0 B8R0.9 C=CC(=O)OCC(C)C HL1320 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.9 C=CC(=O)OCC(C)O LT1991 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.9 C=CC(=O)OCC(C)O XJ4840 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.9 CCC(=O)NCC(=O)O RT16860 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.9 CCC(=O)OCC(C)C XJ0923 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.9 CCC(C)CCC(C)N YH66030 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.3 C#CCOC(=O)CC LQ2026 [1,0,0,0,0,0|0,0,2]=3 7 B7R0.3 C=CC(=O)OCCO LQ1461 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.3 CCCCC(=O)CC XJ0362 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.3 CCCCC(=O)NC HL3084 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.3 CCCCC(=O)NN LQ4942 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.3 CCCCC(C)CC HL0067 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.3 CCCOC(=O)CCl HL2914 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.3 CCCOC(=O)CN LQ3564 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.3 CCOCC(=O)OC RT17745 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.3 CC\C(C)=C\CCBr JZ5314 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.3 COC(=O)CCCCl LT5164 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.3 COC(=O)CCCO RT0271 [1,0,0,0,0,0|3,0,0]=4 18 B7R0.3 COC(=O)CCSC LQ3661 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.3 COCCC(=O)OC LQ2522 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.4 CC(C)CCCCO RT0516 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.4 CCC#CCN(C)C JZ3104 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.4 CCCCCC(C)C HL0115 [1,0,0,0,0,0|1,0,1]=3 23 B7R0.4 CCCCCC(C)N JZ2985 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.4 CCCCCC(C)N XJ0515 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.4 CCCCC[C@H](C)O JZ2825 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.4 CCCNCC(C)O RT1462 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.4 CCNCCN(C)C XJ0516 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.6 CC(=O)CCC(C)=O LL0405 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.6 CC(=O)CCC(C)C LL0404 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.6 CC(=O)CNC(C)=O YH65583 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.6 CC(=O)OCC(=O)Cl LT1689 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.6 CC(=O)\C=C\C(C)C LQ2825 