0 B9R0.2 CC(=O)NCCCCCN F14796 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.2 CC(=O)OCCCCCBr D70120 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.2 CC(=O)OCCOCCCl D95763 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.2 CC(=O)OCCOCCO S10606 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.2 CC(C)NCCCCCO H11897 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.2 CC=CC=CCOC(C)=O D94527 [0,0,0,0,0,0|0,0,4]=4 6 B9R0.2 CCCCCCCB(O)O F30119 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.2 CCCCCCCC(N)=O D91840 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.2 CCCCCCNC(N)=S D97364 [0,0,0,0,0,0|2,1,0]=3 9 B9R0.2 CCCNCCCN(C)C D97633 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.2 CC\C=C/CCOC(C)=O D88345 [0,0,0,0,0,0|0,0,2]=2 11 B9R0.2 COCCCCOC(C)=O D88465 [0,0,0,0,0,0|1,0,0]=1 12 B9R0.2 NCCCCCCC(=O)O 33797 [0,0,0,0,0,0|3,0,0]=3 13 B9R0.2 NCCCCCCC(=O)O F11866 [0,0,0,0,0,0|3,0,0]=3 14 B9R0.2 O=C(O)CCCCCCBr F11868 [0,0,0,0,0,0|3,0,0]=3 15 B9R0.2 O=C(O)CCCCCCO O11656 [0,0,0,0,0,0|3,0,0]=3 16 B8R0.4 C=CCCCCCCBr 78390 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.4 C=CCCCCCCCl I11995 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.4 CCCCCCCCCl D97411 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.4 CCCCCCCCI W18672 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.4 CCCCCCCCN D91873 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.4 CCCCCCCCN D91878 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.4 CCCCCCCNC D82019 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.4 CCCCCCN=C=S D95721 [1,0,0,0,0,0|1,1,1]=4 24 B8R0.4 CCCCC\C=C\C=O D91827 [1,0,0,0,0,0|1,0,1]=3 25 B8R0.4 CCCCOCCOC A11001 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.4 CCCC[SnH4+2]CCCC D95293 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.4 CCCC[SnH4+2]CCCC D95356 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.4 CCOCCOCCBr D97193 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.4 CCOCCOCCO D72502 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.4 CC\C=C/CCOC=O D95718 [1,0,0,0,0,0|0,0,2]=3 31 B8R0.7 C#CCCCCC(=O)O 76366 [1,0,0,0,0,0|1,0,2]=4 32 B8R0.7 C=CCCCCC(=O)O I11996 [1,0,0,0,0,0|1,0,2]=4 33 B8R0.7 CC(=O)OCCCCBr F16811 [1,0,0,0,0,0|1,0,0]=2 34 B8R0.7 CC(=O)OCCCCCl H10679 [1,0,0,0,0,0|1,0,0]=2 35 B8R0.7 CC(C)CCCCCO A10851 [1,0,0,0,0,0|2,0,1]=4 36 B8R0.7 CCCCCCB(O)O 33195 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.7 CCCCCCC(=O)Cl A10863 [1,0,0,0,0,0|1,0,0]=2 38 B8R0.7 CCCCCCC(=O)[O-] D90422 [1,0,0,0,0,0|1,0,0]=2 39 B8R0.7 CCCCCCC(N)=O D93021 [1,0,0,0,0,0|1,0,0]=2 40 B8R0.7 CCCCCC[C@H](C)Br F21283 [1,0,0,0,0,0|1,0,1]=3 41 B8R0.7 CCCCCC[C@H](C)O AC1155 [1,0,0,0,0,0|0,0,2]=3 42 B8R0.7 CCCCCC[C@H](C)O D71187 [1,0,0,0,0,0|0,0,2]=3 43 B8R0.7 CCCCCC[C@H](C)O D81747 [1,0,0,0,0,0|0,0,2]=3 44 B8R0.7 CCCCCOC(=O)Cl D89273 [1,0,0,0,0,0|1,0,0]=2 45 B8R0.7 CCCCCOC(=S)[S-] D88265 [1,0,0,0,0,0|1,1,0]=3 46 B8R0.7 CCCCOCC(=O)O AC1559 [1,0,0,0,0,0|2,0,0]=3 47 B8R0.7 CCCC\C=C\C(=O)O D90864 [1,0,0,0,0,0|1,0,2]=4 48 B8R0.7 CCNCCCN(C)C 31761 [1,0,0,0,0,0|3,0,0]=4 49 B8R0.7 COCCOCC(=O)O D74540 [1,0,0,0,0,0|3,0,0]=4 50 B8R0.7 CSCCCOC(C)=O D91595 [1,0,0,0,0,0|1,0,0]=2 51 B8R0.7 NC(=O)CCCCCBr 74914 [1,0,0,0,0,0|2,0,0]=3 52 B8R0.7 NCCNCCC(=O)[O-] F16459 [1,0,0,0,0,0|3,0,0]=4 53 B8R0.7 O=C(Cl)CCCCCBr D88888 [1,0,0,0,0,0|2,0,0]=3 54 B8R0.7 O=C(O)CCCCCBr F11242 [1,0,0,0,0,0|2,0,0]=3 55 B8R0.7 O=C(O)CCCCCCl D77823 [1,0,0,0,0,0|2,0,0]=3 56 B8R0.7 O=C(O)CCCCCO S10488 [1,0,0,0,0,0|2,0,0]=3 57 B8R0.7 O=C(O)CCNCCO D94998 [1,0,0,0,0,0|3,0,0]=4 58 B8R0.7 O=C([O-])CCCCCO Y10610 [1,0,0,0,0,0|2,0,0]=3 59 B10R0.3 CC(C)=CCC[C@H](C)CCO F16553 [0,1,0,0,0,0|3,0,0]=4 60 B10R0.3 CCCC(=O)CCCC(=O)O D93029 [0,1,0,0,0,0|2,0,1]=4 61 B10R0.3 CCC[C@H](S)CCOC(C)=O D91605 [0,1,0,0,0,0|0,0,0]=1 62 B10R0.3 CCOC(=O)CCCC(C)=O 95732 [0,1,0,0,0,0|2,0,1]=4 63 B10R0.4 C=CCCCCCCC(=O)O I11998 [0,1,0,0,0,0|2,0,1]=4 64 B10R0.4 CCCCCCCCC(=O)Cl D91690 [0,1,0,0,0,0|2,0,0]=3 65 B10R0.4 CCCCCCCCC(=O)[O-] D91669 [0,1,0,0,0,0|2,0,0]=3 66 B10R0.4 CCCCCCCCC(C)=O D89897 [0,1,0,0,0,0|1,0,0]=2 67 B10R0.4 CCCCCCCOC(=O)Cl 62102 [0,1,0,0,0,0|1,0,0]=2 68 B10R0.4 NCCCCCCCC(=O)O 52148 [0,1,0,0,0,0|2,0,0]=3 69 B10R0.4 NCCOCCOCC(=O)O 20975 [0,1,0,0,0,0|3,0,0]=4 70 B10R0.4 NCCOCCOCC(=O)O F15066 [0,1,0,0,0,0|3,0,0]=4 71 B10R0.4 O=C(O)CCCCCCCBr C10414 [0,1,0,0,0,0|2,0,0]=3 72 B10R0.4 O=CCCCCCCC(=O)O D80547 [0,1,0,0,0,0|2,0,1]=4 73 B10R0.6 CCCCCC(=O)OC(C)C D89305 [0,1,0,0,0,0|1,0,2]=4 74 B10R0.22 CCCCCCCS(=O)(=O)[O-] F10019 [0,1,0,0,0,0|3,0,0]=4 75 B10R0.22 CCCCCCCS(=O)(=O)[O-] F10034 [0,1,0,0,0,0|3,0,0]=4 76 B10R0.22 CCCCCCOS(C)(=O)=O D70753 [0,1,0,0,0,0|1,0,0]=2 77 B10R0.74 CCCCCC#CC(=O)OC D70492 [0,1,0,0,0,0|1,0,1]=3 78 B10R0.74 CCCCCCCC(=O)NN 23135 [0,1,0,0,0,0|2,0,0]=3 79 B10R0.74 CCCCCCCC(=O)NO 35665 [0,1,0,0,0,0|2,0,0]=3 80 B10R0.74 CCCCCCCC(=O)NO D89270 [0,1,0,0,0,0|2,0,0]=3 81 B10R0.74 COC(=O)CCCCCCBr F11980 [0,1,0,0,0,0|2,0,0]=3 82 B10R0.74 COC(=O)CCCCCCN 67874 [0,1,0,0,0,0|2,0,0]=3 83 B10R0.75 CCCCCC[C@H](N)C(=O)O C14122 [0,1,0,0,0,0|2,0,0]=3 84 B10R0.75 CCCCCC[C@H](N)C(=O)O D86759 [0,1,0,0,0,0|2,0,0]=3 85 B10R0.75 CCCCCC[C@H](N)C(=O)O S10911 [0,1,0,0,0,0|2,0,0]=3 86 B10R0.75 CCCCCC[C@H](O)C(=O)O D81442 [0,1,0,0,0,0|2,0,0]=3 87 B10R0.75 CNCCCC[C@H](N)C(=O)O F11031 [0,1,0,0,0,0|3,0,0]=4 88 B10R0.75 O=C(O)C(=O)CCCCCCl D93207 [0,1,0,0,0,0|3,0,0]=4 89 B10R0.78 CCCC[C@H](C)CCC(=O)O D83868 [0,1,0,0,0,0|2,0,0]=3 90 B10R0.78 CCCOC(=O)CCC(C)=O 43143 [0,1,0,0,0,0|2,0,1]=4 91 B10R0.97 CC(=O)CCCCCC(=O)O W15940 [0,1,0,0,0,0|2,0,1]=4 92 B10R0.97 CC(C)CCCCCC(=O)O D93038 