0 B8R0.28 CC(=CC=CC(=O)C)C M132660 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.28 CC(=CCCC(=O)C)C M117483 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.28 CC(=CCOC(=O)C)C P138080 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.28 CC(=O)CCCC(=O)O O159987 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.28 CC(=O)NCCC(=O)O N133308 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.28 CC(=O)SCCC(=O)O A136318 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.28 CC(C)CCCC(=C)C D155274 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.28 CC(C)CCCC(=O)C M158865 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.28 CC(C)CCCC(=O)O M158389 [0,0,0,0,0,0|1,0,3]=4 9 B8R0.28 CC(C)CCCC(C)N D299499 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.28 CC(C)CCCC(C)N D424637 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.28 CC(C)CCCC(C)O M157902 [0,0,0,0,0,0|0,0,2]=2 12 B8R0.28 CC(C)CCOC(=O)C I112107 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.28 CC(C)CCOC(=O)C I112108 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.28 CC(C)CCOC(=O)C I112110 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.28 CC(C)CCOC(=O)C T119705 [0,0,0,0,0,0|3,0,0]=3 16 B8R0.28 CC(C)CNCC(C)C D108052 [0,0,0,0,0,0|2,0,2]=4 17 B8R0.28 CC(C)CNCC(C)C D154696 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.28 CC(C)COCC(C)C D155508 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.28 CC(CNCC(C)O)O D106370 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.28 CN(C)CCCC(=O)O D589906 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.28 CN(C)CCCC(=O)O W133561 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.28 CN(C)CCCN(C)C T106825 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.4 C(CCO)CC(=O)[O-] H184096 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.4 CC(=O)CCCCCl C108058 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.4 CC(=O)OCCCCl C135233 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.4 CC(=O)OCCOC M106167 [1,0,0,0,0,0|3,0,0]=4 27 B7R0.4 CC(=O)SCCCBr B333089 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.4 CC(C)CCOC=O I117534 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.4 CC(C)CCOC=O I137773 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.4 CC(C)COCCO E156429 [1,0,0,0,0,0|1,0,2]=4 31 B7R0.4 CC(C)CSCCO I157607 [1,0,0,0,0,0|1,0,2]=4 32 B7R0.4 CC(C)NCCCO I157484 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.4 CC(C)NCCOC N158963 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.4 CC(C)OCCCN A133357 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.4 CC(CCCCO)O H474422 [1,0,0,0,0,0|1,0,2]=4 36 B7R0.4 CCCC=CC(=O)C H156932 [1,0,0,0,0,0|1,0,1]=3 37 B7R0.4 CCCC=CC(=O)O H107513 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.4 CCCC=CC(=O)O H400070 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.4 CCCCCC(=C)C M158504 [1,0,0,0,0,0|0,0,2]=3 40 B7R0.4 CCCCCC(=O)C H103803 [1,0,0,0,0,0|1,0,1]=3 41 B7R0.4 CCCCCC(=O)C H103827 [1,0,0,0,0,0|1,0,1]=3 42 B7R0.4 CCCCCC(=O)Cl H102419 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.4 CCCCCC(=O)Cl H130076 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.4 CCCCCC(=O)N H157108 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.4 CCCCCC(=O)O H103630 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.4 CCCCCC(=O)O H103631 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.4 CCCCCC(=O)O H103632 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.4 CCCCCC(=O)O H278778 