0 B9R0.2 CC(=O)NCCCCCN F14796 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.2 CC(=O)OCCCCCBr D70120 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.2 CC(C)NCCCCCO H11897 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.2 CCCCCCCB(O)O F30119 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.2 CCCCCCCC(N)=O D91840 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.2 CCCCCCNC(N)=S D97364 [0,0,0,0,0,0|2,1,1]=4 6 B9R0.2 CCCNCCCN(C)C D97633 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.2 COCCCCOC(C)=O D88465 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.2 NCCCCCCC(=O)O 33797 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.2 NCCCCCCC(=O)O F11866 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.2 O=C(O)CCCCCCBr F11868 [0,0,0,0,0,0|2,0,1]=3 11 B9R0.2 O=C(O)CCCCCCO O11656 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.4 BrCCCCCCCBr H11758 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.4 C#CCCCCCCO 85580 [1,0,0,0,0,0|0,0,2]=3 14 B8R0.4 C=CCCCCCCBr 78390 [1,0,0,0,0,0|1,0,2]=4 15 B8R0.4 C=CCCCCCCCl I11995 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.4 CCCCCCCCCl D97411 [1,0,0,0,0,0|1,0,0]=2 17 B8R0.4 CCCCCCCCI W18672 [1,0,0,0,0,0|1,0,0]=2 18 B8R0.4 CCCCCCCCN D91873 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.4 CCCCCCCCN D91878 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.4 CCCCCCCNC D82019 [1,0,0,0,0,0|1,0,0]=2 21 B8R0.4 CCCCCCN=C=S D95721 [1,0,0,0,0,0|1,1,1]=4 22 B8R0.4 CCCCC\C=C\CO D91843 [1,0,0,0,0,0|0,0,2]=3 23 B8R0.4 CCCCOCCC#N AC1754 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.4 CCCCOCCOC A11001 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.4 CCCC[SnH4+2]CCCC D95293 [1,0,0,0,0,0|1,0,0]=2 26 B8R0.4 CCCC[SnH4+2]CCCC D95356 [1,0,0,0,0,0|1,0,0]=2 27 B8R0.4 CCCSSSCCC D95313 [1,0,0,0,0,0|3,0,0]=4 28 B8R0.4 CCOCCOCCBr D97193 [1,0,0,0,0,0|3,0,0]=4 29 B8R0.4 CCOCCOCCO D72502 [1,0,0,0,0,0|2,0,0]=3 30 B8R0.4 COCCNCCOC F11888 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.4 COCCOCCCBr S10711 [1,0,0,0,0,0|3,0,0]=4 32 B8R0.4 COCCOCCCN A10954 [1,0,0,0,0,0|3,0,0]=4 33 B8R0.4 COCCOCCOC D80970 [1,0,0,0,0,0|3,0,0]=4 34 B8R0.4 NCCCCCCCN O11823 [1,0,0,0,0,0|2,0,0]=3 35 B8R0.4 NCCCOCCCN T70571 [1,0,0,0,0,0|3,0,0]=4 36 B8R0.4 OCCCCCCCBr 34162 [1,0,0,0,0,0|1,0,0]=2 37 B8R0.4 OCCCCCCCCl D97219 [1,0,0,0,0,0|1,0,0]=2 38 B8R0.4 OCCCCCCCO H10510 [1,0,0,0,0,0|1,0,0]=2 39 B8R0.4 OCCCNCCCO