0 B11R0.3 BrCCCCCCCCCCBr Amb2721556 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.3 C#CCCC#CCCCCC=C Amb17779515 [0,0,0,0,0,0|1,0,3]=4 2 B11R0.3 C#CCCCCCCCCCC Amb2721432 [0,0,0,0,0,0|1,0,3]=4 3 B11R0.3 C=CCCCCCCCCC=O Amb8513533 [0,0,0,0,0,0|0,0,0]=0 4 B11R0.3 C=CCCCCCCCCCBr Amb2691196 [0,0,0,0,0,0|1,0,1]=2 5 B11R0.3 C=CCCCCCCCCCC Amb3940486 [0,0,0,0,0,0|1,0,1]=2 6 B11R0.3 C=CCCCCCCCCCCl Amb2721562 [0,0,0,0,0,0|1,0,1]=2 7 B11R0.3 C=CCCCCCCCCCN Amb2721533 [0,0,0,0,0,0|1,0,1]=2 8 B11R0.3 C=CCCCCCCCCCO Amb2721673 [0,0,0,0,0,0|0,0,2]=2 9 B11R0.3 CCCCCCCCCCCBr Amb8514664 [0,0,0,0,0,0|1,0,3]=4 10 B11R0.3 CCCCCCCCCCCC Amb8513157 [0,0,0,0,0,0|1,0,3]=4 11 B11R0.3 CCCCCCCCCCCCl Amb9787117 [0,0,0,0,0,0|1,0,3]=4 12 B11R0.3 CCCCCCCCCCCN Amb3941511 [0,0,0,0,0,0|1,0,3]=4 13 B11R0.3 CCCCCCCCCCCO Amb6646062 [0,0,0,0,0,0|0,0,4]=4 14 B11R0.3 CCCCCCCCCCNC Amb33934687 [0,0,0,0,0,0|2,0,2]=4 15 B11R0.3 CCCCCCCCCCNC Amb9787067 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.3 CCCCCCCC\C=C\C=O Amb22045177 [0,0,0,0,0,0|0,0,4]=4 17 B11R0.3 C\C=C\CCCCCCCCO Amb22641580 [0,0,0,0,0,0|0,0,4]=4 18 B11R0.3 ClCCCCCCCCCCCl Amb8514864 [0,0,0,0,0,0|2,0,2]=4 19 B11R0.3 FCCCCCCCCCCF Amb33756851 [0,0,0,0,0,0|2,0,2]=4 20 B11R0.3 ICCCCCCCCCCI Amb10071532 [0,0,0,0,0,0|2,0,2]=4 21 B11R0.3 N#CCCCCCCCCC#N Amb8516779 [0,0,0,0,0,0|2,0,2]=4 22 B11R0.3 NCCCCCCCCCCN Amb33446968 [0,0,0,0,0,0|2,0,2]=4 23 B11R0.3 NCCCCCCCCCCN Amb798005 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.3 NCCCCCCCCCCO Amb17607975 [0,0,0,0,0,0|1,0,3]=4 25 B11R0.3 NNCCCCCCCCNN Amb33339064 [0,0,0,0,0,0|4,0,0]=4 26 B11R0.3 NNCCCCCCCCNN Amb33465519 [0,0,0,0,0,0|4,0,0]=4 27 B11R0.3 NOCCCCCCCCON Amb33465512 [0,0,0,0,0,0|4,0,0]=4 28 B11R0.3 O=CCCCCCCCCCBr Amb21963218 [0,0,0,0,0,0|1,0,1]=2 29 B11R0.3 OCCCCCCCCCCBr Amb2694963 [0,0,0,0,0,0|1,0,3]=4 30 B11R0.3 OCCCCCCCCCCCl Amb10844747 [0,0,0,0,0,0|1,0,3]=4 31 B11R0.3 OCCCCCCCCCCO Amb2721538 [0,0,0,0,0,0|1,0,3]=4 32 B10R0.71 BrCCCCCCCCCBr Amb8513101 [1,0,0,0,0,0|2,0,1]=4 33 B10R0.71 C#CCCCCCCCCO Amb16231465 [1,0,0,0,0,0|0,0,3]=4 34 B10R0.71 C=CCCCCCCCC=O Amb22734770 [1,0,0,0,0,0|0,0,0]=1 35 B10R0.71 C=CCCCCCCCCBr Amb9786895 [1,0,0,0,0,0|1,0,0]=2 36 B10R0.71 C=CCCCCCCCCN Amb28652858 [1,0,0,0,0,0|1,0,0]=2 37 B10R0.71 C=CCCCCCCCCN Amb32653011 [1,0,0,0,0,0|1,0,0]=2 38 B10R0.71 C=CCCCCCCCCO Amb6364973 [1,0,0,0,0,0|0,0,1]=2 39 B10R0.71 CCCCCCCCCC=O Amb3940437 [1,0,0,0,0,0|0,0,1]=2 40 B10R0.71 CCCCCCCCCCBr Amb2721517 [1,0,0,0,0,0|1,0,2]=4 41 B10R0.71 CCCCCCCCCCCl Amb8513081 [1,0,0,0,0,0|1,0,2]=4 42 B10R0.71 CCCCCCCCCCF Amb2688085 [1,0,0,0,0,0|1,0,2]=4 43 B10R0.71 CCCCCCCCCCI Amb3940280 [1,0,0,0,0,0|1,0,2]=4 44 B10R0.71 CCCCCCCCCCN Amb3940460 [1,0,0,0,0,0|1,0,2]=4 45 B10R0.71 CCCCCCCCCCO Amb3940390 [1,0,0,0,0,0|0,0,3]=4 46 B10R0.71 CCCCCCCCCCS Amb9787174 [1,0,0,0,0,0|0,1,2]=4 47 B10R0.71 CCCCCCCCCNC Amb10609826 [1,0,0,0,0,0|1,0,2]=4 48 B10R0.71 CCCCCCCCCNC Amb7761761 [1,0,0,0,0,0|1,0,2]=4 49 B10R0.71 CCCCCCCCN=C=O Amb3940552 [1,0,0,0,0,0|1,0,2]=4 50 B10R0.71 CCCCCCCCNC=O Amb9787543 [1,0,0,0,0,0|1,0,1]=3 51 B10R0.71 CCCCCCC\C=C\C=O Amb8517160 [1,0,0,0,0,0|0,0,3]=4 52 B10R0.71 CCCCC\C=C\CCC=O Amb33512982 [1,0,0,0,0,0|0,0,3]=4 53 B10R0.71 ClCCCCCCCCCCl Amb8513111 [1,0,0,0,0,0|2,0,1]=4 54 B10R0.71 ICCCCCCCCCI Amb20242392 [1,0,0,0,0,0|2,0,1]=4 55 B10R0.71 N#CCCCCCCCCO Amb22641582 [1,0,0,0,0,0|1,0,2]=4 56 B10R0.71 NCCCCCCCCCN Amb8513818 [1,0,0,0,0,0|2,0,1]=4 57 B10R0.71 NCCCCCCCCCO Amb34183942 [1,0,0,0,0,0|1,0,2]=4 58 B10R0.71 OCCCCCCCCCBr Amb2694968 [1,0,0,0,0,0|1,0,2]=4 59 B10R0.71 OCCCCCCCCCI Amb32410519 [1,0,0,0,0,0|1,0,2]=4 60 B10R0.71 OCCCCCCCCCO Amb2721246 [1,0,0,0,0,0|1,0,2]=4 61 B10R0.71 SCCCCCCCCCS Amb8513270 [1,0,0,0,0,0|1,1,1]=4 62 B12R0.5 C=CCCCCCCCCCCC Amb2721661 [0,1,0,0,0,0|1,0,1]=3 63 B12R0.5 C=CCCCCCCCCCCN Amb24120407 [0,1,0,0,0,0|1,0,1]=3 64 B12R0.5 C=CCNCCCCCCCCC Amb7761762 [0,1,0,0,0,0|1,0,1]=3 65 B12R0.5 C=CCOCCNCCOCC=C Amb22524262 [0,1,0,0,0,0|3,0,0]=4 66 B12R0.5 CCCCCCCCCCCC=O Amb3940434 [0,1,0,0,0,0|0,0,2]=3 67 B12R0.234 C#CCCCCCCCCC(=O)O Amb536933 [0,1,0,0,0,0|0,0,2]=3 68 B12R0.234 C=C(Br)CCCCCCCCCC Amb6298937 [0,1,0,0,0,0|1,0,1]=3 69 B12R0.234 C=C(Cl)CCCCCCCCCC Amb6298931 [0,1,0,0,0,0|1,0,1]=3 70 B12R0.234 C=CCCCCCCCCC(=O)Cl Amb2721637 [0,1,0,0,0,0|0,0,0]=1 71 B12R0.234 C=CCCCCCCCCC(=O)O Amb533736 [0,1,0,0,0,0|0,0,0]=1 72 B12R0.234 CC#CCCCCCCCC(=O)O Amb6565389 [0,1,0,0,0,0|0,0,3]=4 73 B12R0.234 CC(=O)OCCCCCCCCBr Amb24063233 [0,1,0,0,0,0|2,0,1]=4 74 B12R0.234 CCCCCCCCCCC(=O)Cl Amb9787304 [0,1,0,0,0,0|0,0,2]=3 75 B12R0.234 CCCCCCCCCCC(=O)O Amb3941499 [0,1,0,0,0,0|0,0,2]=3 76 B12R0.234 CCCCCCCCCCC(C)=O Amb6366439 [0,1,0,0,0,0|0,0,2]=3 77 B12R0.234 CCCCCCCCCOC(C)=O Amb6366259 [0,1,0,0,0,0|1,0,2]=4 78 B12R0.234 CCCCCCCCOCC(=O)O Amb7790043 [0,1,0,0,0,0|1,0,2]=4 79 B12R0.234 N#CCCCCCCCCC(=O)O Amb4008315 [0,1,0,0,0,0|1,0,1]=3 80 B12R0.234 NCCCCCCCCCC(=O)O Amb2229638 [0,1,0,0,0,0|1,0,1]=3 81 B12R0.234 NCCCCCCCCCC(=O)O Amb31030991 [0,1,0,0,0,0|1,0,1]=3 82 B12R0.234 O=C(O)CCCCCCCC#CBr Amb32422815 [0,1,0,0,0,0|1,0,2]=4 83 B12R0.234 O=C(O)CCCCCCCCCBr Amb4014619 [0,1,0,0,0,0|1,0,1]=3 84 B12R0.234 O=C(O)CCCCCCCCCO Amb3940517 [0,1,0,0,0,0|1,0,1]=3 85 B12R0.234 O=C(O)CCCCCCCN=C=S Amb33471542 [0,1,0,0,0,0|2,0,1]=4 86 B12R0.234 O=C=NCCCCCCCC(=O)O Amb32665820 [0,1,0,0,0,0|2,0,1]=4 87 B12R0.234 [N-]=[N+]=NCCCCCCCC(=O)O Amb34932690 [0,1,0,0,0,0|3,0,0]=4 88 B12R0.248 C=CCCCCCCCC(=O)OC Amb533244 [0,1,0,0,0,0|2,0,1]=4 89 B12R0.248 CCCCCCCCCC(C)C=O Amb3940427 [0,1,0,0,0,0|0,0,2]=3 90 B12R0.248 COC(=O)CCCCCCCC=O Amb8391799 [0,1,0,0,0,0|1,0,2]=4 91 B12R1.8 C=CCSCCC1CCCCN1 Amb17503509 [0,0,0,1,0,0|2,0,1]=4 92 B12R1.8 O=CCCCCC1CCCCC1 Amb33359606 [0,0,0,1,0,0|0,0,2]=3 93 B12R1.18 C#CCCC1CCCCCC1=O Amb27814092 [0,0,0,1,0,0|0,0,2]=3 94 B12R1.18 C#CCCC1CCCCNC1=O Amb27952658 [0,0,0,1,0,0|1,0,2]=4 95 B12R1.18 C#CCCN1CCCCCC1=O Amb27455906 [0,0,0,1,0,0|1,0,2]=4 96 B12R1.18 C=C1CCCCCC1CCCO Amb27457881 [0,0,0,1,0,0|0,0,2]=3 97 B12R1.18 C=CCCC1CCCCCC1O Amb27480225 [0,0,0,1,0,0|0,0,2]=3 98 B12R1.18 C=CCCN1CCCCCC1C Amb27756864 [0,0,0,1,0,0|2,0,1]=4 99 B12R1.18 C=CCC[C@@H]1CCCCC[C@H]1O Amb33213933 [0,0,0,1,0,0|0,0,2]=3 100 B12R1.18 C=CCNC1CCCCCC1Cl Amb28256726 [0,0,0,1,0,0|2,0,1]=4 101 B12R1.18 C=CCNC1CCCCNC1=O Amb6706535 [0,0,0,1,0,0|2,0,0]=3 102 B12R1.18 C=CCOC1CCCCCC1O Amb27206059 [0,0,0,1,0,0|1,0,2]=4 103 B12R1.18 C=CCO[C@@H]1CCCCC[C@@H]1O Amb27653264 [0,0,0,1,0,0|1,0,2]=4 104 B12R1.18 C=CCSC1CCCCNC1=O Amb27588788 [0,0,0,1,0,0|2,0,0]=3 105 B12R1.18 CC1CCCCCN1CCC=O Amb27779071 [0,0,0,1,0,0|1,0,2]=4 106 B12R1.18 CCCCC1CCCCCC1=O Amb18799266 [0,0,0,1,0,0|0,0,2]=3 107 B12R1.18 CCCCC1CCCCNC1=O Amb27770065 [0,0,0,1,0,0|1,0,2]=4 108 B12R1.18 CCOCC1CCCCCC1=O Amb27465325 [0,0,0,1,0,0|1,0,2]=4 109 B12R1.18 CNCCN1CCCCCC1=O Amb18977654 [0,0,0,1,0,0|2,0,1]=4 110 B12R1.18 C\C=C\CC1CCCCNC1=O Amb27615324 [0,0,0,1,0,0|1,0,2]=4 111 B12R1.18 N#CCCN1CCCCCC1=O Amb5720330 [0,0,0,1,0,0|2,0,1]=4 112 B12R1.18 NCCCN1CCCCCC1=O Amb1153735 [0,0,0,1,0,0|2,0,1]=4 113 B12R1.18 NCCCN1CCCCCC1=O Amb28991407 [0,0,0,1,0,0|2,0,1]=4 114 B12R1.18 O=C1CCCCCC1CCCO Amb27614789 [0,0,0,1,0,0|1,0,1]=3 115 B12R1.18 O=C1CCCCCC1C\C=C\Cl Amb28118877 [0,0,0,1,0,0|1,0,1]=3 116 B12R1.18 O=C1NCCCCC1CCCO Amb27157529 [0,0,0,1,0,0|2,0,1]=4 117 B12R1.18 O=CCCC1CCCCCC1=O Amb28123079 [0,0,0,1,0,0|1,0,0]=2 118 B12R1.37 O=CCCCCCC1CCCC1 Amb33380237 [0,0,0,1,0,0|0,0,2]=3 119 B12R1.37 O=CCCCCCN1CCCC1 Amb33274869 [0,0,0,1,0,0|1,0,2]=4 120 B12R1.37 