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.10 CCCC1CCOC(C)S1 D91574 [0,0,0,1,0,0|0,1,1]=3 94 B10R1.10 CCC[C@H]1CCCC(=O)O1 D70795 [0,0,0,1,0,0|2,0,0]=3 95 B10R1.18 CC(=O)NC1CCNCC1 50436 [0,0,0,1,0,0|2,0,0]=3 96 B10R1.18 CC(C)NC1CCCCC1 D91133 [0,0,0,1,0,0|2,0,1]=4 97 B10R1.18 NC(=O)NC1CCCCC1 AC9450 [0,0,0,1,0,0|2,0,0]=3 98 B10R1.18 O=C(O)C=C1CCCCC1 A51178 [0,0,0,1,0,0|2,0,1]=4 99 B10R1.18 O=C(O)CC1CCCCC1 F11130 [0,0,0,1,0,0|2,0,0]=3 100 B10R1.18 O=C(O)CC1CCNCC1 65126 [0,0,0,1,0,0|3,0,0]=4 101 B10R1.18 O=C(O)CC1CCOCC1 69697 [0,0,0,1,0,0|3,0,0]=4 102 B10R1.18 O=C(O)CN1CCCCC1 29815 [0,0,0,1,0,0|3,0,0]=4 103 B10R1.18 O=C(O)CN1CCCCC1 D83454 [0,0,0,1,0,0|3,0,0]=4 104 B10R1.18 O=C(O)CN1CCCCC1 D97813 [0,0,0,1,0,0|3,0,0]=4 105 B10R1.18 O=C(O)C[C@H]1CCCCO1 AC1470 [0,0,0,1,0,0|3,0,0]=4 106 B10R1.18 O=C(O)C[C@H]1CCCNC1 23614 [0,0,0,1,0,0|3,0,0]=4 107 B10R1.18 O=C(O)C[C@H]1CCCNC1 30799 [0,0,0,1,0,0|3,0,0]=4 108 B10R1.39 CCN1CCC[C@H]1C(N)=O D90520 [0,0,0,1,0,0|3,0,0]=4 109 B10R1.61 CC(=O)[C@@H]1CCCCC1=O 35255 [0,0,0,1,0,0|2,0,1]=4 110 B10R1.61 CC1NCCCC1C(=O)O C71830 [0,0,0,1,0,0|3,0,0]=4 111 B10R1.61 CN1CCCC[C@H]1C(=O)O 71306 [0,0,0,1,0,0|3,0,0]=4 112 B10R1.61 CN1CCCC[C@H]1C(=O)O W10205 [0,0,0,1,0,0|3,0,0]=4 113 B10R1.61 O=C(O)C1CCCCC1O 26766 [0,0,0,1,0,0|3,0,0]=4 114 B10R1.66 CC(=O)OC[C@H]1CCCO1 F16574 [0,0,0,1,0,0|1,0,0]=2 115 B10R1.66 O=C(Cl)CCC1CCCC1 FD10555 [0,0,0,1,0,0|2,0,0]=3 116 B10R1.66 O=C(O)CCC1CCCC1 73318 [0,0,0,1,0,0|2,0,0]=3 117 B10R1.66 O=C(O)CCN1CCCC1 71482 [0,0,0,1,0,0|3,0,0]=4 118 B10R1.66 O=C(O)COC1CCCC1 30678 [0,0,0,1,0,0|3,0,0]=4 119 B10R1.66 O=C(O)\C=C\C1CCCC1 W11636 [0,0,0,1,0,0|2,0,1]=4 120 B10R1.86 CCCN1CC[C@H]1C(=O)O P15802 [0,0,0,1,0,0|3,0,0]=4 121 B10R1.126 O=C(O)CCCCC1CC1 D84271 [0,0,0,1,0,0|2,0,0]=3 122 B10R1.348 CC(=O)N1CCCNCC1 50432 [0,0,0,1,0,0|2,0,0]=3 123 B10R1.348 O=C(O)C1CCCCCC1 O11712 [0,0,0,1,0,0|2,0,0]=3 124 B10R1.348 O=C(O)[C@H]1CCCNCC1 37184 [0,0,0,1,0,0|3,0,0]=4 125 B10R1.348 S=C(S)N1CCCCCC1 D90891 [0,0,0,1,0,0|2,1,0]=4 126 B7R0.1 C=CCCCCCBr 34943 [2,0,0,0,0,0|1,0,1]=4 127 B7R0.1 C=CCCCCNC C75624 [2,0,0,0,0,0|1,0,1]=4 128 B7R0.1 C=CCOCCCC D88441 [2,0,0,0,0,0|1,0,1]=4 129 B7R0.1 CCCCCCCBr D78084 [2,0,0,0,0,0|1,0,1]=4 130 B7R0.1 CCCCCCCI D70828 [2,0,0,0,0,0|1,0,1]=4 131 B7R0.1 CCCCCCCS D90781 [2,0,0,0,0,0|0,1,1]=4 132 B7R0.1 CCCC\C=C\C=O 39424 [2,0,0,0,0,0|0,0,2]=4 133 B7R0.1 CNCCCCNC 29857 [2,0,0,0,0,0|2,0,0]=4 134 B7R0.1 COCCOCCBr AC1298 [2,0,0,0,0,0|2,0,0]=4 135 B7R0.1 COCCOCCN F19842 [2,0,0,0,0,0|2,0,0]=4 136 B7R0.1 COCCOCCO D78002 [2,0,0,0,0,0|2,0,0]=4 137 B7R0.4 C=CCCOC(C)=O 74074 [2,0,0,0,0,0|0,0,2]=4 138 B7R0.4 CC(=O)CCCC#N D91224 [2,0,0,0,0,0|1,0,1]=4 139 B7R0.4 CC(=O)CCCCCl D89394 [2,0,0,0,0,0|1,0,0]=3 140 B7R0.4 CC(=O)OCCCCl 22019 [2,0,0,0,0,0|1,0,0]=3 141 B7R0.4 CC(=O)SCCCO D86667 [2,0,0,0,0,0|1,1,0]=4 142 B7R0.4 