0 B6R0.4 C#CCCC(C)C JZ1939 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.4 C=CCCC(C)C JZ2300 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.4 C=C\C=C\C(=O)O RT1128 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.4 CC(C)=CCCBr HL2172 [0,0,0,0,0,0|1,0,3]=4 4 B6R0.4 CC(C)CCC=O RT0502 [0,0,0,0,0,0|0,0,2]=2 5 B6R0.4 CC(C)CCCBr HL0240 [0,0,0,0,0,0|1,0,3]=4 6 B6R0.4 CC(C)CN=C=S HL0107 [0,0,0,0,0,0|1,1,2]=4 7 B6R0.4 CC(C)COC=O XJ0953 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.4 CC(C)OCCO LQ0441 [0,0,0,0,0,0|1,0,3]=4 9 B6R0.4 CCCSC(C)C HL2844 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.4 CN(C)\C=C\C#N YH66333 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.4 CO\C=C\C(C)=O LQ2718 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 C=CCC(C)C LQ1324 [1,0,0,0,0,0|0,0,1]=2 13 B5R0.1 C=CCC(C)O XJ1184 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.1 C=CCN(C)C JZ1867 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.1 C=COC(C)=O LQ0375 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 C=COC(C)=O LQ4456 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 C=COC(C)=O XJ3468 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CC(=O)CC=O XJ1186 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.1 CC(C)=CCBr YH91045 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.1 CC(C)=CCN YH33589 [1,0,0,0,0,0|1,0,2]=4 21 B5R0.1 CC(C)=CCO LT3091 [1,0,0,0,0,0|0,0,3]=4 22 B5R0.1 CC(C)CC#N XJ1183 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.1 CC(C)CCCl HL1371 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.1 CC(C)CCI XJ0935 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.1 CC(C)N=C=O LT4097 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.1 CC(C)OC=O XJ1196 [1,0,0,0,0,0|1,0,0]=2 27 B5R0.1 CC(O)CC=O HL1375 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.1 CCCC(C)C HL1370 [1,0,0,0,0,0|0,0,3]=4 29 B5R0.1 CCCC(C)C HL4500 [1,0,0,0,0,0|0,0,3]=4 30 B5R0.2 BrC\C=C\CBr LT4968 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.2 C#C\C=C\CO JZ2763 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.2 C=CC\C=C\C HL0119 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.2 C=C\C=C\C=O XJ1340 [1,0,0,0,0,0|0,0,2]=3 34 B5R0.2 CCCC[SnH]=O LQ5214 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.2 CCCN=C=O LL0443 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.2 CCCOC=O LL0440 [1,0,0,0,0,0|1,0,1]=3 37 B5R0.2 CCO\C=C\Cl RT17648 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.2 