0 B8R0.4 BrCCCCCCCBr H11758 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.4 C#CCCCCCCO 85580 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.4 C=CCCCCCCBr 78390 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.4 C=CCCCCCCCl I11995 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.4 CCCCCCCCCl D97411 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.4 CCCCCCCCI W18672 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.4 CCCCCCCCN D91873 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.4 CCCCCCCCN D91878 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.4 CCCCCCCNC D82019 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.4 CCCCCCN=C=S D95721 [0,0,0,0,0,0|1,1,1]=3 10 B8R0.4 CCCCC\C=C\C=O D91827 [0,0,0,0,0,0|0,0,4]=4 11 B8R0.4 CCCCC\C=C\CO D91843 [0,0,0,0,0,0|0,0,2]=2 12 B8R0.4 CCCCOCCC#N AC1754 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.4 CCCCOCCOC A11001 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.4 CCCC[SnH4+2]CCCC D95293 [0,0,0,0,0,0|2,0,0]=2 15 B8R0.4 CCCC[SnH4+2]CCCC D95356 [0,0,0,0,0,0|2,0,0]=2 16 B8R0.4 CCCSSSCCC D95313 [0,0,0,0,0,0|4,0,0]=4 17 B8R0.4 CCOCCOCCBr D97193 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.4 CCOCCOCCO D72502 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.4 COCCNCCOC F11888 [0,0,0,0,0,0|4,0,0]=4 20 B8R0.4 COCCOCCCBr S10711 [0,0,0,0,0,0|3,0,0]=3 21 B8R0.4 COCCOCCCN A10954 [0,0,0,0,0,0|3,0,0]=3 22 B8R0.4 COCCOCCOC D80970 [0,0,0,0,0,0|4,0,0]=4 23 B8R0.4 NCCCCCCCN O11823 [0,0,0,0,0,0|2,0,0]=2 24 B8R0.4 NCCCOCCCN T70571 [0,0,0,0,0,0|3,0,0]=3 25 B8R0.4 OCCCCCCCBr 34162 [0,0,0,0,0,0|1,0,0]=1 26 B8R0.4 OCCCCCCCCl D97219 [0,0,0,0,0,0|1,0,0]=1 27 B8R0.4 OCCCCCCCO H10510 [0,0,0,0,0,0|1,0,0]=1 28 B8R0.4 OCCCNCCCO O10901 [0,0,0,0,0,0|2,0,0]=2 29 B8R0.4 [N-]=[N+]=NCCOCCO C70236 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.1 BrCCCCCCBr D77996 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.1 C#CCCCCCO 35608 [1,0,0,0,0,0|0,0,2]=3 32 B7R0.1 C=CCCCCCBr 34943 [1,0,0,0,0,0|1,0,2]=4 33 B7R0.1 C=CCCCCNC C75624 [1,0,0,0,0,0|1,0,2]=4 34 B7R0.1 C=CCOCCCC D88441 [1,0,0,0,0,0|1,0,2]=4 35 B7R0.1 CCCCCCCBr D78084 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.1 CCCCCCCI D70828 [1,0,0,0,0,0|1,0,0]=2 37 B7R0.1 CCCCCCCS D90781 [1,0,0,0,0,0|0,1,0]=2 38 B7R0.1 CCCCOCCCl D89363 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.1 CNCCCCNC 29857 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.1 COCCOCCBr AC1298 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.1 COCCOCCN F19842 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.1 COCCOCCO D78002 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.1 ClCCCCCCBr AC1307 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.1 ClCCCCCCI O10399 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.1 ICCCCCCI D78160 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.1 N#CCCCCCBr 76351 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.1 N#CCCCCCN D92992 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.1 NCCCCCCN H11757 [1,0,0,0,0,0|2,0,0]=3 49 B7R0.1 NCCCCCCO 74060 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.1 NCCCNCCBr 37146 [1,0,0,0,0,0|3,0,0]=4 51 B7R0.1 NCCCNCCO 37148 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.1 NCCNCCCO H11394 [1,0,0,0,0,0|2,0,0]=3 53 B7R0.1 OCCCCCCBr 34408 [1,0,0,0,0,0|1,0,0]=2 54 B7R0.1 OCCCCCCCl D70146 [1,0,0,0,0,0|1,0,0]=2 55 B7R0.1 OCCCCCCS N11988 [1,0,0,0,0,0|1,0,0]=2 56 B7R0.1 SCCCCCCS D90840 [1,0,0,0,0,0|1,1,0]=3 57 B9R0.2 CC(=O)NCCCCCN F14796 [0,1,0,0,0,0|2,0,1]=4 58 B9R0.2 CC(=O)OCCCCCBr D70120 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.2 CC(=O)OCCOCCO S10606 [0,1,0,0,0,0|2,0,1]=4 60 B9R0.2 CC(C)NCCCCCO H11897 [0,1,0,0,0,0|1,0,0]=2 61 B9R0.2 CCCCCCCB(O)O F30119 [0,1,0,0,0,0|1,0,0]=2 62 B9R0.2 CCCCCCCC(N)=O D91840 [0,1,0,0,0,0|0,0,2]=3 63 B9R0.2 CCCCCCNC(N)=S D97364 [0,1,0,0,0,0|1,1,1]=4 64 B9R0.2 CCCNCCCN(C)C D97633 [0,1,0,0,0,0|3,0,0]=4 65 B9R0.2 NCCCCCCC(=O)O 33797 [0,1,0,0,0,0|1,0,1]=3 66 B9R0.2 NCCCCCCC(=O)O F11866 [0,1,0,0,0,0|1,0,1]=3 67 B9R0.2 