(C)NC(C)CC HL0224 [0,2,0,0,0,0|2,0,0]=4 311 B8R0.19 CCC(C)NC(C)CC XJ0368 [0,2,0,0,0,0|2,0,0]=4 312 B8R0.28 CC(O)CCCC(=O)O RT0557 [0,2,0,0,0,0|1,0,1]=4 313 B8R0.28 CC(O)CNCC(C)O XJ0369 [0,2,0,0,0,0|0,0,0]=2 314 B8R0.28 CC(O)COCC(C)O XJ0370 [0,2,0,0,0,0|1,0,0]=3 315 B8R0.28 O=C(O)CNCC(=O)O HL1558 [0,2,0,0,0,0|0,0,2]=4 316 B8R0.22 CCCN(CCC)N=O RT1151 [0,2,0,0,0,0|2,0,0]=4 317 B8R0.22 CCN(CCO)CCO XJ0542 [0,2,0,0,0,0|0,0,0]=2 318 B8R0.22 O=NN(CCO)CCO RT4843 [0,2,0,0,0,0|0,0,0]=2 319 B8R0.30 C[N+](C)(CCO)CCF YH65357 [0,2,0,0,0,0|1,0,1]=4 320 B6R1.1 C1=CCCCC1 LL0447 [1,0,0,1,0,0|2,0,0]=4 321 B6R1.1 C1=CCOCC1 RT15029 [1,0,0,1,0,0|1,0,1]=4 322 B6R1.1 C1=COCCC1 JZ1390 [1,0,0,1,0,0|1,0,1]=4 323 B6R1.1 C1CC[NH2+]CC1 HL2776 [1,0,0,1,0,0|1,0,1]=4 324 B6R1.1 C1CNCCN1 JZ0122 [1,0,0,1,0,0|1,0,0]=3 325 B6R1.1 C1CNCCN1 JZ2867 [1,0,0,1,0,0|1,0,0]=3 326 B6R1.1 C1CNCCN1 LQ3756 [1,0,0,1,0,0|1,0,0]=3 327 B6R1.1 C1COCCN1 YH20292 [1,0,0,1,0,0|0,0,0]=2 328 B6R1.1 C1COCCO1 XJ5344 [1,0,0,1,0,0|1,0,0]=3 329 B6R1.1 C1COCCO1 XJ5710 [1,0,0,1,0,0|1,0,0]=3 330 B6R1.1 C1CSCCS1 XJ0886 [1,0,0,1,0,0|1,1,0]=4 331 B6R1.1 N1CCNCC1 HL1555 [1,0,0,1,0,0|1,0,0]=3 332 B6R1.2 BrC1CCCC1 LL0590 [1,0,0,1,0,0|2,0,0]=4 333 B6R1.2 CC1=NCCN1 LL0953 [1,0,0,1,0,0|1,0,1]=4 334 B6R1.2 CC1=NCCO1 XJ1609 [1,0,0,1,0,0|0,0,2]=4 335 B6R1.2 CC1CCCC1 LL0238 [1,0,0,1,0,0|2,0,0]=4 336 B6R1.2 CC1CCCN1 XJ1351 [1,0,0,1,0,0|1,0,0]=3 337 B6R1.2 CC1CCCO1 YH65006 [1,0,0,1,0,0|1,0,0]=3 338 B6R1.2 CC1CCCS1 XJ1945 [1,0,0,1,0,0|1,1,0]=4 339 B6R1.2 CC1CCNC1 YH66261 [1,0,0,1,0,0|1,0,0]=3 340 B6R1.2 CC1SCCS1 JZ2801 [1,0,0,1,0,0|1,1,0]=4 341 B6R1.2 C[C@@H]1CCCN1 JZ0867 [1,0,0,1,0,0|1,0,0]=3 342 B6R1.2 C[C@H]1CCCN1 HL3677 [1,0,0,1,0,0|1,0,0]=3 343 B6R1.2 C[C@H]1CCNC1 YH66267 [1,0,0,1,0,0|1,0,0]=3 344 B6R1.2 ClC1CCCC1 LT4693 [1,0,0,1,0,0|2,0,0]=4 345 B6R1.2 NC1CCCC1 LT4694 [1,0,0,1,0,0|2,0,0]=4 346 B6R1.2 NC1CCNC1 LL1803 [1,0,0,1,0,0|1,0,0]=3 347 B6R1.2 NC1CCNC1 YH29002 [1,0,0,1,0,0|1,0,0]=3 348 B6R1.2 N[C@@H]1CCNC1 JZ0225 [1,0,0,1,0,0|1,0,0]=3 349 B6R1.2 N[C@@H]1CCOC1 CJ2199 [1,0,0,1,0,0|2,0,0]=4 350 B6R1.2 N[C@H]1CCNC1 JZ0221 [1,0,0,1,0,0|1,0,0]=3 351 B6R1.2 N[C@H]1CCNC1 LT6128 [1,0,0,1,0,0|1,0,0]=3 352 B6R1.2 N[C@H]1CCOC1 XJ6762 [1,0,0,1,0,0|2,0,0]=4 353 B6R1.2 O=C1CCCO1 YH98377 [1,0,0,1,0,0|0,0,2]=4 354 B6R1.2 O=C1CCNC1 HL2616 [1,0,0,1,0,0|0,0,2]=4 355 B6R1.2 O=C1CCNC1 YH98366 [1,0,0,1,0,0|0,0,2]=4 356 B6R1.2 O=C1NCCO1 LT6610 [1,0,0,1,0,0|0,0,2]=4 357 B6R1.2 OC1CC=CC1 XJ4083 [1,0,0,1,0,0|1,0,1]=4 358 B6R1.2 OC1CCCO1 RT17572 [1,0,0,1,0,0|0,0,0]=2 359 B6R1.2 OC1CCNC1 HL4806 [1,0,0,1,0,0|0,0,0]=2 360 B6R1.2 OC1CCOC1 XJ0812 [1,0,0,1,0,0|1,0,0]=3 361 B6R1.2 O[C@@H]1CCNC1 HL2373 [1,0,0,1,0,0|0,0,0]=2 362 B6R1.2 O[C@@H]1CCNC1 JZ0855 [1,0,0,1,0,0|0,0,0]=2 363 B6R1.2 O[C@@H]1CCOC1 HL4808 [1,0,0,1,0,0|1,0,0]=3 364 B6R1.2 O[C@@H]1CCSC1 LT5798 [1,0,0,1,0,0|1,0,0]=3 365 B6R1.2 O[C@H]1CCNC1 JZ0222 [1,0,0,1,0,0|0,0,0]=2 366 B6R1.2 O[C@H]1CCNC1 XJ6747 [1,0,0,1,0,0|0,0,0]=2 367 B6R1.2 O[C@H]1CCOC1 HL4807 [1,0,0,1,0,0|1,0,0]=3 368 B6R1.2 O[C@H]1CCSC1 LT5717 [1,0,0,1,0,0|1,0,0]=3 369 B6R1.2 SC1CCCC1 LQ1887 [1,0,0,1,0,0|1,1,0]=4 370 B6R1.2 [Fe]C1CCCC1 HL0728 [1,0,0,1,0,0|2,0,0]=4 371 B6R1.2 [Fe]C1CCCC1 XJ1696 [1,0,0,1,0,0|2,0,0]=4 372 B6R1.3 ICCC1CC1 YH66394 [1,0,0,1,0,0|2,0,0]=4 373 B6R1.3 NCCN1CC1 YH59500 [1,0,0,1,0,0|1,0,0]=3 374 B6R1.3 OCCN1CC1 JZ4346 [1,0,0,1,0,0|0,0,0]=2 375 B6R1.3 [C@@H]1(COC)CO1 LL1074 [1,0,0,1,0,0|2,0,0]=4 376 B6R1.6 BrCC1CCC1 YH39750 [1,0,0,1,0,0|2,0,0]=4 377 B6R1.6 NCC1CCC1 JZ2551 [1,0,0,1,0,0|2,0,0]=4 378 B6R1.6 OCC1CCC1 LT4668 [1,0,0,1,0,0|1,0,0]=3 379 B6R1.8 CC1CC1CO JZ2852 [1,0,0,1,0,0|1,0,0]=3 380 B8R1.2 BrCC1COCCO1 RT8614 [0,1,0,1,0,0|2,0,0]=4 381 B8R1.2 CCC1CCCCN1 