0 B9R0.53 CC(C)CC(=O)CC(C)C D111077 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.53 CC(C)CC(=O)CC(C)C D111078 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.53 CC(C)CC(=O)CC(C)C D616294 [0,0,0,0,0,0|0,0,2]=2 3 B9R0.53 CC(C)CC(C)CC(=O)C D301469 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.53 CC(C)CC(CC(=O)O)N D404546 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.53 CC(C)CC(CC(=O)O)N H117054 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.53 CC(C)CC(CC(C)C)O D155712 [0,0,0,0,0,0|0,0,0]=0 7 B9R0.53 CC(C)NC(=S)NC(C)C D133102 [0,0,0,0,0,0|2,1,1]=4 8 B9R0.53 CC(C)OS(=O)OC(C)C D137242 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.53 CN(C)CC(CN(C)C)O B350889 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.5 CCCC(=O)CC(C)C M158863 [1,0,0,0,0,0|0,0,2]=3 11 B8R0.5 CCCC(=O)OC(C)C I157502 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.5 CCCC(C)CC(=C)C D155264 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.5 CCCC(C)CC(C)C D155226 [1,0,0,0,0,0|1,0,0]=2 14 B8R0.5 CCCC(C)CC(C)C D414618 [1,0,0,0,0,0|1,0,0]=2 15 B8R0.5 CCOC(=O)CC(C)C E108583 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.5 CCOC(=O)CC(C)C E108585 [1,0,0,0,0,0|1,0,2]=4 17 B8R0.28 CC(C)CCCC(=C)C D155274 [1,0,0,0,0,0|0,0,2]=3 18 B8R0.28 CC(C)CCCC(=O)C M158865 [1,0,0,0,0,0|1,0,1]=3 19 B8R0.28 CC(C)CCCC(=O)O M158389 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.28 CC(C)CCCC(C)N D299499 [1,0,0,0,0,0|1,0,0]=2 21 B8R0.28 CC(C)CCCC(C)N D424637 [1,0,0,0,0,0|1,0,0]=2 22 B8R0.28 CC(C)CCCC(C)O M157902 [1,0,0,0,0,0|1,0,0]=2 23 B8R0.28 CC(C)CCOC(=O)C I112107 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.28 CC(C)CCOC(=O)C I112108 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.28 CC(C)CCOC(=O)C I112110 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.28 CC(C)CCOC(=O)C T119705 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.28 CC(C)CNCC(C)C D108052 [1,0,0,0,0,0|1,0,0]=2 28 B8R0.28 CC(C)CNCC(C)C D154696 [1,0,0,0,0,0|1,0,0]=2 29 B8R0.28 CC(C)COCC(C)C D155508 [1,0,0,0,0,0|1,0,0]=2 30 B8R0.28 CC(C)N=C=NC(C)C D106162 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.28 CC(C)N=C=NC(C)C N420184 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.28 CC(C)SSSC(C)C D351105 [1,0,0,0,0,0|3,0,0]=4 33 B8R0.28 CC(CNCC(C)O)O D106370 [1,0,0,0,0,0|3,0,0]=4 34 B8R0.28 CN(C)CCCN(C)C T106825 [1,0,0,0,0,0|2,0,0]=3 35 B10R0.70 CC(C)CN(CC(C)C)C=O N588460 [0,1,0,0,0,0|1,0,1]=3 36 B10R0.70 CC(C)NC(=NC(C)C)OC O341192 [0,1,0,0,0,0|2,0,1]=4 37 B10R0.165 CC(C)(CN(C)C)CN(C)C N159370 