O=C(O)CCCCCCBr F11868 [0,1,0,0,0,0|1,0,1]=3 68 B9R0.2 O=C(O)CCCCCCO O11656 [0,1,0,0,0,0|1,0,1]=3 69 B9R0.5 CCCCC[C@@H](C)CCC T71919 [0,1,0,0,0,0|1,0,0]=2 70 B9R0.5 CCOC(=O)CCCCBr 78992 [0,1,0,0,0,0|2,0,1]=4 71 B9R0.18 CCCCC(N)CCCC 81547 [0,1,0,0,0,0|1,0,0]=2 72 B9R0.18 CCCCC(O)CCCC D91684 [0,1,0,0,0,0|1,0,0]=2 73 B9R0.18 O=C(CCCCl)CCCCl O10356 [0,1,0,0,0,0|2,0,1]=4 74 B9R0.45 BrCCCCCCCCBr O10358 [0,1,0,0,0,0|1,0,0]=2 75 B9R0.45 C#CCCC#CCCCC D83407 [0,1,0,0,0,0|1,0,2]=4 76 B9R0.45 C#CCCCCCCCC F11366 [0,1,0,0,0,0|1,0,0]=2 77 B9R0.45 C#CCCCCCCCO W16725 [0,1,0,0,0,0|0,0,1]=2 78 B9R0.45 C#CCOCCOCCO 71074 [0,1,0,0,0,0|1,0,2]=4 79 B9R0.45 C=CCCCCCCC=C D89618 [0,1,0,0,0,0|1,0,2]=4 80 B9R0.45 C=CCCCCCCCBr I11993 [0,1,0,0,0,0|1,0,1]=3 81 B9R0.45 C=CCCCCCCCCl N12233 [0,1,0,0,0,0|1,0,1]=3 82 B9R0.45 C=CCCCCCCCO D91757 [0,1,0,0,0,0|0,0,1]=2 83 B9R0.45 CCCCC#CCCCC D73342 [0,1,0,0,0,0|1,0,1]=3 84 B9R0.45 CCCCCCCCC#N D91888 [0,1,0,0,0,0|1,0,0]=2 85 B9R0.45 CCCCCCCCCI D91171 [0,1,0,0,0,0|1,0,0]=2 86 B9R0.45 CCCCCCCCCO D70513 [0,1,0,0,0,0|0,0,0]=1 87 B9R0.45 CCCCCCCCNC O12029 [0,1,0,0,0,0|1,0,0]=2 88 B9R0.45 CCCCCCCNCC D90566 [0,1,0,0,0,0|1,0,0]=2 89 B9R0.45 CCCCCC\C=C/CO D91736 [0,1,0,0,0,0|0,0,1]=2 90 B9R0.45 CCCCCC\C=C\C=O D91718 [0,1,0,0,0,0|0,0,3]=4 91 B9R0.45 CCCCNCCCCO D88720 [0,1,0,0,0,0|0,0,0]=1 92 B9R0.45 CC\C=C/CCCCCO D91715 [0,1,0,0,0,0|0,0,1]=2 93 B9R0.45 CC\C=C\CC\C=C\CO D91740 [0,1,0,0,0,0|0,0,3]=4 94 B9R0.45 CNCCCCCCNC F17013 [0,1,0,0,0,0|2,0,0]=3 95 B9R0.45 COCCCCCCOC D90120 [0,1,0,0,0,0|1,0,0]=2 96 B9R0.45 ClCCCCCCCCCl O10360 [0,1,0,0,0,0|1,0,0]=2 97 B9R0.45 ICCCCCCCCI F19540 [0,1,0,0,0,0|1,0,0]=2 98 B9R0.45 ICCOCCOCCI S10654 [0,1,0,0,0,0|3,0,0]=4 99 B9R0.45 N#CCCCCCCC#N A10750 [0,1,0,0,0,0|1,0,2]=4 100 B9R0.45 NCCCCCCCCN F21311 [0,1,0,0,0,0|1,0,0]=2 101 B9R0.45 NCCCCCCCCO H11908 [0,1,0,0,0,0|0,0,0]=1 102 B9R0.45 NCCCCNCCCN D95527 [0,1,0,0,0,0|2,0,0]=3 103 B9R0.45 NCCNCCNCCN 78344 [0,1,0,0,0,0|3,0,0]=4 104 B9R0.45 NCCOCCOCCN 12774 [0,1,0,0,0,0|3,0,0]=4 105 B9R0.45 NCCOCCOCCO H10924 [0,1,0,0,0,0|2,0,0]=3 106 B9R0.45 OCCCCCCCCBr 54574 [0,1,0,0,0,0|0,0,0]=1 107 B9R0.45 OCCCCCCCCCl AC2187 [0,1,0,0,0,0|0,0,0]=1 108 B9R0.45 OCCCCCCCCO O12036 [0,1,0,0,0,0|0,0,0]=1 109 B9R0.45 OCCCSSCCCO D70039 [0,1,0,0,0,0|2,0,0]=3 110 B9R0.45 OCCNCCNCCO AC8257 [0,1,0,0,0,0|2,0,0]=3 111 B9R0.45 OCCOCCOCCCl H11263 [0,1,0,0,0,0|2,0,0]=3 112 B9R0.45 OCCSCCSCCO D95286 [0,1,0,0,0,0|2,0,0]=3 113 B9R0.45 SCCCCCCCCS D91866 [0,1,0,0,0,0|0,1,0]=2 114 B9R0.45 SCCOCCOCCS AT13664 [0,1,0,0,0,0|2,1,0]=4 115 B9R0.46 CCCCCCC(=O)OC D90782 [0,1,0,0,0,0|2,0,1]=4 116 B9R0.46 CCCCCC[C@H](O)CO F21409 [0,1,0,0,0,0|0,0,0]=1 117 B9R0.46 COC(=O)CCCCCBr AC7709 [0,1,0,0,0,0|2,0,1]=4 118 B9R0.46 COC(=O)CCCCCN 24451 [0,1,0,0,0,0|2,0,1]=4 119 B9R0.46 COC(=O)CCCCCO D97618 [0,1,0,0,0,0|1,0,1]=3 120 B9R1.5 CN1CCCCCC1=O F20350 [0,0,0,1,0,0|1,0,2]=4 121 B9R1.8 BrCCC1CCCCC1 O10764 [0,0,0,1,0,0|1,0,0]=2 122 B9R1.8 BrCCC1OCCCO1 C13791 [0,0,0,1,0,0|2,0,0]=3 123 B9R1.8 BrCCN1CCOCC1 RB3348 [0,0,0,1,0,0|3,0,0]=4 124 B9R1.8 C=COC1CCCCC1 D97843 [0,0,0,1,0,0|2,0,1]=4 125 B9R1.8 CCCN1CCNCC1 22995 [0,0,0,1,0,0|3,0,0]=4 126 B9R1.8 CCC[C@H]1CCCCN1 Y10685 [0,0,0,1,0,0|1,0,0]=2 127 B9R1.8 CCNC1CCOCC1 20751 [0,0,0,1,0,0|3,0,0]=4 128 B9R1.8 CCOC1CCNCC1 D95786 [0,0,0,1,0,0|3,0,0]=4 129 B9R1.8 CCO[C@@H]1CCC=CO1 28714 [0,0,0,1,0,0|1,0,2]=4 130 B9R1.8 CCO[C@H]1CCCNC1 75813 [0,0,0,1,0,0|3,0,0]=4 131 B9R1.8 CNCC1CCOCC1 28114 [0,0,0,1,0,0|3,0,0]=4 132 B9R1.8 COCC1CCNCC1 64129 [0,0,0,1,0,0|3,0,0]=4 133 B9R1.8 COCC1CCNCC1 P10350 [0,0,0,1,0,0|3,0,0]=4 134 B9R1.8 COC[C@H]1CNCCO1 77671 [0,0,0,1,0,0|2,0,0]=3 135 B9R1.8 ClCCN1CCOCC1 35035 [0,0,0,1,0,0|3,0,0]=4 136 B9R1.8 ClCCN1CCOCC1 P16570 [0,0,0,1,0,0|3,0,0]=4 137 B9R1.8 ClCOC1CCCCC1 D89466 [0,0,0,1,0,0|2,0,0]=3 138 B9R1.8 N#CCC1CCCCC1 SC5095 [0,0,0,1,0,0|1,0,1]=3 139 B9R1.8 N#CCC1CCNCC1 F52566 [0,0,0,1,0,0|2,0,1]=4 140 B9R1.8 N#CC[C@H]1CCCNC1 S11284 [0,0,0,1,0,0|2,0,1]=4 141 B9R1.8 NCCC1=CCCCC1 D87820 [0,0,0,1,0,0|1,0,2]=4 142 B9R1.8 NCCC1CCOCC1 51287 [0,0,0,1,0,0|2,0,0]=3 143 B9R1.8 NCCN1CCCCC1 65590 [0,0,0,1,0,0|2,0,0]=3 