0 B10R0.74 CCCCCCCC(=N)OC RT1143 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.74 CCCCCCCC(=O)CC LQ1524 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.74 CCCCCCCC(=O)OC XJ0374 [0,0,0,0,0,0|0,0,2]=2 3 B10R0.74 CCCCCCOC(=O)C=O RT0562 [0,0,0,0,0,0|3,0,1]=4 4 B10R0.74 CCCCCCOC(=O)CC XJ2189 [0,0,0,0,0,0|2,0,1]=3 5 B10R0.74 CCCCC\C=C\C(=O)OC JZ3091 [0,0,0,0,0,0|0,0,2]=2 6 B10R0.74 CCCC\C=C\CC(=O)OC CJ3120 [0,0,0,0,0,0|0,0,3]=3 7 B10R0.74 COC(=O)CCCCCCN RT1454 [0,0,0,0,0,0|1,0,2]=3 8 B9R0.2 CCCCCC#CC(=O)O XJ2930 [1,0,0,0,0,0|0,0,0]=1 9 B9R0.2 CCCCCCCC(=O)[O-] HL2823 [1,0,0,0,0,0|0,0,3]=4 10 B9R0.2 CCCCCCCC(=O)[O-] HL4498 [1,0,0,0,0,0|0,0,3]=4 11 B9R0.2 CCCCCCCC(=O)[O-] LQ1024 [1,0,0,0,0,0|0,0,3]=4 12 B9R0.2 CCCCCCCC(C)=O LQ1471 [1,0,0,0,0,0|0,0,2]=3 13 B9R0.2 O=C(O)CCCCCCBr YH53191 [1,0,0,0,0,0|1,0,2]=4 14 B9R0.2 O=C(O)CCCCCCO RT17679 [1,0,0,0,0,0|1,0,2]=4 15 B9R0.45 CCCCCC#CCCO LQ4704 [1,0,0,0,0,0|2,0,1]=4 16 B9R0.46 CCCCCCC(=O)CC LQ1506 [1,0,0,0,0,0|1,0,1]=3 17 B9R0.46 CCCCCCC(=O)NC LQ4481 [1,0,0,0,0,0|1,0,1]=3 18 B9R0.46 CCCCCOC(=O)CC XJ1170 [1,0,0,0,0,0|2,0,0]=3 19 B11R0.4 CCCCCCCC(=O)OCC XJ0359 [0,1,0,0,0,0|0,0,2]=3 20 B11R0.4 CCCCCCOC(=O)CCC JZ2106 [0,1,0,0,0,0|2,0,1]=4 21 B11R0.4 CCCCC\C=C\C(=O)OCC JZ3092 [0,1,0,0,0,0|0,0,2]=3 22 B11R0.4 CCOC(=O)CCCCCCBr XJ4998 [0,1,0,0,0,0|1,0,2]=4 23 B11R0.4 CCOC(=O)CCCCCCN XJ5003 [0,1,0,0,0,0|1,0,2]=4 24 B11R0.4 C\C=C\C(=O)OCCCCCC JZ5288 [0,1,0,0,0,0|2,0,1]=4 25 B11R0.40 CCCCCCC#CC(=O)OC XJ0417 [0,1,0,0,0,0|0,0,0]=1 26 B11R0.40 COC(=O)CCCCCCCBr JZ5708 [0,1,0,0,0,0|0,0,2]=3 27 B11R0.42 CCCCCCCC(=O)N(C)C XJ1582 [0,1,0,0,0,0|1,0,2]=4 28 B11R0.42 CCCCCCOC(=O)C(C)C LQ2101 [0,1,0,0,0,0|2,0,1]=4 29 B11R0.154 CCCCCC(O)CC(=O)OC RT1176 [0,1,0,0,0,0|0,0,2]=3 30 B11R1.25 COC(=O)CNC1CCCC1 YH43577 [0,0,0,1,0,0|1,0,1]=3 31 B11R1.40 COC(=O)CC1CCNCC1 YH19851 [0,0,0,1,0,0|1,0,2]=4 