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.54 CC1COC(O1)CC(C)C I157438 [0,0,0,1,0,0|1,0,0]=2 39 B10R1.272 B1(OC(C(O1)(C)C)(C)C)O T588418 [0,0,0,1,0,0|3,0,0]=4 40 B10R1.329 CC1CC(=O)CC(C1)(C)C T161473 [0,0,0,1,0,0|0,0,2]=3 41 B10R1.329 CC1CC(CC(C1)(C)C)O C153390 [0,0,0,1,0,0|0,0,0]=1 42 B10R1.329 CC1CC(CC(C1)(C)C)O T124737 [0,0,0,1,0,0|0,0,0]=1 43 B10R1.329 CC1CC(CC(C1)(C)C)O T131026 [0,0,0,1,0,0|0,0,0]=1 44 B8R0.23 CC(C)C(=O)OC(C)C I157500 [0,0,0,0,1,0|1,0,2]=4 45 B8R0.23 CC(C)CC(=O)C(C)C D154365 [0,0,0,0,1,0|0,0,2]=3 46 B8R0.23 CC(C)CC(C(=O)O)O L421425 [0,0,0,0,1,0|2,0,1]=4 47 B8R0.23 CC(C)CC(C(=O)O)O R182597 [0,0,0,0,1,0|2,0,1]=4 48 B8R0.23 CC(C)CC(C(=O)O)O S161033 [0,0,0,0,1,0|2,0,1]=4 49 B8R0.23 CC(C)CC(C(=O)O)O S161215 [0,0,0,0,1,0|2,0,1]=4 50 B8R0.23 CC(CN(C)C)N(C)C N159373 [0,0,0,0,1,0|3,0,0]=4 51 B10R0.96 CC(C)CC(=O)OCC(C)C I157524 [0,0,0,0,0,1|0,0,2]=3 52 B7R0.2 CC(C)CC(C#C)O M157950 [2,0,0,0,0,0|0,0,2]=4 53 B7R0.2 CC(C)CC(CO)N L117136 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.2 CC(C)CC(CO)N S133878 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.2 CCC(=O)CC(C)C E156458 [2,0,0,0,0,0|0,0,2]=4 56 B7R0.2 CCC(C)CC(C)C D155187 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.2 CCC(C)CC(C)N D135535 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.2 CN(C)CC(CO)O D135042 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.4 CC(C)COCCO E156429 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.4 CC(C)CSCCO I157607 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.4 CC(C)NCCCO I157484 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.4 CC(C)NCCOC N158963 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.4 CC(C)OCCCN A133357 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.4 CC(CCCCO)O H474422 [2,0,0,0,0,0|2,0,0]=4 65 B7R0.4 CCCCCC(=C)C M158504 [2,0,0,0,0,0|0,0,2]=4 66 B7R0.4 CCCCCC(=O)C H103803 [2,0,0,0,0,0|1,0,1]=4 67 B7R0.4 CCCCCC(=O)C H103827 [2,0,0,0,0,0|1,0,1]=4 68 B7R0.4 CCCCCC(C)C M113649 [2,0,0,0,0,0|0,0,0]=2 69 B7R0.4 CCCCCC(C)C M406726 [2,0,0,0,0,0|0,0,0]=2 70 B7R0.4 CCCCCC(C)N A166657 [2,0,0,0,0,0|1,0,0]=3 71 B7R0.4 CCCCCC(C)N A421028 [2,0,0,0,0,0|1,0,0]=3 72 B7R0.4 CCCCCC(C)N S474322 [2,0,0,0,0,0|1,0,0]=3 73 B7R0.4 CCCCCC(C)O H100747 [2,0,0,0,0,0|1,0,0]=3 74 B7R0.4 CCCCCC(C)O I137289 [2,0,0,0,0,0|1,0,0]=3 75 B7R0.4 CCCOCC(C)O P160113 [2,0,0,0,0,0|2,0,0]=4 76 B7R0.4 CCNCCN(C)C I166658 [2,0,0,0,0,0|2,0,0]=4 77 B7R0.4 CN(C)CCCCN B301211 [2,0,0,0,0,0|2,0,0]=4 78 B7R0.4 CNCCCN(C)C I170434 [2,0,0,0,0,0|2,0,0]=4 79 B7R0.7 CCCC(=O)CCC H103840 [2,0,0,0,0,0|0,0,2]=4 80 B7R0.7 CCCC(=O)CCC H103841 [2,0,0,0,0,0|0,0,2]=4 81 B7R0.7 CCCC(C)CCC M113651 [2,0,0,0,0,0|1,0,0]=3 82 B7R0.7 CCCC(CCC)N H156930 [2,0,0,0,0,0|1,0,0]=3 83 B7R0.7 CCCC(CCC)O H156873 [2,0,0,0,0,0|0,0,0]=2 84 B7R0.7 CCCC(CCO)S M102905 [2,0,0,0,0,0|1,1,0]=4 85 B7R0.7 CCCN(C)CCC I169711 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.7 COCC(COC)O D194254 [2,0,0,0,0,0|2,0,0]=4 87 B9R0.4 CCCOC(=O)CC(C)C D303979 [1,1,0,0,0,0|0,0,2]=4 88 B9R0.34 CCCC(C)CC(C)CC D155216 [1,1,0,0,0,0|1,0,0]=3 89 B9R0.44 CC(CCO)CC(C)(C)C T162750 [1,1,0,0,0,0|2,0,0]=4 90 B9R0.1 CCC(C)CCCC(C)C D154774 [1,1,0,0,0,0|0,0,0]=2 91 B9R0.7 CC(C)COC(=O)C(C)C I105925 [1,1,0,0,0,0|1,0,1]=4 92 B9R0.7 CC(CCN(C)C)N(C)C N159375 [1,1,0,0,0,0|2,0,0]=4 93 B9R0.56 CC(C)CCCC(C)(C)O D117531 [1,1,0,0,0,0|0,0,0]=2 94 B11R0.107 CCC(C)COC(=O)CC(C)C M404751 [0,1,0,0,0,1|0,0,2]=4 95 B11R0.359 CC(C)(C)CC(=C)CC(C)(C)C D167227 [0,2,0,0,0,0|1,0,1]=4 96 B11R0.359 CC(CC(C)(C)C)CC(C)(C)C P160282 [0,2,0,0,0,0|1,0,0]=3 97 B9R1.34 C1C(CC(CC1O)O)O A151632 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.34 C1C(CC(CC1O)O)O C153243 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.34 CC1CC(CC(=O)C1)C D138533 [1,0,0,1,0,0|0,0,2]=4 100 B9R1.34 CC1CC(CC(C1)C)C T161701 [1,0,0,1,0,0|1,0,0]=3 101 B9R1.34 CC1CC(CC(C1)O)C D155901 [1,0,0,1,0,0|0,0,0]=2 102 B9R1.66 CC1(CC(CCO1)N)C A482079 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.66 CC1(CCCC(=O)C1)C D138628 [1,0,0,1,0,0|0,0,2]=4 104 B9R1.69 CC1CCC(C(=O)C1)C D154367 [0,0,0,1,1,0|0,0,2]=4 105 B9R1.69 CC1CCC(C(C1)C)C T161696 [0,0,0,1,1,0|1,0,0]=3 106 B9R1.69 CC1CCC(CC1C)O D155902 [0,0,0,1,1,0|2,0,0]=4 107 B11R1.166 CC1CCC(C(=O)C1)C(C)C M134785 [0,1,0,1,0,0|0,0,2]=4 108 B11R1.166 CC1CCC(C(=O)C1)C(C)C M158010 [0,1,0,1,0,0|0,0,2]=4 109 B11R1.166 CC1CCC(C(=O)C1)C(C)C M420453 [0,1,0,1,0,0|0,0,2]=4 110 B11R1.166 CC1CCC(C(C1)Cl)C(C)C M157917 [0,1,0,1,0,0|1,0,0]=3 111 B11R1.166 CC1CCC(C(C1)O)C(=C)C I157505 [0,1,0,1,0,0|0,0,2]=4 112 B11R1.166 CC1CCC(C(C1)O)C(C)C D426737 [0,1,0,1,0,0|0,0,0]=2 113 B11R1.166 CC1CCC(C(C1)O)C(C)C I300611 [0,1,0,1,0,0|0,0,0]=2 114 B11R1.166 CC1CCC(C(C1)O)C(C)C M105138 [0,1,0,1,0,0|0,0,0]=2 115 B11R1.166 CC1CCC(C(C1)O)C(C)C M105139 [0,1,0,1,0,0|0,0,0]=2 116 B11R1.166 CC1CCC(C(C1)O)C(C)C M105270 [0,1,0,1,0,0|0,0,0]=2 117 B11R1.166 CC1CCC(C(C1)O)C(C)C M107058 [0,1,0,1,0,0|0,0,0]=2 118 B11R1.166 CC1CCC(C(C1)O)C(C)C M107059 [0,1,0,1,0,0|0,0,0]=2 119 B11R1.166 CC1CCC(C(C1)O)C(C)C M107060 [0,1,0,1,0,0|0,0,0]=2 120 B11R1.166 CC1CCC(C(C1)O)C(C)C M107061 [0,1,0,1,0,0|0,0,0]=2 