0 B7R0.4 C(=O)OCCC(C)C LL0422 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.4 C=CCCCC(C)C JZ3497 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.4 CC(C)CCCC=O RT0513 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.4 CC(C)CCCCO RT0516 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.4 CC(C)OCCCN LT2607 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.4 CCCCCC(C)C HL0115 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.4 CCCCCC(C)N JZ2985 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.4 CCCCCC(C)N XJ0515 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.4 CCCCC[C@H](C)O JZ2825 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.4 CCNCCN(C)C XJ0516 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.4 CN(C)CCCCN JZ2305 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.4 C#CCCC(C)C JZ1939 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.4 C=CCCC(C)=O LQ0437 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 C=CCCC(C)C JZ2300 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.4 CC(Br)CCCBr HL0239 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.4 CC(C)CCC=O RT0502 [1,0,0,0,0,0|0,0,0]=1 16 B6R0.4 CC(C)CCCBr HL0240 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.4 CC(C)CN=C=S HL0107 [1,0,0,0,0,0|1,1,1]=4 18 B6R0.4 CC(C)COC=O XJ0953 [1,0,0,0,0,0|0,0,0]=1 19 B6R0.4 CC(C)OCCO LQ0441 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.4 CC(N)CCCO RT0123 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.4 CCCCC(C)Br HL2516 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 CCCSC(C)C HL2844 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.4 CN(C)CCCBr LQ5309 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 CN(C)CCCBr YH08472 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.4 CN(C)CCCCl HL0729 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 CN(C)CCCCl HL2943 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.4 CN(C)CCCCl LQ0440 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 CN(C)CCCN RT1449 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.4 CN(C)CCCO LT2968 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.4 CNCCN(C)C XJ0598 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.4 COCCC(C)O LT2442 [1,0,0,0,0,0|1,0,1]=3 32 B6R0.6 C#CCCCCC