32 B11R1.40 COC(=O)CC1CCNCC1 YH39158 [0,0,0,1,0,0|1,0,2]=4 33 B11R1.40 COC(=O)C[C@@H]1CCCNC1 YH98124 [0,0,0,1,0,0|1,0,2]=4 34 B11R1.40 COC(=O)C[C@H]1CCCNC1 YH90648 [0,0,0,1,0,0|1,0,2]=4 35 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N YH66191 [0,0,0,1,0,0|1,0,2]=4 36 B11R1.852 COC(=O)C1CNCCCN1 YH65450 [0,0,0,1,0,0|2,0,1]=4 37 B8R0.4 CCCCCC#CCO XJ4574 [2,0,0,0,0,0|0,0,1]=3 38 B8R0.7 CC(=O)OCCCCCl LT2385 [2,0,0,0,0,0|2,0,0]=4 39 B8R0.7 CC(=O)OCCCCI LQ5055 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.7 CCCCCCC(=O)O XJ0376 [2,0,0,0,0,0|0,0,1]=3 41 B8R0.7 CCCCCOC(C)=O HL0284 [2,0,0,0,0,0|1,0,0]=3 42 B8R0.7 CCCCOCC(=O)O HL2310 [2,0,0,0,0,0|1,0,1]=4 43 B8R0.7 CCCC\C=C\C(C)=O XJ4452 [2,0,0,0,0,0|0,0,2]=4 44 B8R0.7 CSCCCOC(C)=O LQ3932 [2,0,0,0,0,0|2,0,0]=4 45 B8R0.7 NCCCCCC(=O)O JZ1196 [2,0,0,0,0,0|1,0,1]=4 46 B8R0.7 NCCCCCC(=O)O RT0574 [2,0,0,0,0,0|1,0,1]=4 47 B8R0.7 O=C(O)CCCCCBr HL2738 [2,0,0,0,0,0|1,0,1]=4 48 B8R0.7 O=C(O)CCCCCCl LT3590 [2,0,0,0,0,0|1,0,1]=4 49 B8R0.7 O=C(O)CCCCCO JZ4450 [2,0,0,0,0,0|1,0,1]=4 50 B8R0.6 CCCCCC(=O)CC HL1322 [2,0,0,0,0,0|1,0,0]=3 51 B8R0.6 CCCCCC(=O)OC HL1324 [2,0,0,0,0,0|0,0,0]=2 52 B8R0.6 CCC\C=C\C(=O)OC JZ1988 [2,0,0,0,0,0|0,0,2]=4 53 B8R0.6 COC(=O)CCCC=O YH09376 [2,0,0,0,0,0|1,0,1]=4 54 B8R0.6 COC(=O)CCCCCl XJ4043 [2,0,0,0,0,0|1,0,0]=3 55 B8R0.6 COC(=O)CCCCO RT18638 [2,0,0,0,0,0|1,0,0]=3 56 B8R0.6 COC(=O)COCCCl XJ6460 [2,0,0,0,0,0|2,0,0]=4 57 B10R0.4 CCCCCCCOC(C)=O XJ0432 [1,1,0,0,0,0|0,0,2]=4 58 B10R0.4 NCCCCCCCC(=O)O HL0564 [1,1,0,0,0,0|0,0,2]=4 59 B10R0.4 NCCCCCCNC(=O)O HL1567 [1,1,0,0,0,0|1,0,1]=4 60 B10R0.4 O=C(O)CCCCCCCBr LQ4065 [1,1,0,0,0,0|0,0,2]=4 61 B10R0.4 O=C(O)CCCCCCCO YH17816 [1,1,0,0,0,0|0,0,2]=4 62 B10R0.6 CCCCCC(O)CC(=O)O XJ4061 [1,1,0,0,0,0|0,0,2]=4 63 B10R0.75 CCCCCCC(O)C(=O)O LQ1207 [1,1,0,0,0,0|0,0,2]=4 64 B10R0.97 CC(C)CCCCCC(=O)O JZ5722 [1,1,0,0,0,0|0,0,2]=4 65 B10R0.83 COC(=O)C(N)CCCCN JZ1661 [1,1,0,0,0,0|1,0,1]=4 66 B10R0.83 COC(=O)[C@H](N)CCCCN YH66174 [1,1,0,0,0,0|1,0,1]=4 67 B12R0.1 CCCCCCC#CC(=O)OCC LQ3380 [0,2,0,0,0,0|0,0,0]=2 68 B12R0.1 CCCCCCCCC(=O)OCC XJ0502 [0,2,0,0,0,0|0,0,2]=4 69 B12R0.248 CCCCCCCCCC(=O)OC LL0419 [0,2,0,0,0,0|0,0,2]=4 70 B12R0.248 COC(=O)CCCCCCCCO RT0164 [0,2,0,0,0,0|0,0,2]=4 71 B10R1.10 CCCC1CCCC(=O)O1 LQ1386 [1,0,0,1,0,0|0,0,2]=4 72 B10R1.18 CC(=O)CC1CCCCC1 LL0342 [1,0,0,1,0,0|0,0,2]=4 73 B10R1.18 O=C(O)CC1CCCCC1 JZ2678 [1,0,0,1,0,0|0,0,2]=4 74 B10R1.61 CC1CCCCC1C(=O)O LT5851 [1,0,0,1,0,0|0,0,2]=4 75 B10R1.61 C[C@H]1CCCN[C@H]1C(=O)O YH29336 [1,0,0,1,0,0|1,0,1]=4 76 B10R1.66 O=C(O)CCC1CCCC1 RT12350 [1,0,0,1,0,0|0,0,2]=4 77 B10R1.78 O=C1CCCCCCCN1 JZ4295 [1,0,0,1,0,0|1,0,1]=4 78 B10R1.348 O=C(O)C1CCCCCC1 HL0836 [1,0,0,1,0,0|0,0,2]=4 79 B10R1.348 O=C(O)C1CCCCCN1 YH05142 [1,0,0,1,0,0|1,0,1]=4 80 B10R1.1 CCCC1CCC(=O)CC1 LQ5064 [1,0,0,1,0,0|1,0,1]=4 81 B10R1.15 CCC(=O)C1CCCCC1 HL0671 [1,0,0,1,0,0|1,0,1]=4 82 B10R1.15 COC(=O)C1=CCCCC1 YH42043 [1,0,0,1,0,0|0,0,2]=4 83 B10R1.15 COC(=O)C1CCCCC1 RT0241 [1,0,0,1,0,0|0,0,1]=3 84 B10R1.15 COC(=O)C1CCCCN1 YH00803 [1,0,0,1,0,0|1,0,1]=4 85 B10R1.15 COC(=O)C1CCCNC1 LT0511 [1,0,0,1,0,0|1,0,1]=4 86 B10R1.15 COC(=O)C1CCCNC1 YH04054 [1,0,0,1,0,0|1,0,1]=4 87 B10R1.15 COC(=O)C1CCNCC1 LT5901 [1,0,0,1,0,0|1,0,1]=4 88 B10R1.15 COC(=O)C1CCOCC1 LL1859 [1,0,0,1,0,0|1,0,1]=4 89 B10R1.15 COC(=O)[C@@H]1CCCCN1 LT0320 [1,0,0,1,0,0|1,0,1]=4 90 B10R1.15 COC(=O)[C@@H]1CCCCN1 YH56731 [1,0,0,1,0,0|1,0,1]=4 91 B10R1.27 COC(=O)C=C1CCCC1 LQ4997 [1,0,0,1,0,0|0,0,2]=4 92 B10R1.27 COC(=O)CC1CCCC1 XJ2279 [1,0,0,1,0,0|0,0,1]=3 93 B10R1.27 COC(=O)C[C@@H]1CCNC1 YH66282 [1,0,0,1,0,0|1,0,1]=4 94 B10R1.27 COC(=O)C[C@H]1CCNC1 YH66281 [1,0,0,1,0,0|1,0,1]=4 95 B12R2.2918 O=C1CC2(CCCCC2)CO1 RT15449 [0,0,0,2,0,0|0,0,2]=4