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.4 CCCCCC(=O)O H432079 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.4 CCCCCC(=O)[O-] S161313 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.4 CCCCCC(C)C M113649 [1,0,0,0,0,0|0,0,2]=3 52 B7R0.4 CCCCCC(C)C M406726 [1,0,0,0,0,0|0,0,2]=3 53 B7R0.4 CCCCCC(C)N A166657 [1,0,0,0,0,0|1,0,2]=4 54 B7R0.4 CCCCCC(C)N A421028 [1,0,0,0,0,0|1,0,2]=4 55 B7R0.4 CCCCCC(C)N S474322 [1,0,0,0,0,0|1,0,2]=4 56 B7R0.4 CCCCCC(C)O H100747 [1,0,0,0,0,0|0,0,2]=3 57 B7R0.4 CCCCCC(C)O I137289 [1,0,0,0,0,0|0,0,2]=3 58 B7R0.4 CCCCNC(=O)N B152704 [1,0,0,0,0,0|3,0,0]=4 59 B7R0.4 CCCCNC(=S)N B181673 [1,0,0,0,0,0|3,0,0]=4 60 B7R0.4 CCCCOC(=O)C B116224 [1,0,0,0,0,0|2,0,0]=3 61 B7R0.4 CCCCOC(=O)C B116225 [1,0,0,0,0,0|2,0,0]=3 62 B7R0.4 CCCCOC(=O)C B116227 [1,0,0,0,0,0|2,0,0]=3 63 B7R0.4 CCCCOC(=O)C B116228 [1,0,0,0,0,0|2,0,0]=3 64 B7R0.4 CCCCOC(=O)C B119685 [1,0,0,0,0,0|2,0,0]=3 65 B7R0.4 CCCCOC(=O)N B152422 [1,0,0,0,0,0|3,0,0]=4 66 B7R0.4 CCCCOC(=S)[S-] P160349 [1,0,0,0,0,0|3,0,0]=4 67 B7R0.4 CCCOCC(C)O P160113 [1,0,0,0,0,0|1,0,2]=4 68 B7R0.4 CCNCCN(C)C I166658 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.4 CCOCCC(=O)C E156453 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.4 CN(C)CCCCN B301211 [1,0,0,0,0,0|2,0,1]=4 71 B7R0.4 CNCCCN(C)C I170434 [1,0,0,0,0,0|2,0,1]=4 72 B9R0.1 CC(=CCC=C(C)C=C)C O117519 [0,1,0,0,0,0|1,0,2]=4 73 B9R0.1 CC(=CCCC(=C)C=C)C M101320 [0,1,0,0,0,0|1,0,2]=4 74 B9R0.1 CC(=CCCC(=C)C=C)C M101322 [0,1,0,0,0,0|1,0,2]=4 75 B9R0.1 CC(=CCCC(=C)C=C)C M196396 [0,1,0,0,0,0|1,0,2]=4 76 B9R0.1 CC(CCC=C(C)C)C=O M102621 [0,1,0,0,0,0|0,0,1]=2 77 B9R0.1 CC(CCOC(=O)C)OC M118697 [0,1,0,0,0,0|2,0,0]=3 78 B9R0.1 CCC(=O)OCCC(C)C I101112 [0,1,0,0,0,0|3,0,0]=4 79 B9R0.1 CCC(C)CCCC(C)C D154774 [0,1,0,0,0,0|1,0,2]=4 80 B9R0.7 CC(C)COC(=O)C(=C)C I106679 [0,1,0,0,0,0|2,0,1]=4 81 B9R0.7 CC(C)COC(=O)C(=C)C I304907 [0,1,0,0,0,0|2,0,1]=4 82 B9R0.7 CC(C)COC(=O)C(=C)C I401365 [0,1,0,0,0,0|2,0,1]=4 83 B9R0.7 CC(C)COC(=O)C(C)C I105925 [0,1,0,0,0,0|2,0,1]=4 84 B9R0.7 CC(CNC(=O)C(=C)C)O N404588 [0,1,0,0,0,0|1,0,1]=3 85 B9R0.7 CC(COC(=O)C(=C)C)O H109880 [0,1,0,0,0,0|1,0,1]=3 86 B9R0.7 CN(C)C(=O)CCC(=O)O N491469 [0,1,0,0,0,0|2,0,1]=4 87 B9R0.53 CC(C)CC(C)CC(=O)C D301469 [0,1,0,0,0,0|2,0,1]=4 88 B9R0.53 CC(C)CC(CC(C)C)O D155712 [0,1,0,0,0,0|1,0,2]=4 89 B9R0.56 CC(C)CCCC(C)(C)O D117531 [0,1,0,0,0,0|0,0,2]=3 90 B9R1.35 C1CC(CC1C(=O)O)O H586133 [0,0,0,1,0,0|2,0,1]=4 91 B9R1.35 CC(=O)N1CCC(C1)O R160915 [0,0,0,1,0,0|2,0,0]=3 92 B9R1.66 CC1(CC(CCO1)N)C A482079 [0,0,0,1,0,0|2,0,1]=4 93 B9R1.66 CC1(CCCC(=O)C1)C D138628 [0,0,0,1,0,0|2,0,1]=4 94 B9R1.66 CC1(CCOC(=O)C1)O D304342 [0,0,0,1,0,0|2,0,0]=3 95 B7R0.6 CC(=C)CCC(=C)C D155280 [0,0,0,0,1,0|1,0,2]=4 96 B7R0.6 CC(=CC=C(C)C)C D103154 [0,0,0,0,1,0|1,0,2]=4 97 B7R0.6 CC(=O)CCC(=O)C H106697 [0,0,0,0,1,0|1,0,2]=4 98 B7R0.6 CC(=O)CCC(=O)C H106698 [0,0,0,0,1,0|1,0,2]=4 99 B7R0.6 CC(=O)CCC(=O)C H106699 [0,0,0,0,1,0|1,0,2]=4 100 B7R0.6 CC(=O)CCC(=O)O L104281 [0,0,0,0,1,0|2,0,1]=4 101 B7R0.6 CC(=O)CCC(=O)O L278641 [0,0,0,0,1,0|2,0,1]=4 102 B7R0.6 CC(=O)CCC(=O)O L298748 [0,0,0,0,1,0|2,0,1]=4 103 B7R0.6 CC(=O)CCC(=O)O L421026 [0,0,0,0,1,0|2,0,1]=4 104 B7R0.6 CC(C)C=CC(=O)C M170732 [0,0,0,0,1,0|2,0,1]=4 105 B7R0.6 CC(C)CC=C(C)C D155272 [0,0,0,0,1,0|1,0,0]=2 106 B7R0.6 CC(C)CCC(=C)C D155278 [0,0,0,0,1,0|1,0,1]=3 107 B7R0.6 CC(C)CCC(=O)C M106666 [0,0,0,0,1,0|2,0,0]=3 108 B7R0.6 CC(C)CCC(=O)Cl M158759 [0,0,0,0,1,0|3,0,0]=4 109 B7R0.6 CC(C)CCC(=O)O M117869 [0,0,0,0,1,0|1,0,2]=4 110 B7R0.6 