O10901 [1,0,0,0,0,0|2,0,0]=3 40 B8R0.7 CC(C)CCCCCO A10851 [1,0,0,0,0,0|2,0,0]=3 41 B8R0.7 CC(C)NCCCCO F10470 [1,0,0,0,0,0|3,0,0]=4 42 B8R0.7 CCCCCCB(O)O 33195 [1,0,0,0,0,0|2,0,0]=3 43 B8R0.7 CCCCCCC(=O)Cl A10863 [1,0,0,0,0,0|1,0,2]=4 44 B8R0.7 CCCCCCC(=O)[O-] D90422 [1,0,0,0,0,0|1,0,2]=4 45 B8R0.7 CCCCCCC(N)=O D93021 [1,0,0,0,0,0|1,0,2]=4 46 B8R0.7 CCCCCC[C@H](C)Br F21283 [1,0,0,0,0,0|1,0,0]=2 47 B8R0.7 CCCCCC[C@H](C)O AC1155 [1,0,0,0,0,0|0,0,0]=1 48 B8R0.7 CCCCCC[C@H](C)O D71187 [1,0,0,0,0,0|0,0,0]=1 49 B8R0.7 CCCCCC[C@H](C)O D81747 [1,0,0,0,0,0|0,0,0]=1 50 B8R0.7 CCCCOCC(=O)O AC1559 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.7 CCNCCCN(C)C 31761 [1,0,0,0,0,0|3,0,0]=4 52 B8R0.7 O=C(O)CCCCCBr F11242 [1,0,0,0,0,0|2,0,1]=4 53 B8R0.7 O=C(O)CCCCCCl D77823 [1,0,0,0,0,0|2,0,1]=4 54 B8R0.7 O=C(O)CCCCCO S10488 [1,0,0,0,0,0|2,0,1]=4 55 B10R0.3 CC(C)CCC[C@H](C)CCBr AB6389 [0,1,0,0,0,0|2,0,0]=3 56 B10R0.3 CC(C)CCC[C@H](C)CCN AB7060 [0,1,0,0,0,0|2,0,0]=3 57 B10R0.3 CCCC(=O)CCCC(=O)O D93029 [0,1,0,0,0,0|1,0,2]=4 58 B10R0.3 CCC[C@H](S)CCOC(C)=O D91605 [0,1,0,0,0,0|1,0,2]=4 59 B10R0.4 C=CCCCCCCC(=O)O I11998 [0,1,0,0,0,0|1,0,2]=4 60 B10R0.4 CCCCCCCCB(O)O 33153 [0,1,0,0,0,0|2,0,0]=3 61 B10R0.4 CCCCCCCCC(=O)Cl D91690 [0,1,0,0,0,0|1,0,2]=4 62 B10R0.4 CCCCCCCCC(=O)[O-] D91669 [0,1,0,0,0,0|1,0,2]=4 63 B10R0.4 CCCCCCCCC(C)=O D89897 [0,1,0,0,0,0|0,0,2]=3 64 B10R0.4 CCCCCCCOC(=O)Cl 62102 [0,1,0,0,0,0|1,0,2]=4 65 B10R0.4 NCCCCCCCC(=O)O 52148 [0,1,0,0,0,0|1,0,1]=3 66 B10R0.4 O=C(O)CCCCCCCBr C10414 [0,1,0,0,0,0|1,0,1]=3 67 B10R0.4 O=CCCCCCCC(=O)O D80547 [0,1,0,0,0,0|1,0,2]=4 68 B10R0.6 CCCCCC(=O)OC(C)C D89305 [0,1,0,0,0,0|2,0,1]=4 69 B10R0.22 CCCCCCCS(=O)(=O)[O-] F10019 [0,1,0,0,0,0|2,0,1]=4 70 B10R0.22 CCCCCCCS(=O)(=O)[O-] F10034 [0,1,0,0,0,0|2,0,1]=4 71 B10R0.22 CCCCCCOS(C)(=O)=O D70753 [0,1,0,0,0,0|2,0,1]=4 72 B10R0.74 CCCCCCCC(=O)NN 23135 [0,1,0,0,0,0|1,0,2]=4 73 B10R0.74 CCCCCCCC(=O)NO 35665 [0,1,0,0,0,0|1,0,1]=3 74 B10R0.74 CCCCCCCC(=O)NO D89270 [0,1,0,0,0,0|1,0,1]=3 75 B10R0.74 COC(=O)CCCCCCBr F11980 [0,1,0,0,0,0|1,0,2]=4 76 B10R0.74 COC(=O)CCCCCCN 67874 [0,1,0,0,0,0|1,0,2]=4 77 B10R0.75 CCCCCC[C@H](N)C(=O)O C14122 [0,1,0,0,0,0|1,0,1]=3 78 B10R0.75 CCCCCC[C@H](N)C(=O)O D86759 [0,1,0,0,0,0|1,0,1]=3 79 B10R0.75 CCCCCC[C@H](N)C(=O)O S10911 [0,1,0,0,0,0|1,0,1]=3 80 B10R0.75 CCCCCC[C@H](O)C(=O)O D81442 [0,1,0,0,0,0|1,0,1]=3 81 B10R0.75 CNCCCC[C@H](N)C(=O)O F11031 [0,1,0,0,0,0|2,0,1]=4 