0 B9R0.1 CC(=O)CCCC(=O)OC M299485 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.1 CC(C)CCOC(=O)C=C I157701 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.1 CCC(=O)OCCC(C)C I101112 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.1 CCC(C)CCCC(C)C D154774 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.1 CCC(C)OCCC(=O)C S161386 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.1 CN(C)CCOC(=O)C=C D102735 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.6 CCCC=CC(=O)OC M134288 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.6 CCCCCC(=O)C=C O160047 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.6 CCCCCC(=O)CC O106928 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.6 CCCCCC(=O)CC O106929 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.6 CCCCCC(=O)OC M112312 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.6 CCCCCC(=O)OC M112313 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.6 CCCCCC(=O)OC M112314 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.6 CCCCCC(C)CC M158522 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.6 CCCCCC(CC)O O159907 [1,0,0,0,0,0|1,0,2]=4 15 B8R0.6 CCCCNC(=O)C=C N405436 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.6 CCCCNC(=O)CCl N193799 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.6 CCCCOC(=O)C=C B100034 [1,0,0,0,0,0|0,0,2]=3 18 B8R0.6 CCCCOC(=O)C=C B100035 [1,0,0,0,0,0|0,0,2]=3 19 B8R0.6 CCCCOC(=O)C=C B100036 [1,0,0,0,0,0|0,0,2]=3 20 B8R0.6 CCCCOC(=O)C=C B100037 [1,0,0,0,0,0|0,0,2]=3 21 B8R0.6 CCCCOC(=O)CC B152863 [1,0,0,0,0,0|0,0,0]=1 22 B8R0.6 CCCCOC(=O)CCl B152888 [1,0,0,0,0,0|1,0,0]=2 23 B8R0.6 CCCCOC(=O)CO B134012 [1,0,0,0,0,0|1,0,0]=2 24 B8R0.6 CCCCOC(=O)CO B493056 [1,0,0,0,0,0|1,0,0]=2 25 B8R0.6 CCCCOC(=O)CS B152740 [1,0,0,0,0,0|1,0,0]=2 26 B8R0.6 COC(=O)CCCCBr M157983 [1,0,0,0,0,0|3,0,0]=4 27 B8R0.6 COC(=O)CCCCCl M167259 [1,0,0,0,0,0|3,0,0]=4 28 B8R0.6 COCCOC(=O)C=C E102687 [1,0,0,0,0,0|1,0,2]=4 29 B8R0.6 COCCOC(=O)C=C P133111 [1,0,0,0,0,0|1,0,2]=4 30 B8R0.6 COCCOC(=O)C=C P133370 [1,0,0,0,0,0|1,0,2]=4 31 B8R0.6 COCCOC(=O)C=C P136232 [1,0,0,0,0,0|1,0,2]=4 32 B8R0.7 CCCCCCC(C)Br B152446 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.7 CCCCCCC(C)C M158524 [1,0,0,0,0,0|1,0,1]=3 34 B8R0.7 CCCCCCC(C)N A151716 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.7 CCCCCCC(C)N I169738 [1,0,0,0,0,0|2,0,1]=4 36 B8R0.7 CCCCCCC(C)O O111525 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.7 CCCCCCC(C)O