CC(C)CCC(C)C D155219 [0,0,0,0,1,0|1,0,1]=3 111 B7R0.6 CC(C)CCC(C)N W299301 [0,0,0,0,1,0|1,0,1]=3 112 B7R0.6 CC(C)CCC(C)O M157779 [0,0,0,0,1,0|0,0,1]=2 113 B7R0.6 CC(C)COC(=O)C I110418 [0,0,0,0,1,0|3,0,0]=4 114 B7R0.6 CC(C)COC(=O)C I110419 [0,0,0,0,1,0|3,0,0]=4 115 B7R0.6 CC(C)OCC(C)O I404594 [0,0,0,0,1,0|1,0,1]=3 116 B7R0.6 CC(CCC(C)O)O H157400 [0,0,0,0,1,0|1,0,1]=3 117 B7R0.6 CC(CCC(C)O)O R160953 [0,0,0,0,1,0|1,0,1]=3 118 B7R0.6 CC(CCC(C)O)O S133391 [0,0,0,0,1,0|1,0,1]=3 119 B7R0.6 CN(C)CCC(=O)O D132248 [0,0,0,0,1,0|2,0,1]=4 120 B7R0.6 CN(C)CCN(C)C D124689 [0,0,0,0,1,0|3,0,0]=4 121 B7R0.6 CN(C)CCN(C)C D154832 [0,0,0,0,1,0|3,0,0]=4 122 B7R0.6 CN(C)CCN(C)C D155707 [0,0,0,0,1,0|3,0,0]=4 123 B7R0.6 CN(C)CCN(C)C N274275 [0,0,0,0,1,0|3,0,0]=4 124 B7R0.6 CN(C)CCN(C)C T105496 [0,0,0,0,1,0|3,0,0]=4 125 B7R0.6 CN(C)CCN(C)C T105497 [0,0,0,0,1,0|3,0,0]=4 126 B7R0.6 CN(C)CCN(C)C T105498 [0,0,0,0,1,0|3,0,0]=4 127 B7R0.6 CN(C)CCN(C)C T140800 [0,0,0,0,1,0|3,0,0]=4 128 B7R0.6 CP(C)CCP(C)C B115375 [0,0,0,0,1,0|3,0,0]=4 129 B7R0.6 C[S+](C)CCC(=O)O C153876 [0,0,0,0,1,0|2,0,1]=4 130 B9R0.55 CC(=CCCC=C(C)[CH2-])[CH2-] D118513 [0,0,0,0,0,1|1,0,2]=4 131 B9R0.55 CC(C)NCCNC(C)C N136313 [0,0,0,0,0,1|2,0,1]=4 132 B6R0.4 C=CCCC(=O)O P160582 [2,0,0,0,0,0|1,0,1]=4 133 B6R0.4 CC(=CCCBr)C B470663 [2,0,0,0,0,0|1,0,0]=3 134 B6R0.4 CC(=O)CCC=C H113634 [2,0,0,0,0,0|0,0,2]=4 135 B6R0.4 CC(=O)CCCBr B345087 [2,0,0,0,0,0|2,0,0]=4 136 B6R0.4 CC(=O)CCCCl C108070 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.4 CC(=O)CCSC M135087 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.4 CC(=O)NCCO A112970 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.4 CC(=O)NCCO A112971 [2,0,0,0,0,0|2,0,0]=4 140 B6R0.4 CC(=O)OCCO H156959 [2,0,0,0,0,0|2,0,0]=4 141 B6R0.4 CC(C)CCC=O M586390 [2,0,0,0,0,0|2,0,0]=4 142 B6R0.4 CC(C)CCCBr B152440 [2,0,0,0,0,0|1,0,1]=4 143 B6R0.4 CC(C)CCCO I136441 [2,0,0,0,0,0|0,0,1]=3 144 B6R0.4 CC(C)COC=C I109049 [2,0,0,0,0,0|2,0,0]=4 145 B6R0.4 CC(C)COC=C I109050 [2,0,0,0,0,0|2,0,0]=4 146 B6R0.4 CC(C)NCC=C N339371 [2,0,0,0,0,0|2,0,0]=4 147 B6R0.4 CC(C)NCCO I157482 [2,0,0,0,0,0|1,0,1]=4 148 B6R0.4 CC(C)NCCO I431393 [2,0,0,0,0,0|1,0,1]=4 149 B6R0.4 CC(C)OCCO I106814 [2,0,0,0,0,0|1,0,1]=4 150 B6R0.4 CC(CCCO)O P171240 [2,0,0,0,0,0|1,0,1]=4 151 B6R0.4 CC=CCC(=O)O P165142 [2,0,0,0,0,0|1,0,1]=4 152 B6R0.4 CCCCC(=N)N D305243 [2,0,0,0,0,0|2,0,0]=4 153 B6R0.4 CCCCC(=O)Br V162931 [2,0,0,0,0,0|2,0,0]=4 154 B6R0.4 CCCCC(=O)C H105743 [2,0,0,0,0,0|1,0,0]=3 155 B6R0.4 CCCCC(=O)C H105744 [2,0,0,0,0,0|1,0,0]=3 156 B6R0.4 CCCCC(=O)C H111491 [2,0,0,0,0,0|1,0,0]=3 157 B6R0.4 CCCCC(=O)C H141140 [2,0,0,0,0,0|1,0,0]=3 158 B6R0.4 CCCCC(=O)Cl V107241 [2,0,0,0,0,0|2,0,0]=4 159 B6R0.4 CCCCC(=O)N V162967 [2,0,0,0,0,0|2,0,0]=4 160 B6R0.4 CCCCC(=O)O V108269 [2,0,0,0,0,0|2,0,0]=4 161 B6R0.4 CCCCC(=O)O V108270 [2,0,0,0,0,0|2,0,0]=4 162 B6R0.4 CCCCC(=O)O V108271 [2,0,0,0,0,0|2,0,0]=4 163 B6R0.4 CCCCC(=O)O V108272 [2,0,0,0,0,0|2,0,0]=4 164 B6R0.4 CCCCC(=O)O V302252 [2,0,0,0,0,0|2,0,0]=4 165 B6R0.4 CCCCC(=O)[O-] S194180 [2,0,0,0,0,0|2,0,0]=4 166 B6R0.4 CCCCC(C)C M158516 [2,0,0,0,0,0|0,0,1]=3 167 B6R0.4 CCCCC(C)Cl C153661 [2,0,0,0,0,0|1,0,1]=4 168 B6R0.4 CCCCC(C)N B301374 [2,0,0,0,0,0|1,0,1]=4 169 B6R0.4 CCCCC(C)O H105565 [2,0,0,0,0,0|0,0,1]=3 170 B6R0.4 CCCCC(C)O I170762 [2,0,0,0,0,0|0,0,1]=3 171 B6R0.4 CCCCC(C)O R588494 [2,0,0,0,0,0|0,0,1]=3 172 B6R0.4 CCCCN(C)C D108036 [2,0,0,0,0,0|1,0,0]=3 173 B6R0.4 CCCOC(=O)C P103882 [2,0,0,0,0,0|2,0,0]=4 174 B6R0.4 CCCOC(=O)C P103883 [2,0,0,0,0,0|2,0,0]=4 175 B6R0.4 CCCSC(=O)C S161333 [2,0,0,0,0,0|2,0,0]=4 176 B6R0.4 CCCSC(C)C I157608 [2,0,0,0,0,0|1,0,1]=4 177 B6R0.4 CCOCC(C)O E110143 [2,0,0,0,0,0|1,0,1]=4 178 B6R0.4 CN(C)CCCBr B194072 [2,0,0,0,0,0|2,0,0]=4 179 B6R0.4 CN(C)CCCCl C353600 [2,0,0,0,0,0|2,0,0]=4 180 B6R0.4 CN(C)CCCCl D154697 [2,0,0,0,0,0|2,0,0]=4 181 B6R0.4 CN(C)CCCN D110909 [2,0,0,0,0,0|2,0,0]=4 182 B6R0.4 CN(C)CCCN N493682 [2,0,0,0,0,0|2,0,0]=4 183 B6R0.4 CN(C)CCCN N494190 [2,0,0,0,0,0|2,0,0]=4 184 B6R0.4 CN(C)CCCO D106344 [2,0,0,0,0,0|1,0,0]=3 185 B6R0.4 CNCCN(C)C N159374 [2,0,0,0,0,0|2,0,0]=4 186 B6R0.4 CNCCN(C)C N192745 [2,0,0,0,0,0|2,0,0]=4 187 B6R0.6 C=CCCCCO H113637 [2,0,0,0,0,0|0,0,2]=4 188 B6R0.6 CC=CC=CCO I167855 [2,0,0,0,0,0|0,0,2]=4 189 B6R0.6 CC=CC=CCO T470463 [2,0,0,0,0,0|0,0,2]=4 190 B6R0.6 CC=CCCCO H300983 [2,0,0,0,0,0|0,0,0]=2 191 B6R0.6 CCC=CCCO C426965 [2,0,0,0,0,0|0,0,2]=4 192 B6R0.6 CCC=CCCO H112690 [2,0,0,0,0,0|0,0,2]=4 193 B6R0.6 CCC=CCCO L106205 [2,0,0,0,0,0|0,0,2]=4 194 B6R0.6 CCCC=CC=O H107633 [2,0,0,0,0,0|1,0,1]=4 195 B6R0.6 CCCC=CC=O T425385 [2,0,0,0,0,0|1,0,1]=4 196 B6R0.6 CCCCCC=C H110653 [2,0,0,0,0,0|0,0,2]=4 197 B6R0.6 CCCCCC=C H110654 [2,0,0,0,0,0|0,0,2]=4 198 B6R0.6 CCCCCC=C H110655 [2,0,0,0,0,0|0,0,2]=4 199 B6R0.6 CCCCCC=O C109199 [2,0,0,0,0,0|1,0,1]=4 200 B6R0.6 CCCCCC=O C109200 [2,0,0,0,0,0|1,0,1]=4 201 B6R0.6 CCCCCCC H108102 [2,0,0,0,0,0|0,0,2]=4 202 B6R0.6 CCCCCCC H108103 [2,0,0,0,0,0|0,0,2]=4 203 B6R0.6 CCCCCCC H108105 [2,0,0,0,0,0|0,0,2]=4 204 B6R0.6 CCCCCCC H108108 [2,0,0,0,0,0|0,0,2]=4 205 B6R0.6 CCCCCCC H108111 [2,0,0,0,0,0|0,0,2]=4 206 B6R0.6 CCCCCCC H108112 [2,0,0,0,0,0|0,0,2]=4 207 B6R0.6 CCCCCCC H118382 [2,0,0,0,0,0|0,0,2]=4 208 B6R0.6 CCCCCCC H119701 [2,0,0,0,0,0|0,0,2]=4 209 B6R0.6 CCCCCCO H103420 [2,0,0,0,0,0|0,0,2]=4 210 B6R0.6 CCCCCCO H103421 [2,0,0,0,0,0|0,0,2]=4 211 B6R0.6 CCCCCCO H103422 [2,0,0,0,0,0|0,0,2]=4 212 B6R0.6 CCCCCCO H103423 [2,0,0,0,0,0|0,0,2]=4 213 B6R0.6 CCCCCCO H119678 [2,0,0,0,0,0|0,0,2]=4 214 B6R0.6 CCCCCNC M124210 [2,0,0,0,0,0|1,0,1]=4 215 B6R0.6 CCCCCSC A151354 [2,0,0,0,0,0|1,0,1]=4 216 B6R0.6 CCCCNCC N158928 [2,0,0,0,0,0|1,0,1]=4 217 B6R0.6 CCCCOC=C B123186 [2,0,0,0,0,0|1,0,1]=4 218 B6R0.6 CCCCOC=C B123187 [2,0,0,0,0,0|1,0,1]=4 219 B6R0.6 CCCCOC=O B109260 [2,0,0,0,0,0|2,0,0]=4 220 B6R0.6 CCCCOC=O B109261 [2,0,0,0,0,0|2,0,0]=4 221 B6R0.6 CCCCSCC B152507 [2,0,0,0,0,0|1,0,1]=4 222 B6R0.6 CCNCCCO E300231 [2,0,0,0,0,0|1,0,1]=4 223 B6R0.6 CCOCCCO E108059 [2,0,0,0,0,0|1,0,1]=4 224 B6R0.6 CCSCCCO E300079 [2,0,0,0,0,0|1,0,1]=4 225 B6R0.6 CNCCCCO M193351 [2,0,0,0,0,0|1,0,1]=4 226 B6R0.6 COCCCCO B152046 [2,0,0,0,0,0|1,0,1]=4 227 B6R0.6 CSCCCCO M468928 [2,0,0,0,0,0|1,0,1]=4 228 B8R0.5 CCCC(C)CC(=C)C D155264 [1,1,0,0,0,0|0,0,2]=4 229 B8R0.5 CCCC(C)CC(C)C D155226 [1,1,0,0,0,0|0,0,2]=4 230 B8R0.5 CCCC(C)CC(C)C D414618 [1,1,0,0,0,0|0,0,2]=4 231 B8R0.5 CCOC(=O)C=C(C)C E156154 [1,1,0,0,0,0|1,0,1]=4 232 B8R0.6 CCCC=CC(=O)OC M134288 [1,1,0,0,0,0|1,0,1]=4 233 B8R0.6 CCCCCC(=O)CC O106928 [1,1,0,0,0,0|1,0,1]=4 234 B8R0.6 CCCCCC(=O)CC O106929 [1,1,0,0,0,0|1,0,1]=4 235 B8R0.6 CCCCCC(=O)OC M112312 [1,1,0,0,0,0|1,0,1]=4 236 B8R0.6 CCCCCC(=O)OC M112313 [1,1,0,0,0,0|1,0,1]=4 237 B8R0.6 CCCCCC(=O)OC M112314 [1,1,0,0,0,0|1,0,1]=4 238 B8R0.6 CCCCCC(C)CC M158522 [1,1,0,0,0,0|0,0,2]=4 239 B8R0.6 CCCCCC(CC)O O159907 [1,1,0,0,0,0|0,0,2]=4 240 B8R0.6 CCCCNC(=O)CCl N193799 [1,1,0,0,0,0|2,0,0]=4 241 B8R0.6 CCCCOC(=O)CC B152863 [1,1,0,0,0,0|2,0,0]=4 242 B8R0.6 CCCCOC(=O)CCl B152888 [1,1,0,0,0,0|2,0,0]=4 243 B8R0.6 