O=CCCCCCc1ccsc1 Amb33320896 [0,0,0,1,0,0|1,0,2]=4 121 B12R1.37 O=CCCCCCn1cccn1 Amb32727337 [0,0,0,1,0,0|2,0,1]=4 122 B12R1.52 C=CCC1CCCCCCC1O Amb27604455 [0,0,0,1,0,0|0,0,2]=3 123 B12R1.52 C=CC[C@@H]1CCCCCC[C@H]1O Amb27457903 [0,0,0,1,0,0|0,0,2]=3 124 B12R1.52 N#CCC1CCCCCCC1=O Amb28058875 [0,0,0,1,0,0|1,0,1]=3 125 B12R1.52 O=CCC1CCCCCCC1=O Amb27830090 [0,0,0,1,0,0|1,0,0]=2 126 B12R1.52 [N-]=[N+]=NC1CCCCCCC1=O Amb27794754 [0,0,0,1,0,0|3,0,0]=4 127 B12R1.73 [N-]=[N+]=C1CCCCCCCC1=O Amb17594137 [0,0,0,1,0,0|2,0,1]=4 128 B12R1.121 C=CC1CCCCN1C\C=C\C Amb28064698 [0,0,0,1,0,0|2,0,1]=4 129 B12R1.121 C=CCSC1CCCCC1C#N Amb27980785 [0,0,0,1,0,0|2,0,1]=4 130 B12R1.150 C=C1CCCCCCCCC1O Amb27432139 [0,0,0,1,0,0|0,0,2]=3 131 B12R1.150 C[C@@H]1CCCCCCCNC1=O Amb28047251 [0,0,0,1,0,0|1,0,2]=4 132 B12R1.150 C[C@H]1CCCCCCCNC1=O Amb28059295 [0,0,0,1,0,0|1,0,2]=4 133 B12R1.150 O=C1CCCC=CCCCC1=O Amb28253988 [0,0,0,1,0,0|1,0,2]=4 134 B12R1.150 O=C1CCCCCCCCC1=O Amb17594209 [0,0,0,1,0,0|1,0,0]=2 135 B12R1.150 O=C1CCCCCCCCC1Br Amb28244232 [0,0,0,1,0,0|1,0,1]=3 136 B12R1.150 O=C1CCCCCCCCC1Cl Amb27233508 [0,0,0,1,0,0|1,0,1]=3 137 B12R1.150 O=C1CCCCCCCCC1F Amb27828822 [0,0,0,1,0,0|1,0,1]=3 138 B12R1.150 O=C1CCCCCCCCC1O Amb4017052 [0,0,0,1,0,0|1,0,1]=3 139 B12R1.150 O=C1NCCCCCCCC1Br Amb27410410 [0,0,0,1,0,0|2,0,1]=4 140 B12R1.150 O=C1NCCCCCCNC1=O Amb27178124 [0,0,0,1,0,0|3,0,0]=4 141 B12R1.169 C#CCN1CCCCC1CC=O Amb28241397 [0,0,0,1,0,0|1,0,2]=4 142 B12R1.169 C=C=CC1CCCCC1CC=O Amb27177462 [0,0,0,1,0,0|0,0,2]=3 143 B12R1.169 C=CCC1CCCCC1N=C=S Amb30017038 [0,0,0,1,0,0|1,1,1]=4 144 B12R1.169 C=CCC1CCCCC1NC#N Amb30016958 [0,0,0,1,0,0|2,0,1]=4 145 B12R1.169 C=CCC1CCCCC1NC=O Amb35719495 [0,0,0,1,0,0|1,0,0]=2 146 B12R1.169 C=COC1CCCCC1NC=O Amb27633196 [0,0,0,1,0,0|2,0,0]=3 147 B12R1.169 O=CNC1CCCCC1NC=O Amb27409124 [0,0,0,1,0,0|3,0,0]=4 148 B12R1.169 O=C\C=C1/CCCCC1CC=O Amb28187824 [0,0,0,1,0,0|1,0,2]=4 149 B12R1.215 O=C1C=CCCC=CCCCC1 Amb28198631 [0,0,0,1,0,0|0,0,2]=3 150 B12R1.215 O=C1CCCCCCCCCC1 Amb2778534 [0,0,0,1,0,0|0,0,2]=3 151 B12R1.215 O=C1CCCCCCCCCN1 Amb26068652 [0,0,0,1,0,0|1,0,1]=3 152 B12R1.215 O=C1CCCCCOCCCC1 Amb27177976 [0,0,0,1,0,0|1,0,2]=4 153 B12R1.215 O=C1CCNCCCCCCN1 Amb25704380 [0,0,0,1,0,0|2,0,1]=4 154 B12R1.267 C#CCCCC1CCCCC1=O Amb27175821 [0,0,0,1,0,0|0,0,2]=3 155 B12R1.267 C#CCCCC1CCCNC1=O Amb27603127 [0,0,0,1,0,0|1,0,2]=4 156 B12R1.267 C#CCCCC1CNCCC1=O Amb27976717 [0,0,0,1,0,0|1,0,2]=4 157 B12R1.267 C=C=CCCC1CCCCC1=O Amb28053969 [0,0,0,1,0,0|0,0,2]=3 158 B12R1.267 C=CC#CCC1CCCCC1=O Amb28243852 [0,0,0,1,0,0|0,0,2]=3 159 B12R1.267 C=CCCCC1CCCCC1=O Amb17594142 [0,0,0,1,0,0|0,0,0]=1 160 B12R1.267 C=CCCCC1CCCCC1O Amb33213369 [0,0,0,1,0,0|0,0,2]=3 161 B12R1.267 C=CCCC[C@@H]1CCCC[C@H]1O Amb32945331 [0,0,0,1,0,0|0,0,2]=3 162 B12R1.267 C=CCC\C=C1/CCCNC1=O Amb28060138 [0,0,0,1,0,0|1,0,2]=4 163 B12R1.267 C=CCC\C=C1\CCCNC1=O Amb27856116 [0,0,0,1,0,0|1,0,2]=4 164 B12R1.267 C=C\C=C\CC1CCCCC1=O Amb26909709 [0,0,0,1,0,0|0,0,2]=3 165 B12R1.267 CC#CCCC1CCCCC1=O Amb27256491 [0,0,0,1,0,0|0,0,3]=4 166 B12R1.267 CCCCCC1CCCCC1=O Amb18788895 [0,0,0,1,0,0|0,0,2]=3 167 B12R1.267 CN1CCCCC1CCCC=O Amb33322453 [0,0,0,1,0,0|1,0,1]=3 168 B12R1.267 C\C=C\CCC1CCCCC1=O Amb26592783 [0,0,0,1,0,0|0,0,2]=3 169 B12R1.267 C\C=C\COC1CCCCC1=O Amb25179608 [0,0,0,1,0,0|1,0,2]=4 170 B12R1.267 N#CCCCC1CCCCC1=O Amb18646376 [0,0,0,1,0,0|1,0,1]=3 171 B12R1.267 NCCCCN1CCCCC1=O Amb6751260 [0,0,0,1,0,0|2,0,1]=4 172 B12R1.267 O=C1CCCCC1CNCCBr Amb1146038 [0,0,0,1,0,0|2,0,1]=4 173 B12R1.267 O=C1CCCCC1CNCCBr Amb2602398 [0,0,0,1,0,0|2,0,1]=4 174 B12R1.267 O=CNCCN1CCCCC1=O Amb29868921 [0,0,0,1,0,0|3,0,0]=4 175 B12R1.267 O=C\C=C\CC1CCCCC1=O Amb26019665 [0,0,0,1,0,0|1,0,2]=4 176 B12R1.272 C=CCCCCCOC1CNC1 Amb32941472 [0,0,0,1,0,0|3,0,0]=4 177 B12R1.281 C=CCC1CCCCCC1NC Amb18799003 [0,0,0,1,0,0|2,0,0]=3 178 B12R1.281 C=CCN1CCCCCC1CBr Amb27468425 [0,0,0,1,0,0|2,0,1]=4 179 B12R1.281 C=CCN1CCCCCC1CO Amb27881501 [0,0,0,1,0,0|1,0,2]=4 180 B12R1.329 C=CCCC1=CCCCCCC1 Amb30012337 [0,0,0,1,0,0|1,0,2]=4 181 B12R1.329 C=CCNC1CCCCCCC1 Amb32652162 [0,0,0,1,0,0|2,0,1]=4 182 B12R1.329 C=CCNC1CCCCCCC1 Amb6683796 [0,0,0,1,0,0|2,0,1]=4 183 B12R1.329 CCCNC1C=CCCCCC1 Amb27770740 [0,0,0,1,0,0|2,0,1]=4 184 B12R1.329 O=CCCC1C=CCCCCC1 Amb28255663 [0,0,0,1,0,0|0,0,0]=1 185 B12R1.372 CCCCCCC1CCCC1=O Amb621142 [0,0,0,1,0,0|0,0,2]=3 186 B12R1.372 CCCCCCN1CCCC1=O Amb8387412 [0,0,0,1,0,0|1,0,2]=4 187 B12R1.372 CN1CCCC1CCCCC=O Amb33320354 [0,0,0,1,0,0|1,0,1]=3 188 B12R1.399 O=CN1CCCCCCC1CO Amb27179762 [0,0,0,1,0,0|2,0,1]=4 189 B12R1.550 C1=CCCCCCCCCCC1 Amb534273 [0,0,0,1,0,0|1,0,1]=3 190 B12R1.550 C1=CCCCCCCCCCC1 Amb9787102 [0,0,0,1,0,0|1,0,1]=3 191 B12R1.1414 O=CCCCC1CCCCCC1 Amb32880555 [0,0,0,1,0,0|0,0,2]=3 192 B9R0.45 BrCCCCCCCCBr Amb2725461 [2,0,0,0,0,0|2,0,0]=4 193 B9R0.45 C#CCCCCCCC=C Amb27268975 [2,0,0,0,0,0|0,0,2]=4 194 B9R0.45 C#CCCCCCCCC Amb2721541 [2,0,0,0,0,0|0,0,2]=4 195 B9R0.45 C=CCCCCCCC#N Amb6298893 [2,0,0,0,0,0|1,0,1]=4 196 B9R0.45 C=CCCCCCCC=C Amb2721547 [2,0,0,0,0,0|0,0,1]=3 197 B9R0.45 C=CCCCCCCC=O Amb28193259 [2,0,0,0,0,0|0,0,0]=2 198 B9R0.45 C=CCCCCCCCBr Amb19895211 [2,0,0,0,0,0|1,0,0]=3 199 B9R0.45 C=CCCCCCCCC Amb3940503 [2,0,0,0,0,0|0,0,0]=2 200 B9R0.45 C=CCCCCCCCCl Amb6298880 [2,0,0,0,0,0|1,0,0]=3 201 B9R0.45 C=CCCCCCCCN Amb24763980 [2,0,0,0,0,0|1,0,0]=3 202 B9R0.45 C=CCCCCCCCN Amb32653343 [2,0,0,0,0,0|1,0,0]=3 203 B9R0.45 C=CCCCCCCCO Amb22733549 [2,0,0,0,0,0|0,0,1]=3 204 B9R0.45 C=CCCCCCCNC Amb28120535 [2,0,0,0,0,0|1,0,0]=3 205 B9R0.45 C=CCCCCCSCC Amb27396740 [2,0,0,0,0,0|1,0,0]=3 206 B9R0.45 C=CCCCCNCCC Amb26576689 [2,0,0,0,0,0|1,0,0]=3 207 B9R0.45 C=CCCCC\C=C\C=O Amb17593510 [2,0,0,0,0,0|0,0,2]=4 208 B9R0.45 C=CCCCNCCC=C Amb28313958 [2,0,0,0,0,0|1,0,1]=4 209 B9R0.45 C=CCCCNCCCC Amb27799206 [2,0,0,0,0,0|1,0,0]=3 210 B9R0.45 C=CCCCNCCNC Amb27466769 [2,0,0,0,0,0|2,0,0]=4 211 B9R0.45 C=CCCCSCCOC Amb27424920 [2,0,0,0,0,0|2,0,0]=4 212 B9R0.45 C=CCCNCCCCC Amb27838999 [2,0,0,0,0,0|1,0,0]=3 213 B9R0.45 C=CCCNCCCCO Amb28141464 [2,0,0,0,0,0|1,0,1]=4 214 B9R0.45 C=CCCNCCCOC Amb28126721 [2,0,0,0,0,0|2,0,0]=4 215 B9R0.45 C=CCCNCCCSC Amb27838985 [2,0,0,0,0,0|2,0,0]=4 216 B9R0.45 C=CCCNCCOCC Amb28126723 [2,0,0,0,0,0|2,0,0]=4 217 B9R0.45 C=CCCOCCCNC Amb27768715 [2,0,0,0,0,0|2,0,0]=4 218 B9R0.45 C=CCCSCCCOC Amb28280277 [2,0,0,0,0,0|2,0,0]=4 219 B9R0.45 C=CCCSCCSCC Amb27197363 [2,0,0,0,0,0|2,0,0]=4 220 B9R0.45 C=CCC\C=C\CCC=O Amb25770517 [2,0,0,0,0,0|0,0,2]=4 221 B9R0.45 C=CCNCCCCCC Amb7756950 [2,0,0,0,0,0|1,0,0]=3 222 B9R0.45 C=CCNCCCCCF Amb27219940 [2,0,0,0,0,0|2,0,0]=4 223 B9R0.45 C=CCNCCCCNC Amb27251520 [2,0,0,0,0,0|2,0,0]=4 224 B9R0.45 C=CCOCCCCCC Amb17933923 [2,0,0,0,0,0|1,0,0]=3 225 B9R0.45 C=CCOCCCSCC Amb28187852 [2,0,0,0,0,0|2,0,0]=4 226 B9R0.45 C=CCOCCNCCC Amb27866133 [2,0,0,0,0,0|2,0,0]=4 227 B9R0.45 C=CCSCCCCCBr Amb27985767 [2,0,0,0,0,0|2,0,0]=4 228 B9R0.45 C=CCSCCCCCC Amb22733767 [2,0,0,0,0,0|1,0,0]=3 229 B9R0.45 C=CCSCCCCCF Amb28315981 [2,0,0,0,0,0|2,0,0]=4 230 B9R0.45 C=CCSCCCCCN Amb28435037 [2,0,0,0,0,0|2,0,0]=4 231 B9R0.45 C=CCSCCCCCS Amb27828255 [2,0,0,0,0,0|1,1,0]=4 232 B9R0.45 C=CCSCCCCNC Amb28397579 [2,0,0,0,0,0|2,0,0]=4 233 B9R0.45 C=CCSCCCCOC Amb27599202 [2,0,0,0,0,0|2,0,0]=4 234 B9R0.45 C=CC\C=C/CCCCC Amb27423727 [2,0,0,0,0,0|0,0,2]=4 235 B9R0.45 C=CC\C=C\CCCCC Amb27629643 [2,0,0,0,0,0|0,0,2]=4 236 B9R0.45 C=COCCCCCCO Amb26931083 [2,0,0,0,0,0|1,0,1]=4 237 B9R0.45 C=COCCNCCCC Amb28364273 [2,0,0,0,0,0|2,0,0]=4 238 