0 B11R0.4 CCCCCCCC(=O)OCC XJ0359 [0,0,0,0,0,0|2,0,0]=2 1 B11R0.4 CCCCCCOC(=O)CCC JZ2106 [0,0,0,0,0,0|0,0,0]=0 2 B11R0.4 CCCCC\C=C\C(=O)OCC JZ3092 [0,0,0,0,0,0|2,0,1]=3 3 B11R0.4 CCOC(=O)CCCCCCBr XJ4998 [0,0,0,0,0,0|3,0,0]=3 4 B11R0.4 CCOC(=O)CCCCCCN XJ5003 [0,0,0,0,0,0|3,0,0]=3 5 B11R0.4 C\C=C\C(=O)OCCCCCC JZ5288 [0,0,0,0,0,0|0,0,2]=2 6 B10R0.1 CCCCC#CC(=O)OCC JZ5167 [1,0,0,0,0,0|1,0,2]=4 7 B10R0.1 CCCCCOC(=O)CCC XJ0918 [1,0,0,0,0,0|0,0,0]=1 8 B10R0.1 CCOC(=O)CCCCCN XJ0704 [1,0,0,0,0,0|2,0,0]=3 9 B10R0.1 CCOCCOC(=O)CC#N XJ5113 [1,0,0,0,0,0|2,0,1]=4 10 B10R0.71 CCC#CCCCCCCC XJ5881 [1,0,0,0,0,0|1,0,2]=4 11 B10R0.71 CCCCCCC#CCCO LQ5236 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.71 CCCCCCCCCCC XJ1598 [1,0,0,0,0,0|1,0,1]=3 13 B10R0.71 CCCCCCCCCCCl HL0566 [1,0,0,0,0,0|2,0,1]=4 14 B10R0.71 CCCCCCCCCCI HL2088 [1,0,0,0,0,0|2,0,1]=4 15 B10R0.71 CCCCCCCCCCN XJ1998 [1,0,0,0,0,0|2,0,1]=4 16 B10R0.71 CCCCCSCCCCC XJ1414 [1,0,0,0,0,0|2,0,1]=4 17 B10R0.74 CCCCCCCC(=N)OC RT1143 [1,0,0,0,0,0|3,0,0]=4 18 B10R0.74 CCCCCCCC(=O)CC LQ1524 [1,0,0,0,0,0|1,0,0]=2 19 B10R0.74 CCCCCCCC(=O)OC XJ0374 [1,0,0,0,0,0|2,0,0]=3 20 B10R0.74 CCCCCCCC(O)CC JZ4657 [1,0,0,0,0,0|1,0,2]=4 21 B10R0.74 CCCCCCOC(=O)C=O RT0562 [1,0,0,0,0,0|1,0,1]=3 22 B10R0.74 CCCCCCOC(=O)CC XJ2189 [1,0,0,0,0,0|0,0,0]=1 23 B10R0.74 CCCCC\C=C\C(=O)OC JZ3091 [1,0,0,0,0,0|2,0,1]=4 24 B10R0.74 CCOCCCOC(O)CC LT5010 [1,0,0,0,0,0|1,0,2]=4 25 B10R0.74 COC(=O)CCCCCCN RT1454 [1,0,0,0,0,0|3,0,0]=4 26 B12R0.1 CCCCCCC#CC(=O)OCC LQ3380 [0,1,0,0,0,0|2,0,0]=3 27 B12R0.1 CCCCCCCCC(=O)OCC XJ0502 [0,1,0,0,0,0|2,0,0]=3 28 B12R0.1 CCCCCCCCC(O)CCC XJ3565 [0,1,0,0,0,0|1,0,2]=4 29 B12R0.49 CCCCCCOC(=O)C(C)CC LQ3383 [0,1,0,0,0,0|0,0,0]=1 30 B12R1.32 CCCC(=O)OC1CCNCC1 YH65327 [0,0,0,1,0,0|1,0,0]=2 31 B12R1.32 CCOC(=O)CC1CCOCC1 YH21998 [0,0,0,1,0,0|3,0,0]=4 32 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 YH66585 [0,0,0,1,0,0|3,0,0]=4 33 B12R1.51 CCCC(=O)OCC1CCCO1 LL1679 [0,0,0,1,0,0|1,0,0]=2 34 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1O YH09970 [0,0,0,1,0,0|3,0,0]=4 35 B12R1.372 