CCCCOC(=O)CO B134012 [1,1,0,0,0,0|2,0,0]=4 244 B8R0.6 CCCCOC(=O)CO B493056 [1,1,0,0,0,0|2,0,0]=4 245 B8R0.6 CCCCOC(=O)CS B152740 [1,1,0,0,0,0|2,0,0]=4 246 B8R0.7 CC(=O)NCCCCN I168071 [1,1,0,0,0,0|2,0,0]=4 247 B8R0.7 CC(=O)NCCCCN N159176 [1,1,0,0,0,0|2,0,0]=4 248 B8R0.7 CC(=O)OCCCCBr B136623 [1,1,0,0,0,0|2,0,0]=4 249 B8R0.7 CC(=O)OCCCCCl C133987 [1,1,0,0,0,0|2,0,0]=4 250 B8R0.7 CC(=O)OCCCCI I476998 [1,1,0,0,0,0|2,0,0]=4 251 B8R0.7 CC(=O)OCCCSC M157982 [1,1,0,0,0,0|2,0,0]=4 252 B8R0.7 CC(C)NCCCCO I157483 [1,1,0,0,0,0|0,0,2]=4 253 B8R0.7 CCCCC=CC(=O)C O100829 [1,1,0,0,0,0|1,0,0]=3 254 B8R0.7 CCCCC=CC(=O)O H305279 [1,1,0,0,0,0|2,0,0]=4 255 B8R0.7 CCCCCCC(=O)C O111186 [1,1,0,0,0,0|1,0,1]=4 256 B8R0.7 CCCCCCC(=O)C O111187 [1,1,0,0,0,0|1,0,1]=4 257 B8R0.7 CCCCCCC(C)C M158524 [1,1,0,0,0,0|0,0,2]=4 258 B8R0.7 CCCCCCC(C)O O111525 [1,1,0,0,0,0|0,0,2]=4 259 B8R0.7 CCCCCCC(C)O O111526 [1,1,0,0,0,0|0,0,2]=4 260 B8R0.7 CCCCCCC(C)O O111527 [1,1,0,0,0,0|0,0,2]=4 261 B8R0.7 CCCCCCC(C)O O111528 [1,1,0,0,0,0|0,0,2]=4 262 B8R0.7 CCCCCCC(C)O R160889 [1,1,0,0,0,0|0,0,2]=4 263 B8R0.7 CCCCCCC(C)O S161171 [1,1,0,0,0,0|0,0,2]=4 264 B8R0.7 CCCCCCN(C)C N303722 [1,1,0,0,0,0|1,0,1]=4 265 B8R0.7 CCCCCOC(=O)C A103450 [1,1,0,0,0,0|1,0,1]=4 266 B8R0.7 CCCCCOC(=O)C A103451 [1,1,0,0,0,0|1,0,1]=4 267 B8R0.7 CCCCCOC(=O)C A103452 [1,1,0,0,0,0|1,0,1]=4 268 B8R0.7 CCCCOCC(C)O B151801 [1,1,0,0,0,0|0,0,2]=4 269 B8R0.7 CCOCCOC(=O)C E105181 [1,1,0,0,0,0|2,0,0]=4 270 B8R0.7 CCOCCOC(=O)C E105183 [1,1,0,0,0,0|2,0,0]=4 271 B8R0.7 CCOCCOC(=O)C E105184 [1,1,0,0,0,0|2,0,0]=4 272 B8R0.7 CN(C)CCOCCO D124510 [1,1,0,0,0,0|1,0,1]=4 273 B8R0.8 CC(=C)C(=O)OCCO H103044 [1,1,0,0,0,0|1,0,1]=4 274 B8R0.8 CC(=C)C(=O)OCCO H140643 [1,1,0,0,0,0|1,0,1]=4 275 B8R0.8 CC(=C)C(=O)OCCO H140644 [1,1,0,0,0,0|1,0,1]=4 276 B8R0.8 CC(=C)C(=O)OCCO H303891 [1,1,0,0,0,0|1,0,1]=4 277 B8R0.8 CC(=C)C(=O)OCCO H434293 [1,1,0,0,0,0|1,0,1]=4 278 B8R0.8 CCCCC(=O)C(=O)C H106591 [1,1,0,0,0,0|1,0,0]=3 279 B8R0.8 CCCCC(=O)C(=O)[O-] K471800 [1,1,0,0,0,0|2,0,0]=4 280 B8R0.8 CCCCC(=O)C(C)C M158862 [1,1,0,0,0,0|0,0,1]=3 281 B8R0.8 CCCCC(C)C(C)C D155224 [1,1,0,0,0,0|0,0,2]=4 282 B8R0.8 CCCOC(=O)C(=C)C N338922 [1,1,0,0,0,0|1,0,1]=4 283 B8R0.8 CCCOC(=O)C(C)C P133971 [1,1,0,0,0,0|1,0,1]=4 284 B8R0.8 CN(C)C(=O)CCOC M404748 [1,1,0,0,0,0|2,0,0]=4 285 B8R0.9 CC(=O)OCC(CO)O M158754 [1,1,0,0,0,0|2,0,0]=4 286 B8R0.9 CC(C)CCC(=O)OC M464241 [1,1,0,0,0,0|2,0,0]=4 287 B8R0.9 CC(C)NCC(CO)O I304271 [1,1,0,0,0,0|1,0,1]=4 288 B8R0.9 CC(COC(=O)C=C)O H100855 [1,1,0,0,0,0|1,0,1]=4 289 B8R0.9 CCC(C)CCC(C)C D155227 [1,1,0,0,0,0|0,0,2]=4 290 B8R0.9 CCC(C)COC(=O)C M111920 [1,1,0,0,0,0|2,0,0]=4 291 B8R0.21 CCCC=CC(C)(C)C T161772 [1,1,0,0,0,0|0,0,2]=4 292 B8R0.21 C[Si](C)(C)CCCCO T303337 [1,1,0,0,0,0|0,1,1]=4 293 B8R0.23 CC(C(CC(=O)O)N)O H352839 [0,1,0,0,1,0|2,0,0]=4 294 B8R0.23 CC(C)CC(=O)C(C)C D154365 [0,1,0,0,1,0|1,0,1]=4 295 B8R0.29 CC(C)CCC(C)(C)C T161706 [0,1,0,0,1,0|1,0,1]=4 296 B10R0.98 CC(C)CCOC(=O)C(C)C I157523 [0,1,0,0,0,1|1,0,1]=4 297 B10R0.3 CC(=CCCC(=CC#N)C)C G105815 [0,2,0,0,0,0|1,0,1]=4 298 B10R0.3 CC(=CCCC(=CC=O)C)C C104134 [0,2,0,0,0,0|0,0,2]=4 299 B10R0.3 CC(=CCCC(=CC=O)C)C C424608 [0,2,0,0,0,0|0,0,2]=4 300 B10R0.3 CC(=CCCC(=CCCl)C)C G118377 [0,2,0,0,0,0|1,0,1]=4 301 B10R0.3 CC(=CCCC(=CCO)C)C G107515 [0,2,0,0,0,0|0,0,1]=3 302 B10R0.3 CC(=CCCC(=CCO)C)C G107517 [0,2,0,0,0,0|0,0,1]=3 303 B10R0.3 CC(=CCCC(=CCO)C)C G401338 [0,2,0,0,0,0|0,0,1]=3 304 B10R0.3 CC(=CCCC(=CCO)C)C G420497 [0,2,0,0,0,0|0,0,1]=3 305 B10R0.3 CC(=CCCC(=CCO)C)C N101447 [0,2,0,0,0,0|0,0,1]=3 306 B10R0.3 CC(C)CCCC(C)CCO T110148 [0,2,0,0,0,0|0,0,2]=4 307 B10R0.3 CC(CCC=C(C)C)CC=O C110150 [0,2,0,0,0,0|0,0,1]=3 308 B10R0.3 CC(CCC=C(C)C)CC=O C118628 [0,2,0,0,0,0|0,0,1]=3 309 B10R0.3 CC(CCC=C(C)C)CC=O C420495 [0,2,0,0,0,0|0,0,1]=3 310 B10R0.3 CC(CCC=C(C)C)CC=O C424959 [0,2,0,0,0,0|0,0,1]=3 311 B10R0.3 CC(CCC=C(C)C)CC=O C573626 [0,2,0,0,0,0|0,0,1]=3 312 B10R0.3 CC(CCC=C(C)C)CC=O S468432 [0,2,0,0,0,0|0,0,1]=3 313 B10R0.3 CC(CCC=C(C)C)CCBr S467116 [0,2,0,0,0,0|1,0,0]=3 314 B10R0.3 CC(CCC=C(C)C)CCO C102066 [0,2,0,0,0,0|0,0,0]=2 315 B10R0.3 CC(CCC=C(C)C)CCO C102068 [0,2,0,0,0,0|0,0,0]=2 316 B10R0.3 CC(CCC=C(C)C)CCO C111343 [0,2,0,0,0,0|0,0,0]=2 317 B10R0.3 CC(CCCC(=C)C)CCO R485524 [0,2,0,0,0,0|0,0,2]=4 318 B10R0.57 CC=C(C)C(=O)OCC(C)C I157560 [0,2,0,0,0,0|2,0,0]=4 319 B10R0.59 CC(CCOC(=O)CS)OC M158005 [0,2,0,0,0,0|2,0,0]=4 320 B10R0.65 CC(=CCCC(C)(C#C)O)C D404335 [0,2,0,0,0,0|0,0,0]=2 321 B10R0.65 CC(=CCCC(C)(C=C)O)C L106905 [0,2,0,0,0,0|0,0,0]=2 322 B10R0.65 CC(=CCCC(C)(C=C)O)C L302318 [0,2,0,0,0,0|0,0,0]=2 323 B10R0.65 CC(=CCCC(C)(C=C)O)C L425960 [0,2,0,0,0,0|0,0,0]=2 324 B10R0.65 CC(=O)OCCC(C)(C)OC M157992 [0,2,0,0,0,0|2,0,0]=4 325 B10R0.65 CCC(C)(CCC=C(C)C)O D102057 [0,2,0,0,0,0|0,0,0]=2 326 B10R0.65 CCC(C)(CCCC(C)C)O T110098 [0,2,0,0,0,0|0,0,2]=4 327 B10R0.77 CN(C)CCCC(OC)OC D154343 [0,2,0,0,0,0|1,0,1]=4 328 B10R0.82 CC(=C)C(=O)OCC(CCl)O C153727 [0,2,0,0,0,0|1,0,1]=4 329 B10R0.82 CC(=C)C(=O)OCC(CO)O D304083 [0,2,0,0,0,0|1,0,1]=4 330 B10R0.82 CCC(COC(=O)C(=C)C)O H404570 [0,2,0,0,0,0|1,0,1]=4 331 B8R1.1 CN1CCC(C1)CO R172594 [1,0,0,1,0,0|1,0,1]=4 332 B8R1.4 C1CNC(=O)CC1O H193522 [1,0,0,1,0,0|2,0,0]=4 333 B8R1.4 CC1=CC(CCC1)O M168575 [1,0,0,1,0,0|0,0,2]=4 334 B8R1.4 CC1CCCC(=O)C1 M117710 [1,0,0,1,0,0|1,0,1]=4 335 B8R1.4 CC1CCCC(=O)C1 R472235 [1,0,0,1,0,0|1,0,1]=4 336 B8R1.4 CC1CCCC(=O)O1 D155361 [1,0,0,1,0,0|1,0,1]=4 337 B8R1.4 CC1CCCC(C1)C C153348 [1,0,0,1,0,0|0,0,2]=4 338 B8R1.4 CC1CCCC(C1)C D155810 [1,0,0,1,0,0|0,0,2]=4 339 B8R1.4 CC1CCCC(C1)O M106721 [1,0,0,1,0,0|0,0,2]=4 340 B8R1.4 CC1CCOC(O1)C D155542 [1,0,0,1,0,0|1,0,1]=4 341 B8R1.7 C1C=CCC1C(=O)O C153744 [1,0,0,1,0,0|1,0,1]=4 342 B8R1.7 CC(=C)C1=NCCO1 I472189 [1,0,0,1,0,0|1,0,1]=4 343 B8R1.7 CC(=O)C1CCCC1 C194132 [1,0,0,1,0,0|1,0,1]=4 344 B8R1.7 CC(=O)N1CCCC1 A151303 [1,0,0,1,0,0|2,0,0]=4 345 B8R1.7 CC(C1CCCC1)O C349965 [1,0,0,1,0,0|0,0,2]=4 346 B8R1.22 C1CCC(=O)C=CC1 C138031 [1,0,0,1,0,0|1,0,1]=4 347 B8R1.22 C1CCC(=O)NCC1 C111698 [1,0,0,1,0,0|2,0,0]=4 348 B8R1.22 C1CCC(=O)NCC1 C111700 [1,0,0,1,0,0|2,0,0]=4 349 B8R1.22 C1CCC(=O)OCC1 C109521 [1,0,0,1,0,0|2,0,0]=4 350 B8R1.22 C1CCC(=O)OCC1 C398060 [1,0,0,1,0,0|2,0,0]=4 351 B8R1.22 C1CCC(=O)OCC1 P299385 [1,0,0,1,0,0|2,0,0]=4 352 B8R1.22 C1CCC(=O)OCC1 P398622 [1,0,0,1,0,0|2,0,0]=4 353 B8R1.22 C1CCC(=O)OCC1 P478241 [1,0,0,1,0,0|2,0,0]=4 354 B8R1.22 C1CCC(=O)OCC1 P485972 [1,0,0,1,0,0|2,0,0]=4 355 B8R1.22 C1CCC(=O)OCC1 P579406 [1,0,0,1,0,0|2,0,0]=4 356 B8R1.22 C1CCC(=S)NCC1 T140461 [1,0,0,1,0,0|2,0,0]=4 357 B8R1.22 C1CCCC(=O)CC1 C111127 [1,0,0,1,0,0|1,0,1]=4 358 B8R1.22 C1CCCC(CC1)O C105241 [1,0,0,1,0,0|0,0,2]=4 359 B8R1.35 CC(C)OCC1CO1 G156843 [1,0,0,1,0,0|1,0,1]=4 360 B8R1.36 CCCCCC1CO1 E156381 [1,0,0,1,0,0|0,0,2]=4 361 B8R1.72 CC1(CCCCC1)O M102063 [1,0,0,1,0,0|0,0,2]=4 362 B8R1.72 CC1(CCCNC1)O M176551 [1,0,0,1,0,0|1,0,1]=4 363 B8R1.72 CC1(CCCNC1)O M492417 [1,0,0,1,0,0|1,0,1]=4 364 B8R1.72 CC1(CCNCC1)O M176376 [1,0,0,1,0,0|1,0,1]=4 365 B8R1.72 C[N+]1(CCCCC1)C M114650 [1,0,0,1,0,0|1,0,1]=4 366 B8R1.72 C[N+]1(CCCCC1)C