0 B10R0.3 CCOC(=O)CCCC(=O)O LQ1638 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.1 COC(=O)CCCC(=O)Cl LQ1781 [1,0,0,0,0,0|2,0,0]=3 2 B9R0.1 COC(=O)CCC[N+](=O)[O-] RT1112 [1,0,0,0,0,0|2,0,1]=4 3 B9R0.1 O=C(O)CCNC(=O)CBr RT5655 [1,0,0,0,0,0|2,0,0]=3 4 B9R0.2 CCCCCC#CC(=O)O XJ2930 [1,0,0,0,0,0|0,0,3]=4 5 B9R0.2 CCCCCCCC(=O)[O-] HL2823 [1,0,0,0,0,0|0,0,2]=3 6 B9R0.2 CCCCCCCC(=O)[O-] HL4498 [1,0,0,0,0,0|0,0,2]=3 7 B9R0.2 CCCCCCCC(=O)[O-] LQ1024 [1,0,0,0,0,0|0,0,2]=3 8 B9R0.2 CCCCCCCC(C)=O LQ1471 [1,0,0,0,0,0|1,0,1]=3 9 B9R0.2 CCCCCCCC(C)O LQ1241 [1,0,0,0,0,0|1,0,2]=4 10 B9R0.2 CCC\C=C\COC(C)=O HL2284 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.2 CC\C=C/CCOC(C)=O XJ2549 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.2 NCCSSCCC(=O)O RT4042 [1,0,0,0,0,0|3,0,0]=4 13 B9R0.2 O=C(O)CCCCCCBr YH53191 [1,0,0,0,0,0|1,0,1]=3 14 B9R0.2 O=C(O)CCCCCCO RT17679 [1,0,0,0,0,0|1,0,1]=3 15 B9R0.2 O=C(O)CCSSCCO RT19778 [1,0,0,0,0,0|3,0,0]=4 16 B9R0.5 CCCCCC(=O)CCC XJ2740 [1,0,0,0,0,0|1,0,1]=3 17 B9R0.5 CCCCOC(=O)CCC LQ0432 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.5 CCOC(=O)CCCCN LQ4498 [1,0,0,0,0,0|2,0,1]=4 19 B9R0.5 CCOC(=O)CCN=C=O HL2905 [1,0,0,0,0,0|2,0,1]=4 20 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O JZ0662 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.15 CCOC(=O)N1CCC(=O)C1 YH35729 [0,0,0,1,0,0|3,0,0]=4 22 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 YH15335 [0,0,0,1,0,0|2,0,0]=3 23 B11R1.15 CCSC(=O)[C@@H]1CCC(=O)N1 RT15580 [0,0,0,1,0,0|2,0,0]=3 24 B11R1.64 CCN1C(=O)CC[C@H]1C(=O)O SY0028 [0,0,0,1,0,0|1,0,0]=2 25 B11R1.172 O=C(O)CCCN1CCCC1 YH03399 [0,0,0,1,0,0|2,0,0]=3 26 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)O YH40606 [0,0,0,1,0,0|1,0,0]=2 27 B9R0.48 CCCC(=O)NCC(=O)O RT5454 [0,0,0,0,1,0|1,0,0]=2 28 B9R0.48 CCCC(C)CCC(C)=O LQ5431 [0,0,0,0,1,0|2,0,1]=4 29 B9R0.48 CCOC(=O)CNC(C)=O LQ2002 [0,0,0,0,1,0|3,0,0]=4 30 B9R0.48 CCOC(=O)\C=C/C(=O)O RT18747 [0,0,0,0,1,0|1,0,2]=4 31 B11R0.176 CCOC(=O)CCCCC(=O)Cl YH66699 [0,0,0,0,0,1|2,0,0]=3 32 B11R0.176 CCOC(=O)CCCOC(C)=O RT17506 [0,0,0,0,0,1|2,0,0]=3 33 B8R0.6 CCCCCC(=O)CC HL1322 [2,0,0,0,0,0|1,0,1]=4 34 B8R0.6 COC(=O)CCCC=O YH09376 [2,0,0,0,0,0|1,0,0]=3 35 B8R0.6 COC(=O)CCCCO RT18638 [2,0,0,0,0,0|1,0,1]=4 36 B8R0.7 C=CCCCCC(=O)O XJ1588 [2,0,0,0,0,0|0,0,2]=4 37 B8R0.7 CCCCCCC(=O)O