B9R0.45 C=C\C=C/CCCCCC Amb22641680 [2,0,0,0,0,0|0,0,2]=4 239 B9R0.45 CC#CCCCCCC=O Amb28198592 [2,0,0,0,0,0|0,0,2]=4 240 B9R0.45 CCCCC#CCCC=O Amb27790685 [2,0,0,0,0,0|0,0,2]=4 241 B9R0.45 CCCCCCCCC#N Amb7764626 [2,0,0,0,0,0|1,0,1]=4 242 B9R0.45 CCCCCCCCCBr Amb3940224 [2,0,0,0,0,0|1,0,1]=4 243 B9R0.45 CCCCCCCCCC Amb7757835 [2,0,0,0,0,0|0,0,2]=4 244 B9R0.45 CCCCCCCCCCl Amb6652537 [2,0,0,0,0,0|1,0,1]=4 245 B9R0.45 CCCCCCCCCF Amb8515361 [2,0,0,0,0,0|1,0,1]=4 246 B9R0.45 CCCCCCCCCI Amb3940284 [2,0,0,0,0,0|1,0,1]=4 247 B9R0.45 CCCCCCCCCN Amb3987584 [2,0,0,0,0,0|1,0,1]=4 248 B9R0.45 CCCCCCCCCO Amb3940342 [2,0,0,0,0,0|0,0,2]=4 249 B9R0.45 CCCCCCCCC[Mg+] Amb22351330 [2,0,0,0,0,0|1,0,1]=4 250 B9R0.45 CCCCCCCCNC Amb7757640 [2,0,0,0,0,0|1,0,1]=4 251 B9R0.45 CCCCCCCCNN Amb7786451 [2,0,0,0,0,0|2,0,0]=4 252 B9R0.45 CCCCCCCCNO Amb28069968 [2,0,0,0,0,0|1,0,1]=4 253 B9R0.45 CCCCCCCCON Amb2818885 [2,0,0,0,0,0|2,0,0]=4 254 B9R0.45 CCCCCCCCSC Amb10553780 [2,0,0,0,0,0|1,0,1]=4 255 B9R0.45 CCCCCCCN=C=O Amb3940866 [2,0,0,0,0,0|1,0,1]=4 256 B9R0.45 CCCCCCCNC=O Amb27170738 [2,0,0,0,0,0|1,0,0]=3 257 B9R0.45 CCCCCCCOC=O Amb9787223 [2,0,0,0,0,0|1,0,0]=3 258 B9R0.45 CCCCCCOCC=O Amb26624223 [2,0,0,0,0,0|1,0,0]=3 259 B9R0.45 CCCCCC\C=C\C=O Amb24061310 [2,0,0,0,0,0|0,0,2]=4 260 B9R0.45 CCCCCOCCC=O Amb27628424 [2,0,0,0,0,0|1,0,0]=3 261 B9R0.45 CCCC\C=C\CCC=O Amb27966384 [2,0,0,0,0,0|0,0,2]=4 262 B9R0.45 CCCOCCCNC=O Amb27453700 [2,0,0,0,0,0|2,0,0]=4 263 B9R0.45 CCC\C=C\CCCC=O Amb33361614 [2,0,0,0,0,0|0,0,2]=4 264 B9R0.45 CCOCCCCNC=O Amb27634560 [2,0,0,0,0,0|2,0,0]=4 265 B9R0.45 CCOCCOCCC=O Amb27167183 [2,0,0,0,0,0|2,0,0]=4 266 B9R0.45 CSCCCCCNC=O Amb27165514 [2,0,0,0,0,0|2,0,0]=4 267 B9R0.45 C\C=C/CCCCCCC Amb26019969 [2,0,0,0,0,0|0,0,2]=4 268 B9R0.45 ClCCCCCCCCCl Amb2721447 [2,0,0,0,0,0|2,0,0]=4 269 B9R0.45 FCCCCCCCCBr Amb27265588 [2,0,0,0,0,0|2,0,0]=4 270 B9R0.45 FCCCCCCCCCl Amb28067739 [2,0,0,0,0,0|2,0,0]=4 271 B9R0.45 FCCCCCCCCF Amb22641491 [2,0,0,0,0,0|2,0,0]=4 272 B9R0.45 N#CCCCCCCC=O Amb26516252 [2,0,0,0,0,0|1,0,1]=4 273 B9R0.45 NCCCCCCCCN Amb8387247 [2,0,0,0,0,0|2,0,0]=4 274 B9R0.45 NCCCCCCCCO Amb24116967 [2,0,0,0,0,0|1,0,1]=4 275 B9R0.45 NCCCCCCNC=O Amb28251393 [2,0,0,0,0,0|2,0,0]=4 276 B9R0.45 NCCCNCCCC=O Amb27489145 [2,0,0,0,0,0|2,0,0]=4 277 B9R0.45 O=CCCCCCCC=O Amb27836602 [2,0,0,0,0,0|1,0,0]=3 278 B9R0.45 O=CCCCCCCCF Amb25075653 [2,0,0,0,0,0|1,0,0]=3 279 B9R0.45 O=CCCCCCCCO Amb25765567 [2,0,0,0,0,0|1,0,0]=3 280 B9R0.45 OCCCCCCCCBr Amb4296902 [2,0,0,0,0,0|1,0,1]=4 281 B9R0.45 OCCCCCCCCCl Amb6366711 [2,0,0,0,0,0|1,0,1]=4 282 B9R0.45 OCCCCCCCCF Amb25330666 [2,0,0,0,0,0|1,0,1]=4 283 B9R0.45 OCCCCCCCCI Amb32411246 [2,0,0,0,0,0|1,0,1]=4 284 B9R0.45 OCCCCCCCCO Amb8383419 [2,0,0,0,0,0|1,0,1]=4 285 B9R0.45 OCCCCCCCCS Amb28046913 [2,0,0,0,0,0|1,0,1]=4 286 B9R0.45 [NH3+]CCCCCCCC[NH3+] Amb16234024 [2,0,0,0,0,0|2,0,0]=4 287 B11R0.40 C=CS(=O)CCCCCCCC Amb1032994 [1,1,0,0,0,0|1,0,1]=4 288 B11R0.140 C=CCCCN(C)CCCCN Amb33033519 [1,1,0,0,0,0|2,0,0]=4 289 B11R0.148 C#CCCCCCCCC(=O)O Amb22388895 [1,1,0,0,0,0|0,0,2]=4 290 B11R0.148 C=C(Br)CCCCCCCCC Amb6298936 [1,1,0,0,0,0|0,0,1]=3 291 B11R0.148 C=C(C)CCCCCCCC#N Amb6298909 [1,1,0,0,0,0|1,0,1]=4 292 B11R0.148 C=C(C)CCCCCCCCC Amb6298942 [1,1,0,0,0,0|0,0,1]=3 293 B11R0.148 C=C(Cl)CCCCCCCCC Amb6298930 [1,1,0,0,0,0|0,0,1]=3 294 B11R0.148 C=CCCCCCCCC(=O)O Amb2686677 [1,1,0,0,0,0|0,0,0]=2 295 B11R0.148 C=CCCOCCCCC(=O)O Amb33531508 [1,1,0,0,0,0|1,0,0]=3 296 B11R0.148 CC(=O)OCCCCCCC=O Amb22364796 [1,1,0,0,0,0|1,0,1]=4 297 B11R0.148 CCCCCCCCCC(=O)Cl Amb8513576 [1,1,0,0,0,0|0,0,1]=3 298 B11R0.148 CCCCCCCCCC(=O)O Amb5718031 [1,1,0,0,0,0|0,0,1]=3 299 B11R0.148 CCCCCCCCCC(C)=O Amb6307417 [1,1,0,0,0,0|0,0,1]=3 300 B11R0.148 CCCCCCCCCC(N)=O Amb6366435 [1,1,0,0,0,0|0,0,1]=3 301 B11R0.148 CCCCCCCCCC(N)=S Amb7794719 [1,1,0,0,0,0|0,1,1]=4 302 B11R0.148 CCCCCCCCCS(=O)Cl Amb32720537 [1,1,0,0,0,0|1,0,1]=4 303 B11R0.148 CCCCCCCCCS(=O)[O-] Amb32755589 [1,1,0,0,0,0|1,0,1]=4 304 B11R0.148 CCCCCCCCCS(N)=O Amb32720538 [1,1,0,0,0,0|1,0,1]=4 305 B11R0.148 CCCCCCCCNC(C)=O Amb33551736 [1,1,0,0,0,0|1,0,1]=4 306 B11R0.148 CCCCCCCCOC(=O)Cl Amb8515453 [1,1,0,0,0,0|1,0,1]=4 307 B11R0.148 CCCCCCCCOC(C)=O Amb8515405 [1,1,0,0,0,0|1,0,1]=4 308 B11R0.148 CCCCCCCNCC(=O)O Amb19373457 [1,1,0,0,0,0|1,0,1]=4 309 B11R0.148 CCCCCCCNCC(=O)O Amb8827566 [1,1,0,0,0,0|1,0,1]=4 310 B11R0.148 CCCCCCNCCC(=O)O Amb8830823 [1,1,0,0,0,0|1,0,1]=4 311 B11R0.148 CCCCSCCCCC(=O)O Amb1032990 [1,1,0,0,0,0|1,0,1]=4 312 B11R0.148 NCCCCSCCCC(=O)O Amb17500972 [1,1,0,0,0,0|2,0,0]=4 313 B11R0.148 O=C(O)CCCCCCCCBr Amb8631538 [1,1,0,0,0,0|1,0,0]=3 314 B11R0.148 O=C(O)CCCCCCCCO Amb3372037 [1,1,0,0,0,0|1,0,0]=3 315 B13R0.2 CCCCCCCCCC(C)CC=O Amb33421993 [0,2,0,0,0,0|0,0,2]=4 316 B13R0.335 CCCCCCCCC(C)CC(=O)O Amb28653289 [0,2,0,0,0,0|0,0,2]=4 317 B13R0.54 C=CCCCCCCCCCC(=O)O Amb6296074 [0,2,0,0,0,0|0,0,0]=2 318 B13R0.54 C=CCCCCCCCCOC(C)=O Amb10563791 [0,2,0,0,0,0|0,0,0]=2 319 B13R0.54 CCCCCCCCCCCC(=O)Cl Amb3940238 [0,2,0,0,0,0|0,0,2]=4 320 B13R0.54 CCCCCCCCCCCC(=O)O Amb2708779 [0,2,0,0,0,0|0,0,2]=4 321 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb22729066 [0,2,0,0,0,0|0,0,2]=4 322 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb8516675 [0,2,0,0,0,0|0,0,2]=4 323 B13R0.54 CCCCCCCCCCCC(N)=O Amb4008368 [0,2,0,0,0,0|0,0,2]=4 324 B13R0.54 CCCCCCCCCCOC(=O)Cl Amb22337976 [0,2,0,0,0,0|0,0,2]=4 325 B13R0.54 CCCCCCCCSCCC(=O)O Amb1038994 [0,2,0,0,0,0|0,0,2]=4 326 B13R0.54 CCCCCNCCCCCC(=O)O Amb32410634 [0,2,0,0,0,0|0,0,2]=4 327 B13R0.54 CCCCSCCCCCCC(=O)O Amb1036584 [0,2,0,0,0,0|0,0,2]=4 328 B13R0.54 N#CCCCCCCCCCC(=O)O Amb22547629 [0,2,0,0,0,0|0,0,2]=4 329 B13R0.54 NCCCCCCCCCCC(=O)Cl Amb17143769 [0,2,0,0,0,0|0,0,2]=4 330 B13R0.54 NCCCCCCCCCCC(=O)O Amb3940461 [0,2,0,0,0,0|0,0,2]=4 331 B13R0.54 O=C(O)CCCCCCCCCCBr Amb639361 [0,2,0,0,0,0|0,0,2]=4 332 B13R0.54 O=C(O)CCCCCCCCCCCl Amb534918 [0,2,0,0,0,0|0,0,2]=4 333 B13R0.54 O=C(O)CCCCCCCCCCO Amb1814707 [0,2,0,0,0,0|0,0,2]=4 334 B13R0.54 O=C(O)CCCCCCCCCCS Amb584507 [0,2,0,0,0,0|0,0,2]=4 335 B13R0.54 [N-]=[N+]=NCCCCCCCCC(=O)O Amb34913620 [0,2,0,0,0,0|2,0,0]=4 336 B13R0.147 C=CCCCCCCCCC(=O)NN Amb6393023 [0,2,0,0,0,0|0,0,0]=2 337 B13R0.147 C=CCCCCCCCCC(=O)OC Amb612439 [0,2,0,0,0,0|0,0,0]=2 338 B13R0.147 CCCCCCCCCCC(=O)NN Amb534278 [0,2,0,0,0,0|0,0,2]=4 339 B13R0.147 CCCCCCCCCCC(=O)OC Amb9787313 [0,2,0,0,0,0|0,0,2]=4 340 B13R0.147 CCCCCCCCCCC(C)C=O Amb32671323 [0,2,0,0,0,0|0,0,2]=4 341 B13R0.147 COC(=O)CCCCCCCCC=O Amb9787740 [0,2,0,0,0,0|0,0,1]=3 342 B13R0.147 COC(=O)CCCCCCCCCBr Amb3941556 [0,2,0,0,0,0|1,0,1]=4 343 B13R0.147 COC(=O)CCCCCCCCCN Amb32680801 [0,2,0,0,0,0|1,0,1]=4 344 B13R0.147 COC(=O)CCCCCCCCCN Amb33330795 [0,2,0,0,0,0|1,0,1]=4 345 B13R0.147 C\C=C\CCCCCCCC(=O)OC Amb22641574 [0,2,0,0,0,0|0,0,2]=4 346 B13R0.336 C=CCSCCCCCCCCCC Amb9787753 [0,2,0,0,0,0|1,0,1]=4 347 B13R0.336 CCCCCCCCCC\C=C\C#N Amb6600578 [0,2,0,0,0,0|1,0,1]=4 348 B13R0.336 O=CCCCCCCCCCCC=O Amb33456151 [0,2,0,0,0,0|0,0,1]=3 349 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] Amb19148937 [0,2,0,0,0,0|0,0,2]=4 350 B13R0.150 CCCCCCCCCC(C)C(=O)O Amb18320092 [0,2,0,0,0,0|0,0,2]=4 351 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O Amb34139108 [0,2,0,0,0,0|0,0,2]=4 352 B13R0.150 CCCCCCCCC[C@H](N)C(=O)O Amb34152043 [0,2,0,0,0,0|0,0,2]=4 353 B13R0.179 CC(Br)CCCCCCCCC(=O)O Amb8487858 [0,2,0,0,0,0|0,0,2]=4 354 B13R0.179 NC(=O)CCCCCCCCC(N)=O Amb6366826 [0,2,0,0,0,0|1,0,0]=3 355 B13R0.179 