CCCCCC(=O)[O-] D82015 [2,0,0,0,0,0|1,0,0]=3 143 B7R0.4 CCCCCC(N)=O D89187 [2,0,0,0,0,0|1,0,0]=3 144 B7R0.4 CCCCC[C@H](C)N D90921 [2,0,0,0,0,0|1,0,1]=4 145 B7R0.4 CCCCC[C@H](C)O D83253 [2,0,0,0,0,0|0,0,2]=4 146 B7R0.4 CCCCNC(N)=O D88864 [2,0,0,0,0,0|2,0,0]=4 147 B7R0.4 CCCCOC(=S)[S-] D82014 [2,0,0,0,0,0|1,1,0]=4 148 B7R0.4 CCCCOC(C)C D93400 [2,0,0,0,0,0|1,0,1]=4 149 B7R0.4 CCCCOC(N)=O D89279 [2,0,0,0,0,0|1,0,0]=3 150 B7R0.4 CCCCSC(C)=O 79049 [2,0,0,0,0,0|0,1,0]=3 151 B7R0.4 CCC\C=C\C(C)=O F17581 [2,0,0,0,0,0|0,0,2]=4 152 B7R0.4 CNCCCC(=O)O 20515 [2,0,0,0,0,0|2,0,0]=4 153 B7R0.4 CNCCCC(=O)O AB7427 [2,0,0,0,0,0|2,0,0]=4 154 B7R0.4 NCCCCC(=O)O 76219 [2,0,0,0,0,0|2,0,0]=4 155 B7R0.4 NCCCCC(=O)O D78140 [2,0,0,0,0,0|2,0,0]=4 156 B7R0.4 O=C(Cl)CCCCBr H11319 [2,0,0,0,0,0|2,0,0]=4 157 B7R0.4 O=C(Cl)CCCCCl D89459 [2,0,0,0,0,0|2,0,0]=4 158 B7R0.4 O=C(Cl)OCCCCl D89474 [2,0,0,0,0,0|2,0,0]=4 159 B7R0.4 O=C(O)CCCCBr 76255 [2,0,0,0,0,0|2,0,0]=4 160 B7R0.4 O=C(O)CCCCCl C10667 [2,0,0,0,0,0|2,0,0]=4 161 B7R0.4 O=C([O-])CCCCO F13839 [2,0,0,0,0,0|2,0,0]=4 162 B9R0.5 CCCCC[C@@H](C)CCC T71919 [1,1,0,0,0,0|1,0,1]=4 163 B9R0.18 CCCCC(N)CCCC 81547 [1,1,0,0,0,0|1,0,1]=4 164 B9R0.18 CCCCC(O)CCCC D91684 [1,1,0,0,0,0|1,0,1]=4 165 B9R0.45 C=CCCCCCCCBr I11993 [1,1,0,0,0,0|1,0,1]=4 166 B9R0.45 C=CCCCCCCCCl N12233 [1,1,0,0,0,0|1,0,1]=4 167 B9R0.45 C=CCCCCCCCO D91757 [1,1,0,0,0,0|1,0,1]=4 168 B9R0.45 CCCCCCCCCI D91171 [1,1,0,0,0,0|1,0,1]=4 169 B9R0.45 CCCCCCCCCO D70513 [1,1,0,0,0,0|1,0,1]=4 170 B9R0.45 CCCCCCCCNC O12029 [1,1,0,0,0,0|1,0,1]=4 171 B9R0.45 CCCCCCCNCC D90566 [1,1,0,0,0,0|1,0,1]=4 172 B9R0.45 CCCCCC\C=C/CO D91736 [1,1,0,0,0,0|1,0,0]=3 173 B9R0.45 CCCCCC\C=C\C=O D91718 [1,1,0,0,0,0|1,0,0]=3 174 B9R0.45 CC\C=C/CCCCCO D91715 [1,1,0,0,0,0|2,0,0]=4 175 B9R0.45 CNCCCCCCNC F17013 [1,1,0,0,0,0|2,0,0]=4 176 B9R0.45 COCCCCCCOC D90120 [1,1,0,0,0,0|2,0,0]=4 177 B9R0.46 CCCCCCC(=O)OC D90782 [1,1,0,0,0,0|2,0,0]=4 178 B9R0.1 COC(=O)CCCC(C)=O AC8283 [1,1,0,0,0,0|1,0,1]=4 179 B9R0.4 CCCC[C@H](N)CC(=O)O 29775 [1,1,0,0,0,0|1,0,0]=3 180 B9R0.38 CCCCCCC(C)(C)O D93517 [1,1,0,0,0,0|0,0,2]=4 181 B9R0.38 CCCCCCS(=O)(=O)[O-] F10020 [1,1,0,0,0,0|2,0,0]=4 182 B9R0.38 CCCCCCS(=O)(=O)[O-] F10030 [1,1,0,0,0,0|2,0,0]=4 183 B9R0.38 CCCCCC[N+](C)(C)C D90893 [1,1,0,0,0,0|2,0,0]=4 184 B9R0.38 CCCCCC[Si](C)(C)Cl D89556 [1,1,0,0,0,0|1,1,0]=4 185 B9R0.38 CSCCCOS(C)(=O)=O C11627 [1,1,0,0,0,0|2,0,0]=4 186 B9R0.47 CCCCC[C@H](C)C(=O)O D91473 [1,1,0,0,0,0|1,0,0]=3 187 B9R0.47 CCCCC[C@H](N)C(=O)O C71385 [1,1,0,0,0,0|1,0,0]=3 188 B9R0.47 CCSCC[C@H](N)C(=O)O 30126 [1,1,0,0,0,0|2,0,0]=4 189 B9R0.47 NCCCC[C@H](N)C(=O)O 23029 [1,1,0,0,0,0|2,0,0]=4 190 B9R0.47 NCCCC[C@H](N)C(=O)O 26700 [1,1,0,0,0,0|2,0,0]=4 191 B9R0.47 NCCCC[C@H](N)C(=O)O 70041 [1,1,0,0,0,0|2,0,0]=4 192 B9R0.47 NCCCC[C@H](N)C(=O)O AC7885 [1,1,0,0,0,0|2,0,0]=4 