CC\C=C\CC JZ3712 [1,0,0,0,0,0|1,0,1]=3 39 B5R0.2 COCCC=O YH51649 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.2 CO\C=C\C#N LT6188 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.2 CSCCC=O LT3092 [1,0,0,0,0,0|1,0,2]=4 42 B5R0.2 C\C=C\CCC XJ2577 [1,0,0,0,0,0|1,0,1]=3 43 B5R0.2 ClC\C=C/CCl LT6210 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 ClC\C=C\CCl LL0426 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.2 OC\C=C\CBr RT1108 [1,0,0,0,0,0|1,0,2]=4 46 B7R0.2 C=CC(=O)NC(C)C JZ1950 [0,1,0,0,0,0|2,0,0]=3 47 B7R0.2 CC(C)NC(=O)CCl LQ2337 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.2 CC(C)NC(=O)CN LL1178 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.2 CC(C)OC(=O)CCl XJ0319 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.2 CCC(=O)OC(C)C JZ4049 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.2 COC(=O)C=C(C)C LQ1499 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.4 C(=O)OCCC(C)C LL0422 [0,1,0,0,0,0|0,0,2]=3 53 B7R0.4 C=CCCCC(C)C JZ3497 [0,1,0,0,0,0|1,0,2]=4 54 B7R0.4 CC(C)CCCC=O RT0513 [0,1,0,0,0,0|0,0,2]=3 55 B7R0.5 CC(C)[C@H](C)N=C=O HL4545 [0,1,0,0,0,0|1,0,2]=4 56 B7R0.6 CC(=O)CCC(C)C LL0404 [0,1,0,0,0,0|0,0,2]=3 57 B7R0.6 CC(=O)\C=C\C(=O)O JZ2572 [0,1,0,0,0,0|1,0,1]=3 58 B7R0.6 CC(=O)\C=C\C(=O)O YH65778 [0,1,0,0,0,0|1,0,1]=3 59 B7R0.6 CC(=O)\C=C\C(C)C LQ2825 [0,1,0,0,0,0|0,0,0]=1 60 B7R0.6 CC(=O)\C=C\N(C)C RT1440 [0,1,0,0,0,0|1,0,0]=2 61 B7R0.6 CC(C)=CC=C(C)C XJ1337 [0,1,0,0,0,0|1,0,1]=3 62 B7R0.6 CC(C)CCC(=O)O XJ1215 [0,1,0,0,0,0|0,0,2]=3 63 B7R0.6 CC(C)CNC(N)=O RT15753 [0,1,0,0,0,0|1,0,1]=3 64 B7R0.6 CC(C)COC(=O)Cl XJ0965 [0,1,0,0,0,0|1,0,1]=3 65 B7R0.6 CC(Cl)\C=C\C(=O)Cl RT17663 [0,1,0,0,0,0|1,0,0]=2 66 B7R0.6 C[S+](C)CCC(=O)O RT0388 [0,1,0,0,0,0|1,0,2]=4 67 B7R0.6 C[S+](C)CCC(=O)[O-] LQ3247 [0,1,0,0,0,0|1,0,2]=4 68 B7R0.6 NC(=O)\C=C/C(=O)O LQ1029 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.6 O=C([O-])\C=C\C(=O)O LQ3341 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.6 OC(=O)\C=C\C(=O)O JZ1539 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.8 C[Si](C)(C)C#CC=O XJ2314 [0,1,0,0,0,0|0,1,2]=4 72 B7R1.2 CC1=CC=C(C)N1 XJ1201 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.2 CC1=CC=C(C)O1 JZ0985 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.2 CC1=CC=C(C)S1 LT0161 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.2 CC1=CCC(=O)O1 HL0093 [0,0,0,1,0,0|1,0,2]=4 76 B7R1.2 CC1=NNC(=O)C1 LQ0389 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.2 CC1CCC(=O)C1 