0 B8R0.3 CCCC(O)C(C)CC HL2017 [1,0,0,0,0,0|1,0,2]=4 1 B8R0.3 CCOC(=O)C(=O)CBr LT7898 [1,0,0,0,0,0|1,0,2]=4 2 B8R0.3 CCOC(=O)C(Br)CBr LT5069 [1,0,0,0,0,0|2,0,0]=3 3 B8R0.3 CCOC(=O)C(Br)CC LL0944 [1,0,0,0,0,0|1,0,0]=2 4 B8R0.3 CCOC(=O)C(C)OC RT0257 [1,0,0,0,0,0|1,0,0]=2 5 B8R0.3 CCOC(=O)C(N)C#N YH54556 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.3 CCOC(=O)C(N)CO YH58945 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.3 CCOC(=O)C(O)CCl RT1135 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.3 CCOC(=O)N(C)N=O RT17753 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.3 CCOC(=O)[C@@H](N)CO LQ4499 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.3 CCOC(=O)[C@@H](N)CS JZ0417 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.3 CCOC(=O)[C@H](N)CS JZ1383 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.3 CC\C=C(/C)C(O)CC HL4673 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.13 C#CC(C)(C)C(=O)OC RT0524 [1,0,0,0,0,0|1,0,2]=4 14 B8R0.13 COC(=O)[C@@](C)(O)CO RT0014 [1,0,0,0,0,0|1,0,0]=2 15 B8R0.14 CC(C)(C)C(=O)OCI LT4086 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.14 CCCC(=O)C(C)(C)C HL2939 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.14 CCOC(=O)C(C)(C)Br JZ3856 [1,0,0,0,0,0|1,0,0]=2 18 B8R0.14 CCOC(=O)C(C)(C)C LT5679 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.14 CCOC(=O)C(C)(C)F CJ2462 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.14 CCOC(=O)C(C)(C)S RT1366 [1,0,0,0,0,0|0,1,0]=2 21 B8R0.14 CCOC(=O)C(C)(F)F CJ2360 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.14 CCOC(=O)C(F)(Br)Br LT4826 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.14 CCOC(=O)C(F)(F)Br LT4318 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.14 CCOC(=O)C(F)(F)Cl HL1718 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.14 CCOC(=O)C(F)(F)F LT6198 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.14 CCOC(=O)C(F)(F)S RT1360 [1,0,0,0,0,0|2,1,0]=4 27 B8R0.25 CCCCC(C)(C)CC JZ2461 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.25 CCCCC(C)(O)CC JZ2784 [1,0,0,0,0,0|1,0,1]=3 29 B10R0.36 CCOC(=O)C(C)(C)C(C)=O RT0113 [0,1,0,0,0,0|1,0,1]=3 30 B10R0.36 CCOC(=O)C(C)(C)C(C)O RT0130 [0,1,0,0,0,0|1,0,0]=2 31 B10R0.36 CCOC(=O)C(F)(F)C(C)=O HL2163 [0,1,0,0,0,0|2,0,1]=4 32 B10R0.39 CON(C)C(=O)[C@@](C)(O)CO RT0015 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.401 CCOC(=O)C1(N)CCC1 YH65425 [0,0,0,1,0,0|1,0,0]=2 34 B10R1.405 CCOC(=O)C1(C#N)CC1 YH37057 [0,0,0,1,0,0|2,0,1]=4 35 B10R1.405 CCOC(=O)C1(CN)CC1 YH65433 [0,0,0,1,0,0|2,0,0]=3 36 B7R0.3 CCC#CC(O)CC XJ5066 [2,0,0,0,0,0|1,0,1]=4 37 B7R0.3 CCCCC(C)CC HL0067 [2,0,0,0,0,0|1,0,1]=4 38 B7R0.3 CCOCC(O)CCl HL2668 [2,0,0,0,0,0|1,0,1]=4 39 B7R0.5 C=C(C)C(=O)OCC LL0282 [2,0,0,0,0,0|0,0,2]=4 40 B7R0.5 CCCC(=O)N(C)C XJ1325 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.5 CCOC(=O)C(Br)Br LQ1203 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.5 