0 B7R0.4 C(=O)OCCC(C)C LL0422 [0,0,0,0,0,0|1,1,1]=3 1 B7R0.4 C=CCCCC(C)C JZ3497 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.4 CC(C)CCCC=O RT0513 [0,0,0,0,0,0|1,1,1]=3 3 B7R0.4 CC(C)CCCCO RT0516 [0,0,0,0,0,0|1,1,1]=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|2,0,2]=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)C JZ2300 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.4 CC(Br)CCCBr HL0239 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 CC(C)CCC=O RT0502 [1,0,0,0,0,0|0,1,1]=3 15 B6R0.4 CC(C)CCCBr HL0240 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.4 CC(C)CN=C=S HL0107 [1,0,0,0,0,0|0,0,0]=1 17 B6R0.4 CC(C)COC=O XJ0953 [1,0,0,0,0,0|1,1,1]=4 18 B6R0.4 CC(C)OCCO LQ0441 [1,0,0,0,0,0|1,1,1]=4 19 B6R0.4 CC(N)CCCO RT0123 [1,0,0,0,0,0|1,1,1]=4 20 B6R0.4 CCCCC(C)Br HL2516 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.4 CCCSC(C)C HL2844 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 CN(C)CCCBr LQ5309 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.4 CN(C)CCCBr YH08472 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 CN(C)CCCCl HL0729 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.4 CN(C)CCCCl HL2943 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 CN(C)CCCCl LQ0440 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.4 CN(C)CCCN RT1449 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 CN(C)CCCO LT2968 [1,0,0,0,0,0|1,1,1]=4 29 B6R0.4 CNCCN(C)C XJ0598 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.4 COCCC(C)O LT2442 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.6 C#CCCCCC HL0285 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.6 CCCCCC#N HL0286 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.6 CCCCCCCl HL1956 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.6 CCCCCCI JZ4066 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.6 CCCCCCO XJ0385 [1,0,0,0,0,0|1,1,1]=4 36 B6R0.6 CCCCCCS XJ0387 [1,0,0,0,0,0|1,0,2]=4 37 B6R0.6 CCCCCNC LT5645 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.6 CCCCC[Mg]Cl JZ2964 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.6 CCCCN=C=S HL0124 [1,0,0,0,0,0|0,0,0]=1 40 B6R0.6 CCCCOCC HL0289 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.6 CCCCOCCl LT4489 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.6 CCCCSC#N HL0290 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.6 CCCCSCC JZ4067 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.6 COCCN=C=S LQ4979 [1,0,0,0,0,0|1,0,0]=2 45 B8R0.6 COC(=O)CCN=C=S LQ4144 [0,1,0,0,0,0|1,0,1]=3 46 B8R0.7 CC(C)CCCCC=O RT0529 [0,1,0,0,0,0|1,1,1]=4 47 B8R0.7 CC(C)CCCCCO RT1226 [0,1,0,0,0,0|1,1,1]=4 48 B8R0.7 CS(=O)CCCN=C=S RT1324 [0,1,0,0,0,0|2,0,0]=3 49 B8R0.8 CCCCC(O)C(C)C LQ4085 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.21 CC(C)(S)CCOC=O RT1370 [0,1,0,0,0,0|1,1,1]=4 51 B8R0.28 CC(=O)NCCC(C)C YH32371 [0,1,0,0,0,0|0,1,2]=4 52 B8R0.28 CC(C)CCCC(=O)O HL0282 [0,1,0,0,0,0|1,1,1]=4 53 B8R0.28 CC(C)CCOC(=S)[S-] LQ1523 [0,1,0,0,0,0|1,0,1]=3 54 B8R0.28 CC(C)CCO[N+](=O)[O-] XJ0969 [0,1,0,0,0,0|2,1,0]=4 55 B8R1.4 CC1CCCC(C)C1 HL0097 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.4 CC1CCCC(O)C1 HL0098 [0,0,0,1,0,0|1,1,1]=4 57 B8R1.4 CC1CCNC(=N)C1 LT0381 [0,0,0,1,0,0|1,0,2]=4 58 B8R1.4 C[C@H]1CCC[C@@H](O)C1 LQ4462 [0,0,0,1,0,0|1,1,1]=4 59 B8R1.19 CC1(C)CCC=[N+]1[O-] XJ2463 [0,0,0,1,0,0|2,1,0]=4 60 B8R1.19 CC1(C)CCCC1N RT4727 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.22 CC1CCCNCC1 RT15402 [0,0,0,1,0,0|1,0,2]=4 62 B5R0.1 C=CCC(C)C LQ1324 [2,0,0,0,0,0|0,0,2]=4 63 B5R0.1 CC(Br)CCBr HL1367 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.1 CC(C)CC#N XJ1183 [2,0,0,0,0,0|0,0,2]=4 65 B5R0.1 CC(C)CCCl HL1371 [2,0,0,0,0,0|1,0,0]=3 66 B5R0.1 CC(C)CCI XJ0935 [2,0,0,0,0,0|1,0,0]=3 67 B5R0.1 CC(C)N=C=O LT4097 [2,0,0,0,0,0|0,1,0]=3 68 B5R0.1 CCCC(C)C HL1370 [2,0,0,0,0,0|0,0,1]=3 69 B5R0.1 CCCC(C)C HL4500 [2,0,0,0,0,0|0,0,1]=3 70 B5R0.1 CCC[C@H](C)O LQ4668 [2,0,0,0,0,0|1,0,1]=4 71 B5R0.1 CN(C)CCCl HL2802 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.1 CN(C)CCN HL1382 [2,0,0,0,0,0|1,0,1]=4 73 B5R0.1 CN(C)CCO HL1383 [2,0,0,0,0,0|1,1,0]=4 74 B5R0.1 CN(C)CCS LT4952 [2,0,0,0,0,0|1,0,1]=4 75 B5R0.1 C[C@@H](N)CCO RT0497 [2,0,0,0,0,0|1,1,0]=4 76 B5R0.1 C[C@@H](O)CCO SY0267 [2,0,0,0,0,0|1,1,0]=4 77 B5R0.2 C#CCCCC LQ1326 [2,0,0,0,0,0|1,0,1]=4 78 B5R0.2 C=CCN=C=S LQ0009 [2,0,0,0,0,0|0,0,2]=4 79 B5R0.2 CCCCC#N LL0427 [2,0,0,0,0,0|1,0,1]=4 80 B5R0.2 CCCCCI HL0274 [2,0,0,0,0,0|1,0,1]=4 81 B5R0.2 CCCCNC LL0434 [2,0,0,0,0,0|0,0,2]=4 82 B5R0.2 CCCCSC HL0277 [2,0,0,0,0,0|1,0,1]=4 83 B5R0.2 CCCC[SnH]=O LQ5214 [2,0,0,0,0,0|1,1,0]=4 84 B5R0.2 CCCN=C=O LL0443 [2,0,0,0,0,0|0,1,0]=3 85 B5R0.2 CCCN=C=S HL0278 [2,0,0,0,0,0|0,0,0]=2 86 B5R0.2 O=C=NCCCl LT6514 [2,0,0,0,0,0|1,1,0]=4 87 B5R0.2 S=C=NCCBr HL0884 [2,0,0,0,0,0|1,0,0]=3 88 B5R0.2 S=C=NCCCl JZ2873 [2,0,0,0,0,0|1,0,0]=3 89 B7R0.2 CC(C)C[C@@H](N)CO LT4736 [1,1,0,0,0,0|0,1,1]=4 90 B7R0.2 CCC(C)CC(C)C XJ0315 [1,1,0,0,0,0|1,0,1]=4 91 B7R0.2 [C@@H](N)(CO)CC(C)C JZ1582 [1,1,0,0,0,0|0,1,1]=4 92 B7R0.3 CCCCC(C)CC HL0067 [1,1,0,0,0,0|1,0,1]=4 93 B7R0.5 CC(C)[C@H](C)N=C=O HL4545 [1,1,0,0,0,0|0,1,0]=3 94 B7R0.5 CCCC(O)C(C)C LQ1202 [1,1,0,0,0,0|1,0,1]=4 95 B7R0.6 CC(=O)CCC(C)C LL0404 [1,1,0,0,0,0|0,1,1]=4 96 B7R0.6 CC(C)CCC(=O)O XJ1215 [1,1,0,0,0,0|0,1,1]=4 97 B7R0.6 CC(C)CCC(C)C HL0113 [1,1,0,0,0,0|1,0,1]=4 98 B7R0.6 CC(C)CCC(C)N RT0214 [1,1,0,0,0,0|1,0,1]=4 99 B7R0.6 CC(C)CCC(C)O HL0260 [1,1,0,0,0,0|0,1,1]=4 100 B7R0.8 CCCCC(C)(C)Cl JZ2528 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.1 CCCCCN=C=O JZ2397 [1,1,0,0,0,0|0,1,0]=3 102 B7R0.1 [N-]=[N+]=NCCCCO RT18776 [1,1,0,0,0,0|2,0,0]=4 103 B7R1.2 CC1CCC(=O)C1 XJ1883 [1,0,0,1,0,0|0,1,1]=4 104 B7R1.3 CC1CCCCC1 LQ0421 [1,0,0,1,0,0|1,0,1]=4 105 B7R1.3 CC1CCNCC1 HL0233 [1,0,0,1,0,0|0,0,2]=4 106 B7R1.3 C[C@H]1CCCNC1 HL0232 [1,0,0,1,0,0|1,0,1]=4 107 B7R1.14 CC1(C)CCCO1 HL0572 [1,0,0,1,0,0|0,1,1]=4 108 B9R1.35 CC(C)[C@H]1CSC(=S)N1 LT5892 [0,1,0,1,0,0|1,0,1]=4