0 B7R0.11 C=CCC(C)(C)C=O JZ2730 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.11 C=CCC(C)(C)CC YH38506 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.11 CCCC(C)(Cl)CC LQ5130 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.11 CCCC(C)(O)CC LQ1129 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.11 COC(C)(C)CCO HL4652 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.11 COCC(C)(C)C#N RT0265 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 CCC(C)CC=O JZ5060 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.1 CCC(C)CCO HL0061 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.1 CCC(C)CCO LL2797 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.1 CCC(C)CCO LQ4221 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.1 CCCC(C)CC HL0060 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.1 CSC(C)CC=O LT2625 [1,0,0,0,0,0|2,1,0]=4 12 B6R0.5 C=CC[N+](C)(C)C LQ1810 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.5 CC#CC(C)(C)C HL0639 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.5 CC(C)(C)CCBr HL0956 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.5 CC(C)(C)CCO XJ1179 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.5 CC(C)(C)N=C=O XJ1845 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.5 CC(C)(C)NC=O JZ2037 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.5 CC(C)(N)CCO YH01120 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.5 CC(C)(O)CCBr RT0161 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.5 CC(C)(O)CCCl RT0158 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.5 CCCC(C)(C)Cl LQ2678 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.5 CCCC(C)(C)O HL0081 [1,0,0,0,0,0|1,0,1]=3 23 B6R0.5 CCC[N+](C)(C)C RT0535 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.5 CCOC(C)(C)C JZ4054 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.5 COCC(C)(C)O JZ2366 [1,0,0,0,0,0|1,0,1]=3 26 B6R0.5 C[As+](C)(C)CCO RT1086 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.5 C[N+](C)(C)CC=O RT17781 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.5 C[N+](C)(C)CCO JZ5198 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.5 C[Si](C)(C)CCO JZ2139 [1,0,0,0,0,0|2,1,0]=4 30 B6R0.8 CC(C)(C=O)CO LQ1118 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.8 CC(C)(CO)CCl XJ3884 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.8 CCC(C)(C)CC LQ1054 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.8 CCC(C)(C)O[Na] LQ3782 [1,0,0,0,0,0|1,0,1]=3 34 B6R0.8 COC(C)(C)OC LT6181 [1,0,0,0,0,0|1,0,1]=3 35 B8R0.25 CCCCC(C)(C)CC JZ2461 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.30 CCOC(C)(C)OCC HL1527 [0,1,0,0,0,0|2,0,1]=4 37 B8R1.72 CC1(C)CNCCN1 YH65105 [0,0,0,1,0,0|1,0,2]=4 38 B5R0.1 C#CCC(C)O LQ2032 [2,0,0,0,0,0|1,0,1]=4 39 B5R0.1 C=CCC(C)C LQ1324 [2,0,0,0,0,0|1,0,1]=4 40 B5R0.1 C=CCC(C)O XJ1184 [2,0,0,0,0,0|1,0,1]=4 41 B5R0.1 CC(C)CC#N XJ1183 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.1 CC(C)CCCl HL1371 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 CC(C)CCI XJ0935 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 CC(O)CC=O HL1375 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.1 CCCC(C)C HL1370 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.1 CCCC(C)C HL4500 [2,0,0,0,0,0|1,0,1]=4 47 B5R0.1 CCC[C@H](C)O LQ4668 [2,0,0,0,0,0|1,0,1]=4 48 B5R0.1 C[C@@H](O)CCO SY0267 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.2 CNCCOC LQ4938 [2,0,0,0,0,0|0,0,2]=4 50 B5R0.2 COCCC#N LL0433 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.2 COCCC=O YH51649 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.2 COCCCCl LQ4914 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.2 COCCCN LT2986 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.3 