O=C(Cl)CCCCCCCCC(=O)Cl Amb6608951 [0,2,0,0,0,0|1,0,0]=3 356 B13R0.179 O=C(O)CCCCCCCCC(=O)O Amb4037061 [0,2,0,0,0,0|1,0,0]=3 357 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] Amb22168122 [0,2,0,0,0,0|1,0,0]=3 358 B13R0.202 O=C(O)CCCCCCCC(F)CBr Amb22547613 [0,2,0,0,0,0|1,0,1]=4 359 B11R1.4 O=CCCCCC1CCCC1 Amb33358714 [1,0,0,1,0,0|0,0,1]=3 360 B11R1.4 O=CCCCCN1CCCC1 Amb33225870 [1,0,0,1,0,0|1,0,1]=4 361 B11R1.4 O=CNCCCC1CCCN1 Amb27989289 [1,0,0,1,0,0|2,0,0]=4 362 B11R1.5 C=C1CCCCCC1CCO Amb27829924 [1,0,0,1,0,0|0,0,1]=3 363 B11R1.5 C=CCC1CC=CCCC1=O Amb27261916 [1,0,0,1,0,0|0,0,2]=4 364 B11R1.5 C=CCC1CCCCCC1=O Amb18181756 [1,0,0,1,0,0|0,0,0]=2 365 B11R1.5 C=CCC1CCCCCC1Cl Amb18185761 [1,0,0,1,0,0|1,0,0]=3 366 B11R1.5 C=CCC1CCCCCC1O Amb18182944 [1,0,0,1,0,0|0,0,1]=3 367 B11R1.5 C=CCC1CCCCNC1=N Amb27823146 [1,0,0,1,0,0|2,0,0]=4 368 B11R1.5 C=CCC1CCCCNC1=O Amb27869951 [1,0,0,1,0,0|1,0,0]=3 369 B11R1.5 C=CCC1CCCCNC1=S Amb27605894 [1,0,0,1,0,0|1,1,0]=4 370 B11R1.5 C=CCC1NCCCOC1=O Amb28251286 [1,0,0,1,0,0|2,0,0]=4 371 B11R1.5 C=CCC1OCCCCC1O Amb28350359 [1,0,0,1,0,0|1,0,1]=4 372 B11R1.5 C=CCN1CCCNCC1=O Amb25876935 [1,0,0,1,0,0|2,0,0]=4 373 B11R1.5 C=CCN1CCNCCC1=O Amb27481370 [1,0,0,1,0,0|2,0,0]=4 374 B11R1.5 C=CC[C@@H]1CCCCC[C@H]1O Amb25968545 [1,0,0,1,0,0|0,0,1]=3 375 B11R1.5 C=CC[C@@H]1OCCCC[C@@H]1O Amb27213807 [1,0,0,1,0,0|1,0,1]=4 376 B11R1.5 C=C\C=C1/CCCCCC1=O Amb28383036 [1,0,0,1,0,0|0,0,2]=4 377 B11R1.5 NCCC1CCCCCC1=O Amb18200342 [1,0,0,1,0,0|1,0,0]=3 378 B11R1.5 NCCN1CCCCCC1=O Amb10610308 [1,0,0,1,0,0|2,0,0]=4 379 B11R1.5 NCCN1CCCCCC1=O Amb6252150 [1,0,0,1,0,0|2,0,0]=4 380 B11R1.5 NCCN1CCCCCC1=O Amb7969849 [1,0,0,1,0,0|2,0,0]=4 381 B11R1.5 O=C1CCCCCC1CCO Amb27395084 [1,0,0,1,0,0|1,0,0]=3 382 B11R1.5 O=C1CCCCCN1CCO Amb9370344 [1,0,0,1,0,0|2,0,0]=4 383 B11R1.5 O=C1NCCCCC1CCO Amb26456499 [1,0,0,1,0,0|2,0,0]=4 384 B11R1.5 O=CCC1OCCCCC1O Amb28350808 [1,0,0,1,0,0|2,0,0]=4 385 B11R1.5 O=COC1CCCCCC1Cl Amb27444181 [1,0,0,1,0,0|2,0,0]=4 386 B11R1.17 C#CCCC1CCCCC1=C Amb27827906 [1,0,0,1,0,0|0,0,2]=4 387 B11R1.17 C=C1CCCCC1CCC=O Amb28239533 [1,0,0,1,0,0|0,0,0]=2 388 B11R1.17 C=C1CCCCC1CCCBr Amb27654983 [1,0,0,1,0,0|1,0,0]=3 389 B11R1.17 C=CCCC1=CCCCC1=O Amb27227100 [1,0,0,1,0,0|0,0,2]=4 390 B11R1.17 C=CCCC1CCCCC1Br Amb28079317 [1,0,0,1,0,0|1,0,0]=3 391 B11R1.17 C=CCCC1CCCCC1O Amb25227048 [1,0,0,1,0,0|0,0,1]=3 392 B11R1.17 C=CCC[C@@H]1CCCC[C@H]1O Amb27793096 [1,0,0,1,0,0|0,0,1]=3 393 B11R1.17 C=CCNC1CCCCC1C Amb4304020 [1,0,0,1,0,0|1,0,1]=4 394 B11R1.17 C=CCNC1CCCCC1N Amb27476204 [1,0,0,1,0,0|2,0,0]=4 395 B11R1.17 C=CCN[C@@H]1CCCC[C@@H]1C Amb27633906 [1,0,0,1,0,0|1,0,1]=4 396 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1O Amb25774282 [1,0,0,1,0,0|1,0,1]=4 397 B11R1.17 C=CCN[C@H]1CCCC[C@H]1C Amb27462045 [1,0,0,1,0,0|1,0,1]=4 398 B11R1.17 C=CCOC1CCCCC1Br Amb27176337 [1,0,0,1,0,0|2,0,0]=4 399 B11R1.17 C=CCOC1CCCCC1Cl Amb27617495 [1,0,0,1,0,0|2,0,0]=4 400 B11R1.17 C=CCOC1CCCCC1N Amb27241113 [1,0,0,1,0,0|2,0,0]=4 401 B11R1.17 C=CCOC1COCCC1=O Amb27662157 [1,0,0,1,0,0|2,0,0]=4 402 B11R1.17 C=CCO[C@@H]1CCCC[C@@H]1O Amb27211315 [1,0,0,1,0,0|1,0,1]=4 403 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1Br Amb28053494 [1,0,0,1,0,0|2,0,0]=4 404 B11R1.17 C=CCSC1CCCNC1=O Amb28129106 [1,0,0,1,0,0|2,0,0]=4 405 B11R1.17 C=CCS[C@@H]1CCCC[C@H]1O Amb28139989 [1,0,0,1,0,0|1,0,1]=4 406 B11R1.17 C=C\C=C\C1CCCCC1=O Amb28142263 [1,0,0,1,0,0|0,0,2]=4 407 B11R1.17 CC1=C(CCC=O)CCCC1 Amb27592943 [1,0,0,1,0,0|0,0,2]=4 408 B11R1.17 CC1CCCCC1OCC=O Amb18183071 [1,0,0,1,0,0|1,0,1]=4 409 B11R1.17 CCCCC1CCCCC1=O Amb3940594 [1,0,0,1,0,0|0,0,1]=3 410 B11R1.17 CCOCC1CCCCC1=O Amb27399156 [1,0,0,1,0,0|1,0,1]=4 411 B11R1.17 CN1CCCCC1CCC=O Amb33322456 [1,0,0,1,0,0|1,0,1]=4 412 B11R1.17 COCC[C@H]1CCCCC1=O Amb27974073 [1,0,0,1,0,0|1,0,1]=4 413 B11R1.17 N#CCCC1CCCCC1=O Amb2720475 [1,0,0,1,0,0|1,0,1]=4 414 B11R1.17 NCCCC1CCCCC1=O Amb18251486 [1,0,0,1,0,0|1,0,0]=3 415 B11R1.17 NCCCC1CCCNC1=O Amb27863499 [1,0,0,1,0,0|2,0,0]=4 416 B11R1.17 NCCCN1CCCCC1=O Amb6751261 [1,0,0,1,0,0|2,0,0]=4 417 B11R1.17 O=C1CCCCC1CCCO Amb27481191 [1,0,0,1,0,0|1,0,0]=3 418 B11R1.17 O=C1CCCCN1CCCCl Amb6751295 [1,0,0,1,0,0|2,0,0]=4 419 B11R1.17 O=C1CCCCN1CCCO Amb9370460 [1,0,0,1,0,0|2,0,0]=4 420 B11R1.17 O=C1CCOCC1CCCF Amb27640843 [1,0,0,1,0,0|2,0,0]=4 421 B11R1.17 O=C1CCOCC1CCCO Amb28284744 [1,0,0,1,0,0|2,0,0]=4 422 B11R1.17 O=C1NCCCC1CCCO Amb25978142 [1,0,0,1,0,0|2,0,0]=4 423 B11R1.17 O=C1OCCCC1CCCI Amb27261546 [1,0,0,1,0,0|2,0,0]=4 424 B11R1.17 O=CCCC1CCCCC1O Amb27166081 [1,0,0,1,0,0|1,0,0]=3 425 B11R1.17 O=CCCC1CCCOC1=O Amb28320351 [1,0,0,1,0,0|2,0,0]=4 426 B11R1.17 O=CCCN1CCCCC1=O Amb18177406 [1,0,0,1,0,0|2,0,0]=4 427 B11R1.17 O=CNCC1CCCCC1=O Amb28120357 [1,0,0,1,0,0|2,0,0]=4 428 B11R1.18 C#CCCC1CCCC1C=O Amb27442997 [1,0,0,1,0,0|0,0,2]=4 429 B11R1.18 C#CCC[C@@H]1CCC[C@H]1C=O Amb28143047 [1,0,0,1,0,0|0,0,2]=4 430 B11R1.18 C=CC1CCCN1CCCC Amb25383205 [1,0,0,1,0,0|1,0,1]=4 431 B11R1.18 C=CCCC1CCCC1NC Amb27271588 [1,0,0,1,0,0|1,0,1]=4 432 B11R1.18 C=CCCN1CCCC1CN Amb27673299 [1,0,0,1,0,0|2,0,0]=4 433 B11R1.18 C=CCCN1CCCC1CO Amb27271574 [1,0,0,1,0,0|1,0,1]=4 434 B11R1.18 C=CCCN1CCC[C@@H]1CO Amb27670886 [1,0,0,1,0,0|1,0,1]=4 435 B11R1.18 C=CCCN1CCC[C@H]1C=O Amb25382181 [1,0,0,1,0,0|1,0,0]=3 436 B11R1.18 C=CCCN1CCC[C@H]1CO Amb27670881 [1,0,0,1,0,0|1,0,1]=4 437 B11R1.18 C=CCNC1CCCC1CCl Amb27492478 [1,0,0,1,0,0|2,0,0]=4 438 B11R1.18 C=CCNC1CCCC1CN Amb27271607 [1,0,0,1,0,0|2,0,0]=4 439 B11R1.18 C=CCNC1CCCC1CO Amb27492472 [1,0,0,1,0,0|1,0,1]=4 440 B11R1.18 C=CCOC1CCCC1CN Amb27271605 [1,0,0,1,0,0|2,0,0]=4 441 B11R1.18 C=CCSC1CCCC1CN Amb27492187 [1,0,0,1,0,0|2,0,0]=4 442 B11R1.18 C=C\C=C/[C@@H]1CCC[C@@H]1C=O Amb27449251 [1,0,0,1,0,0|0,0,2]=4 443 B11R1.18 CCCC[C@H]1OCC[C@@H]1C=O Amb24765269 [1,0,0,1,0,0|1,0,1]=4 444 B11R1.18 CCCC[C@H]1OCC[C@H]1C=O Amb24765268 [1,0,0,1,0,0|1,0,1]=4 445 B11R1.18 COC1CCCC1CCC=O Amb28079946 [1,0,0,1,0,0|1,0,1]=4 446 B11R1.26 C=C1CCCCCCC1CO Amb27765896 [1,0,0,1,0,0|0,0,1]=3 447 B11R1.26 C=CC1OCCCCCC1O Amb27219659 [1,0,0,1,0,0|1,0,1]=4 448 B11R1.26 CCC1CCCCCCC1=O Amb28284886 [1,0,0,1,0,0|0,0,1]=3 449 B11R1.26 C\C=C1\CCCCCCC1=O Amb25967372 [1,0,0,1,0,0|0,0,2]=4 450 B11R1.26 N#CC1CCCCCCC1=O Amb27954163 [1,0,0,1,0,0|1,0,1]=4 451 B11R1.26 NCN1CCCCCCC1=O Amb28436920 [1,0,0,1,0,0|2,0,0]=4 452 B11R1.26 N\C=C1\CCCCCCC1=O Amb24723926 [1,0,0,1,0,0|1,0,1]=4 453 B11R1.26 O=C1CCCCCCN1CCl Amb8844104 [1,0,0,1,0,0|2,0,0]=4 454 B11R1.26 O=C1CCCCCCN1CO Amb8844103 [1,0,0,1,0,0|2,0,0]=4 455 B11R1.26 O=C1CCCCCC\C1=C/O Amb22520392 [1,0,0,1,0,0|1,0,1]=4 456 B11R1.26 O=C1CCCCCC\C1=C\Cl Amb24519274 [1,0,0,1,0,0|1,0,1]=4 457 B11R1.26 O=C1CCCCCC\C1=C\O Amb24662269 [1,0,0,1,0,0|1,0,1]=4 458 B11R1.26 O=CC1=C(Cl)CCCCCC1 Amb26404217 [1,0,0,1,0,0|1,0,1]=4 459 B11R1.26 O=CC1CCCCCCC1=O Amb27863967 [1,0,0,1,0,0|1,0,0]=3 460 B11R1.26 O=CN1CCCCCCC1=O Amb27200407 [1,0,0,1,0,0|2,0,0]=4 461 B11R1.28 C=CCCCC1CCCCC1 Amb24117204 [1,0,0,1,0,0|0,0,1]=3 462 B11R1.28 C=CCCCC1CCCCN1 Amb27271589 [1,0,0,1,0,0|1,0,0]=3 463 B11R1.28 C=CCCCC1OCCCO1 Amb28388099 [1,0,0,1,0,0|1,0,1]=4 464 B11R1.28 C=CCCCN1CCCCC1 Amb27986500 [1,0,0,1,0,0|1,0,1]=4 465 B11R1.28 C=CCCCN1CCCCN1 Amb27671785 [1,0,0,1,0,0|2,0,0]=4 466 B11R1.28 C=CCCNC1CCCCC1 Amb10559348 [1,0,0,1,0,0|1,0,1]=4 467 B11R1.28 C=CCCOC1CCCCO1 Amb9134800 [1,0,0,1,0,0|1,0,1]=4 468 B11R1.28 C=CCNCC1=CCCCC1 Amb27673996 [1,0,0,1,0,0|1,0,1]=4 469 B11R1.28 C=CCNCC1CCCCC1 Amb6683817 [1,0,0,1,0,0|1,0,1]=4 