0 B18R0.221 CCCCC=CCCCCCCCCCCCCO TS73799 [0,0,0,0,0,0|0,0,4]=4 1 B18R0.221 CCCCCC=CCC=CCC=CCCCCCO TS68880 [0,0,0,0,0,0|0,0,4]=4 2 B18R0.221 CCCCCC=CCC=CCCCCCCCCO TS30335 [0,0,0,0,0,0|0,0,2]=2 3 B18R0.221 CCCCCCCCC=CCCCCCCCCBr TS63734 [0,0,0,0,0,0|1,0,0]=1 4 B18R0.221 CCCCCCCCC=CCCCCCCCCCl TS35013 [0,0,0,0,0,0|1,0,0]=1 5 B18R0.221 CCCCCCCCC=CCCCCCCCCN TS30446 [0,0,0,0,0,0|1,0,0]=1 6 B18R0.221 CCCCCCCCC=CCCCCCCCCN TS35089 [0,0,0,0,0,0|1,0,0]=1 7 B18R0.221 CCCCCCCCC=CCCCCCCCCO TS73800 [0,0,0,0,0,0|0,0,0]=0 8 B18R0.221 CCCCCCCCC=CCCCCCCCCO TS73806 [0,0,0,0,0,0|0,0,0]=0 9 B18R0.221 CCCCCCCCCCCC=CCCCCCO TS73801 [0,0,0,0,0,0|0,0,4]=4 10 B18R0.221 CCCCCCCCCCCCCCCCCC=C TS30342 [0,0,0,0,0,0|1,0,3]=4 11 B18R0.221 CCCCCCCCCCCCCCCCCCBr TS78075 [0,0,0,0,0,0|1,0,2]=3 12 B18R0.221 CCCCCCCCCCCCCCCCCCC TS30596 [0,0,0,0,0,0|1,0,2]=3 13 B18R0.221 CCCCCCCCCCCCCCCCCCCl TS57987 [0,0,0,0,0,0|1,0,2]=3 14 B18R0.221 CCCCCCCCCCCCCCCCCCN TS60542 [0,0,0,0,0,0|1,0,2]=3 15 B18R0.221 CCCCCCCCCCCCCCCCCCN TS63610 [0,0,0,0,0,0|1,0,2]=3 16 B18R0.221 CCCCCCCCCCCCCCCCCCN TS73921 [0,0,0,0,0,0|1,0,2]=3 17 B18R0.221 CCCCCCCCCCCCCCCCCCO TS30877 [0,0,0,0,0,0|0,0,2]=2 18 B18R0.221 CCCCCCCCCCCCCCCCCCS TS54967 [0,0,0,0,0,0|0,1,2]=3 19 B18R0.221 CCCCCCCCCCCCCCCCCC[Si] TS34794 [0,0,0,0,0,0|1,0,2]=3 20 B18R0.221 CCCCCCCCCCCCCCNCCCN TS30880 [0,0,0,0,0,0|2,0,2]=4 21 B18R0.221 CCCCCCCCCCCCCCOCCCN TS74165 [0,0,0,0,0,0|2,0,2]=4 22 B18R0.221 CCCCCCCCCCCCOCCOCCO TS33629 [0,0,0,0,0,0|2,0,2]=4 23 B18R0.221 CCCCCCCCCNCCCCCCCCC TS73923 [0,0,0,0,0,0|2,0,1]=3 24 B18R0.221 CCCCCCCCCOCCCCCCCCC TS84196 [0,0,0,0,0,0|2,0,1]=3 25 B18R0.221 CCCCCCCCCSCCCCCCCCC TS54968 [0,0,0,0,0,0|2,0,1]=3 26 B17R0.117 C(CCCCCCCCBr)CCCCCCCBr TS67302 [1,0,0,0,0,0|2,0,1]=4 27 B17R0.117 C(CCCCCCCCBr)CCCCCCCO TS77296 [1,0,0,0,0,0|1,0,1]=3 28 B17R0.117 C(CCCCCCCCO)CCCCCCCO TS68194 [1,0,0,0,0,0|1,0,1]=3 29 B17R0.117 C(CCCCCCCCS)CCCCCCCO TS30958 [1,0,0,0,0,0|1,0,1]=3 30 B17R0.117 CCCCCCCCC#CCCCCCCCC TS62916 [1,0,0,0,0,0|0,0,2]=3 31 B17R0.117 CCCCCCCCC=CCCCCCCCC TS63185 [1,0,0,0,0,0|0,0,0]=1 32 B17R0.117 CCCCCCCCCCCCCCCCC#C TS62915 [1,0,0,0,0,0|1,0,2]=4 33 B17R0.117 