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.6 CC(=O)\C=C\N(C)C RT1440 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.6 CC(C)CCC(=O)O XJ1215 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.6 CC(C)CCC(C)C HL0113 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.6 CC(C)CCC(C)N RT0214 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.6 CC(C)CCC(C)O HL0260 [1,0,0,0,0,0|1,0,2]=4 38 B7R0.6 CC(C)CNC(N)=O RT15753 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.6 CC(C)COC(=O)Cl XJ0965 [1,0,0,0,0,0|1,0,0]=2 40 B7R0.6 C[S+](C)CCC(=O)O RT0388 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.6 C[S+](C)CCC(=O)[O-] LQ3247 [1,0,0,0,0,0|3,0,0]=4 42 B9R0.7 C=C(C)C(=O)OCC(C)C LL0289 [0,1,0,0,0,0|0,0,1]=2 43 B9R0.7 C=C(C)C(=O)OCC(C)O LT6560 [0,1,0,0,0,0|1,0,1]=3 44 B9R0.7 CC(C)COC(=O)C(C)C LL0288 [0,1,0,0,0,0|0,0,0]=1 45 B9R0.7 [C@H](C)(O)C(=O)OCC(C)C HL4157 [0,1,0,0,0,0|0,0,0]=1 46 B9R0.23 CC(C)CC(=O)C(=O)O[Na] HL2750 [0,1,0,0,0,0|3,0,0]=4 47 B9R0.23 CCC(=O)C(C)CN(C)C YH66423 [0,1,0,0,0,0|2,0,0]=3 48 B9R0.23 COC(=O)[C@@H](N)CC(C)C JZ0423 [0,1,0,0,0,0|2,0,0]=3 49 B9R0.24 CCC(=O)CCC(=O)CC RT0042 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.24 CNC(=O)O\N=C(\C)SC LT7465 [0,1,0,0,0,0|2,0,1]=4 51 B9R0.42 CCC(=O)OC(Cl)C(C)C RT18795 [0,1,0,0,0,0|0,0,0]=1 52 B9R0.48 CCCC(=O)OCC(C)C XJ0914 [0,1,0,0,0,0|0,0,0]=1 53 B9R0.48 CCOC(=O)CCN(C)C LQ4191 [0,1,0,0,0,0|2,0,0]=3 54 B9R0.48 CCOC(=O)\C=C\N(C)C XJ1570 [0,1,0,0,0,0|2,0,1]=4 55 B9R0.48 CCOC(=O)\C=C\N(C)C YH96031 [0,1,0,0,0,0|2,0,1]=4 56 B9R0.48 C\C=C\C(=O)OCC(C)C HL0066 [0,1,0,0,0,0|0,0,1]=2 57 B9R1.10 CC1(C)CCC(=O)CC1 LQ2625 [0,0,0,1,0,0|1,0,0]=2 58 B9R1.10 CC1(C)CCC(O)CC1 LQ1560 [0,0,0,1,0,0|1,0,2]=4 59 B9R1.10 CC1(C)OCC(=O)CO1 LL1350 [0,0,0,1,0,0|3,0,0]=4 60 B9R1.10 O=C1CCC(F)(F)CC1 XJ4719 [0,0,0,1,0,0|3,0,0]=4 61 B9R1.35 CC(C)[C@H]1CSC(=S)N1 LT5892 [0,0,0,1,0,0|2,1,0]=4 62 B9R1.35 O=C1CC[C@H](C(=O)O)O1 YH05861 [0,0,0,1,0,0|2,0,1]=4 63 B9R1.35 O=C1CC[C@H](C(=O)O)O1 YH46331 [0,0,0,1,0,0|2,0,1]=4 64 B9R1.49 CN1CCCC(=O)CC1 CJ2109 [0,0,0,1,0,0|2,0,0]=3 65 B9R1.49 CN1CCNC(=O)CC1 LQ2863 [0,0,0,1,0,0|3,0,0]=4 66 B9R1.49 CN1CCNC(=O)CC1 YH09522 [0,0,0,1,0,0|3,0,0]=4 67 B9R1.69 CC1CN(C)CCC1=O YH02404 [0,0,0,1,0,0|2,0,0]=3 68 B7R0.2 C=CC(=O)NC(C)C JZ1950 [0,0,0,0,1,0|1,0,2]=4 69 B7R0.2 CC(C)C[C@@H](N)CO LT4736 [0,0,0,0,1,0|2,0,1]=4 70 B7R0.2 CC(C)NC(=O)CCl LQ2337 [0,0,0,0,1,0|2,0,0]=3 71 B7R0.2 