0 B11R0.40 CCCCCCC#CC(=O)OC XJ0417 [0,0,0,0,0,0|0,0,0]=0 1 B11R0.40 COC(=O)CCCCCCCBr JZ5708 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.4 CCCCCCCCC(=O)Cl XJ1343 [1,0,0,0,0,0|1,0,2]=4 3 B10R0.4 CCCCCCCOC(=O)Cl LQ4802 [1,0,0,0,0,0|2,0,1]=4 4 B10R0.4 CCCCCCCOC(C)=O XJ0432 [1,0,0,0,0,0|1,0,1]=3 5 B10R0.4 NCCCCCCCC(=O)O HL0564 [1,0,0,0,0,0|1,0,2]=4 6 B10R0.4 NCCCCCCNC(=O)O HL1567 [1,0,0,0,0,0|2,0,1]=4 7 B10R0.4 O=C(O)CCCCCCCBr LQ4065 [1,0,0,0,0,0|1,0,2]=4 8 B10R0.4 O=C(O)CCCCCCCO YH17816 [1,0,0,0,0,0|1,0,2]=4 9 B10R0.71 CCC#CCCCCCCC XJ5881 [1,0,0,0,0,0|1,0,2]=4 10 B10R0.71 CCCCCCC#CCCO LQ5236 [1,0,0,0,0,0|2,0,1]=4 11 B10R0.74 CCCCCCCC(=N)OC RT1143 [1,0,0,0,0,0|1,0,1]=3 12 B10R0.74 CCCCCCCC(=O)CC LQ1524 [1,0,0,0,0,0|1,0,1]=3 13 B10R0.74 CCCCCCCC(=O)OC XJ0374 [1,0,0,0,0,0|0,0,1]=2 14 B10R0.74 CCCCCCOC(=O)C=O RT0562 [1,0,0,0,0,0|3,0,0]=4 15 B10R0.74 CCCCCCOC(=O)CC XJ2189 [1,0,0,0,0,0|2,0,0]=3 16 B10R0.74 CCCCC\C=C\C(=O)OC JZ3091 [1,0,0,0,0,0|0,0,2]=3 17 B10R0.74 CCCC\C=C\CC(=O)OC CJ3120 [1,0,0,0,0,0|0,0,3]=4 18 B10R0.74 COC(=O)CCCCCCN RT1454 [1,0,0,0,0,0|1,0,1]=3 19 B12R0.1 CCCCCCC#CC(=O)OCC LQ3380 [0,1,0,0,0,0|0,0,0]=1 20 B12R0.1 CCCCCCCCC(=O)OCC XJ0502 [0,1,0,0,0,0|0,0,2]=3 21 B12R0.248 CCCCCCCCCC(=O)OC LL0419 [0,1,0,0,0,0|0,0,2]=3 22 B12R0.248 COC(=O)CCCCCCCCO RT0164 [0,1,0,0,0,0|0,0,2]=3 23 B9R0.2 CCCCCC#CC(=O)O XJ2930 [2,0,0,0,0,0|0,0,0]=2 24 B9R0.2 CCCCCCCC(=O)[O-] HL2823 [2,0,0,0,0,0|0,0,2]=4 25 B9R0.2 CCCCCCCC(=O)[O-] HL4498 [2,0,0,0,0,0|0,0,2]=4 26 B9R0.2 CCCCCCCC(=O)[O-] LQ1024 [2,0,0,0,0,0|0,0,2]=4 27 B9R0.2 CCCCCCCC(C)=O LQ1471 [2,0,0,0,0,0|0,0,1]=3 28 B9R0.2 O=C(O)CCCCCCBr YH53191 [2,0,0,0,0,0|1,0,1]=4 29 B9R0.2 O=C(O)CCCCCCO RT17679 [2,0,0,0,0,0|1,0,1]=4 30 B9R0.45 CCCCCCC#CCO LQ2951 [2,0,0,0,0,0|0,0,1]=3 31 