193 B9R0.47 NCCCC[C@H](N)C(=O)O D70557 [1,1,0,0,0,0|2,0,0]=4 194 B9R0.47 NCCCC[C@H](N)C(=O)O D70613 [1,1,0,0,0,0|2,0,0]=4 195 B9R0.47 NCCCC[C@H](N)C(=O)O F11082 [1,1,0,0,0,0|2,0,0]=4 196 B9R0.47 NCCCC[C@H](N)C(=O)O FD20004 [1,1,0,0,0,0|2,0,0]=4 197 B9R0.47 NCCCC[C@H](N)C(=O)O S10365 [1,1,0,0,0,0|2,0,0]=4 198 B9R0.47 NCCCC[C@H](N)C(N)=O F10910 [1,1,0,0,0,0|2,0,0]=4 199 B9R0.48 CCOC(=O)CCC(C)=O D77713 [1,1,0,0,0,0|1,0,1]=4 200 B9R0.55 CC(=O)CCCCC(=O)O AT14509 [1,1,0,0,0,0|1,0,1]=4 201 B9R0.55 CC(=O)NCCCN(C)C AC5885 [1,1,0,0,0,0|2,0,0]=4 202 B9R0.55 CN(C)CCCCC(=O)O 29149 [1,1,0,0,0,0|2,0,0]=4 203 B9R0.55 CN(C)CCCCC(=O)O 31841 [1,1,0,0,0,0|2,0,0]=4 204 B11R0.6 CC(=O)OCC[C@H](C)OC(C)=O D70969 [0,2,0,0,0,0|1,0,1]=4 205 B11R0.2 CCCCCC[C@H](C)OC(C)=O D92937 [0,2,0,0,0,0|0,0,0]=2 206 B11R0.30 CC(=O)NCCCCCC(=O)O D83405 [0,2,0,0,0,0|1,0,1]=4 207 B11R0.30 CC(=O)OCCOCOC(C)=O C10754 [0,2,0,0,0,0|1,0,1]=4 208 B11R0.40 C=CC(=O)OCCCCCCBr D93324 [0,2,0,0,0,0|0,0,1]=3 209 B11R0.40 CCCCCCC#CC(=O)OC D91742 [0,2,0,0,0,0|1,0,0]=3 210 B11R0.40 CCCCCCCCC(=O)OC D91668 [0,2,0,0,0,0|1,0,0]=3 211 B11R0.40 CCCCCC\C=C\C(=O)OC D70493 [0,2,0,0,0,0|1,0,0]=3 212 B11R0.42 CCCCCCCC(=O)N(C)C S10478 [0,2,0,0,0,0|1,0,0]=3 213 B11R0.42 CC\C=C/CCOC(=O)C(C)C D88737 [0,2,0,0,0,0|0,0,2]=4 214 B11R0.42 CC\C=C/CCOC(=O)[C@H](C)O D91247 [0,2,0,0,0,0|0,0,2]=4 215 B11R0.46 CCCCCN(C)CCC(=O)O D81790 [0,2,0,0,0,0|2,0,0]=4 216 B11R0.46 CCCCC[C@H](C)CCC(=O)O D70230 [0,2,0,0,0,0|2,0,0]=4 217 B11R0.46 CCCCOC(=O)CCC(C)=O D78070 [0,2,0,0,0,0|1,0,1]=4 218 B11R0.148 C=CCCCCCCCC(=O)O N12000 [0,2,0,0,0,0|2,0,0]=4 219 B11R0.148 C=CCCCCCCOC(C)=O D88443 [0,2,0,0,0,0|0,0,0]=2 220 B11R0.148 CCCCCCCCCC(=O)O D70225 [0,2,0,0,0,0|2,0,0]=4 221 B11R0.148 CCCCCCCCCC(=O)[O-] F19532 [0,2,0,0,0,0|2,0,0]=4 222 B11R0.148 CCCCCCCCCC(C)=O F17694 [0,2,0,0,0,0|1,0,0]=3 223 B11R0.148 CCCCCCCCCC(N)=O D89393 [0,2,0,0,0,0|2,0,0]=4 224 B11R0.148 CCCCCCCCC[13C](=O)O D78974 [0,2,0,0,0,0|2,0,0]=4 225 B11R0.148 CCCCCCCCOC(=O)Cl D89288 [0,2,0,0,0,0|1,0,0]=3 226 B11R0.148 CCCCC\C=C\CCC(=O)O D90291 [0,2,0,0,0,0|2,0,0]=4 227 B11R0.148 CCCCOCCOCC(=O)O W16397 [0,2,0,0,0,0|1,0,0]=3 228 B11R0.148 COCCOCCOCC(=O)O D95266 [0,2,0,0,0,0|2,0,0]=4 229 B11R0.148 O=C(O)CCCCCCCCBr 54506 [0,2,0,0,0,0|2,0,0]=4 230 B11R0.148 O=C(O)CCCCCCCCO 29995 [0,2,0,0,0,0|2,0,0]=4 231 B11R0.31 CC(C)(C)CCCCCC(=O)O H10667 [0,2,0,0,0,0|2,0,0]=4 232 B11R0.4 C=COC(=O)CCCCCCC D84790 [0,2,0,0,0,0|1,0,1]=4 233 B11R0.4 CC=CC(=O)OCCCCCC D95666 [0,2,0,0,0,0|0,0,0]=2 234 B11R0.4 CCCCCCOC(=O)COC D81462 [0,2,0,0,0,0|0,0,0]=2 235 B11R0.4 CCOC(=O)CCCCCCBr F11933 [0,2,0,0,0,0|2,0,0]=4 236 B11R0.4 CCOC(=O)CCCCCCN 34353 [0,2,0,0,0,0|2,0,0]=4 237 B11R0.4 CC\C=C/CCOC(=O)CCC D70216 [0,2,0,0,0,0|0,0,2]=4 238 B11R0.142 CCCCCC[C@H](Br)C(=O)OC AC8734 [0,2,0,0,0,0|1,0,0]=3 239 B11R0.164 