CC(C)NC(=O)CN LL1178 [0,0,0,0,1,0|2,0,0]=3 72 B7R0.2 CC(C)OC(=O)CCl XJ0319 [0,0,0,0,1,0|1,0,0]=2 73 B7R0.2 CCC(=O)CC(N)=O YH16677 [0,0,0,0,1,0|2,0,1]=4 74 B7R0.2 CCC(=O)OC(C)C JZ4049 [0,0,0,0,1,0|0,0,0]=1 75 B7R0.2 CCC(C)CC(C)C XJ0315 [0,0,0,0,1,0|1,0,1]=3 76 B7R0.2 CNC(=O)CC(C)=O LQ4229 [0,0,0,0,1,0|2,0,1]=4 77 B7R0.2 COC(=O)C=C(C)C LQ1499 [0,0,0,0,1,0|1,0,2]=4 78 B7R0.2 COC(=O)CC(C)=O XJ0317 [0,0,0,0,1,0|2,0,1]=4 79 B7R0.2 COC(=O)C[C@@H](C)O JZ2426 [0,0,0,0,1,0|2,0,0]=3 80 B7R0.2 COC(=O)C[C@H](C)O LQ5263 [0,0,0,0,1,0|2,0,0]=3 81 B7R0.2 [C@@H](N)(CO)CC(C)C JZ1582 [0,0,0,0,1,0|2,0,1]=4 82 B9R0.1 CCC(=O)OCCC(C)C XJ0333 [0,0,0,0,0,1|0,0,0]=1 83 B9R0.1 COC(=O)\C=C\CN(C)C RT4829 [0,0,0,0,0,1|3,0,0]=4 84 B6R0.1 C#CC(=O)OCC JZ0327 [2,0,0,0,0,0|0,0,2]=4 85 B6R0.1 C(Cl)CC(=O)OC LT5092 [2,0,0,0,0,0|2,0,0]=4 86 B6R0.1 C=CC(=O)OCC XJ0563 [2,0,0,0,0,0|0,0,2]=4 87 B6R0.1 C=COC(=O)CC XJ0313 [2,0,0,0,0,0|0,0,2]=4 88 B6R0.1 CCC(=O)CSC JZ4808 [2,0,0,0,0,0|1,0,0]=3 89 B6R0.1 CCCC(=O)CC HL0062 [2,0,0,0,0,0|0,0,0]=2 90 B6R0.1 CCCC(=O)NN JZ2316 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.1 CCCC(=O)OC XJ1144 [2,0,0,0,0,0|1,0,0]=3 92 B6R0.1 CCCC(=O)SC XJ2150 [2,0,0,0,0,0|1,0,0]=3 93 B6R0.1 CCCC(C)CC HL0060 [2,0,0,0,0,0|1,0,1]=4 94 B6R0.1 CCOC(=O)C=O LQ1498 [2,0,0,0,0,0|1,0,1]=4 95 B6R0.1 CCOC(=O)CBr JZ0369 [2,0,0,0,0,0|1,0,0]=3 96 B6R0.1 CCOC(=O)CN JZ1544 [2,0,0,0,0,0|1,0,0]=3 97 B6R0.1 CCOC(=O)NN LT5272 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.1 CCOC(=O)NN XJ4829 [2,0,0,0,0,0|2,0,0]=4 99 B6R0.1 CCOC(=O)NO HL0063 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.1 CCOC(=O)[13CH2]N RT5563 [2,0,0,0,0,0|1,0,0]=3 101 B6R0.1 CCSC(=O)CC LT5718 [2,0,0,0,0,0|0,1,0]=3 102 B6R0.1 CNCC(=O)OC JZ4592 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.1 COC(=O)CCN LT4189 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.1 COC(=O)CCS JZ2165 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.1 COC(=O)OCCl RT1172 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.4 C#CCOC(C)=O HL0247 [2,0,0,0,0,0|0,0,2]=4 107 B6R0.4 C=CCCC(C)C JZ2300 [2,0,0,0,0,0|1,0,1]=4 108 B6R0.4 C=CCOC(C)=O HL0108 [2,0,0,0,0,0|0,0,2]=4 109 B6R0.4 CC(=O)NCCCl JZ3076 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.4 CC(=O)NCCN HL0561 [2,0,0,0,0,0|2,0,0]=4 111 B6R0.4 CC(=O)OCCBr LQ1516 [2,0,0,0,0,0|1,0,0]=3 112 B6R0.4 CC(C)CCC=O RT0502 [2,0,0,0,0,0|1,0,0]=3 113 B6R0.4 CC(C)CCCBr HL0240 [2,0,0,0,0,0|1,0,1]=4 114 B6R0.4 CC(C)COC=O XJ0953 [2,0,0,0,0,0|0,0,0]=2 115 B6R0.4 CC(C)OCCO LQ0441 [2,0,0,0,0,0|1,0,1]=4 116 B6R0.4 CCCCC(=O)[O-] RT0478 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.4 CCCCC(C)Br HL2516 [2,0,0,0,0,0|1,0,1]=4 118 B6R0.4 CCCCC(N)=O HL0242 [2,0,0,0,0,0|2,0,0]=4 119 B6R0.4 CCCNC(C)=O JZ2722 [2,0,0,0,0,0|1,0,0]=3 120 B6R0.4 CCCNC(N)=O HL0246 [2,0,0,0,0,0|2,0,0]=4 121 B6R0.4 CCCOC(N)=O RT1458 [2,0,0,0,0,0|1,0,0]=3 122 B6R0.4 CCCSC(C)C HL2844 [2,0,0,0,0,0|0,1,1]=4 123 B6R0.4 CSCCC(C)=O LT2666 [2,0,0,0,0,0|2,0,0]=4 124 B6R0.6 CCCCOCC HL0289 [2,0,0,0,0,0|2,0,0]=4 125 B6R0.6 CCCCSCC JZ4067 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.6 CCCNCCC RT1163 [2,0,0,0,0,0|1,0,1]=4 127 B6R0.6 CCCSSCC LT5405 [2,0,0,0,0,0|1,1,0]=4 128 B6R0.6 CCC\C=C/CO LQ1528 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.6 CC\C=C/CCO LT4581 [2,0,0,0,0,0|2,0,0]=4 130 B6R0.6 CC\C=C\CCC HL0123 [2,0,0,0,0,0|1,0,0]=3 131 B6R0.6 CC\C=C\OCC LQ1533 [2,0,0,0,0,0|2,0,0]=4 132 B6R0.6 C\C=C\SCCC YH55419 [2,0,0,0,0,0|0,1,1]=4 133 B8R0.1 CCCC(=O)OCSC XJ6296 [1,1,0,0,0,0|1,0,0]=3 134 B8R0.1 CCCOC(=O)CCC XJ0331 [1,1,0,0,0,0|0,0,0]=2 135 B8R0.1 CCCOC(=O)OCCl RT17526 [1,1,0,0,0,0|1,0,0]=3 136 B8R0.1 CCOC(=O)CCCBr LT5161 [1,1,0,0,0,0|2,0,0]=4 137 B8R0.1 CCOC(=O)CCCN JZ3049 [1,1,0,0,0,0|2,0,0]=4 138 B8R0.1 CCOC(=O)CCSC LT5684 [1,1,0,0,0,0|2,0,0]=4 139 B8R0.1 CCOC(=O)NCCBr RT0086 [1,1,0,0,0,0|2,0,0]=4 140 B8R0.1 CCOC(=O)NCCCl YH11214 [1,1,0,0,0,0|2,0,0]=4 141 B8R0.1 CCOCC(=O)OCC LQ1457 [1,1,0,0,0,0|2,0,0]=4 142 B8R0.3 CCCC(Br)C(=O)OC JZ5299 [1,1,0,0,0,0|2,0,0]=4 143 B8R0.3 CCC[C@H](N)C(=O)OC YH07449 [1,1,0,0,0,0|2,0,0]=4 144 B8R0.6 C=CC(=O)OCCCC XJ0575 [1,1,0,0,0,0|0,0,2]=4 145 B8R0.6 CCCCCC(=O)CC HL1322 [1,1,0,0,0,0|1,0,0]=3 146 B8R0.6 CCCCCC(=O)OC HL1324 [1,1,0,0,0,0|2,0,0]=4 147 B8R0.6 CCCCOC(=O)C=O LQ3022 [1,1,0,0,0,0|1,0,1]=4 148 B8R0.6 CCCCOC(=O)CCl HL0074 [1,1,0,0,0,0|1,0,0]=3 149 B8R0.6 CCCCOC(=O)CO LT4349 [1,1,0,0,0,0|1,0,0]=3 150 B8R0.6 CCC\C=C\C(=O)OC JZ1988 [1,1,0,0,0,0|2,0,0]=4 151 B8R0.6 CCO\C=C\C(=O)CC RT16428 [1,1,0,0,0,0|1,0,1]=4 152 B8R0.6 COC(=O)CCCCCl XJ4043 [1,1,0,0,0,0|2,0,0]=4 153 B8R0.6 COC(=O)CCCCO RT18638 [1,1,0,0,0,0|2,0,0]=4 154 B8R0.6 COC(=O)COCCCl XJ6460 [1,1,0,0,0,0|2,0,0]=4 155 B8R0.8 C=C(C)C(=O)OCCO XJ1395 [1,1,0,0,0,0|1,0,1]=4 156 B8R0.8 CCCOC(=O)[C@H](C)O LQ5281 [1,1,0,0,0,0|0,0,0]=2 157 B8R0.11 CCCCC(C=O)CC XJ0494 [1,1,0,0,0,0|1,0,1]=4 158 B8R0.11 CCCCN(CC)N=O RT0217 [1,1,0,0,0,0|2,0,0]=4 159 B8R0.7 CC(C)CCCCCO RT1226 [1,1,0,0,0,0|1,0,1]=4 160 B8R0.7 CCCCOCC(C)O JZ5031 [1,1,0,0,0,0|1,0,1]=4 161 B8R0.7 CC\C=C\CCC(C)O RT1178 [1,1,0,0,0,0|2,0,0]=4 162 B8R0.28 CC(C)COCC(C)C HL0283 [1,1,0,0,0,0|0,0,1]=3 163 B8R0.28 CC(C)C[AlH3+]CC(C)C JZ4448 [1,1,0,0,0,0|1,0,1]=4 164 B8R0.28 CC(C)C[AlH3+]CC(C)C XJ1920 [1,1,0,0,0,0|1,0,1]=4 165 B8R0.28 CC(O)COCC(C)O XJ0370 [1,1,0,0,0,0|1,0,1]=4 166 B8R0.23 C=C(CC(C)C)C(C)=O RT0525 [1,1,0,0,0,0|1,0,0]=3 167 B8R0.23 CC(C)CC(=O)C(=O)[O-] XJ6659 [1,1,0,0,0,0|2,0,0]=4 168 B8R0.23 CC(C)CC(=O)C(=O)[O-] YH04847 [1,1,0,0,0,0|2,0,0]=4 169 B8R0.23 CC(C)CC(O)C(=O)O XJ0828 [1,1,0,0,0,0|2,0,0]=4 170 B8R0.23 CC(C)C[C@H](N)C(=O)O JZ0522 [1,1,0,0,0,0|2,0,0]=4 171 B8R0.23 CC(C)C[C@H](N)C(N)=O LQ3425 [1,1,0,0,0,0|2,0,0]=4 172 B8R0.23 CC(C)[C@@H](N)CC(=O)O YH59764 [1,1,0,0,0,0|2,0,0]=4 173 B8R0.23 CC(C)[C@H](N)CC(=O)O YH17525 [1,1,0,0,0,0|2,0,0]=4 174 B8R0.29 CC(O)COS(C)(=O)=O RT1361 [1,1,0,0,0,0|2,0,0]=4 175 B8R0.29 C[C@@H](O)COS(C)(=O)=O RT0045 [1,1,0,0,0,0|2,0,0]=4 176 B8R0.29 C[C@@H](O)COS(C)(=O)=O RT0046 [1,1,0,0,0,0|2,0,0]=4 177 B8R0.2 COC(=O)[C@@H](N)C(C)C LT7524 [0,1,0,0,1,0|1,0,0]=3 178 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O HL2513 [0,1,0,0,1,0|2,0,0]=4 179 B8R0.2 COC(=O)[C@H](N)[C@H](C)O LT7528 [0,1,0,0,1,0|2,0,0]=4 180 B8R0.24 CC(C)(C)NC(=O)CCl RT4828 [0,1,0,0,1,0|2,0,0]=4 181 B8R0.24 CC(C)(C)OC(=O)CBr LT6203 [0,1,0,0,1,0|1,0,0]=3 182 B8R0.24 CC(C)(C)OC(=O)CCl LT6201 [0,1,0,0,1,0|1,0,0]=3 183 B8R0.24 CC(C)(C)OC(=O)CI RT1142 [0,1,0,0,1,0|1,0,0]=3 184 B8R0.24 CC(C)(C)OC(=O)CN LT4069 [0,1,0,0,1,0|1,0,0]=3 185 B8R0.24 CC(C)(C)OC(=O)NN XJ1404 [0,1,0,0,1,0|2,0,0]=4 186 B8R0.24 COC(=O)CC(C)(C)C XJ3591 [0,1,0,0,1,0|1,0,0]=3 187 B8R0.34 CCC(C)(O)CC(C)C HL2724 [0,1,0,0,1,0|0,0,2]=4 188 B10R0.3 CCOC(=O)C#CCC(C)O CJ3004 [0,1,0,0,0,1|2,0,0]=4 189 B10R0.3 CCOC(=O)\C=C\CC(C)C RT1131 [0,1,0,0,0,1|1,0,0]=3 190 B10R0.44 COC(=O)CC(=O)CC(C)C YH66121 [0,1,0,0,0,1|2,0,0]=4 191 B10R0.57 CCC(=O)C(C)CC=C(C)C LQ2230 [0,1,0,0,0,1|1,0,1]=4 192 B10R0.98 CC(C)CCOC(=O)C(C)C HL2078 [0,1,0,0,0,1|0,0,0]=2 193 B10R0.93 CC(C)C(=O)OC(=O)C(C)C JZ0380 [0,2,0,0,0,0|0,0,1]=3 194 B10R0.32 CCOC(=O)C(O)CC(C)C YH22141 [0,2,0,0,0,0|1,0,0]=3 195 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C JZ0549 [0,2,0,0,0,0|1,0,0]=3 196 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C