121 B11R1.166 CC1CCC(C(C1)O)C(C)C N158923 [0,1,0,1,0,0|0,0,0]=2 122 B11R1.166 CC1CCC(C(C1)O)C(C)C R422655 [0,1,0,1,0,0|0,0,0]=2 123 B11R1.1362 CC1(CC(=O)CC(C1)(C)C)C T138228 [0,1,0,1,0,0|0,0,2]=4 124 B11R1.1362 CC1(CC(=O)CC(N1)(C)C)C T161548 [0,1,0,1,0,0|0,0,2]=4 125 B11R1.1362 CC1(CC(=O)CC(N1)(C)C)C T426135 [0,1,0,1,0,0|0,0,2]=4 126 B11R1.1362 CC1(CC(=O)CC(N1)(C)C)C T472412 [0,1,0,1,0,0|0,0,2]=4 127 B11R1.1362 CC1(CC(CC(N1)(C)C)N)C A151605 [0,1,0,1,0,0|1,0,0]=3 128 B11R1.1362 CC1(CC(CC(N1)(C)C)O)C H156928 [0,1,0,1,0,0|0,0,0]=2 129 B11R1.80 CC1C(=NC(S1)CC(C)C)C D102931 [0,1,0,1,0,0|2,0,0]=4 130 B11R1.157 CC1CCOC(C1)C=C(C)C M158548 [0,1,0,1,0,0|0,0,2]=4 131 B7R0.5 CC(C)C(CCO)N A348373 [1,0,0,0,1,0|2,0,0]=4 132 B7R0.5 CCCC(C)C(C)C D155209 [1,0,0,0,1,0|1,0,0]=3 133 B7R0.6 CC(C)CC=C(C)C D155272 [1,0,0,0,1,0|0,0,2]=4 134 B7R0.6 CC(C)CCC(=C)C D155278 [1,0,0,0,1,0|0,0,2]=4 135 B7R0.6 CC(C)CCC(=O)C M106666 [1,0,0,0,1,0|1,0,1]=4 136 B7R0.6 CC(C)CCC(C)C D155219 [1,0,0,0,1,0|0,0,0]=2 137 B7R0.6 CC(C)CCC(C)N W299301 [1,0,0,0,1,0|1,0,0]=3 138 B7R0.6 CC(C)CCC(C)O M157779 [1,0,0,0,1,0|1,0,0]=3 139 B7R0.6 CC(C)OCC(C)O I404594 [1,0,0,0,1,0|2,0,0]=4 140 B7R0.6 CC(C)SSC(C)C D154913 [1,0,0,0,1,0|2,0,0]=4 141 B7R0.6 CC(CCC(C)O)O H157400 [1,0,0,0,1,0|2,0,0]=4 142 B7R0.6 CC(CCC(C)O)O R160953 [1,0,0,0,1,0|2,0,0]=4 143 B7R0.6 CC(CCC(C)O)O S133391 [1,0,0,0,1,0|2,0,0]=4 144 B7R0.6 CN(C)CCN(C)C D124689 [1,0,0,0,1,0|2,0,0]=4 145 B7R0.6 CN(C)CCN(C)C D154832 [1,0,0,0,1,0|2,0,0]=4 146 B7R0.6 CN(C)CCN(C)C D155707 [1,0,0,0,1,0|2,0,0]=4 147 B7R0.6 CN(C)CCN(C)C N274275 [1,0,0,0,1,0|2,0,0]=4 148 B7R0.6 CN(C)CCN(C)C T105496 [1,0,0,0,1,0|2,0,0]=4 149 B7R0.6 CN(C)CCN(C)C T105497 [1,0,0,0,1,0|2,0,0]=4 150 B7R0.6 CN(C)CCN(C)C T105498 [1,0,0,0,1,0|2,0,0]=4 151 B7R0.6 CN(C)CCN(C)C T140800 [1,0,0,0,1,0|2,0,0]=4 152 B7R0.6 CP(C)CCP(C)C B115375 [1,0,0,0,1,0|2,0,0]=4 153 B7R0.16 CC(C)C(=O)C(C)C D111802 [0,0,0,0,2,0|0,0,2]=4 154 B7R0.16 CC(C)C(C(C)C)O D154153 [0,0,0,0,2,0|0,0,0]=2 155 B7R0.16 CC(C)C(C)C(C)C T161705 [0,0,0,0,2,0|1,0,0]=3 156 B7R0.16 CC(C)N(C)C(C)C I165554 [0,0,0,0,2,0|2,0,0]=4 157 B7R0.16 CC(C)P(C(C)C)Cl C115613 [0,0,0,0,2,0|2,0,0]=4 158 B7R0.16 CC(C)P(C(C)C)Cl C598444 [0,0,0,0,2,0|2,0,0]=4 159 B7R0.16 CC(C)[Si](C(C)C)Cl C153458 [0,0,0,0,2,0|1,1,0]=4 160 B9R0.48 CCCC(=O)OCC(C)C I157497 [1,0,0,0,0,1|0,0,2]=4 161 B9R0.55 CC(C)CSSCC(C)C D154906 [1,0,0,0,0,1|1,0,0]=3 162 B9R0.55 CC(C)NCCNC(C)C N136313 [1,0,0,0,0,1|1,0,0]=3 163 B9R0.55 CN(C)CCCCN(C)C N159138 [1,0,0,0,0,1|2,0,0]=4 164 B11R0.6 CC(C)CCOC(=O)CC(C)C I102633 [0,0,0,0,0,2|0,0,2]=4