B9R0.45 CCCCCC\C=C\C=O LQ4109 [2,0,0,0,0,0|0,0,2]=4 32 B9R0.46 CCCCCCC(=O)CC LQ1506 [2,0,0,0,0,0|1,0,0]=3 33 B9R0.46 CCCCCCC(=O)NC LQ4481 [2,0,0,0,0,0|1,0,0]=3 34 B9R0.46 CCCCCOC(=O)CC XJ1170 [2,0,0,0,0,0|2,0,0]=4 35 B11R0.2 CCCCCCC(O)CC(=O)O RT0582 [1,1,0,0,0,0|0,0,2]=4 36 B11R0.30 CC(=O)OCCCCCC(C)C LQ4734 [1,1,0,0,0,0|1,0,1]=4 37 B11R0.148 CCCCCCCC[13CH2][13C](=O)O RT0583 [1,1,0,0,0,0|0,0,2]=4 38 B11R0.148 CCCCCC\C=C\CC(=O)O LQ5284 [1,1,0,0,0,0|0,0,2]=4 39 B11R0.148 O=C(O)CCCCCCCCBr YH00394 [1,1,0,0,0,0|0,0,2]=4 40 B11R0.148 O=C(O)CCCCCCCCO RT17536 [1,1,0,0,0,0|0,0,2]=4 41 B11R0.154 CCCCCC(O)CC(=O)OC RT1176 [1,1,0,0,0,0|0,0,1]=3 42 B13R0.2 CCCCCCC\C=C\C(=O)OCC JZ3093 [0,2,0,0,0,0|0,0,2]=4 43 B13R0.2 CCOC(=O)CCCCCCCCO RT0061 [0,2,0,0,0,0|0,0,2]=4 44 B13R0.274 CCCCCCCC(=O)CC(=O)OC RT13869 [0,2,0,0,0,0|0,0,2]=4 45 B13R0.274 CCCCCCCC(O)CC(=O)OC RT0619 [0,2,0,0,0,0|0,0,2]=4 46 B13R0.274 CCCCCCC[C@@H](O)CC(=O)OC RT13908 [0,2,0,0,0,0|0,0,2]=4 47 B13R0.147 CCCCCCCCCCC(=O)OC JZ4733 [0,2,0,0,0,0|0,0,2]=4 48 B11R1.24 CCCCC1CCCC(=O)O1 XJ2453 [1,0,0,1,0,0|0,0,2]=4 49 B11R1.24 CCCCC1CCCC(=O)O1 XJ6789 [1,0,0,1,0,0|0,0,2]=4 50 B11R1.78 CCCCCCC1CC(=O)C1 YH66080 [1,0,0,1,0,0|0,0,2]=4 51 B11R1.91 O=C(O)CCC1CCCCC1 JZ4115 [1,0,0,1,0,0|0,0,2]=4 52 B11R1.742 O=C(O)CC1CCCCCC1 JZ2531 [1,0,0,1,0,0|0,0,2]=4 53 B11R1.25 COC(=O)CNC1CCCC1 YH43577 [1,0,0,1,0,0|1,0,1]=4 54 B11R1.40 COC(=O)CC1CCNCC1 YH19851 [1,0,0,1,0,0|1,0,1]=4 55 B11R1.40 COC(=O)CC1CCNCC1 YH39158 [1,0,0,1,0,0|1,0,1]=4 56 B11R1.40 COC(=O)C[C@@H]1CCCNC1 YH98124 [1,0,0,1,0,0|1,0,1]=4 57 B11R1.40 COC(=O)C[C@H]1CCCNC1 YH90648 [1,0,0,1,0,0|1,0,1]=4 58 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N YH66191 [1,0,0,1,0,0|1,0,1]=4 59 B13R1.1843 COC(=O)C1(N)CCCCCCC1 YH41876 [0,1,0,1,0,0|0,0,2]=4