O111526 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.7 CCCCCCC(C)O O111527 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.7 CCCCCCC(C)O O111528 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.7 CCCCCCC(C)O R160889 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.7 CCCCCCC(C)O S161171 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.7 CCCCCCN(C)C N303722 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.7 CN(C)CCOCCO D124510 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.28 CC(=CCCC(=O)C)C M117483 [1,0,0,0,0,0|1,0,2]=4 45 B8R0.28 CC(=CCOC(=O)C)C P138080 [1,0,0,0,0,0|0,0,2]=3 46 B8R0.28 CC(C)CCCC(=C)C D155274 [1,0,0,0,0,0|2,0,0]=3 47 B8R0.28 CC(C)CCCC(=O)C M158865 [1,0,0,0,0,0|1,0,0]=2 48 B8R0.28 CC(C)CCCC(=O)O M158389 [1,0,0,0,0,0|2,0,0]=3 49 B8R0.28 CC(C)CCCC(C)N D299499 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.28 CC(C)CCCC(C)N D424637 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.28 CC(C)CCCC(C)O M157902 [1,0,0,0,0,0|1,0,2]=4 52 B8R0.28 CC(C)CCOC(=O)C I112107 [1,0,0,0,0,0|0,0,0]=1 53 B8R0.28 CC(C)CCOC(=O)C I112108 [1,0,0,0,0,0|0,0,0]=1 54 B8R0.28 CC(C)CCOC(=O)C I112110 [1,0,0,0,0,0|0,0,0]=1 55 B8R0.28 CC(C)CCOC(=O)C T119705 [1,0,0,0,0,0|0,0,0]=1 56 B8R0.28 CC(C)CCO[N+](=O)[O-] I157464 [1,0,0,0,0,0|2,0,0]=3 57 B8R0.28 CN(C)CCCC(=O)O D589906 [1,0,0,0,0,0|3,0,0]=4 58 B8R0.28 CN(C)CCCC(=O)O W133561 [1,0,0,0,0,0|3,0,0]=4 59 B10R0.3 CC(C)CCCC(C)CCBr B137574 [0,1,0,0,0,0|2,0,1]=4 60 B10R0.3 CC(C)CCCC(C)CCO T110148 [0,1,0,0,0,0|2,0,1]=4 61 B10R0.3 CCCC(=O)OCCC(C)C I108580 [0,1,0,0,0,0|0,0,0]=1 62 B10R0.3 CCCC(=O)OCCC(C)C I108581 [0,1,0,0,0,0|0,0,0]=1 63 B10R0.3 CCOC(=O)CCCC(=O)C E138206 [0,1,0,0,0,0|2,0,1]=4 64 B10R0.44 CC(C)CC(=O)CC(=O)OC M588645 [0,1,0,0,0,0|2,0,1]=4 65 B10R0.59 CC(CCOC(=O)CS)OC M158005 [0,1,0,0,0,0|1,0,0]=2 66 B10R0.60 CCC(=O)SCC[N+](C)(C)C P348764 [0,1,0,0,0,0|1,1,0]=3 67 B10R0.60 C[N+](C)(C)CCOC(=O)C=C A303741 [0,1,0,0,0,0|1,0,2]=4 68 B10R0.65 CCC(C)(CCCC(C)C)O T110098 [0,1,0,0,0,0|1,0,2]=4 69 B10R0.98 CC(=C)C(=O)OCCN(C)C D111129 [0,1,0,0,0,0|1,0,1]=3 70 B10R0.98 CC(=C)C(=O)OCCN(C)C P101212 [0,1,0,0,0,0|1,0,1]=3 71 B10R0.98 CC(C)CCOC(=O)C(C)C I157523 [0,1,0,0,0,0|0,0,0]=1 72 B10R0.98 CC(C)CCOC(=O)C(C)O I157469 [0,1,0,0,0,0|0,0,0]=1 73 B10R1.13 CC(C)C1CCC(=C)C=C1 P337471 [0,0,0,1,0,0|2,0,1]=4 74 B10R1.13 CC(C)C1CCC(=O)CC1 I138967 [0,0,0,1,0,0|1,0,0]=2 75 B10R1.13 CC(C)C1CCC(CC1)N I157724 [0,0,0,1,0,0|2,0,1]=4 76 B10R1.13 CC(C)C1CCC(CC1)O I157466 [0,0,0,1,0,0|1,0,2]=4 77 B10R1.13 CC(C)C1CCC(CC1)O T162736 [0,0,0,1,0,0|1,0,2]=4 78 B10R1.13 CC(C)N1CCC(=O)CC1 I157698 [0,0,0,1,0,0|2,0,0]=3 79 B10R1.14 COC(=O)C1CCC(C1)N M175133 [0,0,0,1,0,0|3,0,0]=4 80 B10R1.54 CC(C)CC1CC(=O)NC1 I589652 [0,0,0,1,0,0|2,0,0]=3 81 B10R1.54 CC(C)CC1CC(=O)NC1 S587757 [0,0,0,1,0,0|2,0,0]=3 82 B10R1.54 CC1COC(O1)CC(C)C I157438 [0,0,0,1,0,0|2,0,1]=4 83 B8R0.9 CC(=O)CCC(=O)OC M157990 [0,0,0,0,1,0|2,0,1]=4 84 B8R0.9 CC(=O)CCC(=O)OC N196982 [0,0,0,0,1,0|2,0,1]=4 85 B8R0.9 CC(C)CCC(=O)OC M464241 [0,0,0,0,1,0|1,0,0]=2 86 B8R0.9 CC(C)COC(=O)C=C I111441 [0,0,0,0,1,0|0,0,2]=3 87 B8R0.9 CC(COC(=O)C=C)O H100855 [0,0,0,0,1,0|1,0,2]=4 88 B8R0.9 CCC(=O)CCC(=O)O O165944 [0,0,0,0,1,0|2,0,1]=4 89 B8R0.9 CCC(=O)OCC(C)C I157498 [0,0,0,0,1,0|0,0,0]=1 90 B8R0.9 CCC(C)CCC(C)C D155227 [0,0,0,0,1,0|1,0,1]=3 91 B8R0.9 CN(C)CCC(=O)OC M170066 [0,0,0,0,1,0|2,0,0]=3 92 B10R0.55 CC(C)COCNC(=O)C=C N404606 [0,0,0,0,0,1|1,0,2]=4 93 B7R0.1 CCC=CCCCO C153484 [2,0,0,0,0,0|2,0,0]=4 94 B7R0.1 CCCCC=CCC C153584 [2,0,0,0,0,0|1,0,0]=3 95 B7R0.1 CCCCC=CCC T161817 [2,0,0,0,0,0|1,0,0]=3 96 B7R0.1 CCCCC=CCO T161435 [2,0,0,0,0,0|2,0,0]=4 97 B7R0.1 CCCCCC=CC C153583 [2,0,0,0,0,0|1,0,1]=4 98 B7R0.1 CCCCCC=CC O159996 [2,0,0,0,0,0|1,0,1]=4 99 B7R0.1 CCCCCC=CC T161814 [2,0,0,0,0,0|1,0,1]=4 100 B7R0.1 CCCCCCCC O100577 [2,0,0,0,0,0|1,0,1]=4 101 B7R0.1 CCCCCCCC O100578 [2,0,0,0,0,0|1,0,1]=4 102 B7R0.1 CCCCCCCC O100580 [2,0,0,0,0,0|1,0,1]=4 103 B7R0.1 CCCCCCCC O100581 [2,0,0,0,0,0|1,0,1]=4 104 B7R0.1 CCCCCCCC O119714 [2,0,0,0,0,0|1,0,1]=4 105 B7R0.1 CCCCOCCCl B152831 [2,0,0,0,0,0|1,0,1]=4 106 B7R0.1 CCCCOCCN B357161 [2,0,0,0,0,0|1,0,1]=4 107 B7R0.1 CCCCOCCO E110823 [2,0,0,0,0,0|1,0,1]=4 108 B7R0.1 CCCCOCCO E110827 [2,0,0,0,0,0|1,0,1]=4 109 B7R0.3 CCC(=O)NCCO N158966 [2,0,0,0,0,0|2,0,0]=4 110 B7R0.3 CCCCC(=C)CC E156236 [2,0,0,0,0,0|1,0,0]=3 111 B7R0.3 CCCCC(=O)CC H103766 [2,0,0,0,0,0|0,0,0]=2 112 B7R0.3 CCCCC(=O)NN P135113 [2,0,0,0,0,0|2,0,0]=4 113 B7R0.3 CCCCC(=O)OC M108213 [2,0,0,0,0,0|1,0,0]=3 114 B7R0.3 CCCCC(=O)OC M108214 [2,0,0,0,0,0|1,0,0]=3 115 B7R0.3 CCCCC(C)CC M113650 [2,0,0,0,0,0|1,0,1]=4 116 B7R0.3 CCCCC(CC)Br B152441 [2,0,0,0,0,0|1,0,1]=4 117 B7R0.3 CCCCC(CC)O H156872 [2,0,0,0,0,0|0,0,2]=4 118 B7R0.3 CCCOC(=O)CC P111531 [2,0,0,0,0,0|0,0,0]=2 119 B7R0.3 CCCOC(=O)CC P111532 [2,0,0,0,0,0|0,0,0]=2 120 B7R0.3 COC(=O)CCCBr M158832 [2,0,0,0,0,0|2,0,0]=4 121 B7R0.3 COC(=O)CCCBr M492178 [2,0,0,0,0,0|2,0,0]=4 122 B7R0.3 COC(=O)CCCCl C108118 [2,0,0,0,0,0|2,0,0]=4 123 B7R0.3 COC(=O)CCCI M167258 [2,0,0,0,0,0|2,0,0]=4 124 B7R0.3 COC(=O)CCCN M124081 [2,0,0,0,0,0|2,0,0]=4 125 B7R0.3 COC(=O)CCSC M302466 [2,0,0,0,0,0|2,0,0]=4 126 B7R0.3 COCCC(=O)OC M134953 [2,0,0,0,0,0|2,0,0]=4 127 B7R0.4 CC(=O)CCCCCl C108058 [2,0,0,0,0,0|2,0,0]=4 128 B7R0.4 CC(=O)OCCCCl C135233 [2,0,0,0,0,0|1,0,0]=3 129 B7R0.4 CC(=O)OCCOC M106167 [2,0,0,0,0,0|1,0,0]=3 130 B7R0.4 CC(=O)SCCCBr B333089 [2,0,0,0,0,0|1,1,0]=4 131 B7R0.4 CC(C)CCOC=O I117534 [2,0,0,0,0,0|0,0,0]=2 132 B7R0.4 CC(C)CCOC=O I137773 [2,0,0,0,0,0|0,0,0]=2 133 B7R0.4 CC(C)CCON=O I106092 [2,0,0,0,0,0|1,0,0]=3 134 B7R0.4 CC(C)CCON=O I106093 [2,0,0,0,0,0|1,0,0]=3 135 B7R0.4 CC(C)COCCO E156429 [2,0,0,0,0,0|1,0,1]=4 136 B7R0.4 CCCC=CC(=O)C H156932 [2,0,0,0,0,0|1,0,1]=4 137 B7R0.4 CCCCCC(=C)C M158504 [2,0,0,0,0,0|2,0,0]=4 138 B7R0.4 CCCCCC(=O)C H103803 [2,0,0,0,0,0|1,0,0]=3 139 B7R0.4 CCCCCC(=O)C H103827 [2,0,0,0,0,0|1,0,0]=3 140 B7R0.4 CCCCCC(=O)Cl H102419 [2,0,0,0,0,0|2,0,0]=4 141 B7R0.4 CCCCCC(=O)Cl H130076 [2,0,0,0,0,0|2,0,0]=4 142 B7R0.4 CCCCCC(=O)N H157108 [2,0,0,0,0,0|2,0,0]=4 143 B7R0.4 CCCCCC(=O)O H103630 [2,0,0,0,0,0|2,0,0]=4 144 B7R0.4 CCCCCC(=O)O H103631 [2,0,0,0,0,0|2,0,0]=4 145 B7R0.4 CCCCCC(=O)O H103632 [2,0,0,0,0,0|2,0,0]=4 146 B7R0.4 CCCCCC(=O)O H278778 [2,0,0,0,0,0|2,0,0]=4 147 B7R0.4 CCCCCC(=O)O H432079 [2,0,0,0,0,0|2,0,0]=4 148 B7R0.4 CCCCCC(=O)[O-] S161313 [2,0,0,0,0,0|2,0,0]=4 149 B7R0.4 CCCCCC(C)C M113649 [2,0,0,0,0,0|0,0,1]=3 150 B7R0.4 CCCCCC(C)C M406726 [2,0,0,0,0,0|0,0,1]=3 151 B7R0.4 CCCCCC(C)N A166657 [2,0,0,0,0,0|1,0,1]=4 152 B7R0.4 CCCCCC(C)N A421028 [2,0,0,0,0,0|1,0,1]=4 153 B7R0.4 CCCCCC(C)N S474322 [2,0,0,0,0,0|1,0,1]=4 154 B7R0.4 CCCCCC(C)O H100747 [2,0,0,0,0,0|1,0,1]=4 155 B7R0.4 CCCCCC(C)O I137289 [2,0,0,0,0,0|1,0,1]=4 156 B7R0.4 CCCCNC(=O)N B152704 [2,0,0,0,0,0|2,0,0]=4 157 B7R0.4 CCCCOC(=O)C B116224 [2,0,0,0,0,0|0,0,0]=2 158 B7R0.4 CCCCOC(=O)C B116225 [2,0,0,0,0,0|0,0,0]=2 159 B7R0.4 CCCCOC(=O)C B116227 [2,0,0,0,0,0|0,0,0]=2 160 B7R0.4 CCCCOC(=O)C B116228 [2,0,0,0,0,0|0,0,0]=2 161 B7R0.4 CCCCOC(=O)C B119685 [2,0,0,0,0,0|0,0,0]=2 162 B7R0.4 CCCCOC(=O)N B152422 [2,0,0,0,0,0|1,0,0]=3 163 B7R0.4 CCCCOC(=S)[S-] P160349 [2,0,0,0,0,0|1,1,0]=4 164 B7R0.4 CCCCO[N+](=O)[O-] N334844 [2,0,0,0,0,0|2,0,0]=4 165 B7R0.4 CCCOCC(C)O P160113 [2,0,0,0,0,0|1,0,1]=4 166 B7R0.4 CCNCCN(C)C I166658 [2,0,0,0,0,0|2,0,0]=4 167 B7R0.4 CCOCCC(=O)C E156453 [2,0,0,0,0,0|1,0,1]=4 168 B7R0.4 COCCOC(=O)Cl M158778 [2,0,0,0,0,0|2,0,0]=4 169 