0 B11R0.46 CCCCCC(=O)NCC(=O)O RT0380 [0,0,0,0,0,0|2,0,1]=3 1 B11R0.46 CCCCCN(C)CCC(=O)O RT0386 [0,0,0,0,0,0|1,0,0]=1 2 B11R0.46 CCCCOC(=O)CCC(C)=O LT4350 [0,0,0,0,0,0|3,0,1]=4 3 B10R0.4 CCCCCCCCC(=O)Cl XJ1343 [1,0,0,0,0,0|1,0,0]=2 4 B10R0.4 CCCCCCCCC(C)O XJ1596 [1,0,0,0,0,0|1,0,1]=3 5 B10R0.4 CCCCCCCCN(C)C JZ3098 [1,0,0,0,0,0|3,0,0]=4 6 B10R0.4 CCCCCCCOC(=O)Cl LQ4802 [1,0,0,0,0,0|2,0,0]=3 7 B10R0.4 CCCCCCCOC(C)=O XJ0432 [1,0,0,0,0,0|2,0,0]=3 8 B10R0.4 NCCCCCCCC(=O)O HL0564 [1,0,0,0,0,0|1,0,0]=2 9 B10R0.4 NCCCCCCNC(=O)O HL1567 [1,0,0,0,0,0|2,0,0]=3 10 B10R0.4 O=C(O)CCCCCCCBr LQ4065 [1,0,0,0,0,0|1,0,0]=2 11 B10R0.4 O=C(O)CCCCCCCO YH17816 [1,0,0,0,0,0|1,0,0]=2 12 B12R0.255 CCCCCCC(=O)NCC(=O)O RT5451 [0,1,0,0,0,0|2,0,1]=4 13 B12R0.255 CCCCOCC(C)OCC(C)O LT5110 [0,1,0,0,0,0|2,0,1]=4 14 B10R0.6 CCCCCC(O)CC(=O)O XJ4061 [0,0,0,0,1,0|1,0,0]=2 15 B9R0.2 CCCCCC#CC(=O)O XJ2930 [2,0,0,0,0,0|0,0,2]=4 16 B9R0.2 CCCCCCCC(=O)[O-] HL2823 [2,0,0,0,0,0|0,0,1]=3 17 B9R0.2 CCCCCCCC(=O)[O-] HL4498 [2,0,0,0,0,0|0,0,1]=3 18 B9R0.2 CCCCCCCC(=O)[O-] LQ1024 [2,0,0,0,0,0|0,0,1]=3 19 B9R0.2 CCCCCCCC(C)=O LQ1471 [2,0,0,0,0,0|1,0,0]=3 20 B9R0.2 CCCCCCCC(C)O LQ1241 [2,0,0,0,0,0|1,0,1]=4 21 B9R0.2 O=C(O)CCCCCCBr YH53191 [2,0,0,0,0,0|1,0,0]=3 22 B9R0.2 O=C(O)CCCCCCO RT17679 [2,0,0,0,0,0|1,0,0]=3 23 B9R0.45 C#CCCCCCCCC XJ1344 [2,0,0,0,0,0|1,0,1]=4 24 B9R0.45 C=CCCCCCCCC XJ1413 [2,0,0,0,0,0|1,0,0]=3 25 B9R0.45 CCCCCCCCCCl HL2250 [2,0,0,0,0,0|1,0,1]=4 26 B9R0.45 CCCCCCCCCI LQ2646 [2,0,0,0,0,0|1,0,1]=4 27 B9R0.45 CCCCCCCCCN XJ0441 [2,0,0,0,0,0|1,0,1]=4 28 B9R0.45 CCCCCCCCCO HL1569 [2,0,0,0,0,0|0,0,1]=3 29 B9R0.45 CCCCCCCCNC XJ2176 [2,0,0,0,0,0|2,0,0]=4 30 B9R0.45 CCCCCCCCSC LT5548 [2,0,0,0,0,0|2,0,0]=4 31 B9R0.45 CCCCCCCN=C=O JZ2577 [2,0,0,0,0,0|1,0,1]=4 32 B9R0.45 CCCCCCOCCO XJ0443 [2,0,0,0,0,0|1,0,1]=4 33 B9R0.45 CCCCCC\C=C\C=O LQ4109 [2,0,0,0,0,0|0,0,2]=4 34 B9R0.45 CCCCOCCCCO RT1173 [2,0,0,0,0,0|1,0,1]=4 35 B9R0.45 OCCCCCCCCCl LQ4379 [2,0,0,0,0,0|1,0,1]=4 36 B9R0.45 OCCCCCCCCO LQ1257 [2,0,0,0,0,0|1,0,1]=4 37 B9R0.48 CCCC(C)CCC(C)=O LQ5431 [2,0,0,0,0,0|1,0,0]=3 38 B9R0.5 CCCCCC(O)CCC LQ2960 [2,0,0,0,0,0|1,0,1]=4 39 B11R0.2 CCCCCCC(O)CC(=O)O RT0582 [1,1,0,0,0,0|0,0,0]=2 40 B11R0.30 CC(=O)NCCCCCC(=O)O LQ0010 [1,1,0,0,0,0|1,0,1]=4 41 B11R0.30 CC(=O)OCCCCCC(C)C LQ4734 [1,1,0,0,0,0|2,0,0]=4 42 B11R0.30 CC(C)\C=C/CCCCC(=O)O RT0249 [1,1,0,0,0,0|0,0,2]=4 43 B11R0.30 O=C(O)CCCCCCC(=O)O HL1863 [1,1,0,0,0,0|1,0,1]=4 44 B11R0.40 CCCCCCC#CC(=O)OC XJ0417 [1,1,0,0,0,0|0,0,2]=4 45 B11R0.40 CCCCCCCCC(C)C=O JZ5272 [1,1,0,0,0,0|1,0,1]=4 46 B11R0.40 COC(=O)CCCCCCCBr JZ5708 [1,1,0,0,0,0|1,0,0]=3 47 B11R0.42 CCCCSCCC(N)C(=O)O RT5768 [1,1,0,0,0,0|1,0,0]=3 48 B11R0.42 CCCCSCCC(N)C(=O)O RT5769 [1,1,0,0,0,0|1,0,0]=3 49 B11R0.42 CCCCSCCC(N)C(=O)O RT5784 [1,1,0,0,0,0|1,0,0]=3 50 B11R0.148 C=CCCCCCCCC(=O)O YH34815 [1,1,0,0,0,0|0,0,1]=3 51 B11R0.148 CCCCCCCCOC(=O)Cl XJ3315 [1,1,0,0,0,0|1,0,0]=3 52 B11R0.148 CCCCCCCCOC(=S)[S-] RT16055 [1,1,0,0,0,0|0,2,0]=4 53 B11R0.148 CCCCCCCC[13CH2][13C](=O)O RT0583 [1,1,0,0,0,0|0,0,0]=2 54 B11R0.148 CCCCCC\C=C\CC(=O)O LQ5284 [1,1,0,0,0,0|0,0,1]=3 55 B11R0.148 COCCOCCOCC(=O)O XJ4209 [1,1,0,0,0,0|2,0,0]=4 56 B11R0.148 O=C(O)CCCCCCCCBr YH00394 [1,1,0,0,0,0|0,0,0]=2 57 B11R0.148 O=C(O)CCCCCCCCO RT17536 [1,1,0,0,0,0|0,0,0]=2 58 B11R0.148 O=CCCCCCCCC(=O)O YH65123 [1,1,0,0,0,0|0,0,1]=3 59 B11R0.159 CCCCCCCCS(=O)(=O)[O-] JZ2712 [1,1,0,0,0,0|1,0,1]=4 60 B11R0.164 CCCCC(CC)COC(=O)Cl LT1731 [1,1,0,0,0,0|2,0,0]=4 61 B11R0.6 CC(C)=CCCC(C)CC(=O)O XJ0859 [0,1,0,0,1,0|0,0,2]=4 62 B11R1.24 CCCCC1CCCC(=O)O1 XJ2453 [1,0,0,1,0,0|0,0,0]=2 63 B11R1.24 CCCCC1CCCC(=O)O1 XJ6789 [1,0,0,1,0,0|0,0,0]=2 64 B11R1.78 CCCCCCC1CC(=O)C1 YH66080 [1,0,0,1,0,0|1,0,0]=3 65 B11R1.86 CC1CNCCC1CC(=O)O YH93177 [1,0,0,1,0,0|1,0,0]=3 66 B11R1.91 O=C(O)CCC1CCCCC1 JZ4115 [1,0,0,1,0,0|0,0,0]=2 67 B11R1.91 O=C(O)CCC1CCCCN1 YH00285 [1,0,0,1,0,0|1,0,0]=3 68 B11R1.91 O=C(O)CCC1CCCNC1 YH41668 [1,0,0,1,0,0|1,0,0]=3 69 B11R1.91 O=C(O)CCN1CCCCC1 LQ4503 [1,0,0,1,0,0|1,0,0]=3 70 B11R1.99 CCCCCCCCC1CO1 JZ2007 [1,0,0,1,0,0|1,0,1]=4 71 B11R1.172 O=C(O)CCCN1CCCC1 YH03399 [1,0,0,1,0,0|1,0,0]=3 72 B11R1.742 O=C(O)CC1CCCCCC1 JZ2531 [1,0,0,1,0,0|0,0,0]=2 73 B11R1.713 CC1(CCC(=O)O)OCCO1 RT0092 [1,0,0,1,0,0|2,0,0]=4 74 B11R1.28 CCCCCC1CCCCC1 LQ2653 [1,0,0,1,0,0|1,0,1]=4 75 B13R2.5187 CC1CCC2C(=O)OC(=O)C2C1 XJ4832 [0,0,0,2,0,0|1,0,1]=4 76 B9R0.47 CCSCC[C@H](N)C(=O)O RT5770 [0,0,0,0,2,0|2,0,0]=4 77 B9R0.47 NCCCCC(N)C(=O)O JZ1418 [0,0,0,0,2,0|2,0,0]=4 78 B9R0.47 NCCCCC(N)C(=O)O JZ1419 [0,0,0,0,2,0|2,0,0]=4 79 B9R0.47 NCCCC[C@@H](N)C(=O)O JZ1430 [0,0,0,0,2,0|2,0,0]=4 80 B9R0.47 NCCCC[C@H](N)C(=O)O JZ0474 [0,0,0,0,2,0|2,0,0]=4 81 B9R0.47 NCCCC[C@H](N)C(=O)O JZ1624 [0,0,0,0,2,0|2,0,0]=4 82 B9R0.47 NCCCC[C@H](N)C(=O)O RT5744 [0,0,0,0,2,0|2,0,0]=4 83 B9R0.47 N[C@@H](CCCCO)C(=O)O RT5052 [0,0,0,0,2,0|2,0,0]=4