470 B11R1.28 C=CCSCC1CCCCN1 Amb27492206 [1,0,0,1,0,0|2,0,0]=4 471 B11R1.28 C=COCCC1=CCCCC1 Amb28388070 [1,0,0,1,0,0|1,0,1]=4 472 B11R1.28 FCCCNC1C=CCCC1 Amb27987678 [1,0,0,1,0,0|2,0,0]=4 473 B11R1.28 O=CCCCC1=COCCC1 Amb33424235 [1,0,0,1,0,0|1,0,1]=4 474 B11R1.28 O=CCCCC1CC=CCC1 Amb33375581 [1,0,0,1,0,0|0,0,2]=4 475 B11R1.28 O=CCCCC1CCCCC1 Amb26998071 [1,0,0,1,0,0|0,0,1]=3 476 B11R1.28 O=CCCCC1CCCCO1 Amb25385814 [1,0,0,1,0,0|1,0,0]=3 477 B11R1.28 O=CCCCC1CCCOC1 Amb33323158 [1,0,0,1,0,0|1,0,1]=4 478 B11R1.28 O=CCCCC1CCCSC1 Amb32726172 [1,0,0,1,0,0|1,0,1]=4 479 B11R1.28 O=CCCCC1CCOCC1 Amb26076142 [1,0,0,1,0,0|1,0,1]=4 480 B11R1.28 O=CNCCC1=CCCCC1 Amb2780720 [1,0,0,1,0,0|1,0,1]=4 481 B11R1.28 O=CNCCC1CCCCC1 Amb28293397 [1,0,0,1,0,0|1,0,1]=4 482 B11R1.28 OCCCCC1C=CCCO1 Amb27989629 [1,0,0,1,0,0|1,0,1]=4 483 B11R1.28 OCCCNC1C=CCCC1 Amb27271277 [1,0,0,1,0,0|1,0,1]=4 484 B11R1.41 C=CC1CC=CCC1CC=O Amb27823437 [1,0,0,1,0,0|0,0,2]=4 485 B11R1.41 C=CC1CCCCN1CC=O Amb27446649 [1,0,0,1,0,0|1,0,0]=3 486 B11R1.41 C=CC1CCCCN1CCC Amb28453966 [1,0,0,1,0,0|1,0,1]=4 487 B11R1.41 C=CC1CCCCN1CCI Amb27467164 [1,0,0,1,0,0|2,0,0]=4 488 B11R1.41 C=CC1CCCCN1CCO Amb27472730 [1,0,0,1,0,0|1,0,1]=4 489 B11R1.41 C=CC1CNCCC1CCCl Amb27445053 [1,0,0,1,0,0|2,0,0]=4 490 B11R1.41 C=CCC1CCCCC1NC Amb18993613 [1,0,0,1,0,0|1,0,1]=4 491 B11R1.41 C=CCC1CCCCN1C=O Amb26366793 [1,0,0,1,0,0|1,0,0]=3 492 B11R1.41 C=CCN1CCCCC1CO Amb18183002 [1,0,0,1,0,0|1,0,1]=4 493 B11R1.41 C=COC1CCCCC1CC Amb27757966 [1,0,0,1,0,0|1,0,1]=4 494 B11R1.41 C=C[C@@H]1CCCC[C@H]1CC=O Amb27447266 [1,0,0,1,0,0|0,0,0]=2 495 B11R1.41 CCC1CCCCN1CC=O Amb18799608 [1,0,0,1,0,0|1,0,1]=4 496 B11R1.41 CCCC1CCCCN1C=O Amb24523123 [1,0,0,1,0,0|1,0,1]=4 497 B11R1.41 CCCC1OCCCC1C=O Amb28132010 [1,0,0,1,0,0|1,0,1]=4 498 B11R1.41 CCN1CCCCC1CC=O Amb27958566 [1,0,0,1,0,0|1,0,1]=4 499 B11R1.41 CCSC1CCCCC1C=O Amb27431708 [1,0,0,1,0,0|1,0,1]=4 500 B11R1.41 C\C=C/[C@@H]1CCCC[C@H]1C=O Amb25956926 [1,0,0,1,0,0|0,0,2]=4 501 B11R1.41 O=CCN1CCCCC1CO Amb18799800 [1,0,0,1,0,0|2,0,0]=4 502 B11R1.41 O=CC[C@@H]1CCCC[C@@H]1C=O Amb28131369 [1,0,0,1,0,0|1,0,0]=3 503 B11R1.41 O=CN1CCCCC1CCCl Amb26642972 [1,0,0,1,0,0|2,0,0]=4 504 B11R1.41 O=CNC1CCCCC1CO Amb27235336 [1,0,0,1,0,0|2,0,0]=4 505 B11R1.51 CCC1CCCCCC1C=O Amb35725693 [1,0,0,1,0,0|0,0,1]=3 506 B11R1.51 CCN1CCCCCC1C=O Amb28135545 [1,0,0,1,0,0|1,0,1]=4 507 B11R1.51 O=CN1CCCCCC1CO Amb26932888 [1,0,0,1,0,0|2,0,0]=4 508 B11R1.85 NC1CCCCCCNC1=O Amb27640572 [1,0,0,1,0,0|2,0,0]=4 509 B11R1.99 C=CCCCCCCC1CO1 Amb8515343 [1,0,0,1,0,0|0,0,1]=3 510 B11R1.99 O=CCCCCCCC1CC1 Amb33167104 [1,0,0,1,0,0|0,0,1]=3 511 B11R1.101 ClC1C=CCCCCCCC1 Amb28285392 [1,0,0,1,0,0|1,0,0]=3 512 B11R1.101 O=C1C=CCCCCCCC1 Amb28254479 [1,0,0,1,0,0|0,0,0]=2 513 B11R1.101 O=C1CC=CCCCCCC1 Amb26880464 [1,0,0,1,0,0|0,0,2]=4 514 B11R1.101 O=C1CCCCCCCCC1 Amb2778532 [1,0,0,1,0,0|0,0,1]=3 515 B11R1.101 O=C1CCCCCCCCN1 Amb4034840 [1,0,0,1,0,0|1,0,0]=3 516 B11R1.101 O=C1CCNCCCCCN1 Amb32679586 [1,0,0,1,0,0|2,0,0]=4 517 B11R1.101 O=C1CNCCCCCCN1 Amb28044832 [1,0,0,1,0,0|2,0,0]=4 518 B11R1.101 O[C@H]1C=CCCCCCCC1 Amb28206118 [1,0,0,1,0,0|0,0,1]=3 519 B11R1.101 S=C1CCCCCCCCN1 Amb27636863 [1,0,0,1,0,0|1,1,0]=4 520 B11R1.109 C=CCC1CCCC1CC=O Amb27986653 [1,0,0,1,0,0|0,0,0]=2 521 B11R1.109 C=CCN1CCCC1CCBr Amb27987121 [1,0,0,1,0,0|2,0,0]=4 522 B11R1.109 C=CCN1CCCC1CCO Amb27987145 [1,0,0,1,0,0|1,0,1]=4 523 B11R1.109 C=C\C=C1\CCCC1CC=O Amb26068525 [1,0,0,1,0,0|0,0,2]=4 524 B11R1.109 O=CCN1CCCC1CCO Amb27987139 [1,0,0,1,0,0|2,0,0]=4 525 B11R1.117 C=CCC1=CCCCCCC1 Amb27465994 [1,0,0,1,0,0|0,0,1]=3 526 B11R1.117 C=CCN1CCCCCCC1 Amb27632227 [1,0,0,1,0,0|1,0,1]=4 527 B11R1.117 CNCC1C=CCCCCC1 Amb28206523 [1,0,0,1,0,0|1,0,1]=4 528 B11R1.117 Cl\C=C/C1C=CCCCCC1 Amb27760441 [1,0,0,1,0,0|1,0,1]=4 529 B11R1.180 C=CCCCC1=CCCC1=O Amb27672596 [1,0,0,1,0,0|0,0,2]=4 530 B11R1.180 C=CCCCC1CCCC1=O Amb27271584 [1,0,0,1,0,0|0,0,0]=2 531 B11R1.180 C=CCCCC1CCCC1Br Amb27271586 [1,0,0,1,0,0|1,0,0]=3 532 B11R1.180 C=CCCCC1CCCC1Cl Amb27271585 [1,0,0,1,0,0|1,0,0]=3 533 B11R1.180 C=CCCCC1CCCC1N Amb27271587 [1,0,0,1,0,0|1,0,0]=3 534 B11R1.180 C=CCCCC1CCCC1O Amb24762973 [1,0,0,1,0,0|0,0,1]=3 535 B11R1.180 C=CCCCC1CNCC1O Amb32950583 [1,0,0,1,0,0|1,0,1]=4 536 B11R1.180 C=CCCCC1COCC1O Amb32950216 [1,0,0,1,0,0|1,0,1]=4 537 B11R1.180 C=CCCCN1CCCC1C Amb28326413 [1,0,0,1,0,0|1,0,1]=4 538 B11R1.180 C=CCCC[C@@H]1CCCC1=O Amb28080270 [1,0,0,1,0,0|0,0,0]=2 539 B11R1.180 C=CCCC[C@@H]1CCC[C@@H]1O Amb27989516 [1,0,0,1,0,0|0,0,1]=3 540 B11R1.180 C=CCCC[C@@H]1CCC[C@H]1O Amb26999456 [1,0,0,1,0,0|0,0,1]=3 541 B11R1.180 C=CCCC[C@@H]1CNC[C@H]1O Amb33212961 [1,0,0,1,0,0|1,0,1]=4 542 B11R1.180 C=CCCC[C@@H]1COC[C@H]1O Amb32950763 [1,0,0,1,0,0|1,0,1]=4 543 B11R1.180 C=CCCNC1CCCC1C Amb27266961 [1,0,0,1,0,0|1,0,1]=4 544 B11R1.180 C=CCCN[C@@H]1CCC[C@H]1O Amb27266973 [1,0,0,1,0,0|1,0,1]=4 545 B11R1.180 C=CCCN[C@H]1CCC[C@@H]1O Amb28079994 [1,0,0,1,0,0|1,0,1]=4 546 B11R1.180 C=CCNCC1CCCC1Cl Amb27271600 [1,0,0,1,0,0|2,0,0]=4 547 B11R1.180 C=CCNCC1CCCC1O Amb27271602 [1,0,0,1,0,0|1,0,1]=4 548 B11R1.180 C=CCOC[C@@H]1CCCC1=O Amb25382187 [1,0,0,1,0,0|1,0,0]=3 549 B11R1.180 C=CCOC[C@H]1CCCC1=O Amb27672521 [1,0,0,1,0,0|1,0,0]=3 550 B11R1.180 CC1OCCC1CCCC=O Amb33426812 [1,0,0,1,0,0|1,0,1]=4 551 B11R1.180 CCCCCC1CCCC1=O Amb534714 [1,0,0,1,0,0|0,0,1]=3 552 B11R1.180 CCCCCC1COCC1=O Amb27672690 [1,0,0,1,0,0|1,0,1]=4 553 B11R1.180 CCCCCN1CCCC1=O Amb20621968 [1,0,0,1,0,0|1,0,1]=4 554 B11R1.180 CCCOCC1CCCC1=O Amb27987801 [1,0,0,1,0,0|1,0,1]=4 555 B11R1.180 CCSCCC1CCCC1=O Amb27269774 [1,0,0,1,0,0|1,0,1]=4 556 B11R1.180 CN1CCCC1CCCC=O Amb33320340 [1,0,0,1,0,0|1,0,1]=4 557 B11R1.180 N#CCCCC1CCCC1=O Amb25717939 [1,0,0,1,0,0|1,0,1]=4 558 B11R1.180 NCCCCN1CCCC1=O Amb6244615 [1,0,0,1,0,0|2,0,0]=4 559 B11R1.180 O=C1CCCC1CCCCBr Amb27672177 [1,0,0,1,0,0|1,0,0]=3 560 B11R1.180 O=C1CCCC1CCCCF Amb27267015 [1,0,0,1,0,0|1,0,0]=3 561 B11R1.180 O=C1CCCC1CCCCO Amb27986534 [1,0,0,1,0,0|1,0,0]=3 562 B11R1.180 O=C1CCCC1SCCCO Amb27271109 [1,0,0,1,0,0|2,0,0]=4 563 B11R1.180 O=C1CCCN1CCCCBr Amb33545934 [1,0,0,1,0,0|2,0,0]=4 564 B11R1.180 O=C1CCCN1CCCCCl Amb18184015 [1,0,0,1,0,0|2,0,0]=4 565 B11R1.180 O=C1CSCC1CCCCF Amb27267016 [1,0,0,1,0,0|2,0,0]=4 566 B11R1.180 O=C1OCCC1CCCCO Amb27989920 [1,0,0,1,0,0|2,0,0]=4 567 B11R1.180 O=CCCCC1CCOC1=O Amb27673678 [1,0,0,1,0,0|2,0,0]=4 568 B11R1.181 C=CCCCN1CCC1CN Amb33252359 [1,0,0,1,0,0|2,0,0]=4 569 B11R1.203 C=CCCC1=CCCCCC1 Amb35711416 [1,0,0,1,0,0|0,0,1]=3 570 B11R1.203 C=CCCC1CCCCCC1 Amb29865043 [1,0,0,1,0,0|0,0,1]=3 571 B11R1.203 C=CCNC1CCCCCC1 Amb6683795 [1,0,0,1,0,0|1,0,1]=4 572 B11R1.203 O=CCCC1C=CCCCC1 Amb27176435 [1,0,0,1,0,0|0,0,0]=2 573 B11R1.203 O=CCCC1CCCCCC1 Amb26946978 [1,0,0,1,0,0|0,0,1]=3 574 B11R1.203 O=CCOC1CCCCCC1 Amb18183074 [1,0,0,1,0,0|1,0,1]=4 575 B11R1.203 O=CNCC1CCCCCC1 Amb28193191 [1,0,0,1,0,0|1,0,1]=4 576 B11R1.203 OCCC[C@H]1C=CCCCC1 Amb27662385 [1,0,0,1,0,0|0,0,1]=3 577 B11R1.248 C=CC1CCCCNCCC1 Amb27635206 [1,0,0,1,0,0|1,0,1]=4 578 B11R1.248 O=CC1=CCCCCCCC1 Amb25172766 [1,0,0,1,0,0|0,0,1]=3 579 B11R1.248 O=CC1CCCCCCCC1 Amb27215402 [1,0,0,1,0,0|0,0,1]=3 580 B13R1.6 CCCCCCC1CCCC(=O)O1 Amb9825889 [0,1,0,1,0,0|0,0,2]=4 581 B13R1.6 N#CCCCCC1CCCC(=O)C1 Amb6302009 [0,1,0,1,0,0|1,0,1]=4 582 B13R1.279 O=C1C=CCCCCCCCC=C1 Amb28141306 [0,1,0,1,0,0|0,0,1]=3 583 B13R1.279 O=C1CCC=CC=CCCCCC1 Amb27212505 [0,1,0,1,0,0|1,0,1]=4 584 B13R1.279 O=C1CCCCCCCCCCC1 Amb1935123 [0,1,0,1,0,0|0,0,2]=4 585 B13R1.279 