CCOC(=O)C(C)=O RT1264 [2,0,0,0,0,0|0,0,2]=4 43 B7R0.5 CCOC(=O)C(C)Br LL0957 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.5 CCOC(=O)C(C)F LQ5515 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.5 CCOC(=O)C(C)O HL0374 [2,0,0,0,0,0|0,0,0]=2 46 B7R0.5 CCOC(=O)[C@@H](C)N JZ1462 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.5 CCOC(=O)[C@H](C)O RT17626 [2,0,0,0,0,0|0,0,0]=2 48 B7R0.7 C=C(OCC)OCC YH65772 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.7 CCCC(=O)OCCl LQ4784 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.7 CCCS(=O)CCC LQ2622 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.7 CCNC(=O)NCC XJ1156 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.7 CCOC(=O)CC#N LT6197 [2,0,0,0,0,0|1,0,1]=4 53 B7R0.7 CCOC(=O)CC=O YH56003 [2,0,0,0,0,0|1,0,1]=4 54 B7R0.7 CCOC(=O)CCCl XJ1154 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.7 CCOC(=O)CCN LT4188 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.7 CCOC(=O)CCS LQ2910 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.7 CCOC(=O)CNN JZ3067 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.7 CCOC(=O)OCCl RT1170 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.7 CCOC(=S)SCC XJ1157 [2,0,0,0,0,0|1,1,0]=4 60 B7R0.7 CCOC(=S)SCC XJ1158 [2,0,0,0,0,0|1,1,0]=4 61 B7R0.7 CCOC(=S)SCC XJ1396 [2,0,0,0,0,0|1,1,0]=4 62 B7R0.7 CCOS(=O)OCC XJ1159 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.7 [C-]#[N+]CC(=O)OCC XJ2343 [2,0,0,0,0,0|1,0,1]=4 64 B7R0.10 CCC(=O)C(=O)OC RT0515 [2,0,0,0,0,0|0,0,2]=4 65 B7R0.10 CCC(C)C(=O)OC XJ1392 [2,0,0,0,0,0|0,0,0]=2 66 B7R0.10 CCC(N)C(=O)OC RT5378 [2,0,0,0,0,0|1,0,0]=3 67 B7R0.10 CCC(N)C(=O)OC RT5379 [2,0,0,0,0,0|1,0,0]=3 68 B7R0.10 CC[C@@H](N)C(=O)OC YH90152 [2,0,0,0,0,0|1,0,0]=3 69 B7R0.10 COC(=O)C(Br)CBr JZ4729 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.10 COC(=O)C(C)OC LQ4052 [2,0,0,0,0,0|1,0,0]=3 71 B7R0.10 COC(=O)C(Cl)CO LL1708 [2,0,0,0,0,0|2,0,0]=4 72 B7R0.10 COC(=O)C(N)CCl RT5025 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.10 COC(=O)[C@@H](C)CO LT7462 [2,0,0,0,0,0|1,0,0]=3 74 B7R0.10 COC(=O)[C@@H](N)CS JZ0418 [2,0,0,0,0,0|2,0,0]=4 75 B7R0.10 COC(=O)[C@H](N)CO RT5050 [2,0,0,0,0,0|2,0,0]=4 76 B7R0.11 CCCC(C)(Cl)CC LQ5130 [2,0,0,0,0,0|1,0,1]=4 77 B7R0.11 CCCC(C)(O)CC LQ1129 [2,0,0,0,0,0|0,0,1]=3 78 B7R0.11 COCC(C)(O)CCl LT2283 [2,0,0,0,0,0|1,0,1]=4 79 B7R0.13 CC(C)(CN)C(=O)O YH42944 [2,0,0,0,0,0|2,0,0]=4 80 B7R0.13 CC(C)(CO)C(=O)O JZ2632 [2,0,0,0,0,0|2,0,0]=4 81 B7R0.13 CCC(C)(C)C(=O)Cl HL3059 [2,0,0,0,0,0|2,0,0]=4 82 B7R0.13 CCC(C)(N)C(=O)O YH02479 [2,0,0,0,0,0|1,0,0]=3 83 B7R0.13 CCC(C)(O)C(=O)O LT1749 [2,0,0,0,0,0|0,0,0]=2 84 B7R0.13 CCC(F)(F)C(=O)O LQ2142 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.13 CC[C@@](C)(N)C(=O)O LX2334 [2,0,0,0,0,0|1,0,0]=3 86 B7R0.13 CC[C@](C)(N)C(=O)O YH09033 [2,0,0,0,0,0|1,0,0]=3 87 B7R0.13 C[C@@](N)(CO)C(=O)O LX2820 [2,0,0,0,0,0|2,0,0]=4 88 B7R0.13 C[C@@](O)(CBr)C(=O)O