B9R0.5 CCCC=CC(=O)OCC E117526 [1,1,0,0,0,0|1,0,1]=4 170 B9R0.5 CCCCCC(=O)CCC N158991 [1,1,0,0,0,0|1,0,0]=3 171 B9R0.5 CCCCCC(=O)OCC E103497 [1,1,0,0,0,0|1,0,0]=3 172 B9R0.5 CCCCCC(=O)OCC E103498 [1,1,0,0,0,0|1,0,0]=3 173 B9R0.5 CCCCCC(=O)OCC E103499 [1,1,0,0,0,0|1,0,0]=3 174 B9R0.5 CCCCOC(=O)C=CC B152883 [1,1,0,0,0,0|0,0,1]=3 175 B9R0.5 CCCCOC(=O)C=CC B293404 [1,1,0,0,0,0|0,0,1]=3 176 B9R0.5 CCCCOC(=O)CC#N B133488 [1,1,0,0,0,0|0,0,1]=3 177 B9R0.5 CCCCOC(=O)CCC B103463 [1,1,0,0,0,0|0,0,0]=2 178 B9R0.5 CCCCOC(=O)CCC B103464 [1,1,0,0,0,0|0,0,0]=2 179 B9R0.5 CCCCOC(=O)CCS B340486 [1,1,0,0,0,0|0,0,0]=2 180 B9R0.5 CCOC(=O)CCCCBr E156150 [1,1,0,0,0,0|2,0,0]=4 181 B9R0.5 CCOC(=O)CCCCN E183506 [1,1,0,0,0,0|2,0,0]=4 182 B9R0.5 CCOCCC(=O)OCC E108066 [1,1,0,0,0,0|2,0,0]=4 183 B9R0.8 CCCCC(C(=O)OC)Br M111380 [1,1,0,0,0,0|2,0,0]=4 184 B9R0.8 CCCCC(C(=O)OC)N D134849 [1,1,0,0,0,0|2,0,0]=4 185 B9R0.46 C=CC(=O)OCCCCO H156908 [1,1,0,0,0,0|0,0,2]=4 186 B9R0.46 CCCCCCC(=O)CC N158994 [1,1,0,0,0,0|1,0,0]=3 187 B9R0.46 CCCCCCC(=O)OC M158054 [1,1,0,0,0,0|2,0,0]=4 188 B9R0.46 CCCCCCC(=O)OC M158149 [1,1,0,0,0,0|2,0,0]=4 189 B9R0.46 CCCCCOC(=O)C=C P588632 [1,1,0,0,0,0|0,0,2]=4 190 B9R0.46 CCCCCOC(=O)CC P137733 [1,1,0,0,0,0|0,0,0]=2 191 B9R0.46 CCOCCOC(=O)C=C E586300 [1,1,0,0,0,0|0,0,2]=4 192 B9R0.46 COC(=O)CCCCCN M138421 [1,1,0,0,0,0|2,0,0]=4 193 B9R0.47 CC(=C)C(=O)OCCOC E102359 [1,1,0,0,0,0|1,0,1]=4 194 B9R0.47 CC(=C)C(=O)OCCOC P109711 [1,1,0,0,0,0|1,0,1]=4 195 B9R0.47 CC(=C)C(=O)OCCOC P432527 [1,1,0,0,0,0|1,0,1]=4 196 B9R0.47 CC(=C)C(=O)OCCOC P432529 [1,1,0,0,0,0|1,0,1]=4 197 B9R0.47 CC(=C)C(=O)OCCOC P432531 [1,1,0,0,0,0|1,0,1]=4 198 B9R0.47 CC(=C)C(=O)OCCSC M468079 [1,1,0,0,0,0|1,0,1]=4 199 B9R0.47 CCCCCC(=O)C(=O)C O589566 [1,1,0,0,0,0|1,0,1]=4 200 B9R0.47 CCCCOC(=O)C(=C)C B110902 [1,1,0,0,0,0|0,0,1]=3 201 B9R0.47 CCCCOC(=O)C(=C)C B110903 [1,1,0,0,0,0|0,0,1]=3 202 B9R0.47 CCCCOC(=O)C(=C)C B110904 [1,1,0,0,0,0|0,0,1]=3 203 B9R0.47 CCCCOC(=O)C(C)C B152857 [1,1,0,0,0,0|0,0,0]=2 204 B9R0.47 CCCCOC(=O)C(C)O B111190 [1,1,0,0,0,0|0,0,0]=2 205 B9R0.47 CCCCOC(=O)C(C)O B303494 [1,1,0,0,0,0|0,0,0]=2 206 B9R0.50 CCCCOC(CC)CO P117874 [1,1,0,0,0,0|0,0,2]=4 207 B9R0.50 CCCCOC(CC)CO P118599 [1,1,0,0,0,0|0,0,2]=4 208 B9R0.50 CCCCOC(CC)CO P141386 [1,1,0,0,0,0|0,0,2]=4 209 B9R0.50 CCCCOC(CC)CO P432410 [1,1,0,0,0,0|0,0,2]=4 210 B9R0.2 CCCCCCCC(C)C M158518 [1,1,0,0,0,0|1,0,1]=4 211 B9R0.2 CCCCCCCC(C)C M406711 [1,1,0,0,0,0|1,0,1]=4 212 B9R0.4 CCCOC(=O)CC(C)C D303979 [1,1,0,0,0,0|0,0,2]=4 213 B9R0.48 CCOC(=O)CCC(C)C E169064 [1,1,0,0,0,0|2,0,0]=4 214 B9R0.53 CC(C)CC(C)CC(=O)C D301469 [1,1,0,0,0,0|1,0,0]=3 215 B9R0.53 CC(C)CC(CC(=O)O)N D404546 [1,1,0,0,0,0|2,0,0]=4 216 B9R0.53 CC(C)CC(CC(=O)O)N H117054 [1,1,0,0,0,0|2,0,0]=4 217 B9R0.56 CC(=O)OCC[N+](C)(C)C A106023 [1,1,0,0,0,0|1,0,0]=3 218 B9R0.56 CC(=O)OCC[N+](C)(C)C A111014 [1,1,0,0,0,0|1,0,0]=3 219 B9R0.56 CC(=O)OCC[N+](C)(C)C A111015 [1,1,0,0,0,0|1,0,0]=3 220 B9R0.56 CC(=O)OCC[N+](C)(C)C A111033 [1,1,0,0,0,0|1,0,0]=3 221 B9R0.56 CC(=O)OCC[N+](C)(C)C A425009 [1,1,0,0,0,0|1,0,0]=3 222 B9R0.56 CC(=O)SCC[N+](C)(C)C A100869 [1,1,0,0,0,0|1,1,0]=4 223 B9R0.56 CC(=O)SCC[N+](C)(C)C A113536 [1,1,0,0,0,0|1,1,0]=4 224 B9R0.23 CC(C)CC(C(=O)OC)N L109004 [0,1,0,0,1,0|1,0,0]=3 225 B9R0.23 CC(C)CC(C(=O)OC)N L113357 [0,1,0,0,1,0|1,0,0]=3 226 B9R0.42 CC(C)C(=O)CC(=O)OC M106811 [0,1,0,0,1,0|1,0,1]=4 227 B11R0.145 CCC(C)C(=O)OCCC(C)C I303306 [0,1,0,0,0,1|1,0,1]=4 228 B11R0.176 CCNC(=O)NCCCN(C)C D303457 [0,1,0,0,0,1|2,0,0]=4 229 B11R0.6 CC(C)CCOC(=O)CC(=O)C I157526 [0,2,0,0,0,0|0,0,0]=2 230 B11R0.6 CC(C)CCOC(=O)CC(C)C I102633 [0,2,0,0,0,0|0,0,0]=2 231 B11R0.147 CCCCC(=O)OCCC(C)C I157712 [0,2,0,0,0,0|0,0,0]=2 232 B11R0.180 CCCC(=O)SCC[N+](C)(C)C B100871 [0,2,0,0,0,0|1,1,0]=4 233 B11R0.318 CC(=C)C(=O)OCC[N+](C)(C)C M102201 [0,2,0,0,0,0|1,0,1]=4 234 B11R0.318 CC(=C)C(=O)OCC[N+](C)(C)C M404762 [0,2,0,0,0,0|1,0,1]=4 235 B9R1.1 CCC1CCC(=O)CC1 E115523 [1,0,0,1,0,0|1,0,0]=3 236 B9R1.1 CCN1CCC(=O)CC1 E156493 [1,0,0,1,0,0|2,0,0]=4 237 B9R1.1 COC1CCC(=O)CC1 M587028 [1,0,0,1,0,0|2,0,0]=4 238 B9R1.5 C1CCC(C(=O)CC1)Cl C153943 [1,0,0,1,0,0|2,0,0]=4 239 B9R1.5 C1CCNC(=O)C(C1)N S135609 [1,0,0,1,0,0|2,0,0]=4 240 B9R1.5 C1CCNC(=O)C(C1)N S588137 [1,0,0,1,0,0|2,0,0]=4 241 B9R1.5 CN1CCCCCC1=O N159776 [1,0,0,1,0,0|2,0,0]=4 242 B9R1.7 CCCC1CCC(=O)O1 H111340 [1,0,0,1,0,0|0,0,0]=2 243 B9R1.11 C1CCN(C1)C(=O)CBr B405233 [1,0,0,1,0,0|2,0,0]=4 244 B9R1.11 C1CCN(C1)C(=O)CCl C153598 [1,0,0,1,0,0|2,0,0]=4 245 B9R1.11 COC(=O)C1CCCC1 M158004 [1,0,0,1,0,0|2,0,0]=4 246 B9R1.49 CN1CCCC(=O)CC1 M587966 [1,0,0,1,0,0|2,0,0]=4 247 B9R1.50 C1CCCC(=O)CCC1 C106984 [1,0,0,1,0,0|1,0,0]=3 248 B9R1.50 C1CCCNC(=O)CC1 O159930 [1,0,0,1,0,0|1,0,0]=3 249 B9R1.6 CC(C)C1CCCCC1 I157551 [1,0,0,1,0,0|1,0,1]=4 250 B9R1.6 CC(C)C1CCNCC1 I157674 [1,0,0,1,0,0|2,0,0]=4 251 B9R1.35 CC(=O)N1CCC(C1)O R160915 [1,0,0,1,0,0|2,0,0]=4 252 B9R1.35 CC(C)C1COC(=O)N1 I107588 [1,0,0,1,0,0|1,0,0]=3 253 B9R1.35 CC(C)C1COC(=O)N1 I107589 [1,0,0,1,0,0|1,0,0]=3 254 B9R1.66 CC1(CCCC(=O)C1)C D138628 [1,0,0,1,0,0|1,0,0]=3 255 B9R1.66 CC1(CCOC(=O)C1)O D304342 [1,0,0,1,0,0|1,0,0]=3 256 B9R1.10 C1CC(CCC1=O)(F)F W135372 [0,0,0,1,1,0|2,0,0]=4 257 B9R1.10 CC1(CCC(=O)C=C1)C D154373 [0,0,0,1,1,0|0,0,2]=4 258 B9R1.10 CC1(CCC(=O)CC1)C D120758 [0,0,0,1,1,0|0,0,0]=2 259 B9R1.10 CC1(CCC(CC1)N)C D182662 [0,0,0,1,1,0|1,0,1]=4 260 B9R1.10 CC1(COS(=O)OC1)C D301920 [0,0,0,1,1,0|2,0,0]=4 261 B9R1.10 CC1(OCC(=O)CO1)C D155926 [0,0,0,1,1,0|2,0,0]=4 262 B9R1.69 CC1CCC(C(C1)C)C T161696 [0,0,0,1,1,0|1,0,1]=4 263 B9R1.69 CC1CN(CCC1=O)C D154313 [0,0,0,1,1,0|1,0,0]=3 264 B9R1.82 COC(=O)C1CC(C1)O M176607 [0,0,0,1,1,0|2,0,0]=4 265 B9R1.82 COC(=O)C1CC(C1)O M176998 [0,0,0,1,1,0|2,0,0]=4 266 B9R1.82 COC(=O)C1CC(C1)O M176999 [0,0,0,1,1,0|2,0,0]=4 267 B9R1.138 CC1(COC(=O)C1=O)C D166887 [0,0,0,1,1,0|1,0,1]=4 268 B9R1.138 CC1(COC(=O)C1O)C P122332 [0,0,0,1,1,0|1,0,0]=3 269 B9R1.138 CC1(COC(=O)C1O)C S138963 [0,0,0,1,1,0|1,0,0]=3 270 B9R1.138 CC1(COC(=O)C1O)C S161101 [0,0,0,1,1,0|1,0,0]=3 271 B11R1.20 CC(C)CN1CCC(=O)CC1 M136849 [0,0,0,1,0,1|1,0,0]=3 272 B11R1.80 CC1C(=NC(S1)CC(C)C)C D102931 [0,1,0,1,0,0|2,0,0]=4 273 B11R1.44 COC(=O)C1CCC(C1)CO R176854 [0,1,0,1,0,0|2,0,0]=4 274 B11R1.19 CC(C)(C)C1CCC(=O)CC1 T124578 [0,1,0,1,0,0|1,0,0]=3 275 B11R1.19 CC(C)(C)N1CCC(=O)CC1 I167356 [0,1,0,1,0,0|2,0,0]=4 276 B11R1.19 CC1=CCC(CC1)C(C)(C)O A151627 [0,1,0,1,0,0|2,0,0]=4 277 B11R1.19 CC1=CCC(CC1)C(C)(C)O A151628 [0,1,0,1,0,0|2,0,0]=4 278 B11R1.19 CC1=CCC(CC1)C(C)(C)O T103776 [0,1,0,1,0,0|2,0,0]=4 279 B11R1.19 CC1=CCC(CC1)C(C)(C)O T111437 [0,1,0,1,0,0|2,0,0]=4 280 B11R1.19 CC1=CCC(CC1)C(C)(C)O T358145 [0,1,0,1,0,0|2,0,0]=4 281 B11R1.19 CC1=CCC(CC1)C(C)(C)O T420462 [0,1,0,1,0,0|2,0,0]=4 282 B11R1.220 CC1=CCC(CC1)(C(C)C)O C111423 [0,1,0,1,0,0|2,0,0]=4 283 B11R1.220 CC1=CCC(CC1)(C(C)C)O C164458 [0,1,0,1,0,0|2,0,0]=4 284 B11R1.220 CC1=CCC(CC1)(C(C)C)O C424764 [0,1,0,1,0,0|2,0,0]=4 285 B11R1.220 CC1=CCC(CC1)(C(C)C)O T161656 [0,1,0,1,0,0|2,0,0]=4 286 B11R1.220 CC1=CCC(CC1)(C(C)C)O T162413 [0,1,0,1,0,0|2,0,0]=4 287 B11R2.34 C1CC1N2CCC(=O)CC2 C121571 [0,0,0,2,0,0|2,0,0]=4 288 B11R2.39 CC1=CCC2C(C1)C2(C)C C153246 [0,0,0,2,0,0|2,0,0]=4 289 B11R2.39 CC1=CCC2C(C1)C2(C)C C303816 [0,0,0,2,0,0|2,0,0]=4 290 B11R2.533 CC1(C2CCC(=C)C1C2)C B190445 [0,0,0,2,0,0|2,0,0]=4 291 B11R2.533 CC1(C2CCC(=C)C1C2)C P108922 [0,0,0,2,0,0|2,0,0]=4 292 B11R2.533 CC1(C2CCC(=C)C1C2)C P108923 [0,0,0,2,0,0|2,0,0]=4 293 B11R2.533 CC1(C2CCC(=O)C1C2)C