XJ0376 [2,0,0,0,0,0|0,0,0]=2 38 B8R0.7 CCCCCCC(C)O XJ2646 [2,0,0,0,0,0|1,0,1]=4 39 B8R0.7 CCCCCCC(C)O XJ2647 [2,0,0,0,0,0|1,0,1]=4 40 B8R0.7 CCCCCC[C@H](C)O XJ6892 [2,0,0,0,0,0|1,0,1]=4 41 B8R0.7 CCCCCC[N+](=O)[O-] RT0284 [2,0,0,0,0,0|1,0,1]=4 42 B8R0.7 CCCCCOC(C)=O HL0284 [2,0,0,0,0,0|2,0,0]=4 43 B8R0.7 CCCCOCC(=O)O HL2310 [2,0,0,0,0,0|1,0,0]=3 44 B8R0.7 NCCCCCC(=O)O JZ1196 [2,0,0,0,0,0|1,0,0]=3 45 B8R0.7 NCCCCCC(=O)O RT0574 [2,0,0,0,0,0|1,0,0]=3 46 B8R0.7 O=C(Cl)CCCCCCl XJ4464 [2,0,0,0,0,0|2,0,0]=4 47 B8R0.7 O=C(O)CCCCCBr HL2738 [2,0,0,0,0,0|1,0,0]=3 48 B8R0.7 O=C(O)CCCCCCl LT3590 [2,0,0,0,0,0|1,0,0]=3 49 B8R0.7 O=C(O)CCCCCO JZ4450 [2,0,0,0,0,0|1,0,0]=3 50 B8R0.28 CC(=O)CCCC(=O)O LQ2357 [2,0,0,0,0,0|0,0,0]=2 51 B8R0.28 CC(=O)NCCC(=O)O XJ2381 [2,0,0,0,0,0|1,0,0]=3 52 B8R0.28 CC(=O)SCCC(=O)O RT16513 [2,0,0,0,0,0|1,0,0]=3 53 B8R0.28 CC(C)CCCC(=O)O HL0282 [2,0,0,0,0,0|1,0,1]=4 54 B8R0.28 CC(O)CCCC(=O)O RT0557 [2,0,0,0,0,0|0,0,2]=4 55 B8R0.28 CN(C)CCCC(=O)O HL4424 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.28 NC(=O)NCCC(=O)O RT5605 [2,0,0,0,0,0|2,0,0]=4 57 B8R0.28 O=C(Cl)CCCC(=O)Cl LQ2315 [2,0,0,0,0,0|2,0,0]=4 58 B8R0.28 O=C(O)CNCC(=O)O HL1558 [2,0,0,0,0,0|2,0,0]=4 59 B8R0.28 O=C(O)CSCC(=O)O HL1472 [2,0,0,0,0,0|2,0,0]=4 60 B8R0.4 C=CCCCCCCC HL1481 [2,0,0,0,0,0|1,0,1]=4 61 B8R0.1 CCCOC(=O)CCC XJ0331 [2,0,0,0,0,0|1,0,1]=4 62 B8R0.1 CCOC(=O)CCCBr LT5161 [2,0,0,0,0,0|2,0,0]=4 63 B8R0.1 CCOC(=O)CCCN JZ3049 [2,0,0,0,0,0|2,0,0]=4 64 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O YH54550 [1,1,0,0,0,0|2,0,0]=4 65 B10R0.59 COC(=O)CCCC(=O)OC XJ1584 [1,1,0,0,0,0|1,0,0]=3 66 B10R0.59 COC(=O)COCC(=O)OC RT1290 [1,1,0,0,0,0|2,0,0]=4 67 B10R0.82 CNC(=O)SC[C@H](N)C(=O)O RT5607 [1,1,0,0,0,0|2,0,0]=4 68 B10R0.82 COC(=O)CC[C@H](N)C(=O)O LQ1777 [1,1,0,0,0,0|1,0,0]=3 69 B10R0.4 CCCCCCCCC(=O)Cl XJ1343 [1,1,0,0,0,0|1,0,1]=4 70 B10R0.4 CCCCCCCOC(=O)Cl LQ4802 [1,1,0,0,0,0|1,0,1]=4 71 B10R0.4 CCCCCCCOC(C)=O XJ0432 [1,1,0,0,0,0|1,0,1]=4 72 B10R0.4 NCCCCCCCC(=O)O HL0564 [1,1,0,0,0,0|0,0,1]=3 73 B10R0.4 NCCCCCCNC(=O)O HL1567 [1,1,0,0,0,0|1,0,1]=4 74 B10R0.4 O=C(O)CCCCCCCBr LQ4065 [1,1,0,0,0,0|0,0,1]=3 75 B10R0.4 O=C(O)CCCCCCCO YH17816 [1,1,0,0,0,0|0,0,1]=3 76 B10R0.6 CCCCCC(O)CC(=O)O XJ4061 [1,1,0,0,0,0|0,0,1]=3 77 B10R0.74 CCCCCCCC(=N)OC RT1143 [1,1,0,0,0,0|1,0,1]=4 78 B10R0.74 CCCCCCCC(=O)CC