HL0893 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.2 CC[C@H]1CNCCN1 YH45335 [0,1,0,1,0,0|2,0,0]=4 383 B8R1.2 CNC1CCCNC1 LT0416 [0,1,0,1,0,0|2,0,0]=4 384 B8R1.2 N#CC1CCCNC1 YH17001 [0,1,0,1,0,0|2,0,0]=4 385 B8R1.2 N#CC1CNCCN1 HL3766 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.2 NCC1CCCCO1 YH12666 [0,1,0,1,0,0|2,0,0]=4 387 B8R1.2 NCC1CCCNC1 LQ4363 [0,1,0,1,0,0|2,0,0]=4 388 B8R1.2 OCC1CCC=CO1 LT2060 [0,1,0,1,0,0|1,0,1]=4 389 B8R1.2 OCC1CCCCC1 HL1270 [0,1,0,1,0,0|2,0,0]=4 390 B8R1.2 OCC1CCCCN1 LT1609 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.2 OCC1CCCNC1 LT0402 [0,1,0,1,0,0|1,0,0]=3 392 B8R1.2 OCC1CCNCC1 LT0484 [0,1,0,1,0,0|2,0,0]=4 393 B8R1.2 OCC1CCOCC1 JZ4923 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.2 OCC1CNCCN1 YH52067 [0,1,0,1,0,0|1,0,0]=3 395 B8R1.2 OCC1CNCCO1 HL3143 [0,1,0,1,0,0|0,0,0]=2 396 B8R1.2 OCC1COCCN1 YH23562 [0,1,0,1,0,0|0,0,0]=2 397 B8R1.2 OCC1COCCO1 RT8627 [0,1,0,1,0,0|1,0,0]=3 398 B8R1.2 OC[C@@H]1CNCCN1 YH35885 [0,1,0,1,0,0|1,0,0]=3 399 B8R1.2 OC[C@@H]1CNCCO1 YH31815 [0,1,0,1,0,0|0,0,0]=2 400 B8R1.2 OC[C@H]1COCCN1 YH45867 [0,1,0,1,0,0|0,0,0]=2 401 B8R1.2 ONC1CCCCC1 JZ5616 [0,1,0,1,0,0|2,0,0]=4 402 B8R1.5 CC1CCCCC1O XJ1008 [0,1,0,1,0,0|2,0,0]=4 403 B8R1.5 CC1CNCCC1=O YH08115 [0,1,0,1,0,0|1,0,1]=4 404 B8R1.5 NC1CCCCC1O JZ2993 [0,1,0,1,0,0|2,0,0]=4 405 B8R1.5 NC1COCCC1O YH55045 [0,1,0,1,0,0|2,0,0]=4 406 B8R1.5 N[C@@H]1CCCC[C@H]1O LQ2896 [0,1,0,1,0,0|2,0,0]=4 407 B8R1.5 N[C@@H]1COCC[C@H]1O RT15009 [0,1,0,1,0,0|2,0,0]=4 408 B8R1.5 N[C@H]1COCC[C@@H]1O RT15007 [0,1,0,1,0,0|2,0,0]=4 409 B8R1.5 O=C1CCNCC1F YH23614 [0,1,0,1,0,0|1,0,1]=4 410 B8R1.5 O=C1CCOCC1O CJ3043 [0,1,0,1,0,0|1,0,1]=4 411 B8R1.5 OC1CCCCC1O LQ1555 [0,1,0,1,0,0|1,0,0]=3 412 B8R1.5 O[C@@H]1CCCC[C@@H]1Cl LT2047 [0,1,0,1,0,0|2,0,0]=4 413 B8R1.5 O[C@@H]1CCCC[C@H]1F XJ1265 [0,1,0,1,0,0|2,0,0]=4 414 B8R1.5 O[C@H]1CCCC[C@H]1O XJ1939 [0,1,0,1,0,0|1,0,0]=3 415 B8R1.8 BrCCC1OCCO1 LQ4089 [0,1,0,1,0,0|2,0,0]=4 416 B8R1.8 BrCCN1CCCC1 LX2478 [0,1,0,1,0,0|2,0,0]=4 417 B8R1.8 BrCCN1CCCC1 YH06128 [0,1,0,1,0,0|2,0,0]=4 418 B8R1.8 CCOC1CCCO1 XJ3908 [0,1,0,1,0,0|2,0,0]=4 419 B8R1.8 ClCCN1CCCC1 HL2871 [0,1,0,1,0,0|2,0,0]=4 420 B8R1.8 ClCCN1CCCC1 LQ3213 [0,1,0,1,0,0|2,0,0]=4 421 B8R1.8 NCCC1OCCO1 XJ2993 [0,1,0,1,0,0|2,0,0]=4 422 B8R1.8 O=CCC1CCCO1 RT17487 [0,1,0,1,0,0|1,0,1]=4 423 B8R1.8 OCCC1CCNC1 YH96359 [0,1,0,1,0,0|2,0,0]=4 424 B8R1.8 OCCN1CCCC1 JZ2200 [0,1,0,1,0,0|1,0,0]=3 425 B8R1.11 C[C@H]1CNC[C@@H]1CO YH97380 [0,1,0,1,0,0|1,0,0]=3 426 B8R1.11 OC[C@@H]1CC=C[C@@H]1O RT18647 [0,1,0,1,0,0|1,0,1]=4 427 B8R1.22 CC1CCCCCN1 RT15388 [0,1,0,1,0,0|2,0,0]=4 428 B8R1.22 CC1CCCNCC1 RT15402 [0,1,0,1,0,0|2,0,0]=4 429 B8R1.22 CN1CCCNCC1 LQ2672 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.22 NC1CCCCNC1 YH66537 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.22 NN1CCCCCC1 LT0330 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.22 O=C1CCCNCC1 XJ5502 [0,1,0,1,0,0|1,0,1]=4 433 B8R1.22 OC1CCCCCC1 XJ0857 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.36 CCCNCC1CC1 LQ4507 [0,1,0,1,0,0|2,0,0]=4 435 B8R1.49 C1CNCCCNC1 YH07623 [0,1,0,1,0,0|2,0,0]=4 436 B8R1.1 CC1CCC(CO)O1 RT14154 [0,1,0,1,0,0|1,0,0]=3 437 B8R1.1 O=C1CC[C@@H](CO)N1 RT15015 [0,1,0,1,0,0|1,0,1]=4 438 B8R1.1 O=C1CC[C@H](CO)N1 RT14231 [0,1,0,1,0,0|1,0,1]=4 439 B8R1.3 C[C@@H]1CN[C@H](C)CN1 YH10909 [0,1,0,1,0,0|2,0,0]=4 440 B8R1.3 C[C@H]1CC[C@@H](O)CC1 JZ3188 [0,1,0,1,0,0|2,0,0]=4 441 B8R1.3 C[C@H]1CC[C@H](O)CC1 JZ3189 [0,1,0,1,0,0|2,0,0]=4 442 B8R1.3 C[C@H]1CN[C@H](C)CN1 YH51692 [0,1,0,1,0,0|2,0,0]=4 443 B8R1.3 N[C@H]1CC[C@@H](O)CC1 YH00053 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.3 N[C@H]1CC[C@H](O)CC1 LT5722 