82 B10R0.78 CCCCC(=O)OCC(C)C D95777 [0,1,0,0,0,0|2,0,1]=4 83 B10R0.78 CCCC[C@H](C)CCC(=O)O D83868 [0,1,0,0,0,0|1,0,1]=3 84 B10R0.97 CC(=O)CCCCCC(=O)O W15940 [0,1,0,0,0,0|1,0,2]=4 85 B10R0.97 CC(C)CCCCCC(=O)O D93038 [0,1,0,0,0,0|1,0,1]=3 86 B10R1.10 CCCC1CCOC(C)S1 D91574 [0,0,0,1,0,0|1,1,0]=3 87 B10R1.10 CCC[C@H]1CCCC(=O)O1 D70795 [0,0,0,1,0,0|1,0,1]=3 88 B10R1.18 CC(C)CN1CCNCC1 28453 [0,0,0,1,0,0|3,0,0]=4 89 B10R1.18 CC(C)NC1CCCCC1 D91133 [0,0,0,1,0,0|2,0,0]=3 90 B10R1.18 CC(C)NC1CCNCC1 20967 [0,0,0,1,0,0|3,0,0]=4 91 B10R1.18 CN(C)CC1CCNCC1 F20038 [0,0,0,1,0,0|3,0,0]=4 92 B10R1.18 C[C@H](Cl)CN1CCCCC1 O10264 [0,0,0,1,0,0|2,0,0]=3 93 B10R1.18 O=C(O)CC1CCCCC1 F11130 [0,0,0,1,0,0|1,0,1]=3 94 B10R1.18 O=C(O)CC1CCNCC1 65126 [0,0,0,1,0,0|2,0,1]=4 95 B10R1.18 O=C(O)CC1CCOCC1 69697 [0,0,0,1,0,0|2,0,1]=4 96 B10R1.18 O=C(O)CN1CCCCC1 29815 [0,0,0,1,0,0|2,0,1]=4 97 B10R1.18 O=C(O)CN1CCCCC1 D83454 [0,0,0,1,0,0|2,0,1]=4 98 B10R1.18 O=C(O)CN1CCCCC1 D97813 [0,0,0,1,0,0|2,0,1]=4 99 B10R1.18 O=C(O)C[C@H]1CCCCO1 AC1470 [0,0,0,1,0,0|2,0,1]=4 100 B10R1.18 O=C(O)C[C@H]1CCCNC1 23614 [0,0,0,1,0,0|2,0,1]=4 101 B10R1.18 O=C(O)C[C@H]1CCCNC1 30799 [0,0,0,1,0,0|2,0,1]=4 102 B10R1.61 CC1NCCCC1C(=O)O C71830 [0,0,0,1,0,0|2,0,1]=4 103 B10R1.61 CN(C)C1CCCCC1O F14640 [0,0,0,1,0,0|3,0,0]=4 104 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N C76115 [0,0,0,1,0,0|3,0,0]=4 105 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1O AT22769 [0,0,0,1,0,0|3,0,0]=4 106 B10R1.61 CN1CCCC[C@H]1C(=O)O 71306 [0,0,0,1,0,0|2,0,1]=4 107 B10R1.61 CN1CCCC[C@H]1C(=O)O W10205 [0,0,0,1,0,0|2,0,1]=4 108 B10R1.61 O=C(O)C1CCCCC1O 26766 [0,0,0,1,0,0|2,0,1]=4 109 B10R1.66 O=C(Cl)CCC1CCCC1 FD10555 [0,0,0,1,0,0|1,0,2]=4 110 B10R1.66 O=C(O)CCC1CCCC1 73318 [0,0,0,1,0,0|1,0,1]=3 111 B10R1.66 O=C(O)CCN1CCCC1 71482 [0,0,0,1,0,0|2,0,1]=4 112 B10R1.66 O=C(O)COC1CCCC1 30678 [0,0,0,1,0,0|2,0,1]=4 113 B10R1.86 CCCN1CC[C@H]1C(=O)O P15802 [0,0,0,1,0,0|2,0,1]=4 114 B10R1.126 O=C(O)CCCCC1CC1 D84271 [0,0,0,1,0,0|1,0,1]=3 115 B10R1.348 O=C(O)C1CCCCCC1 O11712 [0,0,0,1,0,0|1,0,1]=3 116 B10R1.348 O=C(O)[C@H]1CCCNCC1 37184 [0,0,0,1,0,0|2,0,1]=4 117 B7R0.1 BrCCCCCCBr D77996 [2,0,0,0,0,0|2,0,0]=4 118 B7R0.1 C#CCCCCCO 35608 [2,0,0,0,0,0|0,0,2]=4 119 B7R0.1 CCCCCCCBr D78084 [2,0,0,0,0,0|1,0,0]=3 120 B7R0.1 CCCCCCCI D70828 [2,0,0,0,0,0|1,0,0]=3 121 B7R0.1 CCCCCCCS D90781 [2,0,0,0,0,0|0,1,0]=3 122 B7R0.1 CCCCOCCCl D89363 [2,0,0,0,0,0|2,0,0]=4 123 