M118597 [1,0,0,1,0,0|1,0,1]=4 367 B8R1.3 C1CC(=O)CCC1N A194532 [0,0,0,1,1,0|2,0,0]=4 368 B8R1.3 C1CC(=O)CCC1O H190648 [0,0,0,1,1,0|1,0,0]=3 369 B8R1.3 C1CC(=O)NCC1O H191838 [0,0,0,1,1,0|2,0,0]=4 370 B8R1.3 C1CC(CCC1N)O A589874 [0,0,0,1,1,0|1,0,1]=4 371 B8R1.3 C1CC(CCC1N)O A590121 [0,0,0,1,1,0|1,0,1]=4 372 B8R1.3 C1CC(CCC1N)O C176801 [0,0,0,1,1,0|1,0,1]=4 373 B8R1.3 C1CC(CCC1N)O C589031 [0,0,0,1,1,0|1,0,1]=4 374 B8R1.3 C1CC(CCC1N)O T161619 [0,0,0,1,1,0|1,0,1]=4 375 B8R1.3 C1CC(CCC1N)O T349966 [0,0,0,1,1,0|1,0,1]=4 376 B8R1.3 C1CC(CCC1O)O C109099 [0,0,0,1,1,0|1,0,1]=4 377 B8R1.3 CC1CCC(=O)CC1 M106719 [0,0,0,1,1,0|2,0,0]=4 378 B8R1.3 CC1CCC(=O)CC1 M113653 [0,0,0,1,1,0|2,0,0]=4 379 B8R1.3 CC1CCC(CC1)Br B301345 [0,0,0,1,1,0|1,0,1]=4 380 B8R1.3 CC1CCC(CC1)C C153597 [0,0,0,1,1,0|1,0,1]=4 381 B8R1.3 CC1CCC(CC1)C D155234 [0,0,0,1,1,0|1,0,1]=4 382 B8R1.3 CC1CCC(CC1)C T161837 [0,0,0,1,1,0|1,0,1]=4 383 B8R1.3 CC1CCC(CC1)N C348902 [0,0,0,1,1,0|1,0,1]=4 384 B8R1.3 CC1CCC(CC1)N C404679 [0,0,0,1,1,0|1,0,1]=4 385 B8R1.3 CC1CCC(CC1)N I132581 [0,0,0,1,1,0|1,0,1]=4 386 B8R1.3 CC1CCC(CC1)N M158849 [0,0,0,1,1,0|1,0,1]=4 387 B8R1.3 CC1CCC(CC1)N M158850 [0,0,0,1,1,0|1,0,1]=4 388 B8R1.3 CC1CCC(CC1)O C153285 [0,0,0,1,1,0|0,0,1]=3 389 B8R1.3 CC1CCC(CC1)O M157776 [0,0,0,1,1,0|0,0,1]=3 390 B8R1.3 CC1CCC(CC1)O T162592 [0,0,0,1,1,0|0,0,1]=3 391 B8R1.3 CN1CCC(CC1)Br B194964 [0,0,0,1,1,0|2,0,0]=4 392 B8R1.3 CN1CCC(CC1)Cl C140163 [0,0,0,1,1,0|2,0,0]=4 393 B8R1.3 CN1CCC(CC1)Cl N133495 [0,0,0,1,1,0|2,0,0]=4 394 B8R1.3 CN1CCC(CC1)N A123220 [0,0,0,1,1,0|2,0,0]=4 395 B8R1.3 CN1CCC(CC1)O H156974 [0,0,0,1,1,0|1,0,0]=3 396 B8R1.51 CC1(CCC(=O)C1)C D175598 [0,0,0,1,1,0|2,0,0]=4 397 B8R1.51 CC1COC(O1)(C)C T161554 [0,0,0,1,1,0|1,0,1]=4 398 B10R1.54 CC1COC(O1)CC(C)C I157438 [0,0,0,1,0,1|0,0,2]=4 399 B10R1.13 CC(=O)N1CCC(CC1)O E176408 [0,1,0,1,0,0|2,0,0]=4 400 B10R1.13 CC(C)C1CCC(CC1)O I157466 [0,1,0,1,0,0|0,0,2]=4 401 B10R1.13 CC(C)C1CCC(CC1)O T162736 [0,1,0,1,0,0|0,0,2]=4 402 B10R1.13 CC(C)N1CCC(CC1)O I193922 [0,1,0,1,0,0|1,0,1]=4 403 B10R1.13 CC1=CCC(=C(C)C)CC1 T111094 [0,1,0,1,0,0|1,0,1]=4 404 B10R1.13 CC1=CCC(=C(C)C)CC1 T435004 [0,1,0,1,0,0|1,0,1]=4 405 B10R1.13 CC1=CCC(=CC1)C(C)C G156812 [0,1,0,1,0,0|1,0,1]=4 406 B10R1.13 CC1=CCC(C=C1)C(C)C A151161 [0,1,0,1,0,0|1,0,1]=4 407 B10R1.13 CC1=CCC(CC1)C(=C)C D106755 [0,1,0,1,0,0|1,0,1]=4 408 B10R1.13 CC1=CCC(CC1)C(=C)C D106756 [0,1,0,1,0,0|1,0,1]=4 409 B10R1.13 CC1=CCC(CC1)C(=C)C D304599 [0,1,0,1,0,0|1,0,1]=4 410 B10R1.13 CC1=CCC(CC1)C(=C)C L106923 [0,1,0,1,0,0|1,0,1]=4 411 B10R1.13 CC1=CCC(CC1)C(=C)C L128108 [0,1,0,1,0,0|1,0,1]=4 412 B10R1.13 CC1=CCC(CC1)C(=C)C L157739 [0,1,0,1,0,0|1,0,1]=4 413 B10R1.13 CC1=CCC(CC1)C(=C)C L424983 [0,1,0,1,0,0|1,0,1]=4 414 B10R1.13 CC1=CCC(CC1)C(=C)C R433044 [0,1,0,1,0,0|1,0,1]=4 415 B10R1.13 CC1=CCC(CC1)C(=C)C R463296 [0,1,0,1,0,0|1,0,1]=4 416 B10R1.205 CC(=C)C(=O)OCC1CO1 G106686 [0,1,0,1,0,0|1,0,1]=4 417 B10R1.205 CC(=C)C(=O)OCC1CO1 G120382 [0,1,0,1,0,0|1,0,1]=4 418 B10R1.205 CC(=C)C(=O)OCC1CO1 G120383 [0,1,0,1,0,0|1,0,1]=4 419 B10R1.205 CC(=C)C(=O)OCC1CO1 G120385 [0,1,0,1,0,0|1,0,1]=4 420 B10R1.205 CC(=C)C(=O)OCC1CO1 G120386 [0,1,0,1,0,0|1,0,1]=4 421 B10R1.205 CC(=C)C(=O)OCC1CO1 G120387 [0,1,0,1,0,0|1,0,1]=4 422 B10R1.205 CC(=C)C(=O)OCC1CO1 G120388 [0,1,0,1,0,0|1,0,1]=4 423 B10R1.205 CC(=C)C(=O)OCC1CO1 G120390 [0,1,0,1,0,0|1,0,1]=4 424 B10R1.329 CC1=CC(=O)CC(C1)(C)C I110612 [0,1,0,1,0,0|1,0,1]=4 425 B10R1.329 CC1=CC(=O)CC(C1)(C)C I425954 [0,1,0,1,0,0|1,0,1]=4 426 B10R1.329 CC1CC(CC(C1)(C)C)O