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.3 N[C@H]1CC[C@H](O)CC1 YH04278 [0,1,0,1,0,0|2,0,0]=4 446 B8R1.3 O=C1CC[C@@H](O)CN1 YH21770 [0,1,0,1,0,0|1,0,1]=4 447 B8R1.3 O=C1CC[C@@H](O)CN1 YH43352 [0,1,0,1,0,0|1,0,1]=4 448 B8R1.3 O=C1CC[C@H](O)CN1 YH48824 [0,1,0,1,0,0|1,0,1]=4 449 B8R1.3 OC1COC(O)CO1 YH48124 [0,1,0,1,0,0|1,0,0]=3 450 B8R1.50 CC1CCC(O)C1O XJ4948 [0,1,0,1,0,0|1,0,0]=3 451 B8R1.52 CCC1(C)OCCO1 HL1523 [0,1,0,1,0,0|2,0,0]=4 452 B8R1.4 CC1CCCC(O)C1 HL0098 [0,1,0,1,0,0|2,0,0]=4 453 B8R1.4 CC1CNCC(C)C1 LQ4869 [0,1,0,1,0,0|2,0,0]=4 454 B8R1.4 CC1CNCC(C)O1 XJ0589 [0,1,0,1,0,0|1,0,0]=3 455 B8R1.4 CN1CCCC(N)C1 LT0403 [0,1,0,1,0,0|2,0,0]=4 456 B8R1.4 CN1CCCC(O)C1 JZ2330 [0,1,0,1,0,0|1,0,0]=3 457 B8R1.4 C[C@H]1CC(=O)CCO1 YH66361 [0,1,0,1,0,0|2,0,0]=4 458 B8R1.4 C[C@H]1CCC[C@@H](O)C1 LQ4462 [0,1,0,1,0,0|2,0,0]=4 459 B8R1.4 C[C@H]1CNC[C@@H](C)N1 LT0198 [0,1,0,1,0,0|2,0,0]=4 460 B8R1.4 C[C@H]1CNC[C@@H](C)O1 RT15039 [0,1,0,1,0,0|1,0,0]=3 461 B8R1.4 NC1CCCC(O)C1 JZ2994 [0,1,0,1,0,0|2,0,0]=4 462 B8R1.4 OC1CCCC(O)C1 XJ0873 [0,1,0,1,0,0|1,0,0]=3 463 B8R1.7 O=C(O)C1CCCO1 LT5095 [0,1,0,1,0,0|1,0,1]=4 464 B8R1.7 O=C(O)C1NCCS1 LT6660 [0,1,0,1,0,0|0,1,1]=4 465 B8R1.7 O=C(O)[C@@H]1CCCN1 JZ0527 [0,1,0,1,0,0|1,0,1]=4 466 B8R1.7 O=C(O)[C@@H]1CCCO1 XJ6513 [0,1,0,1,0,0|1,0,1]=4 467 B8R1.7 O=C(O)[C@H]1CCCO1 XJ6512 [0,1,0,1,0,0|1,0,1]=4 468 B8R1.72 CC1(C)CNCCN1 YH65105 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.72 CC1(O)CCCCC1 HL0085 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.72 CC1(O)CCCCC1 XJ4851 [0,1,0,1,0,0|2,0,0]=4 471 B8R2.34 C1CC2CCC1O2 LL0615 [0,0,0,2,0,0|2,0,0]=4 472 B8R2.34 C1O[C@@H]2CN[C@H]1C2 YH53958 [0,0,0,2,0,0|1,0,0]=3 473 B8R2.55 C1CSC2(O1)OO2 LQ4306 [0,0,0,2,0,0|2,0,0]=4 474 B8R2.25 C1CCC2OC2C1 LL0621 [0,0,0,2,0,0|2,0,0]=4 475 B8R2.24 C1CC1NC2CC2 YH49164 [0,0,0,2,0,0|2,0,0]=4