LQ1524 [1,1,0,0,0,0|1,0,1]=4 79 B10R0.74 CCCCCCCC(=O)OC XJ0374 [1,1,0,0,0,0|0,0,1]=3 80 B10R0.74 COC(=O)CCCCCCN RT1454 [1,1,0,0,0,0|1,0,1]=4 81 B10R0.75 CCCCCCC(O)C(=O)O LQ1207 [1,1,0,0,0,0|0,0,1]=3 82 B10R0.97 CC(C)CCCCCC(=O)O JZ5722 [1,1,0,0,0,0|0,0,1]=3 83 B10R0.1 CCCCCOC(=O)CCC XJ0918 [1,1,0,0,0,0|1,0,1]=4 84 B10R0.91 CCCCCC(=O)CCCC LQ1465 [1,1,0,0,0,0|1,0,1]=4 85 B10R0.26 CCCC(=O)NC(C)C(=O)O XJ5859 [0,1,0,0,1,0|1,0,0]=3 86 B10R0.96 CC(=O)CC(=O)CCC(=O)O RT1066 [0,1,0,0,1,0|0,0,1]=3 87 B12R0.140 CC(C)(C)OC(=O)NCCC(=O)O LT4261 [0,2,0,0,0,0|2,0,0]=4 88 B12R0.48 CCCCS(=O)CCC(N)C(=O)O RT5775 [0,2,0,0,0,0|1,0,0]=3 89 B12R0.48 CCCCS(=O)CCC(N)C(=O)O RT5789 [0,2,0,0,0,0|1,0,0]=3 90 B12R0.285 CCOC(=O)CCCC(=O)OCC LQ1460 [0,2,0,0,0,0|1,0,0]=3 91 B10R1.13 CC1CCC(C(=O)O)CC1 LT2843 [1,0,0,1,0,0|1,0,1]=4 92 B10R1.13 CN1CCC(C(=O)O)CC1 LT0358 [1,0,0,1,0,0|2,0,0]=4 93 B10R1.13 CN1CCC(C(=O)O)CC1 YH14081 [1,0,0,1,0,0|2,0,0]=4 94 B10R1.13 NC1CCC(C(=O)O)CC1 XJ2555 [1,0,0,1,0,0|1,0,1]=4 95 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 XJ2556 [1,0,0,1,0,0|1,0,1]=4 96 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 YH51578 [1,0,0,1,0,0|1,0,1]=4 97 B10R1.13 O=C(O)C1CCC(F)CC1 RT1228 [1,0,0,1,0,0|1,0,1]=4 98 B10R1.13 O=C(O)C1CCC(O)CC1 LT6124 [1,0,0,1,0,0|0,0,2]=4 99 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 YH57421 [1,0,0,1,0,0|0,0,2]=4 100 B10R1.13 O=C1CCC(C(=O)O)CC1 XJ1441 [1,0,0,1,0,0|0,0,0]=2 101 B10R1.13 O=C1CN[C@@H](C(=O)O)CN1 YH29413 [1,0,0,1,0,0|2,0,0]=4 102 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 YH32817 [1,0,0,1,0,0|2,0,0]=4 103 B10R1.14 COC(=O)C1CCC(=O)C1 YH54630 [1,0,0,1,0,0|2,0,0]=4 104 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 XJ2802 [1,0,0,1,0,0|2,0,0]=4 105 B10R1.54 O=C(O)CC1CCC(=O)C1 YH50499 [1,0,0,1,0,0|0,0,0]=2 106 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O SY0027 [1,0,0,1,0,0|1,0,0]=3 107 B10R1.10 CCCC1CCCC(=O)O1 LQ1386 [1,0,0,1,0,0|0,0,1]=3 108 B10R1.18 CC(=O)CC1CCCCC1 LL0342 [1,0,0,1,0,0|1,0,1]=4 109 B10R1.18 O=C(O)CC1CCCCC1 JZ2678 [1,0,0,1,0,0|0,0,1]=3 110 B10R1.18 O=C(O)CC1CCCCN1 YH43926 [1,0,0,1,0,0|1,0,1]=4 111 B10R1.18 O=C(O)CC1CCCNC1 LL1374 [1,0,0,1,0,0|1,0,0]=3 112 B10R1.18 O=C(O)CC1CCC[NH2+]C1 YH15549 [1,0,0,1,0,0|1,0,0]=3 113 B10R1.18 O=C(O)CC1CCOCC1 YH89653 [1,0,0,1,0,0|1,0,1]=4 114 B10R1.18 