CCC(C)CBr LQ2987 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.3 CCC(C)CBr LQ3410 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.3 CCC(C)CC LL0223 [2,0,0,0,0,0|1,0,1]=4 57 B5R0.3 CCC(C)CCl LQ1182 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.3 CCC(C)CO LL0587 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.3 CCC(C)NC LQ3344 [2,0,0,0,0,0|1,0,1]=4 60 B5R0.3 CC[C@@H](C)CO LQ1183 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.3 CC[C@H](C)CBr LL0949 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.4 C#CC(C)(C)C YH95703 [2,0,0,0,0,0|0,0,2]=4 63 B5R0.4 C#CC(C)(C)O HL1447 [2,0,0,0,0,0|0,0,2]=4 64 B5R0.4 C=CC(C)(C)O HL1446 [2,0,0,0,0,0|0,0,2]=4 65 B5R0.4 CC(C)(Br)CCl HL2125 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.4 CC(C)(C)C=O RT1153 [2,0,0,0,0,0|1,0,1]=4 67 B5R0.4 CC(C)(C)CBr LQ1283 [2,0,0,0,0,0|1,0,0]=3 68 B5R0.4 CC(C)(C)CCl XJ1305 [2,0,0,0,0,0|1,0,0]=3 69 B5R0.4 CC(C)(C)CO LQ0123 [2,0,0,0,0,0|1,0,0]=3 70 B5R0.4 CC(C)(C)OCl RT17559 [2,0,0,0,0,0|1,0,0]=3 71 B5R0.4 CC(C)(F)CBr YH65172 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.4 CC(C)(F)CO RT0499 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.4 CC(C)(N)CO LT0229 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.4 CC(C)(O)CBr RT16393 [2,0,0,0,0,0|1,0,0]=3 75 B5R0.4 CC(C)(O)CCl LQ1048 [2,0,0,0,0,0|1,0,0]=3 76 B5R0.4 CC(C)(O)CO RT1147 [2,0,0,0,0,0|1,0,0]=3 77 B5R0.4 CC(C)(S)CN LX2484 [2,0,0,0,0,0|0,1,1]=4 78 B5R0.4 CCC(C)(C)Cl LQ1095 [2,0,0,0,0,0|1,0,1]=4 79 B5R0.4 CCC(C)(C)N LQ1096 [2,0,0,0,0,0|1,0,1]=4 80 B5R0.4 CCC(C)(C)[O-] LL2022 [2,0,0,0,0,0|0,0,2]=4 81 B5R0.4 CSC(C)(C)C XJ3040 [2,0,0,0,0,0|0,1,0]=3 82 B5R0.4 C[N+](C)(C)CI XJ5407 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.4 C[Si](C)(C)CCl LT7112 [2,0,0,0,0,0|1,1,0]=4 84 B5R0.4 C[Si](C)(C)CN YH41576 [2,0,0,0,0,0|0,1,1]=4 85 B5R0.4 [2H]OC(C)(C)C RT17778 [2,0,0,0,0,0|1,0,0]=3 86 B7R0.7 [C-]#[N+]CC(=O)OCC XJ2343 [1,1,0,0,0,0|1,0,1]=4 87 B7R0.12 COC(CSC)OC LT1531 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.8 CC(C)(C)OCCO RT17621 [1,1,0,0,0,0|2,0,0]=4 89 B7R0.8 CCCOC(C)(C)C YH65394 [1,1,0,0,0,0|1,0,1]=4 90 B7R0.9 CC(C)(C)CC(=O)Cl XJ3242 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.9 CC(C)(C)CC(=O)O LQ1642 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.9 CC(C)CC(C)(C)O XJ1180 [1,1,0,0,0,0|1,0,1]=4 93 B7R0.9 CC(O)CC(C)(C)O HL1357 [1,1,0,0,0,0|1,0,1]=4 94 B7R0.14 CC(C)(C)[C@H](N)CO YH25084 [1,1,0,0,0,0|2,0,0]=4 95 B7R0.14 C[C@@H](CO)C(C)(C)O RT18819 [1,1,0,0,0,0|2,0,0]=4 96 B7R0.18 COC(C)(CBr)OC HL1522 [1,1,0,0,0,0|1,0,0]=3 97 B9R0.62 CCCC(OC)(OC)OC LQ5116 [0,2,0,0,0,0|1,0,1]=4 98 B9R0.62 COCC(OC)(OC)OC RT17660 [0,2,0,0,0,0|1,0,1]=4 99 B7R1.1 COC1CCCC1 JZ2800 [1,0,0,1,0,0|1,0,1]=4 100 B7R1.1 CO[C@@H]1CCNC1 RT17416 [1,0,0,1,0,0|0,0,2]=4 101 B7R1.10 COC1CC(=O)C1 YH53549 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.14 CC1(C)CCCO1 HL0572 [1,0,0,1,0,0|1,0,1]=4 103 B7R1.26 CC(C)(C)C1CO1 XJ2121 [1,0,0,1,0,0|1,0,1]=4 104 B7R1.26 CC(C)(O)C1CC1 LQ1548 [1,0,0,1,0,0|1,0,1]=4 105 B9R1.10 CC1(C)OCC(=O)CO1 LL1350 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.133 C(=O)[C@@H]1COC(C)(C)O1 XJ4670 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.133 C(=O)[C@H]1COC(C)(C)O1 M0500219 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.133 CC1(C)OC[C@@H](CO)O1 XJ4098 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.133 CC1(C)OC[C@H](CCl)O1 XJ5770 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.133 CC1(C)OC[C@H](CN)O1 YH22339 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.133 CC1(C)OC[C@H](CO)O1 XJ4671 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.134 CNCC1(C)CCCO1 RT4249 [0,1,0,1,0,0|0,0,2]=4 113 B9R2.174 C1COC2(CC2)CN1 CJ2326 [0,0,0,2,0,0|0,0,2]=4