I170069 [0,0,0,2,0,0|1,0,0]=3 294 B11R2.533 CC1=CCC2CC1C2(C)C P110875 [0,0,0,2,0,0|2,0,0]=4 295 B11R2.533 CC1=CCC2CC1C2(C)C P110877 [0,0,0,2,0,0|2,0,0]=4 296 B11R2.533 CC1=CCC2CC1C2(C)C P124468 [0,0,0,2,0,0|2,0,0]=4 297 B11R2.533 CC1=CCC2CC1C2(C)C P137373 [0,0,0,2,0,0|2,0,0]=4 298 B11R2.533 CC1=CCC2CC1C2(C)C P397755 [0,0,0,2,0,0|2,0,0]=4 299 B11R2.533 CC1=CCC2CC1C2(C)C P425921 [0,0,0,2,0,0|2,0,0]=4 300 B11R2.533 CC1=CCC2CC1C2(C)C S434091 [0,0,0,2,0,0|2,0,0]=4 301 B11R2.746 CC(C)C12CCC(=C)C1C2 S331780 [0,0,0,2,0,0|2,0,0]=4 302 B7R0.6 CC(=C)COC(=O)C M158238 [1,0,0,0,1,0|0,0,2]=4 303 B7R0.6 CC(=O)CCC(=O)C H106697 [1,0,0,0,1,0|1,0,1]=4 304 B7R0.6 CC(=O)CCC(=O)C H106698 [1,0,0,0,1,0|1,0,1]=4 305 B7R0.6 CC(=O)CCC(=O)C H106699 [1,0,0,0,1,0|1,0,1]=4 306 B7R0.6 CC(=O)COC(=O)C A151657 [1,0,0,0,1,0|1,0,1]=4 307 B7R0.6 CC(=O)OCC(F)F D154397 [1,0,0,0,1,0|2,0,0]=4 308 B7R0.6 CC(C)C=CC(=O)C M170732 [1,0,0,0,1,0|0,0,2]=4 309 B7R0.6 CC(C)CC=C(C)C D155272 [1,0,0,0,1,0|1,0,1]=4 310 B7R0.6 CC(C)CCC(=C)C D155278 [1,0,0,0,1,0|1,0,0]=3 311 B7R0.6 CC(C)CCC(=O)C M106666 [1,0,0,0,1,0|0,0,0]=2 312 B7R0.6 CC(C)CCC(=O)Cl M158759 [1,0,0,0,1,0|1,0,0]=3 313 B7R0.6 CC(C)CCC(=O)O M117869 [1,0,0,0,1,0|1,0,0]=3 314 B7R0.6 CC(C)CCC(C)C D155219 [1,0,0,0,1,0|1,0,1]=4 315 B7R0.6 CC(C)CCC(C)N W299301 [1,0,0,0,1,0|1,0,1]=4 316 B7R0.6 CC(C)CCC(C)O M157779 [1,0,0,0,1,0|0,0,2]=4 317 B7R0.6 CC(C)COC(=O)C I110418 [1,0,0,0,1,0|0,0,0]=2 318 B7R0.6 CC(C)COC(=O)C I110419 [1,0,0,0,1,0|0,0,0]=2 319 B7R0.6 CC(C)COC(=O)Cl I105738 [1,0,0,0,1,0|1,0,0]=3 320 B7R0.6 CC(C)CO[N+](=O)[O-] I334869 [1,0,0,0,1,0|2,0,0]=4 321 B7R0.6 CC(C)NNC(=O)C N193444 [1,0,0,0,1,0|2,0,0]=4 322 B7R0.6 CN(C)CCC(=O)O D132248 [1,0,0,0,1,0|2,0,0]=4 323 B7R0.6 C[S+](C)CCC(=O)O C153876 [1,0,0,0,1,0|2,0,0]=4 324 B7R0.2 CC(C)CC(=O)OC M157988 [0,0,0,0,2,0|1,0,0]=3 325 B7R0.2 CC(C)NC(=O)CBr B194928 [0,0,0,0,2,0|2,0,0]=4 326 B7R0.2 CC(C)OC(=O)C=C I589892 [0,0,0,0,2,0|0,0,2]=4 327 B7R0.2 CC(C)OC(=O)CCl I157694 [0,0,0,0,2,0|1,0,0]=3 328 B7R0.2 CC(CC(=O)OC)N R190811 [0,0,0,0,2,0|2,0,0]=4 329 B7R0.2 CC(CC(=O)OC)N S587134 [0,0,0,0,2,0|2,0,0]=4 330 B7R0.2 CC(CC(=O)OC)O H124084 [0,0,0,0,2,0|2,0,0]=4 331 B7R0.2 CC(CC(=O)OC)O H124101 [0,0,0,0,2,0|2,0,0]=4 332 B7R0.2 CCC(=O)CC(=O)C H192611 [0,0,0,0,2,0|1,0,1]=4 333 B7R0.2 CCC(=O)CC(C)C E156458 [0,0,0,0,2,0|0,0,0]=2 334 B7R0.2 CCC(=O)OC(C)C I157496 [0,0,0,0,2,0|0,0,0]=2 335 B7R0.2 CCC(C)CC(C)C D155187 [0,0,0,0,2,0|1,0,1]=4 336 B7R0.2 CN(C)CC(=O)OC N304465 [0,0,0,0,2,0|2,0,0]=4