B7R0.1 CNCCCCNC 29857 [2,0,0,0,0,0|2,0,0]=4 124 B7R0.1 COCCOCCO D78002 [2,0,0,0,0,0|2,0,0]=4 125 B7R0.1 ClCCCCCCBr AC1307 [2,0,0,0,0,0|2,0,0]=4 126 B7R0.1 ClCCCCCCI O10399 [2,0,0,0,0,0|2,0,0]=4 127 B7R0.1 ICCCCCCI D78160 [2,0,0,0,0,0|2,0,0]=4 128 B7R0.1 NCCCCCCN H11757 [2,0,0,0,0,0|2,0,0]=4 129 B7R0.1 NCCCCCCO 74060 [2,0,0,0,0,0|1,0,0]=3 130 B7R0.1 NCCCNCCO 37148 [2,0,0,0,0,0|2,0,0]=4 131 B7R0.1 NCCNCCCO H11394 [2,0,0,0,0,0|2,0,0]=4 132 B7R0.1 OCCCCCCBr 34408 [2,0,0,0,0,0|1,0,0]=3 133 B7R0.1 OCCCCCCCl D70146 [2,0,0,0,0,0|1,0,0]=3 134 B7R0.1 OCCCCCCS N11988 [2,0,0,0,0,0|1,0,0]=3 135 B7R0.1 SCCCCCCS D90840 [2,0,0,0,0,0|1,1,0]=4 136 B7R0.4 CC(C)CCCCO D94723 [2,0,0,0,0,0|2,0,0]=4 137 B7R0.4 CCCCCB(O)O 33673 [2,0,0,0,0,0|2,0,0]=4 138 B7R0.4 CCCCC[C@H](C)N D90921 [2,0,0,0,0,0|1,0,0]=3 139 B7R0.4 CCCCC[C@H](C)O D83253 [2,0,0,0,0,0|0,0,0]=2 140 B7R0.4 CCCCOC(C)C D93400 [2,0,0,0,0,0|2,0,0]=4 141 B7R0.4 C[C@H](O)CNCCN D90833 [2,0,0,0,0,0|2,0,0]=4 142 B7R0.4 C[C@H](O)CNCCO C13406 [2,0,0,0,0,0|2,0,0]=4 143 B9R0.5 CCCCC[C@@H](C)CCC T71919 [1,1,0,0,0,0|0,0,0]=2 144 B9R0.18 CCCCC(N)CCCC 81547 [1,1,0,0,0,0|0,0,0]=2 145 B9R0.18 CCCCC(O)CCCC D91684 [1,1,0,0,0,0|0,0,0]=2 146 B9R0.45 BrCCCCCCCCBr O10358 [1,1,0,0,0,0|1,0,0]=3 147 B9R0.45 C#CCCCCCCCC F11366 [1,1,0,0,0,0|0,0,1]=3 148 B9R0.45 C#CCCCCCCCO W16725 [1,1,0,0,0,0|0,0,1]=3 149 B9R0.45 C=CCCCCCCCBr I11993 [1,1,0,0,0,0|0,0,2]=4 150 B9R0.45 C=CCCCCCCCCl N12233 [1,1,0,0,0,0|0,0,2]=4 151 B9R0.45 C=CCCCCCCCO D91757 [1,1,0,0,0,0|0,0,1]=3 152 B9R0.45 CCCCC#CCCCC D73342 [1,1,0,0,0,0|0,0,1]=3 153 B9R0.45 CCCCCCCCC#N D91888 [1,1,0,0,0,0|0,0,1]=3 154 B9R0.45 CCCCCCCCCI D91171 [1,1,0,0,0,0|0,0,0]=2 155 B9R0.45 CCCCCCCCCO D70513 [1,1,0,0,0,0|0,0,0]=2 156 B9R0.45 CCCCCCCCNC O12029 [1,1,0,0,0,0|0,0,0]=2 157 B9R0.45 CCCCCCCNCC D90566 [1,1,0,0,0,0|0,0,0]=2 158 B9R0.45 CCCCCC\C=C/CO D91736 [1,1,0,0,0,0|0,0,1]=3 159 B9R0.45 CCCCNCCCCO D88720 [1,1,0,0,0,0|0,0,0]=2 160 B9R0.45 CC\C=C/CCCCCO D91715 [1,1,0,0,0,0|0,0,1]=3 161 B9R0.45 CNCCCCCCNC F17013 [1,1,0,0,0,0|1,0,0]=3 162 B9R0.45 COCCCCCCOC D90120 [1,1,0,0,0,0|1,0,0]=3 163 B9R0.45 ClCCCCCCCCCl O10360 [1,1,0,0,0,0|1,0,0]=3 164 B9R0.45 ICCCCCCCCI F19540 [1,1,0,0,0,0|1,0,0]=3 165 B9R0.45 NCCCCCCCCN F21311 [1,1,0,0,0,0|1,0,0]=3 166 B9R0.45 NCCCCCCCCO H11908 [1,1,0,0,0,0|0,0,0]=2 167 B9R0.45 NCCCCNCCCN D95527 [1,1,0,0,0,0|2,0,0]=4 168 B9R0.45 NCCOCCOCCO H10924 [1,1,0,0,0,0|2,0,0]=4 169 B9R0.45 OCCCCCCCCBr 