144 B9R1.8 NCCN1CCCCC1 P10019 [0,0,0,1,0,0|2,0,0]=3 145 B9R1.8 NCCN1CCOCC1 F13469 [0,0,0,1,0,0|3,0,0]=4 146 B9R1.8 O=CCC1CCOCC1 30303 [0,0,0,1,0,0|1,0,2]=4 147 B9R1.8 O=CNC1CCCCC1 D89406 [0,0,0,1,0,0|1,0,2]=4 148 B9R1.8 OCCC1CCCCC1 AC8984 [0,0,0,1,0,0|0,0,0]=1 149 B9R1.8 OCCC1CCNCC1 F11198 [0,0,0,1,0,0|1,0,0]=2 150 B9R1.8 OCCC1CCNCC1 S11476 [0,0,0,1,0,0|1,0,0]=2 151 B9R1.8 OCCN1CCCCC1 D70541 [0,0,0,1,0,0|1,0,0]=2 152 B9R1.8 OCCN1CCNCC1 P16516 [0,0,0,1,0,0|2,0,0]=3 153 B9R1.8 OCCN1CCOCC1 D77715 [0,0,0,1,0,0|2,0,0]=3 154 B9R1.8 OCC[C@H]1CCCCN1 36636 [0,0,0,1,0,0|1,0,0]=2 155 B9R1.8 OCC[C@H]1CCCCN1 62346 [0,0,0,1,0,0|1,0,0]=2 156 B9R1.8 OCC[C@H]1CCCCN1 P10605 [0,0,0,1,0,0|1,0,0]=2 157 B9R1.8 OCC[C@H]1CCCCO1 F20608 [0,0,0,1,0,0|1,0,0]=2 158 B9R1.8 OCC[C@H]1CCCNC1 65598 [0,0,0,1,0,0|1,0,0]=2 159 B9R1.8 OCC[C@H]1CNCCN1 53864 [0,0,0,1,0,0|2,0,0]=3 160 B9R1.8 S=C=NC1CCCCC1 D91097 [0,0,0,1,0,0|1,1,1]=4 161 B9R1.12 BrCCCC1OCCO1 77883 [0,0,0,1,0,0|2,0,0]=3 162 B9R1.12 CCCCN1CCCC1 D94689 [0,0,0,1,0,0|2,0,0]=3 163 B9R1.12 CCCC[C@H]1CCCN1 D83453 [0,0,0,1,0,0|1,0,0]=2 164 B9R1.12 ClCCCC1OCCO1 TD8141 [0,0,0,1,0,0|2,0,0]=3 165 B9R1.12 ClCCCN1CCCC1 30437 [0,0,0,1,0,0|2,0,0]=3 166 B9R1.12 ClCCCN1CCCC1 D70826 [0,0,0,1,0,0|2,0,0]=3 167 B9R1.12 ClCCCN1CCCC1 P17466 [0,0,0,1,0,0|2,0,0]=3 168 B9R1.12 NCCCC1CCCC1 P17748 [0,0,0,1,0,0|1,0,0]=2 169 B9R1.12 NCCCN1CCCC1 35113 [0,0,0,1,0,0|2,0,0]=3 170 B9R1.12 NCCOC1CCCC1 31471 [0,0,0,1,0,0|2,0,0]=3 171 B9R1.12 OCCCC1CCCC1 AB3609 [0,0,0,1,0,0|0,0,0]=1 172 B9R1.12 OCCCN1CCCC1 29105 [0,0,0,1,0,0|1,0,0]=2 173 B9R1.14 CCN1CCC[C@@H]1CN 23003 [0,0,0,1,0,0|2,0,0]=3 174 B9R1.14 CCN1CCC[C@@H]1CN 51604 [0,0,0,1,0,0|2,0,0]=3 175 B9R1.14 CCN1CCC[C@@H]1CN 51605 [0,0,0,1,0,0|2,0,0]=3 176 B9R1.14 CCN1CCC[C@@H]1CN P10007 [0,0,0,1,0,0|2,0,0]=3 177 B9R1.14 CCN1CCC[C@@H]1CN P10140 [0,0,0,1,0,0|2,0,0]=3 178 B9R1.15 CC[C@H]1CCCCC1=O D97760 [0,0,0,1,0,0|0,0,2]=3 179 B9R1.15 CN1CCCC[C@@H]1CO 39294 [0,0,0,1,0,0|1,0,0]=2 180 B9R1.15 CO[C@H]1CCCCC1=O P19682 [0,0,0,1,0,0|1,0,2]=4 181 B9R1.15 CO[C@H]1COCC[C@@H]1N P19588 [0,0,0,1,0,0|3,0,0]=4 182 B9R1.15 C[C@H]1CCCC\C1=N\O D86326 [0,0,0,1,0,0|1,0,1]=3 183 B9R1.15 OC[C@@H]1CCNC[C@@H]1O P10848 [0,0,0,1,0,0|2,0,0]=3 184 B9R1.15 OC[C@H]1CCNC[C@@H]1O P18545 [0,0,0,1,0,0|2,0,0]=3 185 B9R1.33 CCCN1CCCC1=O 65466 [0,0,0,1,0,0|1,0,2]=4 186 B9R1.33 CN1CCC[C@@H]1CCN 56034 [0,0,0,1,0,0|2,0,0]=3 187 B9R1.33 CN1CCC[C@@H]1CCN P19602 [0,0,0,1,0,0|2,0,0]=3 188 B9R1.33 CN1CCC[C@@H]1CCO 28910 [0,0,0,1,0,0|1,0,0]=2 189 B9R1.33 O=C1CCCN1CCO AT12426 [0,0,0,1,0,0|2,0,1]=4 190 B9R1.33 OCCC1CCCC1O D80870 [0,0,0,1,0,0|1,0,0]=2 191 B9R1.50 NC1CCCCCCC1 D89372 [0,0,0,1,0,0|1,0,0]=2 192 B9R1.50 O=C1CCCCCCC1 78195 [0,0,0,1,0,0|0,0,2]=3 193 B9R1.50 O=C1CCCCCCN1 35268 [0,0,0,1,0,0|1,0,2]=4 194 B9R1.50 O=C1CCCCCCO1 D94278 [0,0,0,1,0,0|1,0,1]=3 195 B9R1.50 OC1CCCCCCC1 D89280 [0,0,0,1,0,0|0,0,0]=1 196 B9R1.50 O[C@@H]1CCC=CCCC1 H10619 [0,0,0,1,0,0|0,0,2]=3 197 B9R1.83 CCCCCC[C@H]1CO1 F20386 [0,0,0,1,0,0|0,0,0]=1 198 B9R1.89 CCN1CCCNCC1 72395 [0,0,0,1,0,0|3,0,0]=4 199 B9R1.89 CNC1CCCCCC1 D95799 [0,0,0,1,0,0|2,0,0]=3 200 B9R1.89 COC1=NCCCCC1 78135 [0,0,0,1,0,0|2,0,1]=4 201 B9R1.89 O=NN1CCCCCC1 D93582 [0,0,0,1,0,0|2,0,1]=4 202 B9R1.89 OCC1CCCCCC1 A11790 [0,0,0,1,0,0|0,0,0]=1 203 B9R1.89 ON=C1CCCCCC1 D89425 [0,0,0,1,0,0|1,0,1]=3 204 B9R1.103 C1CNCCNCCN1 F19546 [0,0,0,1,0,0|3,0,0]=4 205 B6R0.6 BrCCCCCBr D70772 [2,0,0,0,0,0|2,0,0]=4 206 B6R0.6 C#CCCCCO F10490 [2,0,0,0,0,0|0,0,2]=4 207 B6R0.6 C=CCCCCO 35574 [2,0,0,0,0,0|0,0,2]=4 208 B6R0.6 CCC#CCCO F11743 [2,0,0,0,0,0|0,0,2]=4 209 B6R0.6 CCCC#CCO D90881 [2,0,0,0,0,0|0,0,2]=4 210 B6R0.6 CCCCCCI F20355 [2,0,0,0,0,0|1,0,0]=3 211 B6R0.6 CCCCCCN F19564 [2,0,0,0,0,0|1,0,0]=3 212 B6R0.6 CCCCCNC D91584 [2,0,0,0,0,0|1,0,0]=3 213 B6R0.6 CCCNCCC D89745 [2,0,0,0,0,0|1,0,0]=3 214 B6R0.6 CCCNCCO C10761 [2,0,0,0,0,0|1,0,0]=3 215 B6R0.6 CCCOCCCl H10822 [2,0,0,0,0,0|2,0,0]=4 216 B6R0.6 CCC\C=C\CO D78301 [2,0,0,0,0,0|0,0,2]=4 217 B6R0.6 CCNCCCN D82016 [2,0,0,0,0,0|2,0,0]=4 218 B6R0.6 CCNCCCO 31655 [2,0,0,0,0,0|1,0,0]=3 219 B6R0.6 CCNCCOC