O=C1CCCCCCCCCCN1 Amb22011853 [0,1,0,1,0,0|0,0,2]=4 586 B13R1.279 O=C1CNCCCCCCCCN1 Amb27240963 [0,1,0,1,0,0|1,0,1]=4 587 B13R1.289 CC1CCCCCCCCC(=O)N1 Amb28365005 [0,1,0,1,0,0|0,0,2]=4 588 B13R1.463 C=CCC(C)C1CCCCCC1O Amb32945165 [0,1,0,1,0,0|0,0,2]=4 589 B13R1.463 C=CCC(C)[C@@H]1CCCCC[C@H]1O Amb32950288 [0,1,0,1,0,0|0,0,2]=4 590 B13R1.463 C=CCC(O)C1CCCCCC1N Amb35622444 [0,1,0,1,0,0|1,0,1]=4 591 B13R1.603 C=CC1CCCCCCC=CC1O Amb27605344 [0,1,0,1,0,0|0,0,2]=4 592 B13R1.603 C=C[C@@H]1CCCCCCC=C[C@@H]1O Amb27853925 [0,1,0,1,0,0|0,0,2]=4 593 B13R1.603 [N-]=[N+]=C1CCCCCCCCC1=O Amb17594627 [0,1,0,1,0,0|1,0,0]=3 594 B13R1.654 CCCCCCCC1CCCC1=O Amb533700 [0,1,0,1,0,0|0,0,2]=4 595 B13R1.1293 C=CCC1(O)CCCCCC1CC Amb35721146 [0,1,0,1,0,0|1,0,1]=4 596 B13R1.1293 CCC1CCCCCC1(O)CC=O Amb35725689 [0,1,0,1,0,0|0,0,2]=4 597 B13R1.1464 C=CCC(N)C1CCCCCCC1 Amb27794115 [0,1,0,1,0,0|1,0,1]=4 598 B13R1.1464 C=CCC(O)C1CCCCCCC1 Amb28125228 [0,1,0,1,0,0|1,0,1]=4 599 B13R1.1464 CCCC(N)C1C=CCCCCC1 Amb29870017 [0,1,0,1,0,0|1,0,1]=4 600 B13R1.1464 O=CCC(O)C1CCCCCCC1 Amb28453617 [0,1,0,1,0,0|0,0,2]=4 601 B13R1.3516 C=CCC[C@H]1CCC[C@@H](O)[C@H]1C#N Amb28053748 [0,1,0,1,0,0|1,0,1]=4 602 B13R1.3516 N#C[C@@H]1[C@@H](O)CCC[C@@H]1CCC=O Amb28429535 [0,1,0,1,0,0|1,0,1]=4 603 B13R1.9128 C=CCC1(O)CCC=CCCC1=O Amb25839767 [0,1,0,1,0,0|0,0,2]=4 604 B13R1.9128 C=CCC1(O)CCCCCCC1=O Amb24417193 [0,1,0,1,0,0|0,0,0]=2 605 B13R1.34 C#CCCCN1CCCCCC1=O Amb27164338 [0,1,0,1,0,0|0,0,2]=4 606 B13R1.34 C=CCCCC1CCCCCC1O Amb32944831 [0,1,0,1,0,0|0,0,2]=4 607 B13R1.34 C=CCCC[C@@H]1CCCCC[C@H]1O Amb32944362 [0,1,0,1,0,0|0,0,2]=4 608 B13R1.84 C\C=C\C=C\C1CCCCC1C=O Amb27227075 [0,1,0,1,0,0|0,0,2]=4 609 B13R1.154 C=CCOC1CCC=CCCC1=O Amb25046109 [0,1,0,1,0,0|0,0,2]=4 610 B13R1.154 C=CCOC1CCCCCCC1N Amb35710305 [0,1,0,1,0,0|1,0,1]=4 611 B13R1.154 C=CCSC1CCCCCCC1N Amb27592675 [0,1,0,1,0,0|1,0,1]=4 612 B13R1.154 CCCCC1C=CCCCCC1O Amb27605305 [0,1,0,1,0,0|1,0,1]=4 613 B13R1.154 N#CCCC1CCCCCCC1=O Amb27599377 [0,1,0,1,0,0|0,0,2]=4 614 B13R1.203 O=C1CCCCCCCCCC1O Amb28282020 [0,1,0,1,0,0|0,0,2]=4 615 B13R1.378 C#CCN1CCCCCCCC1=O Amb35644112 [0,1,0,1,0,0|0,0,2]=4 616 B13R1.378 N#CCN1CCCCCCCC1=O Amb35704241 [0,1,0,1,0,0|1,0,1]=4 617 B13R1.378 O=C1CCCCCCCN1CCBr Amb30013843 [0,1,0,1,0,0|1,0,1]=4 618 B13R1.378 O=C1CCCCCCCN1CCCl Amb30013842 [0,1,0,1,0,0|1,0,1]=4 619 B13R1.378 O=C1CCCCCCCN1CCS Amb30014000 [0,1,0,1,0,0|1,0,1]=4 620 B13R1.378 O=CCN1CCCCCCCC1=O Amb35594927 [0,1,0,1,0,0|1,0,0]=3 621 B13R1.485 C\C=C\C=C1/CCCCC1CC=O Amb27622144 [0,1,0,1,0,0|0,0,2]=4 622 B13R1.485 N#CCCC1CCCCC1NC=O Amb18128763 [0,1,0,1,0,0|1,0,1]=4 623 B13R1.485 N#CCC[C@@H]1CCCC[C@H]1NC=O Amb27462204 [0,1,0,1,0,0|1,0,1]=4 624 B13R1.570 C=CCSC1CCCCCC1C#N Amb27668312 [0,1,0,1,0,0|1,0,1]=4 625 B13R1.623 OCC1C=CCCCCCCCC1 Amb27651764 [0,1,0,1,0,0|0,0,2]=4 626 B13R1.659 O=CCCCCCCCCC1CC1 Amb33167105 [0,1,0,1,0,0|0,0,2]=4 627 B13R1.1150 C\C=C\CNC1C=CCCCCC1 Amb27660139 [0,1,0,1,0,0|1,0,1]=4 628 B13R1.486 O=C1CCCCCC(CCCO)N1 Amb18191307 [0,1,0,1,0,0|1,0,1]=4 629 B13R1.1627 C=C1CCCCC(O)C1CCCC Amb27456456 [0,1,0,1,0,0|1,0,1]=4 630 B13R1.1627 C=C1CCCC[C@@H](O)[C@@H]1CCCC Amb27792971 [0,1,0,1,0,0|1,0,1]=4 631 B13R1.3803 O=C1CCCCCC(O)CCCO1 Amb28205496 [0,1,0,1,0,0|1,0,1]=4 632 B13R1.1927 CC1CCC(=O)N(CCC=O)CC1 Amb28366131 [0,1,0,1,0,0|2,0,0]=4 633 B13R1.1944 C[C@]1(CCC#N)CCCCC1C=O Amb28201058 [0,1,0,1,0,0|1,0,1]=4 634 B13R1.1958 C=CCCC1(O)CCCCCC1C Amb35721278 [0,1,0,1,0,0|1,0,1]=4 635 B13R1.1958 CC1CCCCCC1(O)CCC=O Amb35725692 [0,1,0,1,0,0|0,0,2]=4 636 B13R1.1959 C=CCCC1(N)CCCCCCC1 Amb35615128 [0,1,0,1,0,0|1,0,1]=4 637 B13R1.90 C\C=C1\CCCCC1CCC(=O)O Amb27649352 [0,1,0,1,0,0|0,0,2]=4 638 B13R1.158 CC(=O)NCCC1CCCCC1=O Amb28287293 [0,1,0,1,0,0|1,0,1]=4 639 B13R1.158 CC(C)=CCCC1CCCCC1=O Amb30023746 [0,1,0,1,0,0|0,0,2]=4 640 B13R1.158 CN1CCCCC1CCCC(=O)O Amb33322459 [0,1,0,1,0,0|1,0,1]=4 641 B13R1.158 O=C(O)CCCC1CCCCC1=O Amb17594755 [0,1,0,1,0,0|1,0,0]=3 642 B13R1.158 O=C(O)CCCN1CCCCC1=O Amb6751285 [0,1,0,1,0,0|2,0,0]=4 643 B13R1.167 CN1CCCC1CCCCC(=O)O Amb33320357 [0,1,0,1,0,0|1,0,1]=4 644 B13R1.224 C=CCC1CCCCCC1C(=O)O Amb28423343 [0,1,0,1,0,0|0,0,0]=2 645 B13R1.280 C=C(C)CCC1CCCCCC1N Amb27865273 [0,1,0,1,0,0|1,0,1]=4 646 B13R1.280 C=C(C)CCC1CCCCCC1O Amb26330320 [0,1,0,1,0,0|0,0,2]=4 647 B13R1.280 C=C(C)CC[C@@H]1CCCCC[C@H]1O Amb33213344 [0,1,0,1,0,0|0,0,2]=4 648 B13R1.280 C=C(C)CNC1CCCCNC1=O Amb28072598 [0,1,0,1,0,0|2,0,0]=4 649 B13R1.280 CC(=O)CCN1CCCCCC1=O Amb27608223 [0,1,0,1,0,0|1,0,1]=4 650 B13R1.280 CC(=O)CSC1CCCCCC1=O Amb28283835 [0,1,0,1,0,0|1,0,1]=4 651 B13R1.280 CN1CCCCCC1CCC(=O)O Amb18191306 [0,1,0,1,0,0|1,0,1]=4 652 B13R1.280 O=C(O)CCC1CCCCCC1=O Amb18822898 [0,1,0,1,0,0|1,0,0]=3 653 B13R1.280 O=C(O)CCN1CCCCCC1=O Amb1125181 [0,1,0,1,0,0|2,0,0]=4 654 B13R1.280 O=C(O)CC[C@H]1CCCCCC1=O Amb28366204 [0,1,0,1,0,0|1,0,0]=3 655 B13R1.280 O=C1CCCCCC1CC=C(Cl)Cl Amb35704022 [0,1,0,1,0,0|1,0,1]=4 656 B13R1.283 C=C1CCCCCCC1CN(C)C Amb6360183 [0,1,0,1,0,0|2,0,0]=4 657 B13R1.283 CN(C)CC1CCCCCCC1=O Amb26946702 [0,1,0,1,0,0|1,0,1]=4 658 B13R1.283 NC(=O)CN1CCCCCCC1=O Amb18322825 [0,1,0,1,0,0|2,0,0]=4 659 B13R1.283 NC1CCCCCCC1CC(=O)O Amb32863475 [0,1,0,1,0,0|1,0,1]=4 660 B13R1.283 O=C(O)CN1CCCCCCC1=O Amb6251748 [0,1,0,1,0,0|2,0,0]=4 661 B13R1.337 O=C(O)CCCCC1CCCCC1 Amb22336378 [0,1,0,1,0,0|0,0,2]=4 662 B13R1.337 O=C(O)CCCCC1CCCCN1 Amb32430376 [0,1,0,1,0,0|1,0,1]=4 663 B13R1.337 O=C(O)CCCCC1CCCOC1 Amb33229244 [0,1,0,1,0,0|1,0,1]=4 664 B13R1.343 O=C(O)CCCCCC1CCCC1 Amb33172440 [0,1,0,1,0,0|0,0,2]=4 665 B13R1.380 C=CCC1CCCCC1NC(=N)N Amb30017058 [0,1,0,1,0,0|2,0,0]=4 666 B13R1.380 C=CCC1CCCCC1NC(C)=O Amb27782431 [0,1,0,1,0,0|1,0,0]=3 667 B13R1.380 C=CCC1CCCCC1NC(N)=O Amb30036920 [0,1,0,1,0,0|1,0,0]=3 668 B13R1.380 CC(=O)C[C@@H]1CCCC[C@H]1CC#N Amb28194621 [0,1,0,1,0,0|1,0,1]=4 669 B13R1.380 CC(=O)NC1CCCCC1CC=O Amb28197195 [0,1,0,1,0,0|1,0,1]=4 670 B13R1.572 C#CCCC1CCCCC1C(=O)O Amb27589249 [0,1,0,1,0,0|0,0,2]=4 671 B13R1.610 CCC1CCCCCC1CC(=O)O Amb35721706 [0,1,0,1,0,0|0,0,2]=4 672 B13R1.610 COC1CCCCCC1CC(=O)O Amb18822015 [0,1,0,1,0,0|1,0,1]=4 673 B13R1.610 N#CC1CCCCCC1CC(=O)O Amb29854449 [0,1,0,1,0,0|1,0,1]=4 674 B13R1.614 C=CC1CCCCCCC1C(=O)O Amb27872195 [0,1,0,1,0,0|0,0,0]=2 675 B13R1.668 C=CCCCC1CCCCC1(C)O Amb32944866 [0,1,0,1,0,0|0,0,2]=4 676 B13R1.668 C=CCCC[C@@H]1CCCC[C@@]1(C)O Amb33213934 [0,1,0,1,0,0|0,0,2]=4 677 B13R1.1009 O=C(O)C1CCCCCCCCN1 Amb27392275 [0,1,0,1,0,0|1,0,1]=4 678 B13R1.1022 C=C(Cl)CNC1C=CCCCCC1 Amb27753920 [0,1,0,1,0,0|2,0,0]=4 679 B13R1.1022 NC(=O)CNC1C=CCCCCC1 Amb27875022 [0,1,0,1,0,0|1,0,0]=3 680 B13R1.1022 O=C(O)CCC1CCCCCCC1 Amb27605503 [0,1,0,1,0,0|0,0,2]=4 681 B13R1.1022 O=C(O)COC1C=CCCCCC1 Amb27268143 [0,1,0,1,0,0|1,0,0]=3 682 B13R1.1052 O=C(O)CCCCCCCC1CC1 Amb33167110 [0,1,0,1,0,0|0,0,2]=4 683 B13R1.1107 CC(=O)CC1C=CC=CCCCC1 Amb28199867 [0,1,0,1,0,0|0,0,2]=4 684 B13R1.1107 O=C(O)CC1=CCCCCCCC1 Amb28324566 [0,1,0,1,0,0|0,0,2]=4 685 B13R1.1988 O=C(O)CCCC1CCCCCC1 Amb33470260 [0,1,0,1,0,0|0,0,2]=4 686 B13R1.16 CC1CCCC(CCCC#N)C1=O Amb27970149 [0,1,0,1,0,0|1,0,1]=4 687 B13R1.528 N#CC(Cl)CCC1CCCCC1=O Amb18653161 [0,1,0,1,0,0|1,0,1]=4 688 B13R1.546 CCC(O)C1CCCCCCC1=O Amb28455106 [0,1,0,1,0,0|0,0,2]=4 689 B13R2.1 O=CC[C@@H]1CC[C@H]2CCCC=C12 Amb28349299 [0,0,0,2,0,0|0,0,0]=2 690 B13R2.1 O=CC[C@H]1CC[C@H]2CCCC=C12 Amb27194362 [0,0,0,2,0,0|0,0,0]=2 691 B13R2.3 C1=CC(C2C=CCCC2)CCC1 Amb6359712 [0,0,0,2,0,0|1,0,0]=3 692 B13R2.6 O=CC1CCCC12CCCCC2 Amb27984133 [0,0,0,2,0,0|0,0,2]=4 