54574 [1,1,0,0,0,0|0,0,0]=2 170 B9R0.45 OCCCCCCCCCl AC2187 [1,1,0,0,0,0|0,0,0]=2 171 B9R0.45 OCCCCCCCCO O12036 [1,1,0,0,0,0|0,0,0]=2 172 B9R0.45 OCCCSSCCCO D70039 [1,1,0,0,0,0|2,0,0]=4 173 B9R0.45 OCCNCCNCCO AC8257 [1,1,0,0,0,0|2,0,0]=4 174 B9R0.45 OCCOCCOCCCl H11263 [1,1,0,0,0,0|2,0,0]=4 175 B9R0.45 OCCSCCSCCO D95286 [1,1,0,0,0,0|2,0,0]=4 176 B9R0.45 SCCCCCCCCS D91866 [1,1,0,0,0,0|0,1,0]=3 177 B9R0.46 CCCCCCC(=O)OC D90782 [1,1,0,0,0,0|1,0,1]=4 178 B9R0.46 CCCCCC[C@H](O)CO F21409 [1,1,0,0,0,0|0,0,0]=2 179 B9R0.46 COC(=O)CCCCCO D97618 [1,1,0,0,0,0|1,0,1]=4 180 B9R0.4 CCCC[C@H](N)CC(=O)O 29775 [1,1,0,0,0,0|1,0,1]=4 181 B9R0.38 CCCCCCC(C)(C)O D93517 [1,1,0,0,0,0|0,0,0]=2 182 B9R0.38 CCCCCC[N+](C)(C)C D90893 [1,1,0,0,0,0|2,0,0]=4 183 B9R0.38 CCCCCC[Si](C)(C)Cl D89556 [1,1,0,0,0,0|1,1,0]=4 184 B9R0.47 CCCCC[C@H](C)C(=O)O D91473 [1,1,0,0,0,0|1,0,1]=4 185 B9R0.47 CCCCC[C@H](N)C(=O)O C71385 [1,1,0,0,0,0|1,0,1]=4 186 B9R0.47 CCCCOC(=O)[C@H](C)O D70202 [1,1,0,0,0,0|1,0,1]=4 187 B11R0.180 C[C@H](CC=O)CCCC(C)(C)O D70299 [0,2,0,0,0,0|1,0,1]=4 188 B11R0.2 CCCCCC[C@H](C)OC(C)=O D92937 [0,2,0,0,0,0|0,0,2]=4 189 B11R0.40 CCCCCCCCC(=O)OC D91668 [0,2,0,0,0,0|0,0,2]=4 190 B11R0.40 CCCCCCCC[C@@H](O)CC D92752 [0,2,0,0,0,0|0,0,0]=2 191 B11R0.40 CCCCCCCC[C@H](O)CO D90105 [0,2,0,0,0,0|0,0,0]=2 192 B11R0.42 CCCCCCCC(=O)N(C)C S10478 [0,2,0,0,0,0|0,0,2]=4 193 B11R0.46 CCCCCN(C)CCC(=O)O D81790 [0,2,0,0,0,0|1,0,1]=4 194 B11R0.46 CCCCC[C@H](C)CCC(=O)O D70230 [0,2,0,0,0,0|1,0,1]=4 195 B11R0.148 C=CCCCCCCCC(=O)O N12000 [0,2,0,0,0,0|1,0,1]=4 196 B11R0.148 CC(C)CCCCCCCCO D93483 [0,2,0,0,0,0|1,0,0]=3 197 B11R0.148 CCCCCCCCCC(=O)O D70225 [0,2,0,0,0,0|1,0,1]=4 198 B11R0.148 CCCCCCCCCC(C)=O F17694 [0,2,0,0,0,0|0,0,2]=4 199 B11R0.148 CCCCCCCCCC(C)C C11011 [0,2,0,0,0,0|1,0,0]=3 200 B11R0.148 CCCCCCCCC[13C](=O)O D78974 [0,2,0,0,0,0|1,0,1]=4 201 B11R0.148 CCCCCCCCC[C@H](C)O D92751 [0,2,0,0,0,0|0,0,0]=2 202 B11R0.148 CCCCC\C=C\CCC(=O)O D90291 [0,2,0,0,0,0|1,0,1]=4 203 B11R0.148 CCCCOCCOCC(=O)O W16397 [0,2,0,0,0,0|1,0,1]=4 204 B11R0.148 O=C(O)CCCCCCCCBr 54506 [0,2,0,0,0,0|1,0,1]=4 205 B11R0.148 O=C(O)CCCCCCCCO 29995 [0,2,0,0,0,0|1,0,1]=4 206 B11R0.159 CCCCCCCCP(=O)(O)O H10451 [0,2,0,0,0,0|2,0,0]=4 207 B11R0.159 CCCCCCCC[N+](C)(C)C D82026 [0,2,0,0,0,0|2,0,0]=4 208 B11R0.159 CCCCCCCC[N+](C)(C)C F15452 [0,2,0,0,0,0|2,0,0]=4 209 B11R0.159 CCCCCCCC[Si](C)(C)Cl D86378 [0,2,0,0,0,0|1,1,0]=4 210 B11R0.159 CCCCCCCC[Si](C)(Cl)Cl