HL0285 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.6 C=CCCCCCl LQ1525 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.6 CCCCCC#N HL0286 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.6 CCCCCCCl HL1956 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.6 CCCCCCI JZ4066 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.6 CCCCCCO XJ0385 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.6 CCCCCCS XJ0387 [1,0,0,0,0,0|1,1,1]=4 39 B6R0.6 CCCCCNC LT5645 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.6 CCCCC[Mg]Cl JZ2964 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.6 CCCCN=C=S HL0124 [1,0,0,0,0,0|1,1,1]=4 42 B6R0.6 CCCCOCC HL0289 [1,0,0,0,0,0|1,0,1]=3 43 B6R0.6 CCCCOCCl LT4489 [1,0,0,0,0,0|1,0,1]=3 44 B6R0.6 CCCCSC#N HL0290 [1,0,0,0,0,0|1,1,1]=4 45 B6R0.6 CCCCSCC JZ4067 [1,0,0,0,0,0|1,1,1]=4 46 B6R0.6 CCC\C=C\C=O LQ3146 [1,0,0,0,0,0|1,0,1]=3 47 B6R0.6 CCOCCCCl XJ5236 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.6 CCOCCOC LQ2802 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.6 C\C=C\CCCO XJ3000 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.6 C\C=C\SCCC YH55419 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.6 O=CCCCC=O LT7833 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.6 O=CCCCC=O YH24624 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.6 O=CCCCCO YH66094 [1,0,0,0,0,0|2,0,0]=3 54 B8R0.6 COC(=O)CCCC=O YH09376 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.7 CC(C)CCCCC=O RT0529 [0,1,0,0,0,0|1,0,0]=2 56 B8R0.7 CC(C)CCCCCO RT1226 [0,1,0,0,0,0|1,0,2]=4 57 B8R0.7 CC\C=C\CCC(C)O RT1178 [0,1,0,0,0,0|3,0,0]=4 58 B8R0.7 CN(C)CCOCCO LQ1936 [0,1,0,0,0,0|1,0,2]=4 59 B8R0.8 CCCCC(O)C(C)C LQ4085 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.9 C=CC(=O)OCC(C)C HL1320 [0,1,0,0,0,0|3,0,0]=4 61 B8R0.21 CC(C)(S)CCOC=O RT1370 [0,1,0,0,0,0|0,0,0]=1 62 B8R0.21 C[Si](C)(C)CCOCCl LT6059 [0,1,0,0,0,0|1,1,1]=4 63 B8R0.28 C=C(C)CCOC(C)=O LQ2782 [0,1,0,0,0,0|0,0,2]=3 64 B8R0.28 CC(=O)CCCC(=O)O LQ2357 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.28 CC(=O)NCCC(C)C YH32371 [0,1,0,0,0,0|1,0,0]=2 66 B8R0.28 CC(=O)SCC=C(C)C RT19804 [0,1,0,0,0,0|0,1,2]=4 67 B8R0.28 CC(C)CCCC(=O)O HL0282 [0,1,0,0,0,0|1,0,0]=2 68 B8R0.28 CC(C)CCOC(=S)[S-] LQ1523 [0,1,0,0,0,0|0,1,0]=2 69 