O=C(O)CC1CC[NH2+]CC1 HL4495 [1,0,0,1,0,0|1,0,1]=4 115 B10R1.61 CC1CCCCC1C(=O)O LT5851 [1,0,0,1,0,0|0,0,1]=3 116 B10R1.61 CN1CCCCC1C(=O)O RT5494 [1,0,0,1,0,0|1,0,1]=4 117 B10R1.61 C[C@H]1CCCN[C@H]1C(=O)O YH29336 [1,0,0,1,0,0|1,0,1]=4 118 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O LQ4559 [1,0,0,1,0,0|1,0,1]=4 119 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O YH66602 [1,0,0,1,0,0|2,0,0]=4 120 B10R1.66 O=C(O)CCC1CCCC1 RT12350 [1,0,0,1,0,0|0,0,1]=3 121 B10R1.78 O=C1CCCCCCCN1 JZ4295 [1,0,0,1,0,0|1,0,1]=4 122 B10R1.348 O=C(O)C1CCCCCC1 HL0836 [1,0,0,1,0,0|0,0,1]=3 123 B10R1.348 O=C(O)C1CCCCCN1 YH05142 [1,0,0,1,0,0|1,0,1]=4 124 B10R1.29 O=C1CCCN1CCCO LL1008 [1,0,0,1,0,0|1,0,1]=4 125 B10R1.135 CCOC(=O)C1CC1CO YH36342 [1,0,0,1,0,0|1,0,1]=4 126 B10R1.138 [C@H]1(COC(=O)CCC)CO1 XJ5901 [1,0,0,1,0,0|1,0,1]=4 127 B10R1.245 CCN1C(=O)CCCC1=O RT4091 [1,0,0,1,0,0|1,0,0]=3 128 B10R1.113 O=C1CCCC(C(=O)O)N1 YH65796 [0,0,0,1,1,0|1,0,0]=3 129 B10R1.113 O=C1CNCC(C(=O)O)N1 YH29649 [0,0,0,1,1,0|2,0,0]=4 130 B10R1.113 O=C1CNC[C@@H](C(=O)O)N1 YH29411 [0,0,0,1,1,0|2,0,0]=4 131 B10R1.113 O=C1CSC[C@@H](C(=O)O)N1 RT4036 [0,0,0,1,1,0|2,0,0]=4 132 B12R1.113 CCC[C@H]1CC[C@H](C(=O)O)CC1 LT5731 [0,1,0,1,0,0|1,0,1]=4 133 B12R1.252 O=C(O)CCCC1CCCCC1 XJ2695 [0,1,0,1,0,0|1,0,1]=4 134 B12R1.252 O=C(O)CCCN1CCCCC1 YH06512 [0,1,0,1,0,0|2,0,0]=4 135 B12R1.16 CCOC(=O)C1CCC(=O)CC1 LX2870 [0,1,0,1,0,0|2,0,0]=4 136 B12R1.1658 COC(=O)C1CCCC(=O)CC1 YH66290 [0,1,0,1,0,0|0,0,0]=2 137 B12R2.252 O=C(O)C1CC2CCCC2N1 HL3228 [0,0,0,2,0,0|1,0,1]=4 138 B12R2.252 O=C(O)C1CC2CCCC2N1 LL1616 [0,0,0,2,0,0|1,0,1]=4 139 B8R0.9 C=CC(=O)CCC(=O)O RT1271 [1,0,0,0,1,0|0,0,2]=4 140 B8R0.9 CCC(=O)NCC(=O)O RT16860 [1,0,0,0,1,0|1,0,0]=3 141 B8R0.9 COC(=O)CCC(=O)O LQ2566 [1,0,0,0,1,0|1,0,0]=3 142 B8R0.9 NCC(=O)CCC(=O)O LQ2887 [1,0,0,0,1,0|1,0,0]=3 143 B8R0.9 NCC(=O)CCC(=O)O YH23463 [1,0,0,0,1,0|1,0,0]=3 144 B8R0.9 NCC(=O)NCC(=O)O LT7835 [1,0,0,0,1,0|2,0,0]=4 145 B8R0.9 O=C(O)CNC(=O)CCl LQ3064 [1,0,0,0,1,0|2,0,0]=4 146 B8R0.5 CCCC(O)CC(=O)O RT0532 [0,0,0,0,2,0|0,0,2]=4 147 B8R0.5 CCNC(=O)CC(C)=O RT17389 [0,0,0,0,2,0|2,0,0]=4 148 B8R0.5 CCOC(=O)CC(=O)O LQ1646 [0,0,0,0,2,0|1,0,0]=3 149 B8R0.5 CCOC(=O)CC(=O)[O-] RT16410 [0,0,0,0,2,0|1,0,1]=4 150 B8R0.5 CCOC(=O)CC(C)=O JZ0311 [0,0,0,0,2,0|2,0,0]=4 151 B8R0.5 CCOC(=O)CC(N)=O XJ1561 [0,0,0,0,2,0|2,0,0]=4