D91852 [0,2,0,0,0,0|1,1,0]=4 211 B11R0.31 CC(C)(C)CCCCCC(=O)O H10667 [0,2,0,0,0,0|1,0,1]=4 212 B11R0.4 C=COC(=O)CCCCCCC D84790 [0,2,0,0,0,0|1,0,1]=4 213 B11R0.142 CCCCCC[C@H](Br)C(=O)OC AC8734 [0,2,0,0,0,0|0,0,2]=4 214 B11R0.164 CCCC[C@H](CC)CCC(=O)O AC7928 [0,2,0,0,0,0|1,0,1]=4 215 B9R1.8 BrCCC1CCCCC1 O10764 [1,0,0,1,0,0|1,0,0]=3 216 B9R1.8 BrCCC1OCCCO1 C13791 [1,0,0,1,0,0|2,0,0]=4 217 B9R1.8 CCCN1CCNCC1 22995 [1,0,0,1,0,0|2,0,0]=4 218 B9R1.8 CCC[C@H]1CCCCN1 Y10685 [1,0,0,1,0,0|1,0,0]=3 219 B9R1.8 CCNC1CCOCC1 20751 [1,0,0,1,0,0|2,0,0]=4 220 B9R1.8 CCOC1CCNCC1 D95786 [1,0,0,1,0,0|2,0,0]=4 221 B9R1.8 CCO[C@H]1CCCNC1 75813 [1,0,0,1,0,0|2,0,0]=4 222 B9R1.8 CNCC1CCOCC1 28114 [1,0,0,1,0,0|2,0,0]=4 223 B9R1.8 COCC1CCNCC1 64129 [1,0,0,1,0,0|2,0,0]=4 224 B9R1.8 COCC1CCNCC1 P10350 [1,0,0,1,0,0|2,0,0]=4 225 B9R1.8 COC[C@H]1CNCCO1 77671 [1,0,0,1,0,0|2,0,0]=4 226 B9R1.8 ClCOC1CCCCC1 D89466 [1,0,0,1,0,0|2,0,0]=4 227 B9R1.8 N#CCC1CCCCC1 SC5095 [1,0,0,1,0,0|1,0,1]=4 228 B9R1.8 NCCC1CCOCC1 51287 [1,0,0,1,0,0|2,0,0]=4 229 B9R1.8 NCCN1CCCCC1 65590 [1,0,0,1,0,0|2,0,0]=4 230 B9R1.8 NCCN1CCCCC1 P10019 [1,0,0,1,0,0|2,0,0]=4 231 B9R1.8 OCCC1CCCCC1 AC8984 [1,0,0,1,0,0|0,0,0]=2 232 B9R1.8 OCCC1CCNCC1 F11198 [1,0,0,1,0,0|1,0,0]=3 233 B9R1.8 OCCC1CCNCC1 S11476 [1,0,0,1,0,0|1,0,0]=3 234 B9R1.8 OCCN1CCCCC1 D70541 [1,0,0,1,0,0|1,0,0]=3 235 B9R1.8 OCCN1CCNCC1 P16516 [1,0,0,1,0,0|2,0,0]=4 236 B9R1.8 OCCN1CCOCC1 D77715 [1,0,0,1,0,0|2,0,0]=4 237 B9R1.8 OCC[C@H]1CCCCN1 36636 [1,0,0,1,0,0|1,0,0]=3 238 B9R1.8 OCC[C@H]1CCCCN1 62346 [1,0,0,1,0,0|1,0,0]=3 239 B9R1.8 OCC[C@H]1CCCCN1 P10605 [1,0,0,1,0,0|1,0,0]=3 240 B9R1.8 OCC[C@H]1CCCCO1 F20608 [1,0,0,1,0,0|1,0,0]=3 241 B9R1.8 OCC[C@H]1CCCNC1 65598 [1,0,0,1,0,0|1,0,0]=3 242 B9R1.8 OCC[C@H]1CNCCN1 53864 [1,0,0,1,0,0|2,0,0]=4 243 B9R1.12 BrCCCC1OCCO1 77883 [1,0,0,1,0,0|2,0,0]=4 244 B9R1.12 CCCCN1CCCC1 D94689 [1,0,0,1,0,0|1,0,0]=3 245 B9R1.12 CCCC[C@H]1CCCN1 D83453 [1,0,0,1,0,0|1,0,0]=3 246 B9R1.12 ClCCCC1OCCO1 TD8141 [1,0,0,1,0,0|2,0,0]=4 247 B9R1.12 ClCCCN1CCCC1 30437 [1,0,0,1,0,0|2,0,0]=4 248 B9R1.12 ClCCCN1CCCC1 D70826 [1,0,0,1,0,0|2,0,0]=4 249 B9R1.12 ClCCCN1CCCC1 P17466 [1,0,0,1,0,0|2,0,0]=4 250 B9R1.12 NCCCC1CCCC1 P17748 [1,0,0,1,0,0|1,0,0]=3 251 B9R1.12 NCCCN1CCCC1 35113 [1,0,0,1,0,0|2,0,0]=4 252 B9R1.12 NCCOC1CCCC1 31471 [1,0,0,1,0,0|2,0,0]=4 253 B9R1.12 OCCCC1CCCC1 AB3609 [1,0,0,1,0,0|0,0,0]=2 254 B9R1.12 OCCCN1CCCC1 29105 [1,0,0,1,0,0|1,0,0]=3 