B8R0.28 CC(C)CCO[N+](=O)[O-] XJ0969 [0,1,0,0,0,0|1,0,0]=2 70 B8R0.28 CC(C)C\C=C\C(=O)O RT1138 [0,1,0,0,0,0|1,0,1]=3 71 B8R0.28 CC(O)CCCC(=O)O RT0557 [0,1,0,0,0,0|2,0,0]=3 72 B8R0.28 CN(C)CCCC(=O)O HL4424 [0,1,0,0,0,0|2,0,0]=3 73 B8R0.28 CN(C)C\C=C\C(=O)O RT4916 [0,1,0,0,0,0|2,0,1]=4 74 B8R1.4 CC1=CC(=O)CCC1 JZ4467 [0,0,0,1,0,0|1,0,2]=4 75 B8R1.4 CC1CCCC(=O)O1 LQ1481 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.4 CC1CCCC(C)C1 HL0097 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.4 CC1CCCC(O)C1 HL0098 [0,0,0,1,0,0|1,0,2]=4 78 B8R1.4 CC1CCNC(=N)C1 LT0381 [0,0,0,1,0,0|2,0,0]=3 79 B8R1.4 C[C@H]1CC(=O)CCO1 YH66361 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.4 C[C@H]1CCC[C@@H](O)C1 LQ4462 [0,0,0,1,0,0|1,0,2]=4 81 B8R1.4 NC1CCCC(=O)C1 YH35862 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.4 NC1CCNC(=O)C1 JZ2737 [0,0,0,1,0,0|2,0,0]=3 83 B8R1.4 O=C1CC(O)CCN1 HL4116 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.19 CC1(C)CCC=[N+]1[O-] XJ2463 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.19 CC1(C)CCCC1N RT4727 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.22 CC1CCCNCC1 RT15402 [0,0,0,1,0,0|2,0,1]=4 87 B5R0.1 C=CCC(C)C LQ1324 [2,0,0,0,0,0|0,0,1]=3 88 B5R0.1 C=CCC(C)O XJ1184 [2,0,0,0,0,0|1,0,1]=4 89 B5R0.1 C=CCN(C)C JZ1867 [2,0,0,0,0,0|1,0,1]=4 90 B5R0.1 CC(=O)CC=O XJ1186 [2,0,0,0,0,0|1,0,1]=4 91 B5R0.1 CC(Br)CCBr HL1367 [2,0,0,0,0,0|2,0,0]=4 92 B5R0.1 CC(C)=CCO LT3091 [2,0,0,0,0,0|0,0,2]=4 93 B5R0.1 CC(C)CC#N XJ1183 [2,0,0,0,0,0|1,0,1]=4 94 B5R0.1 CC(C)CCCl HL1371 [2,0,0,0,0,0|1,0,0]=3 95 B5R0.1 CC(C)CCI XJ0935 [2,0,0,0,0,0|1,0,0]=3 96 B5R0.1 CC(C)N=C=O LT4097 [2,0,0,0,0,0|1,0,1]=4 97 B5R0.1 CC(C)OC=O XJ1196 [2,0,0,0,0,0|0,0,0]=2 98 B5R0.1 CC(O)CC=O HL1375 [2,0,0,0,0,0|1,0,0]=3 99 B5R0.1 CCCC(C)C HL1370 [2,0,0,0,0,0|0,0,1]=3 100 B5R0.1 CCCC(C)C HL4500 [2,0,0,0,0,0|0,0,1]=3 101 B5R0.1 CCC[C@H](C)O LQ4668 [2,0,0,0,0,0|1,0,1]=4 102 B5R0.1 CN(C)CCCl HL2802 [2,0,0,0,0,0|2,0,0]=4 103 B5R0.1 CN(C)CCN HL1382 [2,0,0,0,0,0|2,0,0]=4 104 B5R0.1 CN(C)CCO HL1383 [2,0,0,0,0,0|1,0,0]=3 105 B5R0.1 CN(C)CCS LT4952 [2,0,0,0,0,0|1,1,0]=4 106 B5R0.1 COCC(C)N XJ5266 [2,0,0,0,0,0|1,0,1]=4 107 B5R0.1 COC[C@H](C)N XJ6713 [2,0,0,0,0,0|1,0,1]=4 108 B5R0.1 C[C@@H](N)CCO RT0497 [2,0,0,0,0,0|1,0,0]=3 109 B5R0.1 C[C@@H](O)CCO SY0267 [2,0,0,0,0,0|1,0,0]=3 110 B5R0.2 C#CCCCC LQ1326 [2,0,0,0,0,0|1,0,1]=4 111 B5R0.2 C=CCCCBr XJ1587 [2,0,0,0,0,0|2,0,0]=4 112 B5R0.2 CCCCC#N LL0427 [2,0,0,0,0,0|1,0,1]=4 113 B5R0.2 CCCCCI HL0274 [2,0,0,0,0,0|1,0,1]=4 114 B5R0.2 CCCCNC LL0434 [2,0,0,0,0,0|1,0,1]=4 115 B5R0.2 CCCCSC HL0277 [2,0,0,0,0,0|0,1,1]=4 116 B5R0.2 CCCC[SnH]=O LQ5214 [2,0,0,0,0,0|1,0,0]=3 117 B5R0.2 CCCN=C=O LL0443 [2,0,0,0,0,0|1,0,1]=4 118 B5R0.2 CCCOC=O LL0440 [2,0,0,0,0,0|0,0,0]=2 119 B5R0.2 CCCOCCl JZ2364 [2,0,0,0,0,0|1,0,1]=4 120 B5R0.2 CNCCOC LQ4938 [2,0,0,0,0,0|1,0,1]=4 121 B5R0.2 COCCC=O YH51649 [2,0,0,0,0,0|1,0,0]=3 122 B5R0.2 COCCCCl LQ4914 [2,0,0,0,0,0|1,0,1]=4 123 B5R0.2 COCCCN LT2986 [2,0,0,0,0,0|1,0,1]=4 124 B5R0.2 CSCCC=O LT3092 [2,0,0,0,0,0|1,0,0]=3 125 B5R0.2 C\C=C\CCC XJ2577 [2,0,0,0,0,0|1,0,1]=4 126 B5R0.2 NOCCCS RT0541 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.2 O=CCCC=O YH11511 [2,0,0,0,0,0|1,0,1]=4 128 B7R0.2 CC(C)C[C@@H](N)CO LT4736 [1,1,0,0,0,0|0,0,2]=4 129 B7R0.2 CCC(C)CC(C)C XJ0315 [1,1,0,0,0,0|1,0,1]=4 130 B7R0.2 [C@@H](N)(CO)CC(C)C JZ1582 [1,1,0,0,0,0|0,0,2]=4 131 B7R0.3 C=CCC[C@H](O)CCl YH66482 [1,1,0,0,0,0|2,0,0]=4 132 B7R0.3 CCCCC(C)CC HL0067 [1,1,0,0,0,0|1,0,1]=4 133 B7R0.3 CN(CCC=O)N=O RT1201 [1,1,0,0,0,0|2,0,0]=4 134 B7R0.3 COC(=O)CCC=O YH33690 [1,1,0,0,0,0|1,0,1]=4 135 B7R0.3 COCO[C@@H](C)CO CJ3006 [1,1,0,0,0,0|1,0,1]=4 136 B7R0.3 COCO[C@H](C)CO CJ2789 [1,1,0,0,0,0|1,0,1]=4 137 B7R0.5 CC(C)[C@H](C)N=C=O HL4545 [1,1,0,0,0,0|1,0,1]=4 138 B7R0.5 CCCC(O)C(C)C LQ1202 [1,1,0,0,0,0|1,0,1]=4 139 B7R0.6 CC(=O)CCC(=O)O RT1110 [1,1,0,0,0,0|1,0,1]=4 140 B7R0.6 CC(=O)CCC(C)=O LL0405 [1,1,0,0,0,0|1,0,1]=4 141 B7R0.6 CC(=O)CCC(C)C LL0404 [1,1,0,0,0,0|0,0,0]=2 142 B7R0.6 CC(=O)\C=C\C(C)C LQ2825 [1,1,0,0,0,0|0,0,2]=4 143 B7R0.6 CC(C)CCC(=O)O XJ1215 [1,1,0,0,0,0|0,0,0]=2 144 B7R0.6 CC(C)CCC(C)C HL0113 [1,1,0,0,0,0|1,0,1]=4 145 B7R0.6 CC(C)CCC(C)N RT0214 [1,1,0,0,0,0|1,0,1]=4 146 B7R0.6 CC(C)CCC(C)O HL0260 [1,1,0,0,0,0|0,0,2]=4 147 B7R0.6 CC(C)CNC(N)=O RT15753 [1,1,0,0,0,0|1,0,0]=3 148 B7R0.6 CC(C)COC(=O)Cl XJ0965 [1,1,0,0,0,0|0,0,0]=2 149 B7R0.6 C[S+](C)CCC(=O)O RT0388 [1,1,0,0,0,0|1,0,0]=3 150 B7R0.6 C[S+](C)CCC(=O)[O-] LQ3247 [1,1,0,0,0,0|1,0,0]=3 151 B7R0.8 C=CCC[Si](C)(C)C XJ1334 [1,1,0,0,0,0|1,1,0]=4 152 B7R0.8 CCCCC(C)(C)Cl JZ2528 [1,1,0,0,0,0|1,0,1]=4 153 B7R0.1 CCCCCN=C=O JZ2397 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.1 CCCCCON=O LQ0831 [1,1,0,0,0,0|1,0,0]=3 155 B7R0.1 CCCCOCCO XJ0413 [1,1,0,0,0,0|0,0,2]=4 156 B7R0.1 CCOCCCCCl XJ5238 [1,1,0,0,0,0|1,0,1]=4 157 B7R0.1 CCOCCCCO LT2386 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.1 C\C=C\CCCCC XJ0407 [1,1,0,0,0,0|2,0,0]=4 159 B7R0.7 C=CCC(O)CCC JZ2295 [1,1,0,0,0,0|2,0,0]=4 160 B7R0.7 C\C=C\C(O)CCC JZ2612 [1,1,0,0,0,0|2,0,0]=4 161 B9R0.53 CC(C)C[C@H](N)CC(=O)O YH47842 [0,2,0,0,0,0|1,0,0]=3 162 B9R0.53 CN(C)C[C@H](O)CC(=O)O RT1299 [0,2,0,0,0,0|2,0,0]=4 163 B9R0.1 CCC(=O)OCCC(C)C XJ0333 [0,2,0,0,0,0|0,0,0]=2 164 B9R0.1 COC(C)CCOC(=O)Cl JZ0071 [0,2,0,0,0,0|0,0,0]=2 165 B9R0.1 COC(C)CCOC(C)=O XJ2686 [0,2,0,0,0,0|0,0,0]=2 166 B9R0.2 CC(C)CCCCCC=O RT1248 [0,2,0,0,0,0|1,0,0]=3 167 B9R0.55 CC(C)CCCCC(=O)[O-] LL1076 [0,2,0,0,0,0|1,0,0]=3 168 B9R0.55 CC(C)CCCCC(=O)[O-] XJ6478 [0,2,0,0,0,0|1,0,0]=3 169 B9R0.7 CC(C)CC[C@@H](N)C(=O)O HL3488 [0,2,0,0,0,0|1,0,0]=3 170 B9R0.7 CC(C)CC[C@H](N)C(=O)O RT5348 [0,2,0,0,0,0|1,0,0]=3 171 B9R0.56 CN(C)CCOP(=O)(O)O RT4806 [0,2,0,0,0,0|2,0,0]=4 172 B9R0.56 C[N+](C)(C)CCOC(N)=O HL1007 [0,2,0,0,0,0|1,0,0]=3 173 B7R1.2 CC1=CC(=O)CC1 HL2331 [1,0,0,1,0,0|0,0,2]=4 174 B7R1.2 CC1CCC(=O)C1 XJ1883 [1,0,0,1,0,0|0,0,0]=2 175 B7R1.2 CC1CSC(=O)S1 RT14660 [1,0,0,1,0,0|1,1,0]=4 176 B7R1.2 CN1CCC(=O)C1 XJ6122 [1,0,0,1,0,0|1,0,0]=3 177 B7R1.2 C[C@H]1COC(=O)N1 YH59595 [1,0,0,1,0,0|1,0,0]=3 178 B7R1.2 O=C1CC(O)CN1 RT4517 [1,0,0,1,0,0|2,0,0]=4 179 B7R1.2 O=C1COC(=O)C1 XJ2822 [1,0,0,1,0,0|1,0,1]=4 180 B7R1.2 O=C1C[C@@H](O)CN1 RT3914 [1,0,0,1,0,0|2,0,0]=4 181 B7R1.2 O=C1C[C@H](O)CN1 M0400303 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.2 O=C1OCC(Cl)O1 LT4482 [1,0,0,1,0,0|2,0,0]=4 183 B7R1.2 O=C1OCC(Cl)O1 LT7595 [1,0,0,1,0,0|2,0,0]=4 184 B7R1.3 BrC1CCOCC1 YH49891 [1,0,0,1,0,0|1,0,1]=4 185 B7R1.3 CC1CCCCC1 LQ0421 [1,0,0,1,0,0|1,0,1]=4 186 B7R1.3 CC1CCNCC1 HL0233 [1,0,0,1,0,0|1,0,1]=4 187 B7R1.3 CN1CCOCC1 LT7334 [1,0,0,1,0,0|1,0,1]=4 188 B7R1.3 C[C@H]1CCCNC1 HL0232 [1,0,0,1,0,0|1,0,1]=4 189 B7R1.3 NC1CCOCC1 LT5833 [1,0,0,1,0,0|1,0,1]=4 190 B7R1.3 NC1CCOCC1 YH54791 [1,0,0,1,0,0|1,0,1]=4 191 B7R1.3 OC1CCOCC1 HL2134 [1,0,0,1,0,0|1,0,1]=4 192 B7R1.3 OC1CCOCC1 YH45458 [1,0,0,1,0,0|1,0,1]=4 193 B7R1.7 