C153390 [0,1,0,1,0,0|0,0,2]=4 427 B10R1.329 CC1CC(CC(C1)(C)C)O T124737 [0,1,0,1,0,0|0,0,2]=4 428 B10R1.329 CC1CC(CC(C1)(C)C)O T131026 [0,1,0,1,0,0|0,0,2]=4 429 B6R0.2 B(C=C(C)C)(O)O M587289 [0,0,0,0,2,0|2,0,0]=4 430 B6R0.2 CC(=CC(=O)C)C M105926 [0,0,0,0,2,0|0,0,2]=4 431 B6R0.2 CC(=CC(=O)C)C M105927 [0,0,0,0,2,0|0,0,2]=4 432 B6R0.2 CC(=CC(=O)C)C M105928 [0,0,0,0,2,0|0,0,2]=4 433 B6R0.2 CC(=CC(=O)C)O A118525 [0,0,0,0,2,0|1,0,1]=4 434 B6R0.2 CC(=CC(=O)C)O A118538 [0,0,0,0,2,0|1,0,1]=4 435 B6R0.2 CC(=CC(=O)C)O A579873 [0,0,0,0,2,0|1,0,1]=4 436 B6R0.2 CC(=CC(=O)C)O B152272 [0,0,0,0,2,0|1,0,1]=4 437 B6R0.2 CC(=CC(=O)C)O C109323 [0,0,0,0,2,0|1,0,1]=4 438 B6R0.2 CC(=CC(=O)C)O C140817 [0,0,0,0,2,0|1,0,1]=4 439 B6R0.2 CC(=CC(=O)C)O C283471 [0,0,0,0,2,0|1,0,1]=4 440 B6R0.2 CC(=CC(=O)C)O C486854 [0,0,0,0,2,0|1,0,1]=4 441 B6R0.2 CC(=CC(=O)C)O D302912 [0,0,0,0,2,0|1,0,1]=4 442 B6R0.2 CC(=CC(=O)C)O E302901 [0,0,0,0,2,0|1,0,1]=4 443 B6R0.2 CC(=CC(=O)C)O E347622 [0,0,0,0,2,0|1,0,1]=4 444 B6R0.2 CC(=CC(=O)C)O G304265 [0,0,0,0,2,0|1,0,1]=4 445 B6R0.2 CC(=CC(=O)C)O H107857 [0,0,0,0,2,0|1,0,1]=4 446 B6R0.2 CC(=CC(=O)C)O I138305 [0,0,0,0,2,0|1,0,1]=4 447 B6R0.2 CC(=CC(=O)C)O I294571 [0,0,0,0,2,0|1,0,1]=4 448 B6R0.2 CC(=CC(=O)C)O M106182 [0,0,0,0,2,0|1,0,1]=4 449 B6R0.2 CC(=CC(=O)C)O P101065 [0,0,0,0,2,0|1,0,1]=4 450 B6R0.2 CC(=CC(=O)C)O P119025 [0,0,0,0,2,0|1,0,1]=4 451 B6R0.2 CC(=CC(=O)C)O P119026 [0,0,0,0,2,0|1,0,1]=4 452 B6R0.2 CC(=CC(=O)C)O P293928 [0,0,0,0,2,0|1,0,1]=4 453 B6R0.2 CC(=CC(=O)C)O R118502 [0,0,0,0,2,0|1,0,1]=4 454 B6R0.2 CC(=CC(=O)C)O R118539 [0,0,0,0,2,0|1,0,1]=4 455 B6R0.2 CC(=CC(=O)C)O R118540 [0,0,0,0,2,0|1,0,1]=4 456 B6R0.2 CC(=CC(=O)C)O R294372 [0,0,0,0,2,0|1,0,1]=4 457 B6R0.2 CC(=CC(=O)C)O R639975 [0,0,0,0,2,0|1,0,1]=4 458 B6R0.2 CC(=CC(=O)C)O S298504 [0,0,0,0,2,0|1,0,1]=4 459 B6R0.2 CC(=CC(=O)C)O T283063 [0,0,0,0,2,0|1,0,1]=4 460 B6R0.2 CC(=CC(=O)C)O T302818 [0,0,0,0,2,0|1,0,1]=4 461 B6R0.2 CC(=CC(=O)C)O T302908 [0,0,0,0,2,0|1,0,1]=4 462 B6R0.2 CC(=CC(=O)C)O V109324 [0,0,0,0,2,0|1,0,1]=4 463 B6R0.2 CC(=CC(=O)C)O V109325 [0,0,0,0,2,0|1,0,1]=4 464 B6R0.2 CC(=CC(=O)C)O Y191992 [0,0,0,0,2,0|1,0,1]=4 465 B6R0.2 CC(=CC(=O)C)O Y283039 [0,0,0,0,2,0|1,0,1]=4 466 B6R0.2 CC(=CC(=O)O)C D102028 [0,0,0,0,2,0|1,0,1]=4 467 B6R0.2 CC(C)C=C(C)C D155423 [0,0,0,0,2,0|1,0,0]=3 468 B6R0.2 CC(C)CC(=O)C M108736 [0,0,0,0,2,0|2,0,0]=4 469 B6R0.2 CC(C)CC(=O)C M108737 [0,0,0,0,2,0|2,0,0]=4 470 B6R0.2 CC(C)CC(=O)C M108738 [0,0,0,0,2,0|2,0,0]=4 471 B6R0.2 CC(C)CC(=O)C M108740 [0,0,0,0,2,0|2,0,0]=4 472 B6R0.2 CC(C)CC(=O)C M108741 [0,0,0,0,2,0|2,0,0]=4 473 B6R0.2 CC(C)CC(=O)C M492092 [0,0,0,0,2,0|2,0,0]=4 474 B6R0.2 CC(C)CC(C)C D155236 [0,0,0,0,2,0|1,0,1]=4 475 B6R0.2 CC(C)CC(C)N D154510 [0,0,0,0,2,0|1,0,1]=4 476 B6R0.2 CC(C)CC(C)O M104491 [0,0,0,0,2,0|0,0,1]=3 477 B6R0.2 CC(CC(=O)O)O P347707 [0,0,0,0,2,0|2,0,0]=4 478 B6R0.2 CC(CC(=O)O)O R304188 [0,0,0,0,2,0|2,0,0]=4 479 B6R0.2 CC(CC(=O)O)O R425172 [0,0,0,0,2,0|2,0,0]=4 480 B6R0.2 CC(CC(=O)O)O S161108 [0,0,0,0,2,0|2,0,0]=4 481 B6R0.2 CC(CC(=O)O)O S194215 [0,0,0,0,2,0|2,0,0]=4 482 B6R0.2 CC(CC(=O)[O-])O B301134 [0,0,0,0,2,0|2,0,0]=4 483 B6R0.2 CC(CC(=O)[O-])O H121822 [0,0,0,0,2,0|2,0,0]=4 484 B6R0.2 CC(CC(=O)[O-])O X131756 [0,0,0,0,2,0|2,0,0]=4 485 B6R0.2 CC(CC(C)O)O R160958 [0,0,0,0,2,0|1,0,1]=4 486 B6R0.2 CC(CC(C)O)O S161001 [0,0,0,0,2,0|1,0,1]=4 487 B6R0.2 CC(CN(C)C)Cl C153815 [0,0,0,0,2,0|2,0,0]=4 488 B6R0.2 CC(CN(C)C)O B282542 [0,0,0,0,2,0|1,0,0]=3 489 B6R0.2 CC(CN(C)C)O D155704 [0,0,0,0,2,0|1,0,0]=3