H11999 [2,0,0,0,0,0|2,0,0]=4 220 B6R0.6 CCOCCCCl D95770 [2,0,0,0,0,0|2,0,0]=4 221 B6R0.6 CCOCCCO D95933 [2,0,0,0,0,0|1,0,0]=3 222 B6R0.6 CC\C=C/CCO 73722 [2,0,0,0,0,0|0,0,2]=4 223 B6R0.6 CNCCCCO F10210 [2,0,0,0,0,0|1,0,0]=3 224 B6R0.6 COCCCCBr F13727 [2,0,0,0,0,0|2,0,0]=4 225 B6R0.6 COCCCCCl 28715 [2,0,0,0,0,0|2,0,0]=4 226 B6R0.6 COCCCCO D78159 [2,0,0,0,0,0|1,0,0]=3 227 B6R0.6 C[NH2+]CCC[NH2+]C D90229 [2,0,0,0,0,0|2,0,0]=4 228 B6R0.6 ClCCCCCBr S10881 [2,0,0,0,0,0|2,0,0]=4 229 B6R0.6 ClCCCCCI A10955 [2,0,0,0,0,0|2,0,0]=4 230 B6R0.6 FCCCCCBr 24471 [2,0,0,0,0,0|2,0,0]=4 231 B6R0.6 ICCCCCI P10001 [2,0,0,0,0,0|2,0,0]=4 232 B6R0.6 NCCCCCN D83408 [2,0,0,0,0,0|2,0,0]=4 233 B6R0.6 NCCCCCO I11482 [2,0,0,0,0,0|1,0,0]=3 234 B6R0.6 NCCNCCO D77720 [2,0,0,0,0,0|2,0,0]=4 235 B6R0.6 NCCOCCO C70233 [2,0,0,0,0,0|2,0,0]=4 236 B6R0.6 O=CCCCCO F19841 [2,0,0,0,0,0|1,0,1]=4 237 B6R0.6 OCCCCCBr 23140 [2,0,0,0,0,0|1,0,0]=3 238 B6R0.6 OCCCCCCl O11412 [2,0,0,0,0,0|1,0,0]=3 239 B6R0.6 OCCNCCCl F50591 [2,0,0,0,0,0|2,0,0]=4 240 B6R0.6 OCCNCCO D92250 [2,0,0,0,0,0|2,0,0]=4 241 B6R0.6 OCCOCCBr S10705 [2,0,0,0,0,0|2,0,0]=4 242 B6R0.6 OCCOCCCl D72518 [2,0,0,0,0,0|2,0,0]=4 243 B6R0.6 SCCCCCS D92137 [2,0,0,0,0,0|1,1,0]=4 244 B8R0.6 C=C[C@@H](O)CCCCC D91822 [1,1,0,0,0,0|0,0,2]=4 245 B8R0.6 CCCCC[C@@H](O)CC D78240 [1,1,0,0,0,0|0,0,0]=2 246 B8R0.6 CCCCNC(=O)CC D88679 [1,1,0,0,0,0|1,0,1]=4 247 B8R0.6 CCCCOC(=O)CO D70201 [1,1,0,0,0,0|1,0,1]=4 248 B8R0.6 NCCCC[C@H](N)CO F52525 [1,1,0,0,0,0|1,0,0]=3 249 B8R0.6 OCCCC[C@H](O)CO 75130 [1,1,0,0,0,0|1,0,0]=3 250 B8R0.7 CC(C)CCCCCO A10851 [1,1,0,0,0,0|0,0,0]=2 251 B8R0.7 CC(C)NCCCCO F10470 [1,1,0,0,0,0|1,0,0]=3 252 B8R0.7 CCCCCCB(O)O 33195 [1,1,0,0,0,0|1,0,0]=3 253 B8R0.7 CCCCCCC(=O)Cl A10863 [1,1,0,0,0,0|0,0,2]=4 254 B8R0.7 CCCCCCC(=O)[O-] D90422 [1,1,0,0,0,0|0,0,2]=4 255 B8R0.7 CCCCCCC(N)=O D93021 [1,1,0,0,0,0|0,0,2]=4 256 B8R0.7 CCCCCC[C@H](C)Br F21283 [1,1,0,0,0,0|0,0,0]=2 257 B8R0.7 CCCCCC[C@H](C)O AC1155 [1,1,0,0,0,0|0,0,0]=2 258 B8R0.7 CCCCCC[C@H](C)O D71187 [1,1,0,0,0,0|0,0,0]=2 259 B8R0.7 CCCCCC[C@H](C)O D81747 [1,1,0,0,0,0|0,0,0]=2 260 B8R0.7 CCCCOCC(=O)O AC1559 [1,1,0,0,0,0|1,0,1]=4 261 B8R0.7 CCNCCCN(C)C 31761 [1,1,0,0,0,0|2,0,0]=4 262 B8R0.7 O=C(O)CCCCCBr F11242 [1,1,0,0,0,0|1,0,1]=4 263 B8R0.7 O=C(O)CCCCCCl D77823 [1,1,0,0,0,0|1,0,1]=4 264 B8R0.7 O=C(O)CCCCCO S10488 [1,1,0,0,0,0|1,0,1]=4 265 B8R0.7 O=C([O-])CCCCCO Y10610 [1,1,0,0,0,0|1,0,1]=4 266 B10R0.3 CC(C)=CCC[C@H](C)CCO F16553 [0,2,0,0,0,0|0,0,2]=4 267 B10R0.3 CC(C)CCC[C@H](C)CCBr AB6389 [0,2,0,0,0,0|1,0,0]=3 268 B10R0.3 CC(C)CCC[C@H](C)CCN AB7060 [0,2,0,0,0,0|1,0,0]=3 269 B10R0.3 CCCC(=O)CCCC(=O)O D93029 [0,2,0,0,0,0|0,0,2]=4 270 B10R0.4 C=CCCCCCCC(=O)O I11998 [0,2,0,0,0,0|0,0,2]=4 271 B10R0.4 CCCCCCCCB(O)O 33153 [0,2,0,0,0,0|0,0,0]=2 272 B10R0.4 CCCCCCCCC(=O)Cl D91690 [0,2,0,0,0,0|0,0,1]=3 273 B10R0.4 CCCCCCCCC(=O)[O-] D91669 [0,2,0,0,0,0|0,0,1]=3 274 B10R0.4 CCCCCCCCC(C)=O D89897 [0,2,0,0,0,0|0,0,1]=3 275 B10R0.4 CCCCCCCOC(=O)Cl 62102 [0,2,0,0,0,0|0,0,2]=4 276 B10R0.4 NCCCCCCCC(=O)O 52148 [0,2,0,0,0,0|0,0,1]=3 277 B10R0.4 O=C(O)CCCCCCCBr C10414 [0,2,0,0,0,0|0,0,1]=3 278 B10R0.4 O=CCCCCCCC(=O)O D80547 [0,2,0,0,0,0|0,0,2]=4 279 B10R0.22 CCCCCCCS(=O)(=O)[O-] F10019 [0,2,0,0,0,0|1,0,1]=4 280 B10R0.22 CCCCCCCS(=O)(=O)[O-] F10034 [0,2,0,0,0,0|1,0,1]=4 281 B10R0.74 CCCCCCCC(=O)NN 23135 [0,2,0,0,0,0|0,0,2]=4 282 B10R0.74 CCCCCCCC(=O)NO 35665 [0,2,0,0,0,0|0,0,1]=3 283 B10R0.74 CCCCCCCC(=O)NO D89270 [0,2,0,0,0,0|0,0,1]=3 284 B10R0.74 COC(=O)CCCCCCBr F11980 [0,2,0,0,0,0|1,0,1]=4 285 B10R0.74 COC(=O)CCCCCCN 67874 [0,2,0,0,0,0|1,0,1]=4 286 B10R0.75 CCCCCC[C@H](N)C(=O)O C14122 [0,2,0,0,0,0|0,0,1]=3 287 B10R0.75 CCCCCC[C@H](N)C(=O)O D86759 [0,2,0,0,0,0|0,0,1]=3 288 B10R0.75 CCCCCC[C@H](N)C(=O)O S10911 [0,2,0,0,0,0|0,0,1]=3 289 B10R0.75 CCCCCC[C@H](O)C(=O)O D81442 [0,2,0,0,0,0|0,0,1]=3 290 B10R0.75 CNCCCC[C@H](N)C(=O)O F11031 [0,2,0,0,0,0|1,0,1]=4 291 B10R0.78 CCCC[C@H](C)CCC(=O)O D83868 [0,2,0,0,0,0|0,0,1]=3 292 B10R0.97 CC(=O)CCCCCC(=O)O W15940 [0,2,0,0,0,0|0,0,2]=4 293 B10R0.97 CC(C)CCCCCC(=O)O D93038 [0,2,0,0,0,0|0,0,1]=3 