CCCCCCCCCCCCCCCCC#N TS63027 [1,0,0,0,0,0|1,0,2]=4 34 B17R0.117 CCCCCCCCCCCCCCCCC=C TS28386 [1,0,0,0,0,0|1,0,2]=4 35 B17R0.117 CCCCCCCCCCCCCCCCCBr TS61503 [1,0,0,0,0,0|1,0,1]=3 36 B17R0.117 CCCCCCCCCCCCCCCCCC TS28692 [1,0,0,0,0,0|0,0,2]=3 37 B17R0.117 CCCCCCCCCCCCCCCCCN TS67766 [1,0,0,0,0,0|1,0,1]=3 38 B17R0.117 CCCCCCCCCCCCCCCCCO TS67917 [1,0,0,0,0,0|0,0,1]=2 39 B17R0.117 CCCCCCCCCCCCCCCCCS TS74293 [1,0,0,0,0,0|0,1,1]=3 40 B17R0.117 CCCCCCCCCCCCCCCCC[Na] TS79456 [1,0,0,0,0,0|1,0,1]=3 41 B17R0.117 CCCCCCCCCCCCCCCCSC TS74292 [1,0,0,0,0,0|1,0,2]=4 42 B17R0.117 CCCCCCCCCCCCCCOCCO TS68192 [1,0,0,0,0,0|1,0,1]=3 43 B17R0.117 CCCCCCCCOCCOCCOCCO TS29832 [1,0,0,0,0,0|3,0,0]=4 44 B17R0.117 CCCCCCCCSSCCCCCCCC TS58127 [1,0,0,0,0,0|2,0,0]=3 45 B19R0.36 C(CCCCCCCCCBr)CCCCCCCCBr TS69651 [0,1,0,0,0,0|1,0,2]=4 46 B19R0.36 CCCCCCCCCCCCCCCCCCC#N TS54276 [0,1,0,0,0,0|1,0,2]=4 47 B19R0.36 CCCCCCCCCCCCCCCCCCC=C TS34247 [0,1,0,0,0,0|1,0,2]=4 48 B19R0.36 CCCCCCCCCCCCCCCCCCCBr TS78869 [0,1,0,0,0,0|1,0,2]=4 49 B19R0.36 CCCCCCCCCCCCCCCCCCCC TS34467 [0,1,0,0,0,0|1,0,2]=4 50 B19R0.36 CCCCCCCCCCCCCCCCCCCN TS34664 [0,1,0,0,0,0|1,0,2]=4 51 B19R0.36 CCCCCCCCCCCCCCCCCCCO TS34789 [0,1,0,0,0,0|0,0,2]=3 52 B19R0.36 CCCCCCCCCCCCCCCCCCNC TS34663 [0,1,0,0,0,0|1,0,2]=4 53 B19R0.36 CCCCCCCCCCCCCCCCCCSC TS59010 [0,1,0,0,0,0|0,1,2]=4 54 B19R0.36 CCCCCCCCCCCCCCCCCC[Mg]Cl TS61055 [0,1,0,0,0,0|1,0,2]=4 55 B19R0.36 CCCCCCCCCCCCCCCCOCCO TS54961 [0,1,0,0,0,0|0,0,2]=3 56 B19R0.36 CCCCCCCCCSSCCCCCCCCC TS61451 [0,1,0,0,0,0|2,0,1]=4 57 B19R0.148 CCCCCCCCCCCCCCCCC(C)CC TS34464 [0,1,0,0,0,0|1,0,2]=4 58 B19R0.148 CCCCCCCCCCCCCCCC[C@@H](CO)O TS54958 [0,1,0,0,0,0|0,0,2]=3 59 B19R0.148 CCCCCCCCCCCCCCCC[C@H](CO)O TS54962 [0,1,0,0,0,0|0,0,2]=3 60 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O TS39920 [0,1,0,0,0,0|0,0,3]=4 61 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O TS54366 [0,1,0,0,0,0|0,0,3]=4 62 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O TS70086 [0,1,0,0,0,0|0,0,3]=4 63 B19R0.149 CCCCCCCC=CCCCCCCCCC(=O)O TS54553 [0,1,0,0,0,0|0,0,3]=4 64 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O