XJ1883 [0,0,0,1,0,0|0,0,2]=3 78 B7R1.2 CC1CSC(=O)S1 RT14660 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.2 CN1C=CC(N)=N1 YH42950 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.2 CN1CCC(=O)C1 XJ6122 [0,0,0,1,0,0|1,0,2]=4 81 B7R1.2 C[C@H]1COC(=O)N1 YH59595 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.2 O=C1C=CC(=O)N1 LT7482 [0,0,0,1,0,0|2,0,1]=4 83 B7R1.2 O=C1C=CC(=O)O1 LQ0391 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.2 O=C1C=CC(=O)O1 LT3790 [0,0,0,1,0,0|2,0,1]=4 85 B7R1.2 O=C1CC(O)CN1 RT4517 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.2 O=C1C[C@@H](O)CN1 RT3914 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.2 O=C1C[C@H](O)CN1 M0400303 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.3 CC1=CCC=CC1 LQ2664 [0,0,0,1,0,0|1,0,2]=4 89 B7R1.3 CC1=CN=CC=C1 JZ1098 [0,0,0,1,0,0|1,0,2]=4 90 B7R1.3 CC1=NC=CC=C1 JZ2441 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.3 CC1=NC=CC=C1 JZ4543 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.3 OC1C=CCCC1 YH66647 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.14 CC1(C)COC=N1 XJ5048 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.17 CC1(C)COC1=O RT14112 [0,0,0,1,0,0|1,0,1]=3 95 B4R0.1 C(=O)N(C)C YH13617 [2,0,0,0,0,0|1,0,0]=3 96 B4R0.1 C=C(C)C=O RT1202 [2,0,0,0,0,0|0,0,2]=4 97 B4R0.1 C=C=C(C)C LQ1135 [2,0,0,0,0,0|0,0,2]=4 98 B4R0.1 C=CC(C)Cl LQ1061 [2,0,0,0,0,0|1,0,0]=3 99 B4R0.1 CC(C)CI HL1913 [2,0,0,0,0,0|1,0,1]=4 100 B4R0.1 CC(C)CS HL1915 [2,0,0,0,0,0|0,1,1]=4 101 B4R0.1 CC(C)NN LQ3967 [2,0,0,0,0,0|2,0,0]=4 102 B4R0.1 CC(C)NO LT5054 [2,0,0,0,0,0|1,0,1]=4 103 B4R0.1 CN(C)N=O RT4837 [2,0,0,0,0,0|2,0,0]=4 104 B4R0.1 COC(C)C RT17590 [2,0,0,0,0,0|1,0,1]=4 105 B4R0.1 CSC(C)C LT4098 [2,0,0,0,0,0|1,0,1]=4 106 B4R0.1 O=CC(Cl)Br RT17654 [2,0,0,0,0,0|2,0,0]=4 107 B4R0.1 O=CC(Cl)Cl RT1083 [2,0,0,0,0,0|2,0,0]=4 108 B4R0.2 C=CCCBr LQ2822 [2,0,0,0,0,0|1,0,1]=4 109 B4R0.2 C=CCCN LQ2198 [2,0,0,0,0,0|1,0,1]=4 110 B4R0.2 C=CCOC HL0257 [2,0,0,0,0,0|1,0,1]=4 111 B4R0.2 C=C\C=C\C XJ0878 [2,0,0,0,0,0|0,0,1]=3 112 B4R0.2 CCOC=N LQ3955 [2,0,0,0,0,0|2,0,0]=4 113 B4R0.2 CCOC=O LL0396 [2,0,0,0,0,0|1,0,0]=3 114 B4R0.2 CSCC=O JZ5555 [2,0,0,0,0,0|1,0,1]=4 115 B4R0.2 C\C=C/CO YH00287 [2,0,0,0,0,0|0,0,2]=4 116 B4R0.2 C\C=C\C=O XJ0511 [2,0,0,0,0,0|0,0,0]=2 117 B4R0.2 C\C=C\CC XJ1213 [2,0,0,0,0,0|0,0,1]=3 118 B4R0.2 C\C=C\CCl HL0110 [2,0,0,0,0,0|1,0,1]=4 119 B4R0.2 C\C=C\CN YH07653 [2,0,0,0,0,0|1,0,1]=4 120 B4R0.2 Cl\C=C\CCl XJ0956 [2,0,0,0,0,0|2,0,0]=4 121 B4R0.2 