294 B10R0.1 CCOC(=O)CCCCCBr 73728 [0,2,0,0,0,0|1,0,1]=4 295 B10R0.1 CCOC(=O)CCCCCN V10012 [0,2,0,0,0,0|1,0,1]=4 296 B10R0.1 CCOC(=O)CCCCCO A11137 [0,2,0,0,0,0|0,0,1]=3 297 B10R0.19 CCCCC(O)C(C)CCC 74028 [0,2,0,0,0,0|1,0,0]=3 298 B10R0.91 CCCCCC(=O)OCCC D92174 [0,2,0,0,0,0|1,0,1]=4 299 B10R0.91 CCCCOC(=O)CCCC D89067 [0,2,0,0,0,0|1,0,1]=4 300 B10R0.71 BrCCCCCCCCCBr O10362 [0,2,0,0,0,0|1,0,0]=3 301 B10R0.71 C#CCCCCCCCCO F16255 [0,2,0,0,0,0|0,0,0]=2 302 B10R0.71 C=CCCCCCCCCBr 29297 [0,2,0,0,0,0|1,0,0]=3 303 B10R0.71 CCCCCCCCCCI D95272 [0,2,0,0,0,0|1,0,0]=3 304 B10R0.71 CCCCCCCCCCN C93407 [0,2,0,0,0,0|1,0,0]=3 305 B10R0.71 CCCCCCCCCCS D94658 [0,2,0,0,0,0|0,1,0]=3 306 B10R0.71 CCCCCCCCN=C=O D94691 [0,2,0,0,0,0|0,0,1]=3 307 B10R0.71 CCCCCCCCN=C=S D91876 [0,2,0,0,0,0|0,1,0]=3 308 B10R0.71 CCCCCCCCNC=O D91867 [0,2,0,0,0,0|0,0,1]=3 309 B10R0.71 CCCCCCC\C=C\C=O A11384 [0,2,0,0,0,0|0,0,2]=4 310 B10R0.71 CCCCC\C=C\CCCO D90033 [0,2,0,0,0,0|0,0,0]=2 311 B10R0.71 CCCCOCOCCCC D89913 [0,2,0,0,0,0|1,0,0]=3 312 B10R0.71 COCCOCCOCCBr AB1175 [0,2,0,0,0,0|2,0,0]=4 313 B10R0.71 COCCOCCOCCN 36136 [0,2,0,0,0,0|2,0,0]=4 314 B10R0.71 COCCOCCOCCO C70224 [0,2,0,0,0,0|1,0,0]=3 315 B10R0.71 ClCCCCCCCCCCl 35145 [0,2,0,0,0,0|1,0,0]=3 316 B10R0.71 ClCCCCOCCCCCl D88715 [0,2,0,0,0,0|1,0,0]=3 317 B10R0.71 NCCCCCCCCCN F16023 [0,2,0,0,0,0|1,0,0]=3 318 B10R0.71 NCCNCCCNCCN D81996 [0,2,0,0,0,0|2,0,0]=4 319 B10R0.71 OCCCCCCCCCBr 54800 [0,2,0,0,0,0|0,0,0]=2 320 B10R0.71 OCCCCCCCCCCl D94653 [0,2,0,0,0,0|0,0,0]=2 321 B10R0.71 OCCCCCCCCCO F20315 [0,2,0,0,0,0|0,0,0]=2 322 B10R0.71 OCCCCNCCCCO A11650 [0,2,0,0,0,0|0,0,0]=2 323 B10R0.71 SCCCCCCCCCS D97848 [0,2,0,0,0,0|0,1,0]=3 324 B8R1.2 BrCC1CCCCC1 81459 [1,0,0,1,0,0|1,0,0]=3 325 B8R1.2 BrCC1CCNCC1 54450 [1,0,0,1,0,0|2,0,0]=4 326 B8R1.2 BrCC1CCOCC1 54616 [1,0,0,1,0,0|2,0,0]=4 327 B8R1.2 C#CC1CCCCC1 F16297 [1,0,0,1,0,0|0,0,2]=4 328 B8R1.2 C=CC1CCCCC1 D92778 [1,0,0,1,0,0|0,0,2]=4 329 B8R1.2 CCN1CCNCC1 P17082 [1,0,0,1,0,0|2,0,0]=4 330 B8R1.2 CC[C@H]1CCCCN1 D90478 [1,0,0,1,0,0|1,0,0]=3 331 B8R1.2 CC[C@H]1COCCN1 F13094 [1,0,0,1,0,0|2,0,0]=4 332 B8R1.2 CC[C@H]1COCCN1 F17622 [1,0,0,1,0,0|2,0,0]=4 333 B8R1.2 CC[C@H]1COCCN1 FD6007 [1,0,0,1,0,0|2,0,0]=4 334 B8R1.2 CNC1CCOCC1 32360 [1,0,0,1,0,0|2,0,0]=4 335 B8R1.2 CNC1CCOCC1 AB1551 [1,0,0,1,0,0|2,0,0]=4 336 B8R1.2 CN[C@H]1CCCNC1 33739 [1,0,0,1,0,0|2,0,0]=4 337 B8R1.2 COC1CCNCC1 29503 [1,0,0,1,0,0|2,0,0]=4 338 B8R1.2 COC1CCNCC1 30319 [1,0,0,1,0,0|2,0,0]=4 339 B8R1.2 CO[C@H]1CCCNC1 32736 [1,0,0,1,0,0|2,0,0]=4 340 B8R1.2 CO[C@H]1CCCNC1 32744 [1,0,0,1,0,0|2,0,0]=4 341 B8R1.2 CO[C@H]1CCCNC1 37169 [1,0,0,1,0,0|2,0,0]=4 342 B8R1.2 CO[C@H]1CCCNC1 37171 [1,0,0,1,0,0|2,0,0]=4 343 B8R1.2 CO[C@H]1CCCNC1 AB7412 [1,0,0,1,0,0|2,0,0]=4 344 B8R1.2 ClC[C@H]1CNCCO1 50754 [1,0,0,1,0,0|2,0,0]=4 345 B8R1.2 ICC1CCOCC1 62810 [1,0,0,1,0,0|2,0,0]=4 346 B8R1.2 N#CC1CCCCC1 F14026 [1,0,0,1,0,0|1,0,1]=4 347 B8R1.2 NCC1CCCCC1 FD10556 [1,0,0,1,0,0|1,0,0]=3 348 B8R1.2 NCC1CCNCC1 20503 [1,0,0,1,0,0|2,0,0]=4 349 B8R1.2 NCC1CCOCC1 51888 [1,0,0,1,0,0|2,0,0]=4 350 B8R1.2 NCC1CCOCC1 AB1593 [1,0,0,1,0,0|2,0,0]=4 351 B8R1.2 NC[C@H]1CCCCN1 F13324 [1,0,0,1,0,0|2,0,0]=4 352 B8R1.2 NC[C@H]1CCCCO1 29695 [1,0,0,1,0,0|1,0,0]=3 353 B8R1.2 NC[C@H]1CCCNC1 51408 [1,0,0,1,0,0|2,0,0]=4 354 B8R1.2 NC[C@H]1CCCNC1 AB01087 [1,0,0,1,0,0|2,0,0]=4 355 B8R1.2 NC[C@H]1CCCOC1 P10450 [1,0,0,1,0,0|2,0,0]=4 356 B8R1.2 NC[C@H]1CNCCO1 30960 [1,0,0,1,0,0|2,0,0]=4 357 B8R1.2 NC[C@H]1COCCO1 P10401 [1,0,0,1,0,0|2,0,0]=4 358 B8R1.2 NNC1CCCCC1 74084 [1,0,0,1,0,0|2,0,0]=4 359 B8R1.2 NNC1CCCCC1 BL010400 [1,0,0,1,0,0|2,0,0]=4 360 B8R1.2 NO[C@@H]1CCCCO1 FD1322 [1,0,0,1,0,0|2,0,0]=4 361 B8R1.2 O=CC1CCCCC1 39466 [1,0,0,1,0,0|0,0,2]=4 362 B8R1.2 OCC1CCCCC1 73723 [1,0,0,1,0,0|0,0,0]=2 363 B8R1.2 OCC1CCNCC1 25838 [1,0,0,1,0,0|1,0,0]=3 364 B8R1.2 OCC1CCOCC1 66550 [1,0,0,1,0,0|1,0,0]=3 365 B8R1.2 OCC1CCSCC1 30719 [1,0,0,1,0,0|1,0,0]=3 366 B8R1.2 OC[C@@H]1CC=CCC1 AC7844 [1,0,0,1,0,0|0,0,2]=4 367 B8R1.2 OC[C@H]1CCCCN1 23778 [1,0,0,1,0,0|1,0,0]=3 368 B8R1.2 OC[C@H]1CCCCN1 25116 [1,0,0,1,0,0|1,0,0]=3 369 B8R1.2 OC[C@H]1CCCCN1 