TS54370 [0,1,0,0,0,0|0,0,3]=4 65 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)Cl TS74658 [0,1,0,0,0,0|0,0,2]=3 66 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)Cl TS74659 [0,1,0,0,0,0|0,0,2]=3 67 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)N TS34358 [0,1,0,0,0,0|0,0,2]=3 68 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O TS54559 [0,1,0,0,0,0|0,0,1]=2 69 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O TS54562 [0,1,0,0,0,0|0,0,1]=2 70 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O TS64263 [0,1,0,0,0,0|0,0,1]=2 71 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O TS66790 [0,1,0,0,0,0|0,0,1]=2 72 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O TS80992 [0,1,0,0,0,0|0,0,1]=2 73 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O TS81972 [0,1,0,0,0,0|0,0,1]=2 74 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O TS84962 [0,1,0,0,0,0|0,0,1]=2 75 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] TS61613 [0,1,0,0,0,0|0,0,2]=3 76 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] TS74547 [0,1,0,0,0,0|0,0,2]=3 77 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] TS74974 [0,1,0,0,0,0|0,0,2]=3 78 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] TS75115 [0,1,0,0,0,0|0,0,2]=3 79 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] TS75769 [0,1,0,0,0,0|0,0,2]=3 80 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] TS81457 [0,1,0,0,0,0|0,0,2]=3 81 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] TS84004 [0,1,0,0,0,0|0,0,2]=3 82 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O TS34775 [0,1,0,0,0,0|0,0,3]=4 83 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O TS54859 [0,1,0,0,0,0|0,0,3]=4 84 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O TS64393 [0,1,0,0,0,0|0,0,3]=4 85 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O TS78613 [0,1,0,0,0,0|0,0,3]=4 86 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O TS93617 [0,1,0,0,0,0|0,0,3]=4 87 B19R0.149 CCCCCCCCCCCCCCCCCC(C)C TS34462 [0,1,0,0,0,0|1,0,2]=4 88 B19R0.149 CCCCCCCCCCCCCCCCCC(C)O TS34788 [0,1,0,0,0,0|0,0,2]=3 89 