693 B13R2.14 O=C1CCCCC12C=CCCC2 Amb28381159 [0,0,0,2,0,0|0,0,0]=2 694 B13R2.14 O=C1CCCCC12CC=CCC2 Amb27190965 [0,0,0,2,0,0|0,0,2]=4 695 B13R2.14 O=C1CCCCC12CCCCC2 Amb28250100 [0,0,0,2,0,0|0,0,2]=4 696 B13R2.14 O=C1CCCCC12CCCCO2 Amb32655154 [0,0,0,2,0,0|1,0,1]=4 697 B13R2.15 O=C1CCCC1C2CCCCN2 Amb24602251 [0,0,0,2,0,0|1,0,1]=4 698 B13R2.15 O=C1CCCC1C2CCCOC2 Amb27760879 [0,0,0,2,0,0|1,0,1]=4 699 B13R2.40 O=CCCC1CC12CCCCC2 Amb27211173 [0,0,0,2,0,0|0,0,2]=4 700 B13R2.64 C1=CC(NC2C=CCC2)CCC1 Amb35722453 [0,0,0,2,0,0|2,0,0]=4 701 B13R2.510 BrCCCC1CC2C=CC1CC2 Amb35714761 [0,0,0,2,0,0|1,0,1]=4 702 B13R2.510 C=CCCC1CC2CCC1CC2 Amb35733801 [0,0,0,2,0,0|1,0,1]=4 703 B13R2.510 CNCCC1CC2C=CC1CC2 Amb30012028 [0,0,0,2,0,0|2,0,0]=4 704 B13R2.510 ClCCCC1CC2C=CC1CC2 Amb35714759 [0,0,0,2,0,0|1,0,1]=4 705 B13R2.510 NCCCC1CC2C=CC1CC2 Amb30012195 [0,0,0,2,0,0|1,0,1]=4 706 B13R2.510 NNCCC1CC2C=CC1CC2 Amb29866504 [0,0,0,2,0,0|2,0,0]=4 707 B13R2.510 O=CCCC1CC2C=CC1CC2 Amb29866379 [0,0,0,2,0,0|0,0,0]=2 708 B13R2.510 O=CCCC1CC2CCC1CC2 Amb35726283 [0,0,0,2,0,0|0,0,2]=4 709 B13R2.510 O=CNCC1CC2C=CC1CC2 Amb35729035 [0,0,0,2,0,0|1,0,0]=3 710 B13R2.510 OCCCC1CC2C=CC1CC2 Amb32945195 [0,0,0,2,0,0|0,0,2]=4 711 B13R2.1613 O=C[C@@H]1CCC[C@H]2CCCC[C@H]12 Amb28255713 [0,0,0,2,0,0|0,0,2]=4 712 B13R2.1613 O=C[C@H]1CC=C[C@H]2CCCC[C@H]12 Amb28131443 [0,0,0,2,0,0|0,0,2]=4 713 B13R2.3576 O=C1CCCCC2CCCC1C2 Amb27770112 [0,0,0,2,0,0|0,0,2]=4 714 B13R2.5252 O=C1C=CCCC2CCCC=C12 Amb27434283 [0,0,0,2,0,0|0,0,2]=4 715 B13R2.5252 O=C1C=CCCC2CCCCC12 Amb28253747 [0,0,0,2,0,0|0,0,0]=2 716 B13R2.5252 O=C1CCCC[C@H]2C=CCC[C@H]12 Amb27433095 [0,0,0,2,0,0|0,0,0]=2 717 B13R2.5252 O=C1CCCC[C@H]2CCCC[C@@H]12 Amb28202238 [0,0,0,2,0,0|0,0,2]=4 718 B13R2.5252 O=C1NCCCC2CCCCC12 Amb27413893 [0,0,0,2,0,0|1,0,1]=4 719 B13R2.208 O=C1CCCCCC12CCCC2 Amb25202509 [0,0,0,2,0,0|0,0,2]=4 720 B13R2.208 O=C1CCCCCC12CCNC2 Amb18826928 [0,0,0,2,0,0|1,0,1]=4 721 B13R2.228 O=C1CCC2CCC1CCC2=O Amb27212537 [0,0,0,2,0,0|1,0,0]=3 722 B13R2.344 CC1=C2CCCC(=O)C(CC1)C2 Amb27177444 [0,0,0,2,0,0|0,0,2]=4 723 B13R2.344 CC1=C2CCCC(=O)[C@@H](CC1)C2 Amb28285943 [0,0,0,2,0,0|0,0,2]=4 724 B13R2.344 CC1=C2CCCC(=O)[C@H](CC1)C2 Amb27861355 [0,0,0,2,0,0|0,0,2]=4 725 B13R2.383 C=C1CC[C@@H]2C(=O)CCCC[C@@H]12 Amb28198577 [0,0,0,2,0,0|0,0,0]=2 726 B13R2.383 C=C1CC[C@@H]2C(=O)CCCC[C@H]12 Amb28052521 [0,0,0,2,0,0|0,0,0]=2 727 B13R2.383 CN1CC[C@@H]2C(=O)CCCC[C@@H]21 Amb27780834 [0,0,0,2,0,0|1,0,1]=4 728 B13R2.383 CN1CC[C@@H]2C(=O)CCCC[C@H]21 Amb28144217 [0,0,0,2,0,0|1,0,1]=4 729 B13R2.383 O=C1CCC2C(=O)CCCCC12 Amb27212524 [0,0,0,2,0,0|1,0,0]=3 730 B13R2.383 O=C1CCN2C(=O)CCCCC12 Amb27973022 [0,0,0,2,0,0|2,0,0]=4 731 B13R2.383 O=C1CC[C@@H]2C(=O)CCCC[C@H]12 Amb28411333 [0,0,0,2,0,0|1,0,0]=3 732 B13R2.1421 C=CC1CC2CCCCC1C2=O Amb27175831 [0,0,0,2,0,0|0,0,0]=2 733 B13R2.1421 C=C[C@H]1C[C@H]2CCCC[C@H]1C2=O Amb28054354 [0,0,0,2,0,0|0,0,0]=2 734 B13R2.2442 O=C1CC2CCCC12CCCCl Amb27408509 [0,0,0,2,0,0|1,0,1]=4 735 B13R2.2453 CCCC[C@H]1C(=O)[C@H]2CCC[C@H]21 Amb28253723 [0,0,0,2,0,0|0,0,2]=4 736 B13R2.3029 O=C1NC2CCCC1CCC2=O Amb27643606 [0,0,0,2,0,0|2,0,0]=4 737 B13R2.3045 O=C1CCCCCC1CC2CC2 Amb27970302 [0,0,0,2,0,0|0,0,2]=4 738 B13R2.3729 O=C1C=C2CCCCCN2CC1 Amb27193061 [0,0,0,2,0,0|1,0,0]=3 739 B13R2.3729 O=C1C=C2NCCCCC2CC1 Amb27230390 [0,0,0,2,0,0|1,0,0]=3 740 B13R2.3729 O=C1CC[C@H]2CCCCC[C@@H]2N1 Amb27663610 [0,0,0,2,0,0|1,0,1]=4 741 B13R2.3757 O=C1CCC2CCCCCC12O Amb27177968 [0,0,0,2,0,0|1,0,1]=4 742 B13R2.4045 C=CCN1C2CCC1C(=O)NC2 Amb27816391 [0,0,0,2,0,0|2,0,0]=4 743 B13R2.5 O=CC1CCCCC12CCCC2 Amb18646650 [0,0,0,2,0,0|0,0,2]=4 744 B13R2.18 O=C1CCCCC1C2CCCC2 Amb18798695 [0,0,0,2,0,0|0,0,2]=4 745 B13R2.18 O=C1CCCCC1C2CCCN2 Amb20667669 [0,0,0,2,0,0|1,0,1]=4 746 B13R2.18 O=C1CCCCC1C2CCCN2 Amb22157204 [0,0,0,2,0,0|1,0,1]=4 747 B13R2.18 O=C1CCCCC1C2CCCO2 Amb25370820 [0,0,0,2,0,0|1,0,1]=4 748 B13R2.18 O=C1CCCCC1C2CCOC2 Amb24406247 [0,0,0,2,0,0|1,0,1]=4 749 B13R2.18 O=C1CCCCC1C2CCSC2 Amb35697112 [0,0,0,2,0,0|1,0,1]=4 750 B13R2.18 O=C1NCCCN1C2C=CCC2 Amb35713411 [0,0,0,2,0,0|2,0,0]=4 751 B13R2.29 O=C1CCCC1CC2=CCCC2 Amb28288605 [0,0,0,2,0,0|0,0,2]=4 752 B13R2.29 O=C1CCCC1CC2CC=CC2 Amb35630292 [0,0,0,2,0,0|0,0,2]=4 753 B13R2.29 O=C1CCCC1CC2CCOC2 Amb27614777 [0,0,0,2,0,0|1,0,1]=4 754 B13R2.2520 NCCCCC1CC2C=CC1C2 Amb33378069 [0,0,0,2,0,0|1,0,1]=4 755 B13R2.2520 O=C=NCCC1CC2C=CC1C2 Amb33223724 [0,0,0,2,0,0|1,0,1]=4 756 B13R2.2520 O=CCCCC1CC2C=CC1C2 Amb33378066 [0,0,0,2,0,0|0,0,0]=2 757 B13R2.2520 O=CCCCC1CC2CCC1C2 Amb33358634 [0,0,0,2,0,0|0,0,2]=4 758 B13R2.2520 O=CCCCC1CC2CCC1O2 Amb32874097 [0,0,0,2,0,0|1,0,1]=4 759 B13R2.3047 O=C1CCCCCC2=C1CC=C2 Amb28288896 [0,0,0,2,0,0|0,0,2]=4 760 B13R2.70 C=CCC1CC2CCCC2C1=O Amb28321836 [0,0,0,2,0,0|0,0,0]=2 761 B13R2.70 C=CC[C@@H]1C[C@@H]2CCC[C@@H]2C1=O Amb27489119 [0,0,0,2,0,0|0,0,0]=2 762 B13R2.104 CO[C@@H]1CCC[C@@]12CCCC2=O Amb27854955 [0,0,0,2,0,0|1,0,1]=4 763 B13R2.104 CO[C@H]1CCC[C@@]12CCCC2=O Amb27427951 [0,0,0,2,0,0|1,0,1]=4 764 B13R2.104 C\C=C1/CCCC12CCCC2=O Amb27175933 [0,0,0,2,0,0|0,0,2]=4 765 B13R2.210 O=C1CCC[C@@H]2CCC[C@@H]2CC1 Amb27854965 [0,0,0,2,0,0|0,0,2]=4 766 B13R2.2093 C=C[C@@H]1CC[C@H]2CCCCN[C@H]12 Amb28436651 [0,0,0,2,0,0|2,0,0]=4 767 B13R2.2351 N#CC12CCCC1CCCC2=O Amb27177584 [0,0,0,2,0,0|1,0,1]=4 768 B13R2.2351 N#C[C@]12CCC[C@H]1CCCC2=O Amb28052309 [0,0,0,2,0,0|1,0,1]=4 769 B13R2.283 CCCC1C(=O)CC2CCCC21 Amb27974029 [0,0,0,2,0,0|0,0,2]=4 770 B13R2.283 O=CC[C@@H]1C(=O)C[C@H]2CCC[C@@H]12 Amb27789609 [0,0,0,2,0,0|1,0,0]=3 771 B13R2.372 O=C1CCCCCCC1C2CO2 Amb28141294 [0,0,0,2,0,0|1,0,1]=4 772 B13R2.2950 COC[C@]12CCC[C@H]1CCC2=O Amb27844165 [0,0,0,2,0,0|1,0,1]=4 773 B13R2.2956 C=CC[C@@H]1C(=O)[C@H]2CCCC[C@@H]12 Amb28253717 [0,0,0,2,0,0|0,0,0]=2 774 B13R2.2956 CCCC1C(=O)C2CCCCC12 Amb27810139 [0,0,0,2,0,0|0,0,2]=4 775 B13R2.3312 CC12CCCCCCC1CC2=O Amb27164656 [0,0,0,2,0,0|0,0,2]=4 776 B13R2.3312 O=C1C[C@@H]2CCCCCC[C@]12O Amb28285932 [0,0,0,2,0,0|1,0,1]=4 777 B13R2.3680 O=C1CCC2C=CCC1CCC2 Amb27749802 [0,0,0,2,0,0|0,0,0]=2 778 B13R2.3907 O=C1C2=CC=CC1CCCCC2 Amb27177789 [0,0,0,2,0,0|0,0,2]=4 779 B13R2.3907 O=C1C2CCCCCC1CCC2 Amb26539633 [0,0,0,2,0,0|0,0,2]=4 780 B13R2.3907 O=C1[C@@H]2C=CC[C@H]1CCCCC2 Amb27434184 [0,0,0,2,0,0|0,0,0]=2 781 B13R2.4129 C=CCC1CCCC2CC2C1=O Amb28246562 [0,0,0,2,0,0|0,0,0]=2 782 B13R2.4688 O=C1C=C2CCCCCCC2C1 Amb27175871 [0,0,0,2,0,0|0,0,0]=2 783 B13R2.4688 O=C1CC2CCCCCCC2C1 Amb28351616 [0,0,0,2,0,0|0,0,2]=4 784 B13R2.4688 O=C1CC2CCCCCCC2N1 Amb28340979 [0,0,0,2,0,0|1,0,1]=4 785 B13R2.45 C\C=C1\C[C@@H]2CCCC[C@@H]2C1=O Amb28194564 [0,0,0,2,0,0|0,0,2]=4 786 B13R2.45 C\C=C1\C[C@H]2CCCC[C@H]2C1=O Amb27432612 [0,0,0,2,0,0|0,0,2]=4 787 B13R2.45 O=C1\C(=C/O)CC2CCCCC12 Amb27802745 [0,0,0,2,0,0|1,0,1]=4 788 B13R2.45 O=C1\C(=C\O)C[C@@H]2CCCC[C@H]12 Amb28202203 [0,0,0,2,0,0|1,0,1]=4 789 B13R2.135 COC1C(=O)CC2CCCCC21 Amb27176208 [0,0,0,2,0,0|1,0,1]=4 790 B13R2.135 C\C=C1/C(=O)CC2CCCCC12 Amb27176009 [0,0,0,2,0,0|0,0,2]=4 791 B13R2.135 N#CC1C(=O)C[C@H]2CCCC[C@@H]12 Amb24610144 [0,0,0,2,0,0|1,0,1]=4 792 B13R2.2352 C[C@H]1CCC2CCCC[C@@]21C=O Amb28287696 [0,0,0,2,0,0|0,0,2]=4 793 B13R2.2352 N#CC12CCCCC1CCC2=O Amb27262906 [0,0,0,2,0,0|1,0,1]=4 794 B13R2.2352 O=C[C@]12CCCC[C@H]1CCC2=O Amb27622185 [0,0,0,2,0,0|1,0,0]=3 795 B13R2.2721 CCC1C(=O)C2CCCCCC12 Amb27447994 [0,0,0,2,0,0|0,0,2]=4 796 B13R2.4668 O=C1CC2CCCCCC1CC2 Amb27177666 [0,0,0,2,0,0|0,0,2]=4 797 B13R2.4668 O=C1C[C@H]2CCCCC[C@@H]1CC2 Amb27629639 [0,0,0,2,0,0|0,0,2]=4 