O=C[N-]C=O YH41619 [2,0,0,0,0,0|2,0,0]=4 122 B6R0.1 CCC(C)CC=O JZ5060 [1,1,0,0,0,0|0,0,1]=3 123 B6R0.1 CSC(C)CC=O LT2625 [1,1,0,0,0,0|0,0,1]=3 124 B6R0.1 C\C=C\C(C)=C\C LQ4645 [1,1,0,0,0,0|0,0,2]=4 125 B6R0.2 CC(=O)CC(C)C LQ0378 [1,1,0,0,0,0|0,0,1]=3 126 B6R0.2 CC(=O)OC(C)Br LQ5001 [1,1,0,0,0,0|2,0,0]=4 127 B6R0.2 CC(=O)OC(C)C LQ0385 [1,1,0,0,0,0|1,0,0]=3 128 B6R0.2 CC(=O)\C=C(/C)N XJ1576 [1,1,0,0,0,0|1,0,1]=4 129 B6R0.2 CC(=O)\C=C(/C)[O-] LL2811 [1,1,0,0,0,0|1,0,1]=4 130 B6R0.2 CC(=O)\C=C(\C)[O-] JZ5312 [1,1,0,0,0,0|1,0,1]=4 131 B6R0.2 CC(=O)\C=C(\C)[O-] LL1065 [1,1,0,0,0,0|1,0,1]=4 132 B6R0.2 CC(=O)\C=C(\C)[O-] LQ3492 [1,1,0,0,0,0|1,0,1]=4 133 B6R0.2 CC(=O)\C=C(\C)[O-] XJ4055 [1,1,0,0,0,0|1,0,1]=4 134 B6R0.2 CC(=O)\C=C(\C)[O-] XJ4174 [1,1,0,0,0,0|1,0,1]=4 135 B6R0.2 CC(Br)CC(=O)O JZ2085 [1,1,0,0,0,0|1,0,1]=4 136 B6R0.2 CC(C)=CC(=O)O XJ0940 [1,1,0,0,0,0|0,0,1]=3 137 B6R0.2 CC(C)CC(=O)O XJ0871 [1,1,0,0,0,0|0,0,1]=3 138 B6R0.2 CC(C)CC(N)=O XJ0939 [1,1,0,0,0,0|0,0,1]=3 139 B6R0.2 CC(C)NC(N)=S JZ4711 [1,1,0,0,0,0|1,1,0]=4 140 B6R0.2 CC(C)OC(=O)Cl LQ0387 [1,1,0,0,0,0|1,0,0]=3 141 B6R0.2 CC(C)OC(=S)[S-] XJ0566 [1,1,0,0,0,0|1,1,0]=4 142 B6R0.2 CC(C)O[N+](=O)[O-] JZ4698 [1,1,0,0,0,0|2,0,0]=4 143 B6R0.2 CC(C)SC(=N)N XJ5791 [1,1,0,0,0,0|2,0,0]=4 144 B6R0.2 CC(N)CC(=O)O JZ1398 [1,1,0,0,0,0|1,0,1]=4 145 B6R0.2 CC(O)CC(=O)O LL0657 [1,1,0,0,0,0|1,0,1]=4 146 B6R0.2 CC(O)CC(=O)[O-] LQ0611 [1,1,0,0,0,0|1,0,1]=4 147 B6R0.2 CC(O)CC(=O)[O-] YH53256 [1,1,0,0,0,0|1,0,1]=4 148 B6R0.2 CN(C)CC(=O)Cl CJ3040 [1,1,0,0,0,0|1,0,1]=4 149 B6R0.2 C[C@@H](N)CC(=O)O HL2631 [1,1,0,0,0,0|1,0,1]=4 150 B6R0.2 C[C@H](N)CC(=O)O HL2630 [1,1,0,0,0,0|1,0,1]=4 151 B6R0.2 C[C@H](N)CC(=O)O LQ5428 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.2 C[C@H](N)CC(=O)O YH57972 [1,1,0,0,0,0|1,0,1]=4 153 B6R0.2 C[C@H](N)CC(=O)O YH66623 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.2 C[S+](C)CC(=O)[O-] LQ2769 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.3 CC(C)C(=O)NN XJ2497 [1,1,0,0,0,0|2,0,0]=4 156 B6R0.3 COC(=O)C(C)C HL1985 [1,1,0,0,0,0|1,0,1]=4 157 B6R0.5 C=CC[N+](C)(C)C LQ1810 [1,1,0,0,0,0|1,0,1]=4 158 B6R0.5 CC(C)(C)N=C=O XJ1845 [1,1,0,0,0,0|1,0,1]=4 159 B6R0.5 CC(C)(C)NC=O JZ2037 [1,1,0,0,0,0|1,0,0]=3 160 B6R0.5 C[N+](C)(C)CC=O RT17781 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.5 C[Si](C)(C)\C=C\I YH66357 [1,1,0,0,0,0|1,1,0]=4 162 B6R0.6 CCC\C=C/CO LQ1528 [1,1,0,0,0,0|0,0,2]=4 163 B6R0.6 CCC\C=C\C=O LQ3146 [1,1,0,0,0,0|0,0,0]=2 164 B6R0.6 CC\C=C/CCO LT4581 [1,1,0,0,0,0|0,0,2]=4 165 B6R0.6 CC\C=C\CCC HL0123 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.6 CC\C=C\OCC LQ1533 [1,1,0,0,0,0|1,0,1]=4 167 B6R0.6 C\C=C\CCCO XJ3000 [1,1,0,0,0,0|1,0,1]=4 168 B6R0.6 C\C=C\SCCC YH55419 [1,1,0,0,0,0|1,0,1]=4 169 B6R0.6 O=CCCCCO YH66094 [1,1,0,0,0,0|0,0,2]=4 170 B8R0.23 C=C(CC(C)C)C(C)=O RT0525 [0,2,0,0,0,0|0,0,1]=3 171 B8R0.23 C=C(CN(C)C)C(=O)O RT17687 [0,2,0,0,0,0|1,0,1]=4 172 B8R0.23 CC(C)CC(=O)C(=O)[O-] XJ6659 [0,2,0,0,0,0|0,0,1]=3 173 B8R0.23 CC(C)CC(=O)C(=O)[O-] YH04847 [0,2,0,0,0,0|0,0,1]=3 174 B8R0.23 CC(C)CC(O)C(=O)O XJ0828 [0,2,0,0,0,0|0,0,2]=4 175 B8R0.23 CC(C)C[C@H](N)C(=O)O JZ0522 [0,2,0,0,0,0|0,0,2]=4 176 B8R0.23 CC(C)C[C@H](N)C(N)=O LQ3425 [0,2,0,0,0,0|0,0,2]=4 177 B8R0.23 CC(C)[C@@H](N)CC(=O)O YH59764 [0,2,0,0,0,0|0,0,2]=4 178 B8R0.23 CC(C)[C@H](N)CC(=O)O YH17525 [0,2,0,0,0,0|0,0,2]=4 179 B8R0.24 C=CC(=O)NC(C)(C)C HL1361 [0,2,0,0,0,0|2,0,0]=4 180 B8R0.1 C(=O)\C=C\C(=O)OCC JZ2204 [0,2,0,0,0,0|1,0,1]=4 181 B8R0.9 C=CC(=O)OCC(C)C HL1320 [0,2,0,0,0,0|1,0,1]=4 182 B8R0.9 CCC(=O)OCC(C)C XJ0923 [0,2,0,0,0,0|1,0,1]=4 183 B8R0.9 CCC(C)COC(=O)Cl RT18691 [0,2,0,0,0,0|1,0,1]=4 184 B8R0.9 CNC(=O)\C=C/C(=O)O JZ3047 [0,2,0,0,0,0|1,0,1]=4 185 B8R0.9 COC(=O)\C=C/C(=O)O HL2437 [0,2,0,0,0,0|1,0,1]=4 186 B8R0.7 CC(C)CCCCC=O RT0529 [0,2,0,0,0,0|0,0,2]=4 187 B8R0.21 C=C\C=C\O[Si](C)(C)C LQ3113 [0,2,0,0,0,0|1,1,0]=4 188 B8R0.21 CC(C)(S)CCOC=O RT1370 [0,2,0,0,0,0|0,0,2]=4 189 B8R0.28 CC(=O)NCCC(C)C YH32371 [0,2,0,0,0,0|0,0,2]=4 190 B8R0.28 CC(=O)SCC=C(C)C RT19804 [0,2,0,0,0,0|0,0,2]=4 191 B8R0.28 CC(C)CCCC(=O)O HL0282 [0,2,0,0,0,0|0,0,2]=4 192 B8R0.28 CC(C)C\C=C\B(O)O LL2619 [0,2,0,0,0,0|0,0,2]=4 193 B8R0.28 CC(C)C\C=C\C(=O)O RT1138 [0,2,0,0,0,0|0,0,0]=2 194 B8R0.28 CN(C)C\C=C\C(=O)O RT4916 [0,2,0,0,0,0|1,0,0]=3 195 B6R1.2 CC1=CC=CC1 LQ4531 [1,0,0,1,0,0|0,0,1]=3 196 B6R1.2 CC1=CC=CO1 RT14148 [1,0,0,1,0,0|1,0,1]=4 197 B6R1.2 CC1=CC=CS1 HL0035 [1,0,0,1,0,0|1,0,1]=4 198 B6R1.2 CN1C=CC=N1 LQ1547 [1,0,0,1,0,0|2,0,0]=4 199 B6R1.2 ClC1C=CCC1 LL0239 [1,0,0,1,0,0|1,0,1]=4 200 B6R1.2 NC1CC=CC1 YH95418 [1,0,0,1,0,0|1,0,1]=4 201 B6R1.2 OC1CC=CC1 XJ4083 [1,0,0,1,0,0|1,0,1]=4 202 B6R1.2 [Co]C1C=CC=C1 LQ3485 [1,0,0,1,0,0|1,0,1]=4 203 B6R1.2 [Mn]C1C=CC=C1 LT4683 [1,0,0,1,0,0|1,0,1]=4 204 B6R1.2 [Mo+4]C1=CC=CC1 XJ5999 [1,0,0,1,0,0|1,0,1]=4 205 B6R1.2 [Ti+3]C1=CC=CC1 XJ1684 [1,0,0,1,0,0|1,0,1]=4 206 B6R1.2 [TlH2]C1=CC=CC1 XJ5195 [1,0,0,1,0,0|1,0,1]=4 207 B6R1.2 [Zr+3]C1=CC=CC1 XJ5181 [1,0,0,1,0,0|1,0,1]=4 208 B6R1.3 C(=O)NC1CC1 RT15774 [1,0,0,1,0,0|1,0,0]=3 209 B6R1.5 CC1CC(=O)O1 HL2455 [1,0,0,1,0,0|1,0,0]=3 210 B6R1.1 C1=CCCC=C1 HL0121 [1,0,0,1,0,0|1,0,0]=3 211 B6R1.1 C1=CCCC=C1 LQ3529 [1,0,0,1,0,0|1,0,0]=3 212 B6R1.1 C1=CCCCC1 LL0447 [1,0,0,1,0,0|1,0,1]=4 213 B6R1.1 C1=CCOCC1 RT15029 [1,0,0,1,0,0|0,0,2]=4 214 B6R1.1 C1=COCCC1 JZ1390 [1,0,0,1,0,0|0,0,2]=4 215 B8R1.1 CC1=CC=C(C=O)S1 JZ4813 [0,1,0,1,0,0|1,0,1]=4 216 B8R1.1 CC1=CSC(C=O)=C1 YH65858 [0,1,0,1,0,0|0,0,2]=4 217 B8R1.1 CC1=CSC(C=O)=N1 YH33412 [0,1,0,1,0,0|1,0,1]=4 218 B8R1.1 CC1=NC=C(C=O)S1 YH20366 [0,1,0,1,0,0|1,0,1]=4 219 B8R1.1 O=C1C=C[C@H](CO)O1 LL1404 [0,1,0,1,0,0|1,0,0]=3 220 B8R1.4 C[C@H]1CC(=O)CCO1 YH66361 [0,1,0,1,0,0|0,0,2]=4 221 B8R1.18 C=C1CC(C)OC1=O YH10932 [0,1,0,1,0,0|1,0,1]=4 222 B8R1.18 CC1=CC(=O)OC1O LT3256 [0,1,0,1,0,0|2,0,0]=4 223 B8R1.18 CC1CC(=O)OC1=O LT7128 [0,1,0,1,0,0|1,0,0]=3 224 B8R1.18 CC1CC(=O)OC1=O XJ2618 [0,1,0,1,0,0|1,0,0]=3 225 B8R1.18 CC1NC(=O)NC1=O HL4334 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.18 CC1NC(=O)NC1=O LQ1179 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.18 CN1CC(=O)NC1=N LL0056 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.18 CN1CC(=O)OC1=O RT17690 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.18 C[C@@H]1NC(=O)NC1=O RT15744 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.18 [C@@H]1(C)NC(=O)OC1=O CJ3145 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.51 CC1(C)COC(=O)N1 LT5107 [0,1,0,1,0,0|1,0,1]=4 232 B8R1.51 CC1(C)COC(=O)O1 RT14540 [0,1,0,1,0,0|1,0,1]=4 233 B8R1.51 NC1C=CS(=O)(=O)C1 RT4665 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.2 COC1=CC=CCC1 JZ1877 [0,1,0,1,0,0|1,0,1]=4 235 B8R1.2 OCC1CCC=CO1 LT2060 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.3 CC1=CCC(=O)CC1 RT16462 [0,1,0,1,0,0|0,0,2]=4 237 B8R1.3 CC1CCC(=O)CC1 HL0070 [0,1,0,1,0,0|0,0,2]=4 238 B8R1.3 CN1C=CC(=O)C=C1 RT6737 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.5 CC1=C(C)C=CC=C1 LQ0273 [0,1,0,1,0,0|1,0,1]=4 240 B8R1.50 CC1=CC=C(C)N1C LQ1553 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.7 CC(C)C1=CC=CO1 JZ3469 [0,1,0,1,0,0|0,0,1]=3 242 B8R1.7 CC(C)C1=NC=CN1 LT1583 [0,1,0,1,0,0|1,0,0]=3 243 B8R1.7 CC(C)N1C=CN=C1 LX2496 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.7 CC(N)C1=CN=CO1 RT14536 [0,1,0,1,0,0|1,0,1]=4 245 B8R1.7 C[C@@H](N)C1=CC=CO1 RT3868 [0,1,0,1,0,0|1,0,1]=4 246 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 YH91894 [0,1,0,1,0,0|0,0,2]=4 247 B8R1.77 [C@H]1(C(N)=O)CC1(C)C YH17484 [0,1,0,1,0,0|0,0,2]=4