RT6793 [0,2,0,0,0,0|1,0,0]=3 197 B10R0.32 CCOC(=O)[C@H](O)CC(C)C RT6792 [0,2,0,0,0,0|1,0,0]=3 198 B10R0.45 COC(=O)CCC(OC)OC RT1139 [0,2,0,0,0,0|2,0,0]=4 199 B10R0.108 COCC(C)OCC(C)OC LL1894 [0,2,0,0,0,0|1,0,1]=4 200 B10R0.26 CCOC(=O)CC(=O)C(C)C JZ1460 [0,2,0,0,0,0|1,0,1]=4 201 B10R0.96 CC(=O)CC(=O)OCC(C)C XJ3346 [0,2,0,0,0,0|0,0,0]=2 202 B8R1.1 C=CC1CCC(=O)O1 LT3251 [1,0,0,1,0,0|0,0,2]=4 203 B8R1.1 NCC1CNC(=O)O1 RT4366 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.1 O=C1CC[C@@H](CO)N1 RT15015 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.1 O=C1CC[C@H](CO)N1 RT14231 [1,0,0,1,0,0|2,0,0]=4 206 B8R1.3 CC1CCC(=O)CC1 HL0070 [1,0,0,1,0,0|1,0,0]=3 207 B8R1.3 CN1CCC(=O)CC1 RT15013 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.3 O=C1CCC(O)CC1 LQ3627 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.3 O=C1CC[C@@H](O)CN1 YH21770 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.3 O=C1CC[C@@H](O)CN1 YH43352 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.3 O=C1CC[C@H](O)CN1 YH48824 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.5 CC1CCCCC1=O XJ1009 [1,0,0,1,0,0|1,0,0]=3 213 B8R1.5 CC1CNCCC1=O YH08115 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.5 NC1CCCNC1=O YH33632 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.5 NN1CCCOC1=O RT4104 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.5 O=C1CCCCC1Br LX2735 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.5 O=C1CCCCC1Cl LQ1480 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.5 O=C1CCCCC1F LQ1350 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.22 O=C1CCCCCC1 LT4672 [1,0,0,1,0,0|1,0,0]=3 220 B8R1.22 O=C1CCCNCC1 XJ5502 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.4 CC1CCCC(C)C1 HL0097 [1,0,0,1,0,0|1,0,1]=4 222 B8R1.4 CC1CNCC(C)C1 LQ4869 [1,0,0,1,0,0|1,0,1]=4 223 B8R1.4 C[C@H]1COC[C@@H](C)N1 YH97076 [1,0,0,1,0,0|1,0,1]=4 224 B8R1.4 C[C@H]1COC[C@H](C)N1 YH36836 [1,0,0,1,0,0|1,0,1]=4 225 B8R1.36 CCCNCC1CC1 LQ4507 [1,0,0,1,0,0|1,0,1]=4 226 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 YH91894 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.51 CC1(C)COC(=O)N1 LT5107 [1,0,0,1,0,0|1,0,0]=3 228 B8R1.51 CC1(C)COC(=O)O1 RT14540 [1,0,0,1,0,0|1,0,0]=3 229 B8R1.77 [C@H]1(C(N)=O)CC1(C)C YH17484 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.18 C=C1CC(C)OC1=O YH10932 [0,0,0,1,1,0|0,0,2]=4 231 B8R1.18 CC1CC(=O)OC1=O LT7128 [0,0,0,1,1,0|1,0,1]=4 232 B8R1.18 CC1CC(=O)OC1=O XJ2618 [0,0,0,1,1,0|1,0,1]=4 233 B10R1.13 CC(C)N1CCC(=O)CC1 XJ2879 [0,0,0,1,0,1|1,0,0]=3 234 B10R1.54 CC(C)CC1CNC(=O)C1 RT14639 [0,0,0,1,0,1|2,0,0]=4 235 B10R1.58 CC1=NC(C(C)C)SC1C LT2872 [0,1,0,1,0,0|2,0,0]=4 236 B10R1.138 [C@H]1(COC(=O)CCC)CO1 XJ5901 [0,1,0,1,0,0|1,0,0]=3 237 B10R2.178 O=C1CCC2CCC1C2 HL2848 [0,0,0,2,0,0|1,0,0]=3 238 B6R0.2 CC(=O)CC(C)=O LQ3994 [1,0,0,0,1,0|1,0,1]=4 239 B6R0.2 CC(=O)CC(C)=O XJ0505 [1,0,0,0,1,0|1,0,1]=4 240 B6R0.2 CC(=O)CC(C)C LQ0378 [1,0,0,0,1,0|0,0,0]=2 241 B6R0.2 CC(=O)OC(C)Br LQ5001 [1,0,0,0,1,0|1,0,0]=3 242 B6R0.2 CC(=O)OC(C)C LQ0385 [1,0,0,0,1,0|0,0,0]=2 243 B6R0.2 CC(Br)CC(=O)O JZ2085 [1,0,0,0,1,0|2,0,0]=4 244 B6R0.2 CC(C)CC(=O)O XJ0871 [1,0,0,0,1,0|1,0,0]=3 245 B6R0.2 CC(C)CC(C)C LQ0376 [1,0,0,0,1,0|1,0,1]=4 246 B6R0.2 CC(C)CC(C)N XJ6268 [1,0,0,0,1,0|1,0,1]=4 247 B6R0.2 CC(C)CC(N)=O XJ0939 [1,0,0,0,1,0|1,0,0]=3 248 B6R0.2 CC(C)C[C@H](C)O JZ4964 [1,0,0,0,1,0|0,0,2]=4 249 B6R0.2 CC(C)OC(=O)Cl LQ0387 [1,0,0,0,1,0|1,0,0]=3 250 B6R0.2 CC(C)OC(=S)[S-] XJ0566 [1,0,0,0,1,0|1,1,0]=4 251 B6R0.2 CC(C)O[N+](=O)[O-] JZ4698 [1,0,0,0,1,0|2,0,0]=4 252 B6R0.2 CC(N)CC(=O)O JZ1398 [1,0,0,0,1,0|2,0,0]=4 253 B6R0.2 CC(O)CC(=O)O LL0657 [1,0,0,0,1,0|2,0,0]=4 254 B6R0.2 CC(O)CC(=O)[O-] LQ0611 [1,0,0,0,1,0|2,0,0]=4 255 B6R0.2 CC(O)CC(=O)[O-] YH53256 [1,0,0,0,1,0|2,0,0]=4 256 B6R0.2 CN(C)CC(=O)Cl CJ3040 [1,0,0,0,1,0|2,0,0]=4 257 B6R0.2 C[C@@H](N)CC(=O)O HL2631 [1,0,0,0,1,0|2,0,0]=4 258 B6R0.2 C[C@H](N)CC(=O)O HL2630 [1,0,0,0,1,0|2,0,0]=4 259 B6R0.2 C[C@H](N)CC(=O)O LQ5428 [1,0,0,0,1,0|2,0,0]=4 260 B6R0.2 C[C@H](N)CC(=O)O YH57972 [1,0,0,0,1,0|2,0,0]=4 261 B6R0.2 C[C@H](N)CC(=O)O YH66623 [1,0,0,0,1,0|2,0,0]=4 262 B6R0.2 C[S+](C)CC(=O)[O-] LQ2769 [1,0,0,0,1,0|2,0,0]=4 263 B6R0.3 CC(C)C(=O)NN XJ2497 [0,0,0,0,2,0|2,0,0]=4 264 B6R0.3 CCC(=O)N(C)C XJ1308 [0,0,0,0,2,0|1,0,0]=3 265 B6R0.3 CCC(=O)N(C)C XJ1318 [0,0,0,0,2,0|1,0,0]=3 266 B6R0.3 CCC(C)C(C)C LL0990 [0,0,0,0,2,0|1,0,1]=4 267 B6R0.3 CCC(O)C(C)C LL0993 [0,0,0,0,2,0|0,0,2]=4 268 B6R0.3 CN(C)C(=O)CCl XJ2231 [0,0,0,0,2,0|2,0,0]=4 269 B6R0.3 CNC(=O)N(C)C LQ1298 [0,0,0,0,2,0|2,0,0]=4 270 B6R0.3 COC(=O)C(C)C HL1985 [0,0,0,0,2,0|1,0,0]=3 271 B6R0.3 COC(=O)C(C)S RT19716 [0,0,0,0,2,0|2,0,0]=4 272 B6R0.3 COC(=O)[C@@H](C)N JZ1659 [0,0,0,0,2,0|2,0,0]=4 273 B6R0.3 COC(=O)[C@@H](C)O RT0506 [0,0,0,0,2,0|2,0,0]=4 274 B6R0.3 [C@@H](C)(N)C(=O)OC JZ1603 [0,0,0,0,2,0|2,0,0]=4