255 B9R1.14 CCN1CCC[C@@H]1CN 23003 [1,0,0,1,0,0|2,0,0]=4 256 B9R1.14 CCN1CCC[C@@H]1CN 51604 [1,0,0,1,0,0|2,0,0]=4 257 B9R1.14 CCN1CCC[C@@H]1CN 51605 [1,0,0,1,0,0|2,0,0]=4 258 B9R1.14 CCN1CCC[C@@H]1CN P10007 [1,0,0,1,0,0|2,0,0]=4 259 B9R1.14 CCN1CCC[C@@H]1CN P10140 [1,0,0,1,0,0|2,0,0]=4 260 B9R1.15 CC[C@H]1CCCCC1=O D97760 [1,0,0,1,0,0|0,0,2]=4 261 B9R1.15 CN1CCCC[C@@H]1CO 39294 [1,0,0,1,0,0|1,0,0]=3 262 B9R1.15 C[C@H]1CCCC\C1=N\O D86326 [1,0,0,1,0,0|1,0,1]=4 263 B9R1.15 OC[C@@H]1CCNC[C@@H]1O P10848 [1,0,0,1,0,0|2,0,0]=4 264 B9R1.15 OC[C@H]1CCNC[C@@H]1O P18545 [1,0,0,1,0,0|2,0,0]=4 265 B9R1.33 CN1CCC[C@@H]1CCN 56034 [1,0,0,1,0,0|2,0,0]=4 266 B9R1.33 CN1CCC[C@@H]1CCN P19602 [1,0,0,1,0,0|2,0,0]=4 267 B9R1.33 CN1CCC[C@@H]1CCO 28910 [1,0,0,1,0,0|1,0,0]=3 268 B9R1.33 OCCC1CCCC1O D80870 [1,0,0,1,0,0|1,0,0]=3 269 B9R1.50 NC1CCCCCCC1 D89372 [1,0,0,1,0,0|1,0,0]=3 270 B9R1.50 O=C1CCCCCCC1 78195 [1,0,0,1,0,0|0,0,2]=4 271 B9R1.50 O=C1CCCCCCO1 D94278 [1,0,0,1,0,0|1,0,1]=4 272 B9R1.50 OC1CCCCCCC1 D89280 [1,0,0,1,0,0|0,0,0]=2 273 B9R1.50 O[C@@H]1CCC=CCCC1 H10619 [1,0,0,1,0,0|0,0,2]=4 274 B9R1.83 CCCCCC[C@H]1CO1 F20386 [1,0,0,1,0,0|0,0,0]=2 275 B9R1.89 CCN1CCCNCC1 72395 [1,0,0,1,0,0|2,0,0]=4 276 B9R1.89 CNC1CCCCCC1 D95799 [1,0,0,1,0,0|1,0,0]=3 277 B9R1.89 OCC1CCCCCC1 A11790 [1,0,0,1,0,0|0,0,0]=2 278 B9R1.89 ON=C1CCCCCC1 D89425 [1,0,0,1,0,0|1,0,1]=4 279 B9R1.2 CCN1CCC[C@H](O)C1 77860 [1,0,0,1,0,0|1,0,0]=3 280 B9R1.2 CNC1CCCC(O)C1 AB7429 [1,0,0,1,0,0|1,0,0]=3 281 B9R1.2 NCC1CCCC(O)C1 31886 [1,0,0,1,0,0|1,0,0]=3 282 B9R1.6 CC(=O)C1CCCCC1 P10040 [1,0,0,1,0,0|0,0,2]=4 283 B9R1.6 C[C@H](N)C1CCCCC1 79906 [1,0,0,1,0,0|1,0,0]=3 284 B9R1.6 C[C@H](N)C1CCCCC1 79909 [1,0,0,1,0,0|1,0,0]=3 285 B9R1.6 C[C@H](N)C1CCCCC1 N12504 [1,0,0,1,0,0|1,0,0]=3 286 B9R1.6 C[C@H](O)C1CCCCC1 F11489 [1,0,0,1,0,0|0,0,0]=2 287 B9R1.6 C[C@H](O)C1CCNCC1 AC1242 [1,0,0,1,0,0|1,0,0]=3 288 B9R1.6 O=C(O)C1CCCCC1 P17799 [1,0,0,1,0,0|1,0,1]=4 289 B9R1.6 OB(O)C1CCCCC1 33988 [1,0,0,1,0,0|2,0,0]=4 290 B9R1.7 CCC[C@H]1CCC(=O)O1 D90888 [1,0,0,1,0,0|1,0,1]=4 291 B9R1.13 CC(C)C[C@H]1CCCN1 AR1079 [1,0,0,1,0,0|2,0,0]=4 292 B9R1.13 O=C(O)CC1CCCC1 70862 [1,0,0,1,0,0|1,0,1]=4 293 B9R1.41 CC1CCCC1C(=O)O 33416 [1,0,0,1,0,0|1,0,1]=4 294 B9R1.148 CC1(O)CCCCCC1 D93172 [1,0,0,1,0,0|0,0,0]=2 295 B9R1.148 C[C@]1(O)CCCNCC1 37168 [1,0,0,1,0,0|1,0,0]=3 296 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O D91752 [0,1,0,1,0,0|2,0,0]=4 297 B11R1.166 