RT0187 [2,0,0,0,0,0|1,0,0]=3 89 B7R0.13 C[C@](N)(CO)C(=O)O LX2799 [2,0,0,0,0,0|2,0,0]=4 90 B7R0.14 CC(C)(C)C(=O)CBr LQ2921 [2,0,0,0,0,0|2,0,0]=4 91 B7R0.14 CC(C)(C)C(=O)CN LL1502 [2,0,0,0,0,0|2,0,0]=4 92 B7R0.14 CNC(=O)C(C)(C)C LQ3187 [2,0,0,0,0,0|2,0,0]=4 93 B7R0.14 COC(=O)C(C)(C)Br JZ5571 [2,0,0,0,0,0|1,0,0]=3 94 B7R0.14 COC(=O)C(C)(C)C LQ1155 [2,0,0,0,0,0|1,0,0]=3 95 B7R0.14 COC(=O)C(C)(C)F HL1703 [2,0,0,0,0,0|1,0,0]=3 96 B7R0.14 COC(=O)C(C)(C)O LT2108 [2,0,0,0,0,0|0,0,0]=2 97 B7R0.14 COC(=O)C(C)(C)S RT19827 [2,0,0,0,0,0|0,1,0]=3 98 B9R0.6 CCOC(=O)C(=O)C(C)Br RT18792 [1,1,0,0,0,0|0,0,2]=4 99 B9R0.6 CCOC(=O)C(Br)C(C)C XJ1072 [1,1,0,0,0,0|1,0,0]=3 100 B9R0.6 CCOC(=O)C(C)C(C)=O XJ1073 [1,1,0,0,0,0|0,0,1]=3 101 B9R0.6 CCOC(=O)C(C)C(C)O RT0267 [1,1,0,0,0,0|0,0,0]=2 102 B9R0.6 CCOC(=O)C(C)[N+](=O)[O-] LQ2213 [1,1,0,0,0,0|2,0,0]=4 103 B9R0.6 CCOC(=O)C(Cl)C(C)=O LT1703 [1,1,0,0,0,0|1,0,1]=4 104 B9R0.6 CCOC(=O)\C(C)=C(\C)N RT17576 [1,1,0,0,0,0|0,0,2]=4 105 B9R0.23 C\C=C(/C)C(=O)OC(C)C JZ4739 [1,1,0,0,0,0|0,0,2]=4 106 B9R0.35 C=CC[C@H](N)C(=O)OCC YH66639 [1,1,0,0,0,0|1,0,1]=4 107 B9R0.35 CCOC(=N)C(=O)OCC YH06755 [1,1,0,0,0,0|1,0,1]=4 108 B9R0.35 CCOC(=N)C(=O)OCC YH19941 [1,1,0,0,0,0|1,0,1]=4 109 B9R0.35 CCOC(=O)C(=O)OCC LQ0292 [1,1,0,0,0,0|0,0,2]=4 110 B9R0.35 CCOC(=O)C(Cl)OCC LQ4835 [1,1,0,0,0,0|1,0,0]=3 111 B9R0.35 CCOC(=O)C(O)OCC RT1141 [1,1,0,0,0,0|0,0,0]=2 112 B9R0.37 CCN(CC)C(=O)OCCl RT18612 [1,1,0,0,0,0|2,0,0]=4 113 B9R0.37 CCOC(=O)C(C#N)CC YH38033 [1,1,0,0,0,0|0,0,1]=3 114 B9R0.37 CCOC(=O)C(CC)CC XJ2324 [1,1,0,0,0,0|0,0,0]=2 115 B9R0.20 CCCCCC(C)(O)CC XJ2852 [1,1,0,0,0,0|1,0,1]=4 116 B9R0.66 CCCCC(C)(O)CCC JZ5568 [1,1,0,0,0,0|1,0,1]=4 117 B9R1.5 NC1CCCCNC1=O YH41189 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.5 N[C@H]1CCCCNC1=O JZ0849 [1,0,0,1,0,0|2,0,0]=4 119 B9R1.11 CC(CO)C1=NCCO1 YH33173 [1,0,0,1,0,0|2,0,0]=4 120 B9R1.15 CCC1CCCCC1=O XJ2656 [1,0,0,1,0,0|1,0,0]=3 121 B9R1.37 CC1=C(O)C(=O)OC1C LT2601 [1,0,0,1,0,0|0,0,2]=4 122 B9R1.73 CCOC(=O)C1CNC1 YH65805 [1,0,0,1,0,0|1,0,0]=3 123 B9R1.148 CC1(O)CCCCCC1 HL2619 [1,0,0,1,0,0|1,0,1]=4 124 B11R1.835 CCOC(=O)C1(C(C)=O)CC1 YH54729 [0,1,0,1,0,0|1,0,1]=4 125 B11R1.979 C[C@]1(O)C(=O)O[C@H](CO)[C@H]1O LL0878 [0,1,0,1,0,0|1,0,0]=3 126 B11R1.834 C=C[C@@H]1C[C@]1(N)C(=O)OCC YH66396 [0,1,0,1,0,0|1,0,1]=4 127 B9R0.34 CCOC(=O)CC(=O)CC XJ2812 [1,0,0,0,0,1|0,0,2]=4 128 B9R0.34 CCOC(=O)C[C@@H](O)CBr LT5259 [1,0,0,0,0,1|1,0,0]=3 129 B9R0.34 CCOC(=O)C[C@@H](O)CCl SY0316 [1,0,0,0,0,1|1,0,0]=3 130 B9R0.34 CCOC(=O)C[C@H](O)CBr LT5260 [1,0,0,0,0,1|1,0,0]=3 131 B9R0.34 CCOC(=O)C[C@H](O)CO RT17657 [1,0,0,0,0,1|1,0,0]=3 132 B9R0.34 CCOC(=O)NC(=S)CC RT0256 [1,0,0,0,0,1|0,1,1]=4 133 B9R0.34 CCOC(=O)\C=C(/C)CBr RT0107 [1,0,0,0,0,1|1,0,1]=4 134 B9R0.34 CCOC(=O)\C=C(\C)CBr RT0108 [1,0,0,0,0,1|1,0,1]=4 135 B9R0.34 CCOC(=O)\C=C(\C)NC YH91127 [1,0,0,0,0,1|1,0,1]=4 136 B9R0.44 CCOC(=O)CC(C)(C)C XJ2853 [1,0,0,0,0,1|1,0,0]=3