B19R0.149 CCCCCCCCCSCCCCCCCC(=O)O TS74817 [0,1,0,0,0,0|1,0,2]=4 90 B19R0.18065 CCCCCCC(CCCCCCCCCCCO)O TS54959 [0,1,0,0,0,0|0,0,2]=3 91 B19R0.18065 CCCCCC[C@H](CC=CCCCCCCCCO)O TS54775 [0,1,0,0,0,0|0,0,0]=1 92 B19R0.23229 CCCCCCCCCCN(C)CCCCCCCC TS34662 [0,1,0,0,0,0|2,0,1]=4 93 B19R0.26208 CCCCCCCCCC(=O)CCCCCCCCC TS34460 [0,1,0,0,0,0|1,0,1]=3 94 B19R0.26208 CCCCCCCCCC(=O)OCCCCCCCC TS34778 [0,1,0,0,0,0|2,0,0]=3 95 B19R0.26208 CCCCCCCCCC(C)CCCCCCCCC TS34466 [0,1,0,0,0,0|1,0,2]=4 96 B19R0.26208 CCCCCCCCCC(CCCCCCCCC)O TS34787 [0,1,0,0,0,0|1,0,2]=4 97 B19R0.26208 CCCCCCCCNC(=S)NCCCCCCCC TS59007 [0,1,0,0,0,0|3,0,0]=4 98 B19R1.275 CCCCCCCCCCCCCC1CCCCC1 TS30341 [0,0,0,1,0,0|1,0,2]=4 99 B19R1.46520 CCCCCCCCCCCCCCCCC1CO1 TS73804 [0,0,0,1,0,0|0,0,2]=3 100 B16R0.303 C#CCCCCCCCCCCCCCCO TS57151 [2,0,0,0,0,0|0,0,2]=4 101 B16R0.303 C(CCCCCCCO)CCCCCCCBr TS34610 [2,0,0,0,0,0|1,0,0]=3 102 B16R0.303 C(CCCCCCCO)CCCCCCCO TS46752 [2,0,0,0,0,0|1,0,0]=3 103 B16R0.303 CCCCC#CCCCCCCCCCCO TS57149 [2,0,0,0,0,0|0,0,2]=4 104 B16R0.303 CCCCCCC#CCCCCCCCCO TS57146 [2,0,0,0,0,0|0,0,2]=4 105 B16R0.303 CCCCCCC=CCCCCCCCCO TS26581 [2,0,0,0,0,0|0,0,0]=2 106 B16R0.303 CCCCCCCCC#CCCCCCCO TS57148 [2,0,0,0,0,0|0,0,2]=4 107 B16R0.303 CCCCCCCCC=CCCCCCCC TS26264 [2,0,0,0,0,0|0,0,0]=2 108 B16R0.303 CCCCCCCCCCCCCCCC#C TS25957 [2,0,0,0,0,0|1,0,1]=4 109 B16R0.303 CCCCCCCCCCCCCCCC=C TS26263 [2,0,0,0,0,0|1,0,1]=4 110 B16R0.303 CCCCCCCCCCCCCCCCBr TS00418 [2,0,0,0,0,0|1,0,0]=3 111 B16R0.303 CCCCCCCCCCCCCCCCC TS26591 [2,0,0,0,0,0|0,0,1]=3 112 B16R0.303 CCCCCCCCCCCCCCCCC TS61610 [2,0,0,0,0,0|0,0,1]=3 113 B16R0.303 CCCCCCCCCCCCCCCCCl TS68440 [2,0,0,0,0,0|1,0,0]=3 114 B16R0.303 CCCCCCCCCCCCCCCCI TS64816 [2,0,0,0,0,0|1,0,0]=3 115 B16R0.303 CCCCCCCCCCCCCCCCN TS26730 [2,0,0,0,0,0|1,0,0]=3 116 B16R0.303 CCCCCCCCCCCCCCCCN TS29702 [2,0,0,0,0,0|1,0,0]=3 117 B16R0.303 CCCCCCCCCCCCCCCCO TS57773 [2,0,0,0,0,0|0,0,0]=2 118 B16R0.303 CCCCCCCCCCCCCCCCS TS29269 [2,0,0,0,0,0|0,1,0]=3 119 B16R0.303 CCCCCCCCCCCCCCC[Mg]Br TS61241 [2,0,0,0,0,0|2,0,0]=4 120 B16R0.303 CCCCCCCCCCCCOCCCN TS27055 [2,0,0,0,0,0|2,0,0]=4 121 B16R0.303 CCCCCCCCNCCCCCCCC