39317 [1,0,0,1,0,0|1,0,0]=3 370 B8R1.2 OC[C@H]1CCCCN1 69389 [1,0,0,1,0,0|1,0,0]=3 371 B8R1.2 OC[C@H]1CCCCO1 P17277 [1,0,0,1,0,0|1,0,0]=3 372 B8R1.2 OC[C@H]1CCCNC1 20066 [1,0,0,1,0,0|1,0,0]=3 373 B8R1.2 OC[C@H]1CCCNC1 25088 [1,0,0,1,0,0|1,0,0]=3 374 B8R1.2 OC[C@H]1CCCNC1 32724 [1,0,0,1,0,0|1,0,0]=3 375 B8R1.2 OC[C@H]1CNCCN1 I11548 [1,0,0,1,0,0|2,0,0]=4 376 B8R1.2 OC[C@H]1CNCCO1 AB7650 [1,0,0,1,0,0|2,0,0]=4 377 B8R1.2 OC[C@H]1CNCCO1 S11136 [1,0,0,1,0,0|2,0,0]=4 378 B8R1.2 OC[C@H]1CNCCO1 SC3861 [1,0,0,1,0,0|2,0,0]=4 379 B8R1.2 OC[C@H]1COCCN1 25766 [1,0,0,1,0,0|2,0,0]=4 380 B8R1.2 OC[C@H]1COCCN1 26437 [1,0,0,1,0,0|2,0,0]=4 381 B8R1.2 OC[C@H]1COCCN1 62952 [1,0,0,1,0,0|2,0,0]=4 382 B8R1.2 OC[C@H]1COCCO1 AC1016 [1,0,0,1,0,0|2,0,0]=4 383 B8R1.2 ONC1CCCCC1 77599 [1,0,0,1,0,0|1,0,0]=3 384 B8R1.2 ONC1CCCCC1 77600 [1,0,0,1,0,0|1,0,0]=3 385 B8R1.5 BrC1CCCCC1Br 23806 [1,0,0,1,0,0|2,0,0]=4 386 B8R1.5 Br[C@H]1CCCC[C@@H]1Br D90058 [1,0,0,1,0,0|2,0,0]=4 387 B8R1.5 C[C@H]1CCCC[C@@H]1N S11914 [1,0,0,1,0,0|1,0,0]=3 388 B8R1.5 C[C@H]1CCCC[C@H]1C D89702 [1,0,0,1,0,0|0,0,0]=2 389 B8R1.5 C[C@H]1CNCCN1C 38274 [1,0,0,1,0,0|2,0,0]=4 390 B8R1.5 C[C@H]1CNCCN1C P11797 [1,0,0,1,0,0|2,0,0]=4 391 B8R1.5 FC1CCCCC1Br T71186 [1,0,0,1,0,0|2,0,0]=4 392 B8R1.5 NC1CCCCC1O AB10042 [1,0,0,1,0,0|1,0,0]=3 393 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67886 [1,0,0,1,0,0|1,0,0]=3 394 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67887 [1,0,0,1,0,0|1,0,0]=3 395 B8R1.5 N[C@@H]1CCCC[C@@H]1O A51241 [1,0,0,1,0,0|1,0,0]=3 396 B8R1.5 N[C@H]1CCCC[C@@H]1N 28367 [1,0,0,1,0,0|2,0,0]=4 397 B8R1.5 N[C@H]1CCCC[C@@H]1N 28369 [1,0,0,1,0,0|2,0,0]=4 398 B8R1.5 N[C@H]1CCCC[C@@H]1N F16348 [1,0,0,1,0,0|2,0,0]=4 399 B8R1.5 N[C@H]1CCCC[C@@H]1O 22869 [1,0,0,1,0,0|1,0,0]=3 400 B8R1.5 N[C@H]1CCCC[C@@H]1O 28325 [1,0,0,1,0,0|1,0,0]=3 401 B8R1.5 N[C@H]1CCCC[C@@H]1O 67740 [1,0,0,1,0,0|1,0,0]=3 402 B8R1.5 N[C@H]1CCCC[C@@H]1O 67741 [1,0,0,1,0,0|1,0,0]=3 403 B8R1.5 N[C@H]1CCCC[C@@H]1O 74387 [1,0,0,1,0,0|1,0,0]=3 404 B8R1.5 N[C@H]1CCCC[C@@H]1O H10809 [1,0,0,1,0,0|1,0,0]=3 405 B8R1.5 N[C@H]1CCCC[C@H]1N 11201 [1,0,0,1,0,0|2,0,0]=4 406 B8R1.5 N[C@H]1COCC[C@@H]1O 38320 [1,0,0,1,0,0|2,0,0]=4 407 B8R1.5 N[C@H]1COCC[C@@H]1O 39243 [1,0,0,1,0,0|2,0,0]=4 408 B8R1.5 N[C@H]1COCC[C@@H]1O P19738 [1,0,0,1,0,0|2,0,0]=4 409 B8R1.5 N[C@H]1COCC[C@@H]1O W11754 [1,0,0,1,0,0|2,0,0]=4 410 B8R1.5 OC1CCCCC1Cl D71128 [1,0,0,1,0,0|1,0,0]=3 411 B8R1.5 OC1CCCCC1O FD9018 [1,0,0,1,0,0|1,0,0]=3 412 B8R1.5 O[C@H]1CCCC[C@@H]1F T72787 [1,0,0,1,0,0|1,0,0]=3 413 B8R1.5 O[C@H]1CCCC[C@@H]1O O12154 [1,0,0,1,0,0|1,0,0]=3 414 B8R1.5 O[C@H]1CNCC[C@@H]1F 37697 [1,0,0,1,0,0|2,0,0]=4 415 B8R1.8 BrCCC1OCCO1 79535 [1,0,0,1,0,0|2,0,0]=4 416 B8R1.8 BrCCN1CCCC1 54542 [1,0,0,1,0,0|2,0,0]=4 417 B8R1.8 CCO[C@H]1CCNC1 31293 [1,0,0,1,0,0|2,0,0]=4 418 B8R1.8 CNC[C@H]1CCCN1 P18037 [1,0,0,1,0,0|2,0,0]=4 419 B8R1.8 CNC[C@H]1CCOC1 P16261 [1,0,0,1,0,0|2,0,0]=4 420 B8R1.8 COC[C@H]1CCCN1 11150 [1,0,0,1,0,0|2,0,0]=4 421 B8R1.8 ClCCN1CCCC1 27886 [1,0,0,1,0,0|2,0,0]=4 422 B8R1.8 N#CCC1CCCC1 97394 [1,0,0,1,0,0|1,0,1]=4 423 B8R1.8 NCCC1CCCC1 23538 [1,0,0,1,0,0|1,0,0]=3 424 B8R1.8 NCCN1CCCC1 AC1468 [1,0,0,1,0,0|2,0,0]=4 425 B8R1.8 OCCC1CCCC1 P10032 [1,0,0,1,0,0|0,0,0]=2 426 B8R1.8 OCCN1CCCC1 F14228 [1,0,0,1,0,0|1,0,0]=3 427 B8R1.8 OCC[C@H]1CCNC1 38792 [1,0,0,1,0,0|1,0,0]=3 428 B8R1.10 CCCOC1CNC1 28518 [1,0,0,1,0,0|2,0,0]=4 429 B8R1.11 CC[C@H]1CCCC1=O D83898 [1,0,0,1,0,0|0,0,2]=4 430 B8R1.11 CN1CCC[C@@H]1CN C74098 [1,0,0,1,0,0|2,0,0]=4 431 B8R1.11 CN1CCC[C@@H]1CN D82178 [1,0,0,1,0,0|2,0,0]=4 432 B8R1.11 CN1CCC[C@@H]1CO 33737 [1,0,0,1,0,0|1,0,0]=3 433 B8R1.11 CN1CCC[C@@H]1CO 33738 [1,0,0,1,0,0|1,0,0]=3 434 B8R1.11 CN1CCC[C@@H]1CO 34380 [1,0,0,1,0,0|1,0,0]=3 435 B8R1.12 OCC1CCC1CO P19699 [1,0,0,1,0,0|1,0,0]=3 436 B8R1.22 CN1CCCNCC1 63976 [1,0,0,1,0,0|2,0,0]=4 437 B8R1.22 C[C@H]1CCCNCC1 72644 [1,0,0,1,0,0|1,0,0]=3 438 B8R1.22 ClC1CCCCCC1 D81846 [1,0,0,1,0,0|1,0,0]=3 439 B8R1.22 NC1CCCCCC1 F19821 [1,0,0,1,0,0|1,0,0]=3 440 B8R1.22 N[C@H]1CCCCNC1 51061 [1,0,0,1,0,0|2,0,0]=4 441 B8R1.22 N[C@H]1CCCCNC1 51996 [1,0,0,1,0,0|2,0,0]=4 442 B8R1.22 N[C@H]1CCCCNC1 A56046 [1,0,0,1,0,0|2,0,0]=4 443 B8R1.22 O=C1CCCCCO1 D70255 [1,0,0,1,0,0|1,0,1]=4 444 B8R1.22 OC1CCCCCC1 D89285 [1,0,0,1,0,0|0,0,0]=2 445 B8R1.22 O[C@H]1CCCNCC1 36657 [1,0,0,1,0,0|1,0,0]=3 446 B8R1.22 O[C@H]1CCCNCC1 62252 [1,0,0,1,0,0|1,0,0]=3 447 B8R1.49 C1=CCCCCCC1 D89499 [1,0,0,1,0,0|0,0,2]=4 448 B10R1.10 CCCC1CCOC(C)S1 D91574 [0,1,0,1,0,0|1,1,0]=4 449 B10R1.10 CCC[C@H]1CCCC(=O)O1 D70795 [0,1,0,1,0,0|0,0,1]=3 450 B10R1.18 CC(C)NC1CCCCC1 D91133 [0,1,0,1,0,0|2,0,0]=4 451 B10R1.18 CN(C)C[C@H]1CNCCO1 72009 [0,1,0,1,0,0|2,0,0]=4 452 B10R1.18 CN(C)C[C@H]1CNCCO1 AB1402 [0,1,0,1,0,0|2,0,0]=4 453 B10R1.18 C[C@H](Cl)CN1CCCCC1 O10264 [0,1,0,1,0,0|2,0,0]=4 454 B10R1.18 O=C(O)CC1CCCCC1 F11130 [0,1,0,1,0,0|0,0,1]=3 455 B10R1.18 O=C(O)CC1CCNCC1 65126 [0,1,0,1,0,0|1,0,1]=4 456 B10R1.18 O=C(O)CC1CCOCC1 69697 [0,1,0,1,0,0|1,0,1]=4 457 B10R1.18 O=C(O)CN1CCCCC1 29815 [0,1,0,1,0,0|1,0,1]=4 458 B10R1.18 O=C(O)CN1CCCCC1 D83454 [0,1,0,1,0,0|1,0,1]=4 459 B10R1.18 O=C(O)CN1CCCCC1 D97813 [0,1,0,1,0,0|1,0,1]=4 460 B10R1.18 O=C(O)C[C@H]1CCCCO1 AC1470 [0,1,0,1,0,0|1,0,1]=4 461 B10R1.18 O=C(O)C[C@H]1CCCNC1 23614 [0,1,0,1,0,0|1,0,1]=4 462 B10R1.18 O=C(O)C[C@H]1CCCNC1 30799 [0,1,0,1,0,0|1,0,1]=4 463 B10R1.61 CC1NCCCC1C(=O)O C71830 [0,1,0,1,0,0|1,0,1]=4 464 B10R1.61 CN(C)C1CCCCC1O F14640 [0,1,0,1,0,0|1,0,0]=3 465 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N C76115 [0,1,0,1,0,0|2,0,0]=4 466 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1O AT22769 [0,1,0,1,0,0|1,0,0]=3 467 B10R1.61 CN1CCCC[C@H]1C(=O)O 71306 [0,1,0,1,0,0|1,0,1]=4 468 B10R1.61 CN1CCCC[C@H]1C(=O)O W10205 [0,1,0,1,0,0|1,0,1]=4 469 B10R1.61 O=C(O)C1CCCCC1O 26766 [0,1,0,1,0,0|1,0,1]=4 470 B10R1.66 CC(=O)OC[C@H]1CCCO1 F16574 [0,1,0,1,0,0|1,0,1]=4 471 B10R1.66 O=C(Cl)CCC1CCCC1 FD10555 [0,1,0,1,0,0|0,0,2]=4 472 B10R1.66 O=C(O)CCC1CCCC1 73318 [0,1,0,1,0,0|0,0,1]=3 473 B10R1.66 O=C(O)CCN1CCCC1 71482 [0,1,0,1,0,0|1,0,1]=4 474 B10R1.66 O=C(O)COC1CCCC1 30678 [0,1,0,1,0,0|1,0,1]=4 475 B10R1.86 CCCN1CC[C@H]1C(=O)O P15802 [0,1,0,1,0,0|1,0,1]=4 476 B10R1.126 O=C(O)CCCCC1CC1 D84271 [0,1,0,1,0,0|0,0,1]=3 477 B10R1.348 O=C(O)C1CCCCCC1 O11712 [0,1,0,1,0,0|0,0,1]=3 478 B10R1.348 O=C(O)[C@H]1CCCNCC1 37184 [0,1,0,1,0,0|1,0,1]=4 479 B10R1.11 CCOC(=O)[C@@H]1CCCO1 F19887 [0,1,0,1,0,0|1,0,1]=4 480 B10R1.21 BrCCCCC1OCCO1 55379 [0,1,0,1,0,0|1,0,0]=3 481 B10R1.21 CCNCCN1CCCC1 30697 [0,1,0,1,0,0|2,0,0]=4 482 B10R1.21 COCCO[C@H]1CCNC1 63512 [0,1,0,1,0,0|2,0,0]=4 483 B10R1.21 COCCO[C@H]1CCNC1 63515 [0,1,0,1,0,0|2,0,0]=4 484 B10R1.21 COCCO[C@H]1CCNC1 63517 [0,1,0,1,0,0|2,0,0]=4 485 B10R1.21 ClCCCCC1OCCO1 D83601 [0,1,0,1,0,0|1,0,0]=3 486 B10R1.29 CCCCN1CCCC1=O 56158 [0,1,0,1,0,0|0,0,2]=4 487 B10R1.29 O=C1CCCN1CCCO D87262 [0,1,0,1,0,0|1,0,1]=4 488 B10R1.85 ClCCN1CCCCCC1 I11502 [0,1,0,1,0,0|1,0,0]=3 489 B10R1.85 OCCN1CCCCCC1 C10805 [0,1,0,1,0,0|0,0,0]=2 490 B10R1.85 OCCN1CCCNCC1 30104 [0,1,0,1,0,0|1,0,0]=3 491 B10R1.138 CCCC(=O)OC[C@H]1CO1 23071 [0,1,0,1,0,0|1,0,1]=4 492 B10R1.138 CCCC(=O)OC[C@H]1CO1 F20484 [0,1,0,1,0,0|1,0,1]=4 493 B10R1.377 CCC[N+]1(C)CCCCC1 D80435 [0,1,0,1,0,0|2,0,0]=4 494 B10R1.4 CCC[C@H]1CCCCC1=O D92072 [0,1,0,1,0,0|0,0,1]=3 495 B10R1.17 BrCCCN1CCCCC1 A10088 [0,1,0,1,0,0|1,0,0]=3 496 B10R1.17 BrCCCN1CCOCC1 P10896 [0,1,0,1,0,0|2,0,0]=4 497 B10R1.17 BrCCO[C@@H]1CCCCO1 F30079 [0,1,0,1,0,0|1,0,0]=3 498 B10R1.17 C#CCCC1CCCCC1 59502 [0,1,0,1,0,0|1,0,0]=3 499 B10R1.17 C#CCO[C@@H]1CCCCO1 66503 [0,1,0,1,0,0|0,0,2]=4 500 B10R1.17 C=CCO[C@@H]1CCCCO1 C93480 [0,1,0,1,0,0|0,0,2]=4 501 B10R1.17 CCCCN1CCOCC1 23766 [0,1,0,1,0,0|2,0,0]=4 502 B10R1.17 CCCNC1CCOCC1 AB1576 [0,1,0,1,0,0|2,0,0]=4 503 B10R1.17 CCCOC1CCNCC1 V10006 [0,1,0,1,0,0|2,0,0]=4 504 B10R1.17 COCCC1CCNCC1 38532 [0,1,0,1,0,0|1,0,0]=3 505 B10R1.17 COCCN1CCNCC1 64306 [0,1,0,1,0,0|2,0,0]=4 506 B10R1.17 COCCN1CCOCC1 D95625 [0,1,0,1,0,0|2,0,0]=4 507 B10R1.17 ClCCCN1CCCCC1 D70144 [0,1,0,1,0,0|1,0,0]=3 508 B10R1.17 ClCCCN1CCOCC1 57826 [0,1,0,1,0,0|2,0,0]=4 509 B10R1.17 ClCCCN1CCOCC1 W10376 [0,1,0,1,0,0|2,0,0]=4 510 B10R1.17 ClCCO[C@@H]1CCCCO1 D83589 [0,1,0,1,0,0|1,0,0]=3 511 B10R1.17 ICCCN1CCOCC1 D80835 [0,1,0,1,0,0|2,0,0]=4 512 B10R1.17 N#CCC[NH+]1CCCCC1 D89389 [0,1,0,1,0,0|1,0,1]=4 513 B10R1.17 NCCCC1CCCCC1 N10393 [0,1,0,1,0,0|1,0,0]=3 514 B10R1.17 NCCCN1CCCCC1 A10251 [0,1,0,1,0,0|1,0,0]=3 515 B10R1.17 NCCCN1CCOCC1 FD10554 [0,1,0,1,0,0|2,0,0]=4 516 B10R1.17 NCCOC1CCCCC1 31463 [0,1,0,1,0,0|1,0,0]=3 517 B10R1.17 OCCCC1CCCCC1 A10410 [0,1,0,1,0,0|0,0,0]=2 518 B10R1.17 OCCCC1CCNCC1 65242 [0,1,0,1,0,0|0,0,0]=2 519 B10R1.17 OCCCN1CCCCC1 A10134 [0,1,0,1,0,0|0,0,0]=2 520 B10R1.17 OCCCN1CCNCC1 65246 [0,1,0,1,0,0|1,0,0]=3 521 B10R1.17 OCCCN1CCNCC1 76912 [0,1,0,1,0,0|1,0,0]=3 522 B10R1.17 OCCCN1CCOCC1 62894 [0,1,0,1,0,0|1,0,0]=3 523 B10R1.17 OCCNC1CCCCC1 D95373 [0,1,0,1,0,0|0,0,0]=2 524 B10R1.17 OCCOC1CCCCC1 AC7544 [0,1,0,1,0,0|0,0,0]=2 525 B10R1.17 OCCO[C@@H]1CCCCO1 A10671 [0,1,0,1,0,0|1,0,0]=3 526 B10R1.216 CCCC[N+]1(C)CCCC1 AC8746 [0,1,0,1,0,0|2,0,0]=4 527 B10R1.216 CCCC[N+]1(C)CCCC1 D70797 [0,1,0,1,0,0|2,0,0]=4 528 B10R1.216 CCCC[N+]1(C)CCCC1 D83195 [0,1,0,1,0,0|2,0,0]=4 529 B10R1.216 CCCC[N+]1(C)CCCC1 D89008 [0,1,0,1,0,0|2,0,0]=4 530 B10R1.216 CCCC[N+]1(C)CCCC1 D89129 [0,1,0,1,0,0|2,0,0]=4 531 B10R1.7 O[C@H]1CCCCCC[C@H]1O D81840 [0,1,0,1,0,0|0,0,0]=2 532 B10R1.20 CNC1CCCCC1NC 36233 [0,1,0,1,0,0|2,0,0]=4 533 B10R1.20 CN[C@H]1CCCC[C@@H]1NC 66609 [0,1,0,1,0,0|2,0,0]=4 534 B10R1.20 CN[C@H]1CCCC[C@@H]1NC 66621 [0,1,0,1,0,0|2,0,0]=4 535 B10R1.20 CN[C@H]1CCCC[C@@H]1NC 66623 [0,1,0,1,0,0|2,0,0]=4 536 B10R1.20 CN[C@H]1CCCC[C@@H]1NC I11521 [0,1,0,1,0,0|2,0,0]=4 537 B10R1.20 OCC1CCCCC1CO F11582 [0,1,0,1,0,0|0,0,0]=2 538 B10R1.20 OC[C@H]1CCCC[C@@H]1CO 70699 [0,1,0,1,0,0|0,0,0]=2 539 B10R1.20 OC[C@H]1CCCC[C@@H]1CO 70725 [0,1,0,1,0,0|0,0,0]=2 540 B10R1.20 OC[C@H]1CCCC[C@@H]1CO T70670 [0,1,0,1,0,0|0,0,0]=2 541 B10R1.20 OC[C@H]1CCCC[C@H]1CO O11710 [0,1,0,1,0,0|0,0,0]=2 542 B10R1.1 CCCC1CCC(=O)CC1 65224 [0,1,0,1,0,0|1,0,1]=4 543 B10R1.1 CCCC1CCC(O)CC1 23014 [0,1,0,1,0,0|1,0,0]=3 544 B10R1.1 CCCN1CCC(N)CC1 D70056 [0,1,0,1,0,0|2,0,0]=4 545 B10R1.1 CCC[C@H]1CC[C@H](O)CC1 N10575 [0,1,0,1,0,0|1,0,0]=3 546 B10R1.1 CCOC1CCC(N)CC1 D84453 [0,1,0,1,0,0|2,0,0]=4 547 B10R1.1 CN1CCC(CCO)CC1 37199 [0,1,0,1,0,0|1,0,0]=3 548 B10R1.1 CN1CCN(CCO)CC1 62373 [0,1,0,1,0,0|2,0,0]=4 549 B10R1.1 OCCN1CCC(O)CC1 D93319 [0,1,0,1,0,0|1,0,0]=3 550 B10R1.15 CC[C@H](O)C1CCNCC1 F52461 [0,1,0,1,0,0|2,0,0]=4 551 B10R1.15 COC(=O)[C@@H]1CCCCO1 31348 [0,1,0,1,0,0|1,0,1]=4 552 B10R1.15 N[C@@H](CO)C1CCCCC1 F14508 [0,1,0,1,0,0|0,0,0]=2 553 B10R1.15 N[C@@H](CO)C1CCCCC1 F14509 [0,1,0,1,0,0|0,0,0]=2 554 B10R1.15 O=C(CBr)C1CCCCC1 26392 [0,1,0,1,0,0|1,0,1]=4 555 B10R1.27 C[C@H](CO)CN1CCCC1 63878 [0,1,0,1,0,0|1,0,0]=3 556 B10R1.172 NCC1CCCC(CN)C1 D73878 [0,1,0,1,0,0|2,0,0]=4 557 B10R2.7 C1CCC2CNCC2C1 D72858 [0,0,0,2,0,0|1,0,0]=3 558 B10R2.7 C1CCC2CNCC2C1 W10079 [0,0,0,2,0,0|1,0,0]=3 559 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 AC7755 [0,0,0,2,0,0|1,0,0]=3 560 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 F11212 [0,0,0,2,0,0|1,0,0]=3 561 B10R2.7 C1CN[C@H]2CNC[C@H]2C1 36225 [0,0,0,2,0,0|2,0,0]=4 562 B10R2.7 C1CN[C@H]2CNC[C@H]2C1 F15979 [0,0,0,2,0,0|2,0,0]=4 563 B10R2.7 C1CN[C@H]2CNC[C@H]2C1 FD6047 [0,0,0,2,0,0|2,0,0]=4 564 B10R2.7 C1C[C@H]2CNCCN2C1 30840 [0,0,0,2,0,0|2,0,0]=4 565 B10R2.7 C1C[C@H]2CNCCN2C1 38893 [0,0,0,2,0,0|2,0,0]=4 566 B10R2.7 C1C[C@H]2CNCCN2C1 I11570 [0,0,0,2,0,0|2,0,0]=4 567 B10R2.62 N[C@H]1CN2CCC1CC2 29194 [0,0,0,2,0,0|2,0,0]=4 568 B10R2.62 N[C@H]1CN2CCC1CC2 33258 [0,0,0,2,0,0|2,0,0]=4 569 B10R2.62 N[C@H]1CN2CCC1CC2 51006 [0,0,0,2,0,0|2,0,0]=4 570 B10R2.62 O[C@H]1CN2CCC1CC2 65706 [0,0,0,2,0,0|1,0,0]=3 571 B10R2.484 C1CC2(C1)CCNCC2 39201 [0,0,0,2,0,0|2,0,0]=4 572 B10R2.484 C1CC2(CCN1)CCO2 32769 [0,0,0,2,0,0|1,0,0]=3 573 B10R2.484 C1CC2(CCN1)CCO2 38556 [0,0,0,2,0,0|1,0,0]=3 574 B10R2.99 OCC1CC2CCC1C2 77949 [0,0,0,2,0,0|0,0,0]=2 575 B10R2.99 OCC1C[C@@H]2C=C[C@H]1C2 FD14041 [0,0,0,2,0,0|0,0,2]=4 576 B10R2.18 C1=CCCC2OC2CC1 D97444 [0,0,0,2,0,0|0,0,2]=4 577 B10R2.192 C1CC(NC2CCC2)C1 D84486 [0,0,0,2,0,0|2,0,0]=4 578 B10R2.2 NN1CC2CCCC2C1 D70979 [0,0,0,2,0,0|2,0,0]=4