CCCCCCC1=CCCC1=O LQ0270 [0,0,0,1,0,0|1,0,1]=3 36 B12R1.372 CCCCCCN1CCCC1=O JZ2638 [0,0,0,1,0,0|1,0,0]=2 37 B9R0.5 CCCCCC(=O)CCC XJ2740 [2,0,0,0,0,0|0,0,0]=2 38 B9R0.5 CCCCCC(O)CCC LQ2960 [2,0,0,0,0,0|0,0,2]=4 39 B9R0.5 CCCCOC(=O)CCC LQ0432 [2,0,0,0,0,0|0,0,0]=2 40 B9R0.5 CCCCOC(=O)CCS XJ4276 [2,0,0,0,0,0|1,0,0]=3 41 B9R0.5 CCOC(=O)CCCCN LQ4498 [2,0,0,0,0,0|2,0,0]=4 42 B9R0.45 CCCCCCCCCCl HL2250 [2,0,0,0,0,0|1,0,1]=4 43 B9R0.45 CCCCCCCCCI LQ2646 [2,0,0,0,0,0|1,0,1]=4 44 B9R0.45 CCCCCCCCCN XJ0441 [2,0,0,0,0,0|1,0,1]=4 45 B9R0.45 CCCCCCCCCO HL1569 [2,0,0,0,0,0|1,0,1]=4 46 B9R0.45 CCCCCCCCNC XJ2176 [2,0,0,0,0,0|1,0,1]=4 47 B9R0.45 CCCCCCCCSC LT5548 [2,0,0,0,0,0|1,0,1]=4 48 B9R0.45 CCCCCCOCCO XJ0443 [2,0,0,0,0,0|1,0,0]=3 49 B9R0.45 CCCCOCCCCO RT1173 [2,0,0,0,0,0|1,0,1]=4 50 B9R0.45 CC\C=C/CCCCCO LQ4878 [2,0,0,0,0,0|1,0,1]=4 51 B9R0.46 CCCCCCC(=O)CC LQ1506 [2,0,0,0,0,0|0,0,0]=2 52 B9R0.46 CCCCCCC(=O)NC LQ4481 [2,0,0,0,0,0|1,0,0]=3 53 B9R0.46 CCCCCCC(O)CC XJ1169 [2,0,0,0,0,0|0,0,2]=4 54 B9R0.46 CCCCCOC(=O)CC XJ1170 [2,0,0,0,0,0|0,0,0]=2 55 B9R0.2 CCCCCCCC(=O)[O-] HL2823 [2,0,0,0,0,0|2,0,0]=4 56 B9R0.2 CCCCCCCC(=O)[O-] HL4498 [2,0,0,0,0,0|2,0,0]=4 57 B9R0.2 CCCCCCCC(=O)[O-] LQ1024 [2,0,0,0,0,0|2,0,0]=4 58 B9R0.2 CCCCCCCC(C)=O LQ1471 [2,0,0,0,0,0|1,0,0]=3 59 B9R0.2 CCC\C=C\COC(C)=O HL2284 [2,0,0,0,0,0|0,0,2]=4 60 B9R0.2 CC\C=C/CCOC(C)=O XJ2549 [2,0,0,0,0,0|0,0,2]=4 61 B11R0.81 CCCCCCC(=O)OCCC JZ3261 [1,1,0,0,0,0|0,0,0]=2 62 B11R0.81 CCCCCCC(O)CCCC XJ5312 [1,1,0,0,0,0|0,0,2]=4 63 B11R0.142 CCCCCCC(O)C(C)CC LQ5331 [1,1,0,0,0,0|0,0,2]=4 64 B11R0.155 CCCCCC(O)C(C)CCC LL2595 [1,1,0,0,0,0|1,0,1]=4 65 B11R0.155 CCOC(=O)[C@@H](N)CCCCN JZ1458 [1,1,0,0,0,0|2,0,0]=4 66 B11R0.3 CCCCCCCCCCCBr LQ1339 [1,1,0,0,0,0|1,0,1]=4 67 B11R0.3 CCCCCCCCCCCC HL1389 [1,1,0,0,0,0|1,0,1]=4 68 B11R0.3 CCCCCCCCCCCI LQ2647 [1,1,0,0,0,0|1,0,1]=4 69 B11R0.3 CCCCCCCCCCCN LQ3242 [1,1,0,0,0,0|1,0,1]=4 70 B11R0.3 CCCCCCCCCCCO HL1391 [1,1,0,0,0,0|1,0,1]=4 71 B11R0.3 CCCCCCCCCCOC RT0580 [1,1,0,0,0,0|1,0,1]=4 72 B11R0.3 CCCCCCCCCCSC XJ4706 [1,1,0,0,0,0|1,0,1]=4 