TS26728 [2,0,0,0,0,0|1,0,0]=3 122 B16R0.303 CCCCCCCCOCCCCCCCC TS57768 [2,0,0,0,0,0|1,0,0]=3 123 B16R0.303 CCCCCCCCSCCCCCCCC TS29270 [2,0,0,0,0,0|1,0,0]=3 124 B16R0.303 CCCCCCCC[Sn+2]CCCCCCCC TS82646 [2,0,0,0,0,0|1,0,0]=3 125 B18R0.171 CCCCCCCCCCCCCCCC(C)CC TS30595 [1,1,0,0,0,0|0,0,2]=4 126 B18R0.176 B(CCCCCCCCCCCCCCCC)(O)O TS30805 [1,1,0,0,0,0|1,0,1]=4 127 B18R0.176 CC(C)CCCCCCCCCCCCCCCO TS30876 [1,1,0,0,0,0|0,0,1]=3 128 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O TS30871 [1,1,0,0,0,0|0,0,2]=4 129 B18R0.176 CCCCCCCCCCCCCCCCC(C)C TS30594 [1,1,0,0,0,0|0,0,2]=4 130 B18R0.176 CCCCCCCCCCCCCCCCC(C)O TS30878 [1,1,0,0,0,0|0,0,1]=3 131 B18R0.11621 CCCCCCCCCC(=O)CCCCCCCC TS73809 [1,1,0,0,0,0|0,0,1]=3 132 B18R0.11621 CCCCCCCCCC(=O)OCCCCCCC TS30866 [1,1,0,0,0,0|1,0,1]=4 133 B18R0.17438 CCCCCCCCCCC(=O)CCCCCCC TS73802 [1,1,0,0,0,0|1,0,1]=4 134 B20R0.2932 CCCCCCCCC=CCCCCCCCCCCO TS58691 [0,2,0,0,0,0|0,0,0]=2 135 B20R0.2932 CCCCCCCCCCCCCCCCCCCCO TS32870 [0,2,0,0,0,0|0,0,2]=4 136 B20R0.2932 CCCCCCCCCCCCCCCCCCOC=C TS58688 [0,2,0,0,0,0|0,0,2]=4 137 B20R0.2932 CCCCCCCCCCCCCCCCCCOCC TS58852 [0,2,0,0,0,0|0,0,2]=4 138 B20R0.2932 CCCCCCCCCCCCCCOCCOCCO TS74815 [0,2,0,0,0,0|0,0,2]=4 139 B20R0.3034 CCCCCCCCC=CCCCCCCCC(=O)OC TS58681 [0,2,0,0,0,0|0,0,1]=3 140 B20R0.31940 CCCCCCCCC=CCCCCCCCCC(=O)O TS65204 [0,2,0,0,0,0|0,0,0]=2 141 B20R0.31940 CCCCCCCCC=CCCCCCCCCN(C)C TS35830 [0,2,0,0,0,0|1,0,0]=3 142 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)O TS56070 [0,2,0,0,0,0|0,0,2]=4 143 B20R0.112 CCCCCCCCCCCCCCC[C@@H]([C@H](CO)N)O TS59092 [0,2,0,0,0,0|0,0,2]=4 144 B20R0.112 CCCCCCCCCCCCCCC[C@H]([C@@H](CO)N)O TS59093 [0,2,0,0,0,0|0,0,2]=4 145 B20R0.112 CCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O TS59094 [0,2,0,0,0,0|0,0,2]=4 146 B20R0.90 CCCCCC[C@H](CC=CCCCCCCCC(=O)O)O TS56063 [0,2,0,0,0,0|0,0,1]=3 147 B20R0.90 CCCCCC[C@H](CC=CCCCCCCCC(=O)O)O TS56064 [0,2,0,0,0,0|0,0,1]=3 148 B20R0.90 CCCCCC[C@H](CC=CCCCCCCCC(=O)[O-])O TS77233 [0,2,0,0,0,0|0,0,2]=4 149 B18R1.1261 CCCCCCCCCCCCC1CCCCC1 TS28385 [1,0,0,1,0,0|0,0,2]=4 150 B18R1.13035 CCCCCCCCCCCCCOCC1CO1 TS28970 [1,0,0,1,0,0|1,0,1]=4