CCCC[C@H](CC)CCC(=O)O AC7928 [0,2,0,0,0,0|2,0,0]=4 240 B9R1.5 CN1CCCCCC1=O F20350 [1,0,0,1,0,0|2,0,0]=4 241 B9R1.5 N[C@H]1CCCCNC1=O 36347 [1,0,0,1,0,0|2,0,0]=4 242 B9R1.5 N[C@H]1CCCCNC1=O 52018 [1,0,0,1,0,0|2,0,0]=4 243 B9R1.5 N[C@H]1CCCCNC1=O A56019 [1,0,0,1,0,0|2,0,0]=4 244 B9R1.5 N[C@H]1CCCCNC1=O A56021 [1,0,0,1,0,0|2,0,0]=4 245 B9R1.5 N[C@H]1CCCCNC1=O Y10023 [1,0,0,1,0,0|2,0,0]=4 246 B9R1.8 C=COC1CCCCC1 D97843 [1,0,0,1,0,0|0,0,1]=3 247 B9R1.8 CCNC1CCOCC1 20751 [1,0,0,1,0,0|1,0,1]=4 248 B9R1.8 CCOC1CCNCC1 D95786 [1,0,0,1,0,0|1,0,1]=4 249 B9R1.8 CCO[C@H]1CCCNC1 75813 [1,0,0,1,0,0|1,0,1]=4 250 B9R1.8 CNCC1CCOCC1 28114 [1,0,0,1,0,0|1,0,1]=4 251 B9R1.8 ClCOC1CCCCC1 D89466 [1,0,0,1,0,0|1,0,1]=4 252 B9R1.8 NCCC1CCOCC1 51287 [1,0,0,1,0,0|1,0,1]=4 253 B9R1.8 O=CCC1CCOCC1 30303 [1,0,0,1,0,0|2,0,0]=4 254 B9R1.8 O=CNC1CCCCC1 D89406 [1,0,0,1,0,0|1,0,0]=3 255 B9R1.15 CC[C@@H]1NCCNC1=O 60848 [1,0,0,1,0,0|2,0,0]=4 256 B9R1.15 CC[C@H]1CCCCC1=O D97760 [1,0,0,1,0,0|1,0,0]=3 257 B9R1.15 CO[C@H]1CCCCC1=O P19682 [1,0,0,1,0,0|2,0,0]=4 258 B9R1.33 CCCN1CCCC1=O 65466 [1,0,0,1,0,0|2,0,0]=4 259 B9R1.33 O=C1OCCN1CCCl W16070 [1,0,0,1,0,0|2,0,0]=4 260 B9R1.50 O=C1CCCCCCC1 78195 [1,0,0,1,0,0|1,0,0]=3 261 B9R1.50 O=C1CCCCCCN1 35268 [1,0,0,1,0,0|1,0,0]=3 262 B9R1.50 O=C1CCCCCCO1 D94278 [1,0,0,1,0,0|0,0,0]=2 263 B9R1.83 CCCCCC[C@H]1CO1 F20386 [1,0,0,1,0,0|2,0,0]=4 264 B9R1.89 CNC1CCCCCC1 D95799 [1,0,0,1,0,0|2,0,0]=4 265 B9R1.89 O=NN1CCCCCC1 D93582 [1,0,0,1,0,0|2,0,0]=4 266 B9R1.6 CC(=O)C1CCCCC1 P10040 [1,0,0,1,0,0|0,0,0]=2 267 B9R1.6 CC(=O)C1CCNCC1 25527 [1,0,0,1,0,0|1,0,0]=3 268 B9R1.6 CC(=O)C1CCOCC1 53199 [1,0,0,1,0,0|1,0,0]=3 269 B9R1.6 CC(=O)N1CCCCC1 S12042 [1,0,0,1,0,0|1,0,0]=3 270 B9R1.6 CC(=O)N1CCNCC1 75167 [1,0,0,1,0,0|2,0,0]=4 271 B9R1.6 CC(=O)N1CCOCC1 C10101 [1,0,0,1,0,0|2,0,0]=4 272 B9R1.6 CC(=O)[C@@H]1CCCCN1 W15841 [1,0,0,1,0,0|1,0,0]=3 273 B9R1.6 C[C@H](N)C1CCCCC1 79906 [1,0,0,1,0,0|1,0,1]=4 274 B9R1.6 C[C@H](N)C1CCCCC1 79909 [1,0,0,1,0,0|1,0,1]=4 275 B9R1.6 C[C@H](N)C1CCCCC1 N12504 [1,0,0,1,0,0|1,0,1]=4 276 B9R1.6 C[C@H](O)C1CCCCC1 F11489 [1,0,0,1,0,0|0,0,2]=4 277 B9R1.6 N=C(N)C1CCCCC1 F20883 [1,0,0,1,0,0|2,0,0]=4 278 B9R1.6 NC(=O)C1CCCCC1 78531 [1,0,0,1,0,0|1,0,0]=3 279 B9R1.6 NC(=O)C1CCNCC1 39421 [1,0,0,1,0,0|2,0,0]=4 280 B9R1.6 NC(=O)C1CCOCC1 BL008091 [1,0,0,1,0,0|2,0,0]=4 281 B9R1.6 NC(=O)[C@@H]1CCCCN1 39419 [1,0,0,1,0,0|2,0,0]=4 282 B9R1.6 NC(=O)[C@H]1CCCNC1 34666 [1,0,0,1,0,0|2,0,0]=4 283 B9R1.6 NC(=O)[C@H]1CCCNC1 37192 [1,0,0,1,0,0|2,0,0]=4 284 B9R1.6 NC(=O)[C@H]1CCCNC1 AB2972 [1,0,0,1,0,0|2,0,0]=4 285 B9R1.6 O=C(Cl)C1CCOCC1 F12379 [1,0,0,1,0,0|2,0,0]=4 286 B9R1.6 O=C(Cl)N1CCCCC1 F14628 [1,0,0,1,0,0|2,0,0]=4 287 B9R1.6 O=C(O)C1CCCCC1 P17799 [1,0,0,1,0,0|1,0,0]=3 288 B9R1.6 O=C(O)C1CCNCC1 AB2970 [1,0,0,1,0,0|2,0,0]=4 289 B9R1.6 O=C(O)C1CCNCC1 O12044 [1,0,0,1,0,0|2,0,0]=4 290 B9R1.6 O=C(O)C1CCOCC1 66534 [1,0,0,1,0,0|2,0,0]=4 291 B9R1.6 O=C(O)[C@@H]1CCCCN1 24951 [1,0,0,1,0,0|2,0,0]=4 292 B9R1.6 O=C(O)[C@@H]1CCCCN1 39420 [1,0,0,1,0,0|2,0,0]=4 293 B9R1.6 O=C(O)[C@@H]1CCCCN1 65236 [1,0,0,1,0,0|2,0,0]=4 294 B9R1.6 O=C(O)[C@@H]1CCCCN1 69549 [1,0,0,1,0,0|2,0,0]=4 295 B9R1.6 O=C(O)[C@@H]1CCCCN1 69551 [1,0,0,1,0,0|2,0,0]=4 296 B9R1.6 O=C(O)[C@@H]1CCCCN1 78208 [1,0,0,1,0,0|2,0,0]=4 297 B9R1.6 O=C(O)[C@@H]1CCCCO1 29454 [1,0,0,1,0,0|2,0,0]=4 298 B9R1.6 O=C(O)[C@H]1CCCNC1 24456 [1,0,0,1,0,0|2,0,0]=4 299 B9R1.6 O=C(O)[C@H]1CCCNC1 29863 [1,0,0,1,0,0|2,0,0]=4 300 B9R1.6 O=C(O)[C@H]1CCCNC1 64551 [1,0,0,1,0,0|2,0,0]=4 301 B9R1.6 O=C(O)[C@H]1CCCNC1 64552 [1,0,0,1,0,0|2,0,0]=4 302 B9R1.6 O=C(O)[C@H]1CCCNC1 64555 [1,0,0,1,0,0|2,0,0]=4 303 B9R1.6 O=C(O)[C@H]1CCCOC1 85695 [1,0,0,1,0,0|2,0,0]=4 304 B9R1.6 O=[N+]([O-])C1CCCCC1 F17587 [1,0,0,1,0,0|2,0,0]=4 305 B9R1.7 CCCC1=CC(=O)OC1 E70333 [1,0,0,1,0,0|0,0,2]=4 306 B9R1.7 CCC[C@@H]1CNC(=O)C1 W17994 [1,0,0,1,0,0|1,0,0]=3 307 B9R1.7 CCC[C@H]1CCC(=O)O1 D90888 [1,0,0,1,0,0|1,0,0]=3 308 B9R1.13 CC(=O)NC1CCCC1 20635 [1,0,0,1,0,0|1,0,0]=3 309 B9R1.13 CC(=O)N[C@H]1CCNC1 50520 [1,0,0,1,0,0|2,0,0]=4 310 B9R1.13 CC(=O)N[C@H]1CCNC1 P16272 [1,0,0,1,0,0|2,0,0]=4 311 B9R1.13 O=C(Cl)OC1CCCC1 35687 [1,0,0,1,0,0|1,0,0]=3 312 B9R1.13 O=C(O)CC1CCCC1 70862 [1,0,0,1,0,0|1,0,0]=3 313 B9R1.13 O=C(O)CN1CCCC1 71481 [1,0,0,1,0,0|2,0,0]=4 314 B9R1.13 O=C(O)CN1CCCC1 F21166 [1,0,0,1,0,0|2,0,0]=4 315 B9R1.13 O=C(O)C[C@H]1CCCN1 22918 [1,0,0,1,0,0|2,0,0]=4 316 B9R1.13 O=C(O)C[C@H]1CCCN1 62961 [1,0,0,1,0,0|2,0,0]=4 317 B9R1.13 O=C(O)C[C@H]1CCNC1 37360 [1,0,0,1,0,0|2,0,0]=4 318 B9R1.13 O=C(O)C[C@H]1CCNC1 50101 [1,0,0,1,0,0|2,0,0]=4 319 B9R1.13 O=C(O)C[C@H]1CCNC1 65588 [1,0,0,1,0,0|2,0,0]=4 320 B9R1.13 O=C(O)C[C@H]1CCOC1 25150 [1,0,0,1,0,0|2,0,0]=4 321 B9R1.41 CC1CCCC1C(=O)O 33416 [1,0,0,1,0,0|1,0,0]=3 322 B9R1.41 CN1CCC[C@H]1C(=O)O 28869 [1,0,0,1,0,0|2,0,0]=4 323 B9R1.41 CN1CCC[C@H]1C(=O)O 32214 [1,0,0,1,0,0|2,0,0]=4 324 B9R1.41 CN1CCC[C@H]1C(=O)O 32659 [1,0,0,1,0,0|2,0,0]=4 325 B9R1.41 CN1CCC[C@H]1C(=O)O 35836 [1,0,0,1,0,0|2,0,0]=4 326 B9R1.41 CN1CCC[C@H]1C(=O)O 74862 [1,0,0,1,0,0|2,0,0]=4 327 B9R1.41 CN1CCC[C@H]1C(=O)O 93283 [1,0,0,1,0,0|2,0,0]=4 328 B9R1.41 CN1CCC[C@H]1C(N)=O D83037 [1,0,0,1,0,0|2,0,0]=4 329 B9R1.41 CN1CCC[C@H]1C(N)=O P20756 [1,0,0,1,0,0|2,0,0]=4 330 B9R1.41 NC1CCCC1C(=O)O D94461 [1,0,0,1,0,0|2,0,0]=4 331 B9R1.48 O=C1CCCCC(=O)C1 35108 [1,0,0,1,0,0|1,0,1]=4 332 B9R1.148 CC1(O)CCCCCC1 D93172 [1,0,0,1,0,0|0,0,2]=4 333 B11R1.24 CCCC[C@H]1CCCC(=O)O1 D91705 [0,1,0,1,0,0|2,0,0]=4 334 B11R1.27 CCCCC[C@H]1CCC(=O)O1 D70273 [0,1,0,1,0,0|0,0,0]=2 335 B11R1.91 O=C(O)CCC1CCCCC1 H10698 [0,1,0,1,0,0|2,0,0]=4 336 B11R1.91 O=C(O)CCC1CCNCC1 82923 [0,1,0,1,0,0|2,0,0]=4 337 B11R1.91 O=C(O)CCC1CCNCC1 82924 [0,1,0,1,0,0|2,0,0]=4 338 B11R1.91 O=C(O)CCN1CCCCC1 65244 [0,1,0,1,0,0|2,0,0]=4 339 B11R1.91 O=C(O)COC1CCCCC1 29839 [0,1,0,1,0,0|1,0,0]=3 340 B11R1.91 O=C(O)\C=C\C1CCCCC1 12218 [0,1,0,1,0,0|2,0,0]=4 341 B11R1.143 CC(=O)N1CCCCCC1=O D78073 [0,1,0,1,0,0|1,0,1]=4 342 B11R1.742 O=C(O)CC1CCCCCC1 BL003152 [0,1,0,1,0,0|2,0,0]=4 343 B11R1.509 CS(=O)(=O)OC1CCCCC1 D95651 [0,1,0,1,0,0|1,0,0]=3 344 B11R1.509 CS(=O)(=O)OC1CCOCC1 AB7771 [0,1,0,1,0,0|2,0,0]=4 345 B11R1.20 CC(=O)NC1CCC(=O)CC1 55001 [0,1,0,1,0,0|1,0,1]=4 346 B11R1.20 CC(=O)N[C@H]1CC[C@H](O)CC1 D76040 [0,1,0,1,0,0|1,0,0]=3 347 B11R1.20 CC(=O)OC1CCC(=O)CC1 F31026 [0,1,0,1,0,0|0,0,1]=3 348 B11R1.25 C=CC(=O)OC[C@H]1CCCO1 H12061 [0,1,0,1,0,0|1,0,1]=4 349 B11R1.25 COC(=O)CNC1CCCC1 36181 [0,1,0,1,0,0|2,0,0]=4 350 B11R1.25 COC(=O)\C=C\C1CCCC1 W11685 [0,1,0,1,0,0|1,0,1]=4 351 B11R1.40 COC(=O)CC1CCCCC1 F14170 [0,1,0,1,0,0|1,0,0]=3 352 B11R1.40 COC(=O)CC1CCNCC1 69553 [0,1,0,1,0,0|2,0,0]=4 353 B11R1.40 COC(=O)CC1CCNCC1 69554 [0,1,0,1,0,0|2,0,0]=4 354 B11R1.40 COC(=O)CC1CCOCC1 20899 [0,1,0,1,0,0|2,0,0]=4 355 B11R1.40 COC(=O)C[C@H]1CCCNC1 22934 [0,1,0,1,0,0|2,0,0]=4 356 B11R1.40 NCC(=O)NC1CCCCC1 AB1057 [0,1,0,1,0,0|1,0,0]=3 357 B11R1.40 O=C(CCl)NC1CCCCC1 A10306 [0,1,0,1,0,0|1,0,0]=3 358 B11R1.40 O=C(CCl)OC1CCCCC1 71088 [0,1,0,1,0,0|0,0,0]=2 359 B11R1.222 COC(=O)[C@@H]1CCCCN1C D95653 [0,1,0,1,0,0|2,0,0]=4 360 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1O D83889 [0,1,0,1,0,0|2,0,0]=4 361 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O 59429 [0,1,0,1,0,0|2,0,0]=4 362 B11R1.36 CC(=O)N(C)C1CCNCC1 AB7609 [0,1,0,1,0,0|2,0,0]=4 363 B11R1.36 CC(=O)N(C)[C@H]1CCCNC1 P16282 [0,1,0,1,0,0|2,0,0]=4 364 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 23749 [0,1,0,1,0,0|2,0,0]=4 365 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 59682 [0,1,0,1,0,0|2,0,0]=4 366 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 59684 [0,1,0,1,0,0|2,0,0]=4 367 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 F14565 [0,1,0,1,0,0|2,0,0]=4 368 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 F14573 [0,1,0,1,0,0|2,0,0]=4 369 B11R1.36 O=C(O)C(=O)C1CCCCC1 P10174 [0,1,0,1,0,0|2,0,0]=4 370 B11R1.36 O=C(O)[C@@H](O)C1CCCCC1 A50840 [0,1,0,1,0,0|2,0,0]=4 371 B11R1.737 NC(=O)C1(N)CCCCCC1 AB10024 [0,1,0,1,0,0|2,0,0]=4 372 B11R1.346 CC(=O)OCC(=O)N1CCC1 D84388 [0,1,0,1,0,0|1,0,1]=4 373 B11R2.678 O=C1C[C@@H]2CCC[C@H](C1)N2 30420 [0,0,0,2,0,0|2,0,0]=4 374 B11R2.1 O=C1CC[C@H]2CNCCN12 25832 [0,0,0,2,0,0|2,0,0]=4 375 B11R2.1 O=C1OC[C@H]2CNCCN12 62154 [0,0,0,2,0,0|2,0,0]=4 376 B11R2.1 O=C1OC[C@H]2CNCCN12 62158 [0,0,0,2,0,0|2,0,0]=4 377 B11R2.359 O=C1CC2CCC(CN1)N2 C90383 [0,0,0,2,0,0|2,0,0]=4 378 B11R2.845 O=C(O)C1CC2CCC1C2 C10102 [0,0,0,2,0,0|2,0,0]=4 379 B11R2.432 CN1[C@H]2CC[C@@H]1CC(=O)C2 F10926 [0,0,0,2,0,0|2,0,0]=4