C=CCCC1CO1 YH22163 [1,0,0,1,0,0|2,0,0]=4 194 B7R1.7 C=CCC[C@H]1CO1 YH66356 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.14 CC1(C)CCCO1 HL0572 [1,0,0,1,0,0|0,0,2]=4 196 B7R1.14 CC1(C)COC=N1 XJ5048 [1,0,0,1,0,0|1,0,0]=3 197 B7R1.14 CC1(C)COCN1 LT2687 [1,0,0,1,0,0|1,0,1]=4 198 B7R1.17 CC1(C)COC1=O RT14112 [1,0,0,1,0,0|0,0,0]=2 199 B7R1.23 O=CC1CC1(F)F YH27492 [1,0,0,1,0,0|2,0,0]=4 200 B7R1.1 O=CC1CCCC1 XJ1419 [1,0,0,1,0,0|1,0,0]=3 201 B7R1.1 O=CC1CCCO1 LX2512 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.4 C=C1CCOC1=O HL1987 [1,0,0,1,0,0|0,0,2]=4 203 B7R1.4 CC1CCNC1=O YH49833 [1,0,0,1,0,0|1,0,0]=3 204 B7R1.4 CC1CCOC1=O LQ1890 [1,0,0,1,0,0|0,0,0]=2 205 B7R1.4 CC1OCCC1=O LT1811 [1,0,0,1,0,0|2,0,0]=4 206 B7R1.4 CC1SCCC1=O LT1812 [1,0,0,1,0,0|2,0,0]=4 207 B7R1.4 CN1CCCC1=O RT4374 [1,0,0,1,0,0|2,0,0]=4 208 B7R1.4 CN1CCCC1=O XJ2240 [1,0,0,1,0,0|2,0,0]=4 209 B7R1.4 CN1CCNC1=O RT13275 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.4 CN1CCOC1=O LT3023 [1,0,0,1,0,0|1,0,0]=3 211 B7R1.4 NC1CCNC1=O YH49305 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.4 NC1CCOC1=O LT3746 [1,0,0,1,0,0|1,0,0]=3 213 B7R1.4 NC1CCOC1=O LT3981 [1,0,0,1,0,0|1,0,0]=3 214 B7R1.4 NC1CCSC1=O LT5282 [1,0,0,1,0,0|1,1,0]=4 215 B7R1.4 NN1CCOC1=O RT14817 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.4 N[C@@H]1CCOC1=O LL1835 [1,0,0,1,0,0|1,0,0]=3 217 B7R1.4 O=C1OCCC1Br LT3313 [1,0,0,1,0,0|1,0,0]=3 218 B7R1.4 O=C1OCCC1O LT6912 [1,0,0,1,0,0|1,0,0]=3 219 B7R1.24 C1CCCOCC1 LQ1074 [1,0,0,1,0,0|1,0,1]=4 220 B9R1.34 CC1=CC(=O)CC(C)C1 HL0663 [0,1,0,1,0,0|1,0,1]=4 221 B9R1.38 CC1(C)CC(=O)OC1=O YH39976 [0,1,0,1,0,0|0,0,1]=3 222 B9R1.41 CC(C)N1CCCC1=O HL2628 [0,1,0,1,0,0|1,0,0]=3 223 B9R1.66 CC1(O)CCOC(=O)C1 HL0327 [0,1,0,1,0,0|0,0,0]=2 224 B9R1.3 CC1CCCC(=O)C1=O XJ2361 [0,1,0,1,0,0|1,0,1]=4 225 B9R1.49 CN1CCCC(=O)CC1 CJ2109 [0,1,0,1,0,0|2,0,0]=4 226 B9R1.49 CN1CCNC(=O)CC1 LQ2863 [0,1,0,1,0,0|2,0,0]=4 227 B9R1.49 CN1CCNC(=O)CC1 YH09522 [0,1,0,1,0,0|2,0,0]=4 228 B9R1.85 O=C(O)COCC1CC1 RT17500 [0,1,0,1,0,0|2,0,0]=4 229 B9R1.35 CC(C)[C@H]1CSC(=S)N1 LT5892 [0,1,0,1,0,0|0,2,0]=4 230 B9R1.35 CC1CC[C@@H](C(=O)O)N1 YH93916 [0,1,0,1,0,0|2,0,0]=4 231 B9R1.133 C(=O)[C@@H]1COC(C)(C)O1 XJ4670 [0,1,0,1,0,0|2,0,0]=4 232 B9R1.133 C(=O)[C@H]1COC(C)(C)O1 M0500219 [0,1,0,1,0,0|2,0,0]=4