CC(C)[C@H]1CC[C@H](C)C[C@@H]1O 76519 [0,1,0,1,0,0|2,0,0]=4 298 B11R1.166 CC(C)[C@H]1CC[C@H](C)C[C@@H]1O D70313 [0,1,0,1,0,0|2,0,0]=4 299 B11R1.166 CC1CCC(C(C)C)C(O)C1 95722 [0,1,0,1,0,0|2,0,0]=4 300 B11R1.24 CCCC[C@H]1CCCC(=O)O1 D91705 [0,1,0,1,0,0|1,0,1]=4 301 B11R1.27 CCCCC[C@H]1CCC(=O)O1 D70273 [0,1,0,1,0,0|1,0,1]=4 302 B11R1.53 CN[C@H]1CCCC[C@@H]1N(C)C D76339 [0,1,0,1,0,0|2,0,0]=4 303 B11R1.91 O=C(O)CCC1CCCCC1 H10698 [0,1,0,1,0,0|1,0,1]=4 304 B11R1.91 O=C(O)CCC1CCNCC1 82923 [0,1,0,1,0,0|1,0,1]=4 305 B11R1.91 O=C(O)CCC1CCNCC1 82924 [0,1,0,1,0,0|1,0,1]=4 306 B11R1.91 O=C(O)CCN1CCCCC1 65244 [0,1,0,1,0,0|1,0,1]=4 307 B11R1.91 O=C(O)COC1CCCCC1 29839 [0,1,0,1,0,0|1,0,1]=4 308 B11R1.742 O=C(O)CC1CCCCCC1 BL003152 [0,1,0,1,0,0|1,0,1]=4 309 B11R1.509 CC(C)(C)NC1CCCCC1 74126 [0,1,0,1,0,0|2,0,0]=4 310 B11R1.1 CCCCC1CCC(O)CC1 D88877 [0,1,0,1,0,0|0,0,0]=2 311 B11R1.1 COCCN1CCC(O)CC1 P11597 [0,1,0,1,0,0|2,0,0]=4 312 B11R1.40 COC(=O)CC1CCCCC1 F14170 [0,1,0,1,0,0|0,0,2]=4 313 B11R1.40 OC[C@@H](O)CN1CCOCC1 D91406 [0,1,0,1,0,0|2,0,0]=4 314 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O 59429 [0,1,0,1,0,0|1,0,1]=4 315 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 23749 [0,1,0,1,0,0|1,0,1]=4 316 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 59682 [0,1,0,1,0,0|1,0,1]=4 317 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 59684 [0,1,0,1,0,0|1,0,1]=4 318 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 F14565 [0,1,0,1,0,0|1,0,1]=4 319 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 F14573 [0,1,0,1,0,0|1,0,1]=4 320 B11R1.36 O=C(O)[C@@H](O)C1CCCCC1 A50840 [0,1,0,1,0,0|1,0,1]=4 321 B11R2.748 O[C@@H]1COC2(CCCC2)C1 P15931 [0,0,0,2,0,0|1,0,0]=3 322 B11R2.238 C1CCC(NC2CC2)CC1 D85656 [0,0,0,2,0,0|2,0,0]=4 323 B11R2.703 OC1CC2(CCNCC2)C1 P15439 [0,0,0,2,0,0|1,0,0]=3 324 B11R2.845 O=C(O)C1CC2CCC1C2 C10102 [0,0,0,2,0,0|1,0,1]=4 325 B11R2.732 CC1(C)[C@@H]2CC[C@H]1C(N)C2 83545 [0,0,0,2,0,0|2,0,0]=4 326 B11R2.432 CN1C2CCC1CC(N)C2 S10807 [0,0,0,2,0,0|2,0,0]=4 327 B11R2.432 CN1C2CCC1CC(O)C2 43819 [0,0,0,2,0,0|1,0,0]=3 328 B11R2.432 CN1[C@H]2CC[C@@H]1C[C@@H](N)C2 37031 [0,0,0,2,0,0|2,0,0]=4 329 B11R2.432 CN1[C@H]2CC[C@@H]1C[C@H](N)C2 35721 [0,0,0,2,0,0|2,0,0]=4 330 B11R2.432 CN1[C@H]2CC[C@@H]1C[C@H](O)C2 F10571 [0,0,0,2,0,0|1,0,0]=3 331 B11R2.432 CN1[C@H]2CC[C@@H]1C[C@H](S)C2 73375 [0,0,0,2,0,0|1,1,0]=4 332 B11R2.1034 C(CCC1CO1)CC2CO2 F10176 [0,0,0,2,0,0|1,0,0]=3