798 B13R2.4787 O=C1C[C@H]2CCCCCCC[C@H]12 Amb27433087 [0,0,0,2,0,0|0,0,2]=4 799 B13R2.4787 O=C1NC2CCCCCCCC12 Amb27646369 [0,0,0,2,0,0|1,0,1]=4 800 B13R2.4787 O=C1N[C@H]2CCCCCCC[C@@H]12 Amb27983514 [0,0,0,2,0,0|1,0,1]=4 801 B13R2.4787 O=C1N[C@H]2CCCCCCC[C@H]12 Amb27841212 [0,0,0,2,0,0|1,0,1]=4 802 B13R2.32 C=C1C(=O)NCC2CCCCN12 Amb28053036 [0,0,0,2,0,0|2,0,0]=4 803 B13R2.32 C=C1NCC2CCCCN2C1=O Amb28251461 [0,0,0,2,0,0|2,0,0]=4 804 B13R2.32 CC1=C2CCCCC2CCC1=O Amb15693446 [0,0,0,2,0,0|0,0,2]=4 805 B13R2.32 CC1C(=O)CC[C@@H]2CCCC[C@H]12 Amb27437401 [0,0,0,2,0,0|0,0,2]=4 806 B13R2.32 CC1C(=O)CC[C@H]2CCCC[C@H]12 Amb27844186 [0,0,0,2,0,0|0,0,2]=4 807 B13R2.32 CC1CCC2CCCCC2C1=O Amb27663209 [0,0,0,2,0,0|0,0,2]=4 808 B13R2.32 CN1C(=O)CCC2CCCCC21 Amb27794604 [0,0,0,2,0,0|1,0,1]=4 809 B13R2.32 CN1C(=O)CC[C@H]2CCCC[C@H]21 Amb28068988 [0,0,0,2,0,0|1,0,1]=4 810 B13R2.32 C[C@@H]1C(=O)CC[C@H]2CCCC[C@H]12 Amb28285931 [0,0,0,2,0,0|0,0,2]=4 811 B13R2.32 NC1C(=O)CCC2CCCCC21 Amb27873828 [0,0,0,2,0,0|1,0,1]=4 812 B13R2.32 O=C1C(F)CCC2CCCCC12 Amb24736430 [0,0,0,2,0,0|1,0,1]=4 813 B13R2.32 O=C1C2CCCCC2CC[C@H]1Cl Amb27760477 [0,0,0,2,0,0|1,0,1]=4 814 B13R2.32 O=C1CCC2CCCCC2=C1Br Amb8394157 [0,0,0,2,0,0|1,0,1]=4 815 B13R2.32 O=C1CCC2CCCCC2=C1F Amb24690702 [0,0,0,2,0,0|1,0,1]=4 816 B13R2.32 O=C1CCC2CCCCC2=C1O Amb27176196 [0,0,0,2,0,0|1,0,1]=4 817 B13R2.32 O=C1CCC2CCCCC2C1=O Amb28120613 [0,0,0,2,0,0|1,0,0]=3 818 B13R2.32 O=C1CC[C@@H]2CCCCC2C1=O Amb27227118 [0,0,0,2,0,0|1,0,0]=3 819 B13R2.32 O=C1CC[C@H]2CCCC[C@@H]2[C@H]1F Amb28141326 [0,0,0,2,0,0|1,0,1]=4 820 B13R2.32 O=C1[C@@H](Cl)CC[C@H]2CCCC[C@H]12 Amb27202573 [0,0,0,2,0,0|1,0,1]=4 821 B13R2.33 O=C1C=C[C@H]2CCCC[C@@H]2OC1 Amb28052606 [0,0,0,2,0,0|1,0,0]=3 822 B13R2.33 O=C1CC=C2CCCCC2CC1 Amb27177590 [0,0,0,2,0,0|0,0,2]=4 823 B13R2.33 O=C1CC=C2CCCC[C@@H]2CC1 Amb27828976 [0,0,0,2,0,0|0,0,2]=4 824 B13R2.33 O=C1CC[C@H]2CCCC[C@@H]2OC1 Amb28052365 [0,0,0,2,0,0|1,0,1]=4 825 B13R2.57 C=CC1CC[C@H]2CCCC[C@@H]2N1 Amb28051929 [0,0,0,2,0,0|1,0,1]=4 826 B13R2.57 O=CC1CCC2=C(CCCC2)C1 Amb18646128 [0,0,0,2,0,0|0,0,2]=4 827 B13R2.88 C\C=C1\CCCCC12CCC2=O Amb27437344 [0,0,0,2,0,0|0,0,2]=4 828 B13R2.489 C=CCCN1C2C=CCC1CC2 Amb28283499 [0,0,0,2,0,0|2,0,0]=4 829 B13R2.573 C=C1CCC2C(CO)CCCC12 Amb27598468 [0,0,0,2,0,0|0,0,2]=4 830 B13R2.573 C=C1CC[C@@H]2[C@@H](CO)CCC[C@H]12 Amb28388641 [0,0,0,2,0,0|0,0,2]=4 831 B13R2.573 C=CC1CCCC2C(=O)C=CC12 Amb28053974 [0,0,0,2,0,0|0,0,2]=4 832 B13R2.573 C=C[C@H]1CCC[C@@H]2C(=O)C=C[C@@H]21 Amb28052411 [0,0,0,2,0,0|0,0,2]=4 833 B13R2.573 COC1CCC[C@@H]2C(=O)CC[C@@H]12 Amb28144226 [0,0,0,2,0,0|1,0,1]=4 834 B13R2.573 O=C1CCC2C(CO)CCCC12 Amb27616860 [0,0,0,2,0,0|1,0,1]=4 835 B13R2.667 C\C=C1\CCC2CC1CCC2=O Amb27626946 [0,0,0,2,0,0|0,0,2]=4 836 B13R2.230 O=C1CCC2C=C1CCCCC2 Amb27211981 [0,0,0,2,0,0|0,0,0]=2 837 B13R2.232 CC1=CCC2CCCC2CC1=O Amb27177817 [0,0,0,2,0,0|0,0,2]=4 838 B13R2.369 CC1=CC2CCCCC2CC1=O Amb27177482 [0,0,0,2,0,0|0,0,2]=4 839 B13R2.369 CC1CC2CCCCC2CC1=O Amb4012872 [0,0,0,2,0,0|0,0,2]=4 840 B13R2.369 CC1C[C@H]2CCCC[C@H]2CC1=O Amb28052219 [0,0,0,2,0,0|0,0,2]=4 841 B13R2.369 N[C@H]1C[C@H]2CCCC[C@@H]2CC1=O Amb27813279 [0,0,0,2,0,0|1,0,1]=4 842 B13R2.369 O=C1CC2CCCCC2CC1F Amb27177685 [0,0,0,2,0,0|1,0,1]=4 843 B13R2.369 O=C1C[C@@H]2CCCC[C@@H]2C[C@@H]1O Amb27620390 [0,0,0,2,0,0|1,0,1]=4 844 B13R2.369 O=C1C[C@H]2CCCC[C@@H]2CC1Cl Amb27266095 [0,0,0,2,0,0|1,0,1]=4 845 B13R2.369 O=C1C[C@H]2CCCC[C@@H]2C[C@@H]1F Amb27204903 [0,0,0,2,0,0|1,0,1]=4 846 B13R2.369 O=C1C[C@H]2CCCC[C@@H]2C[C@@H]1O Amb27195837 [0,0,0,2,0,0|1,0,1]=4 847 B13R2.369 O=C1C[C@H]2CCCC[C@@H]2C[C@H]1O Amb27861319 [0,0,0,2,0,0|1,0,1]=4 848 B13R2.4821 CC12CCCCC1CCCC2=O Amb25077647 [0,0,0,2,0,0|0,0,2]=4 849 B13R2.4821 O=C1CCCC2CCCCC12O Amb28122454 [0,0,0,2,0,0|1,0,1]=4 850 B13R2.4821 O=C1CCC[C@@H]2CCCC[C@@]12O Amb27208667 [0,0,0,2,0,0|1,0,1]=4 851 B13R2.5226 O=C1CCCCCCC[C@H]2C[C@@H]12 Amb27640532 [0,0,0,2,0,0|0,0,2]=4 852 B13R2.163 O=C1C=C2CCCCC2CCC1 Amb27177506 [0,0,0,2,0,0|0,0,0]=2 853 B13R2.163 O=C1CCCC2=C(CCCC2)C1 Amb27211979 [0,0,0,2,0,0|0,0,2]=4 854 B13R2.163 O=C1CCCC2CCCC=C2N1 Amb28243786 [0,0,0,2,0,0|1,0,1]=4 855 B13R2.163 O=C1CCC[C@@H]2CCCC[C@@H]2C1 Amb28457521 [0,0,0,2,0,0|0,0,2]=4 856 B13R2.163 O=C1CCC[C@@H]2CCCC[C@H]2N1 Amb27220587 [0,0,0,2,0,0|1,0,1]=4 857 B13R2.312 COCC1CC2CCC1CC2=O Amb27389481 [0,0,0,2,0,0|1,0,1]=4 858 B13R2.9439 O=CC1[C@@H]2C=CCCCCC[C@H]12 Amb28287346 [0,0,0,2,0,0|0,0,0]=2 859 B13R2.218 O=C1CC=CCC2CCCC2C1 Amb27177727 [0,0,0,2,0,0|0,0,2]=4 860 B13R2.218 O=C1CCCCC2CCCC2C1 Amb28351378 [0,0,0,2,0,0|0,0,2]=4 861 B13R2.218 O=C1CCCC[C@@H]2CCC[C@@H]2C1 Amb28285836 [0,0,0,2,0,0|0,0,2]=4 862 B13R2.218 O=C1CCCC[C@@H]2CCC[C@H]2C1 Amb28199945 [0,0,0,2,0,0|0,0,2]=4 863 B13R2.3672 O=C1CCC2=C1CCCCC=C2 Amb28200112 [0,0,0,2,0,0|0,0,2]=4 864 B13R2.3672 O=C1CCC2CCCCCCC12 Amb28202072 [0,0,0,2,0,0|0,0,2]=4 865 B13R2.4820 O=C1CCCC2=C1CCCCC2 Amb28202323 [0,0,0,2,0,0|0,0,2]=4 866 B13R2.4820 O=C1CCCC2CCCCC=C12 Amb28461159 [0,0,0,2,0,0|0,0,0]=2 867 B13R2.4820 O=C1CCC[C@H]2CC=CCC[C@H]12 Amb27212444 [0,0,0,2,0,0|0,0,2]=4 868 B13R2.4820 O=C1CCC[C@H]2CCCCC[C@H]12 Amb27212437 [0,0,0,2,0,0|0,0,2]=4 869 B13R2.168 C=C1CC=CCC12CCCC2=O Amb27828812 [0,0,0,2,0,0|0,0,2]=4 870 B13R2.168 C=C1CCCC12CCCCC2=O Amb28202177 [0,0,0,2,0,0|0,0,0]=2 871 B13R2.168 C[C@@H]1CCC[C@@]12CCCCC2=O Amb28054446 [0,0,0,2,0,0|0,0,2]=4 872 B13R2.168 O=C1CCCCC12CCCC2=O Amb28461210 [0,0,0,2,0,0|1,0,0]=3 873 B13R2.168 O=C1CCCCC12CCOC2=O Amb25036421 [0,0,0,2,0,0|2,0,0]=4 874 B13R2.168 O=C1CCCC[C@@]12CCCC2=O Amb27177611 [0,0,0,2,0,0|1,0,0]=3 875 B13R2.168 O=C1CCC[C@]12CCCNC2=O Amb28364415 [0,0,0,2,0,0|2,0,0]=4 876 B13R2.215 O=C1CCCCC1C2CCC2=O Amb27614654 [0,0,0,2,0,0|1,0,0]=3 877 B13R2.305 C\C=C\[C@H]1C[C@]12CCCCC2=O Amb27262919 [0,0,0,2,0,0|0,0,2]=4 878 B13R2.342 C=C1CCCC2=C1CCCC2=O Amb27175860 [0,0,0,2,0,0|0,0,2]=4 879 B13R2.342 CN1CCCC2C(=O)CCCC21 Amb28324335 [0,0,0,2,0,0|1,0,1]=4 880 B13R2.342 CN1CCC[C@@H]2C(=O)CCC[C@@H]21 Amb28052530 [0,0,0,2,0,0|1,0,1]=4 881 B13R2.342 O=C1CCCN2C(=O)CCCC12 Amb27666821 [0,0,0,2,0,0|2,0,0]=4 882 B13R2.342 O=C1CCC[C@@H]2C(O)CCC[C@@H]12 Amb28052221 [0,0,0,2,0,0|1,0,1]=4 883 B13R2.342 O=C1CCC[C@@H]2[C@@H]1CCC[C@H]2O Amb28253947 [0,0,0,2,0,0|1,0,1]=4 884 B13R2.342 O=C1CCC[C@H]2[C@@H](O)CCC[C@@H]12 Amb27263023 [0,0,0,2,0,0|1,0,1]=4 885 B13R2.342 O=C1CCC[C@H]2[C@@H](O)CCC[C@H]12 Amb27427680 [0,0,0,2,0,0|1,0,1]=4 886 B13R2.486 CCCCC1C2CCC1C(=O)C2 Amb27861493 [0,0,0,2,0,0|0,0,2]=4 887 B13R2.486 CCCC[C@@H]1[C@@H]2CC[C@H]1C(=O)C2 Amb28052421 [0,0,0,2,0,0|0,0,2]=4 888 B13R2.486 CCCC[C@H]1[C@@H]2CC[C@H]1C(=O)C2 Amb27785530 [0,0,0,2,0,0|0,0,2]=4 889 B13R2.567 CN1CCCCC1C2CC2C=O Amb25136264 [0,0,0,2,0,0|1,0,1]=4 890 B13R2.2411 O=C1[C@H]2CCC[C@@H]1C[C@H]2CCO Amb27196267 [0,0,0,2,0,0|1,0,1]=4 891 B13R2.179 C=C1C[C@H]1CC[C@H]2CCCC2=O Amb28052462 [0,0,0,2,0,0|0,0,0]=2 892 B13R2.4440 O=CCC1CC12CCCCCC2 Amb27229439 [0,0,0,2,0,0|0,0,2]=4 893 B13R2.8173 O=CCCC12C=CCC1CC=C2 Amb27592940 [0,0,0,2,0,0|0,0,2]=4 894 B13R2.911 O=CCCC1C2CCCCCC12 Amb27872796 [0,0,0,2,0,0|0,0,2]=4 895 B13R2.5334 O=C1CCC12C=CC=CCCC2 Amb27177904 [0,0,0,2,0,0|0,0,2]=4 896 B13R2.5334 O=C1CCC12CCCCCCC2 Amb26476577 [0,0,0,2,0,0|0,0,2]=4 897 B13R2.181 CN1CCCC1C2CCCC2=O Amb27240603 [0,0,0,2,0,0|1,0,1]=4 898 B13R2.3130 O=C1CCCC12C=CCCCO2 Amb27175817 [0,0,0,2,0,0|1,0,0]=3 899 B13R2.3130 O=C1CCCC12CCCCCC2 Amb28202218 [0,0,0,2,0,0|0,0,2]=4 900 B13R2.1411 O=CC1CC1C2CCCCCC2 Amb32669257 [0,0,0,2,0,0|0,0,2]=4