73 B11R0.140 CCCCCC(=O)OCCCC HL0238 [1,1,0,0,0,0|0,0,2]=4 74 B11R0.140 CCCCCC(O)CCCCC XJ4725 [1,1,0,0,0,0|1,0,1]=4 75 B11R0.42 CCCCCCCC(=O)N(C)C XJ1582 [1,1,0,0,0,0|2,0,0]=4 76 B11R0.42 CCCCCCOC(=O)C(C)C LQ2101 [1,1,0,0,0,0|0,0,0]=2 77 B11R0.42 CC\C=C/CCOC(=O)C(C)C XJ5439 [1,1,0,0,0,0|0,0,2]=4 78 B11R0.154 CCCCCC(O)CC(=O)OC RT1176 [1,1,0,0,0,0|2,0,0]=4 79 B13R0.2 CCCCCCC\C=C\C(=O)OCC JZ3093 [0,2,0,0,0,0|2,0,0]=4 80 B13R0.2 CCOC(=O)CCCCCCCCO RT0061 [0,2,0,0,0,0|2,0,0]=4 81 B13R0.367 CCOC(=O)CCCCC(Cl)CCCl XJ5426 [0,2,0,0,0,0|2,0,0]=4 82 B13R0.274 CCCCCCCC(=O)CC(=O)OC RT13869 [0,2,0,0,0,0|1,0,1]=4 83 B13R0.338 CCCCCCOC(=O)CCCCC JZ2950 [0,2,0,0,0,0|0,0,0]=2 84 B13R0.338 CC\C=C/CCOC(=O)CCCCC LQ4723 [0,2,0,0,0,0|0,0,2]=4 85 B11R1.16 CCOC(=O)C1CCCCC1 XJ2441 [1,0,0,1,0,0|1,0,0]=3 86 B11R1.16 CCOC(=O)C1CCCCN1 YH37453 [1,0,0,1,0,0|2,0,0]=4 87 B11R1.16 CCOC(=O)C1CCCNC1 LT7804 [1,0,0,1,0,0|2,0,0]=4 88 B11R1.16 CCOC(=O)C1CCNCC1 HL3572 [1,0,0,1,0,0|2,0,0]=4 89 B11R1.16 CCOC(=O)C1CCNCC1 JZ1461 [1,0,0,1,0,0|2,0,0]=4 90 B11R1.16 CCOC(=O)N1CCCCC1 RT15518 [1,0,0,1,0,0|2,0,0]=4 91 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 YH66560 [1,0,0,1,0,0|2,0,0]=4 92 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 LT0510 [1,0,0,1,0,0|2,0,0]=4 93 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 YH38909 [1,0,0,1,0,0|2,0,0]=4 94 B11R1.16 CCOC(=O)[C@H]1CCCNC1 YH57937 [1,0,0,1,0,0|2,0,0]=4 95 B11R1.24 CCCCC1CCCC(=O)O1 XJ2453 [1,0,0,1,0,0|0,0,0]=2 96 B11R1.24 CCCCC1CCCC(=O)O1 XJ6789 [1,0,0,1,0,0|0,0,0]=2 97 B11R1.30 CCOC(=O)CC1CCCO1 RT15058 [1,0,0,1,0,0|2,0,0]=4 98 B11R1.180 CCCCCC1CCCC1=O JZ2624 [1,0,0,1,0,0|0,0,0]=2 99 B11R1.28 CCCCCC1CCCCC1 LQ2653 [1,0,0,1,0,0|1,0,1]=4 100 B11R1.25 CCC(=O)OCC1CCCO1 JZ1777 [1,0,0,1,0,0|1,0,0]=3 101 B13R1.6 CCCCCCC1CCCC(=O)O1 JZ4144 [0,1,0,1,0,0|0,0,0]=2 102 B13R1.654 CCCCCCCC1CCCC1=O LL0577 [0,1,0,1,0,0|1,0,0]=3 103 B13R1.348 CC(Cl)OC(=O)OC1CCCCC1 LT2045 [0,1,0,1,0,0|1,0,0]=3 104 B13R1.348 CC(I)OC(=O)OC1CCCCC1 YH21702 [0,1,0,1,0,0|1,0,0]=3 105 B13R1.44 O=C(NCCO)NC1CCCCC1 LT5741 [0,1,0,1,0,0|2,0,0]=4