0 B11R0.4 CCCC(=O)NCCCCCN Amb18618681 [0,0,0,0,0,0|3,0,1]=4 1 B11R0.4 CCCCCCCC(=O)OC=C Amb17672562 [0,0,0,0,0,0|0,0,4]=4 2 B11R0.4 CCCCCCNC(=O)CCC Amb17855601 [0,0,0,0,0,0|2,0,1]=3 3 B11R0.4 CCCCSCCC(=O)OCC Amb1032991 [0,0,0,0,0,0|1,0,2]=3 4 B11R0.4 CCC\C=C/C=C/C(=O)OCC Amb10067180 [0,0,0,0,0,0|0,0,2]=2 5 B11R0.4 CCC\C=C\CCC(=O)OCC Amb22230696 [0,0,0,0,0,0|0,0,4]=4 6 B11R0.4 CCOC(=O)CCCCCCO Amb22230670 [0,0,0,0,0,0|1,0,2]=3 7 B11R0.4 CCOC(=O)CCCOCCI Amb22499114 [0,0,0,0,0,0|2,0,2]=4 8 B11R0.4 CCOC(=O)CCOCCCN Amb18111491 [0,0,0,0,0,0|2,0,2]=4 9 B11R0.4 CCOC(=O)CCOCCNC Amb18111839 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.4 CCOC(=O)NCCCCCN Amb24103492 [0,0,0,0,0,0|2,0,1]=3 11 B11R0.4 C\C=C\C(=O)OCCCCCC Amb22363334 [0,0,0,0,0,0|2,0,2]=4 12 B11R0.4 OCCCCCNC(=O)NCC Amb13883049 [0,0,0,0,0,0|3,0,1]=4 13 B11R0.4 OCCCCCNC(=O)OCC Amb13883047 [0,0,0,0,0,0|2,0,1]=3 14 B10R0.1 CC#CC(=O)NCCCCC Amb24757625 [1,0,0,0,0,0|2,0,1]=4 15 B10R0.1 CCCC(=O)NCCCCCl Amb24072355 [1,0,0,0,0,0|3,0,0]=4 16 B10R0.1 CCCC(=O)NCCCCO Amb17102979 [1,0,0,0,0,0|3,0,0]=4 17 B10R0.1 CCCC(=O)OCCCCO Amb21929137 [1,0,0,0,0,0|3,0,0]=4 18 B10R0.1 CCCCCNC(=O)CCO Amb17334465 [1,0,0,0,0,0|3,0,0]=4 19 B10R0.1 CCCCCNC(=O)COC Amb23247528 [1,0,0,0,0,0|3,0,0]=4 20 B10R0.1 CCNC(=O)CCNCCC Amb18797397 [1,0,0,0,0,0|2,0,1]=4 21 B10R0.1 CCOC(=O)CCCCC=O Amb22230667 [1,0,0,0,0,0|1,0,2]=4 22 B10R0.1 CCOC(=O)CCCOCC Amb22336385 [1,0,0,0,0,0|1,0,1]=3 23 B10R0.1 CCOC(=O)CCNCCN Amb18792258 [1,0,0,0,0,0|2,0,1]=4 24 B10R0.1 CCOC(=O)CCSCCN Amb18178450 [1,0,0,0,0,0|2,0,1]=4 25 B10R0.1 CCOC(=O)\C=C\CCCCl Amb19888384 [1,0,0,0,0,0|1,0,0]=2 26 B10R0.1 NCCCCCC(=O)OCC Amb10553125 [1,0,0,0,0,0|1,0,1]=3 27 B10R0.71 CCCCCC=CC=CC=O Amb24056155 [1,0,0,0,0,0|2,0,1]=4 28 B10R0.71 CCCCCC\C=C\CCO Amb22641690 [1,0,0,0,0,0|2,0,1]=4 29 B10R0.71 CCCCC\C=C/C=CC=C Amb22336558 [1,0,0,0,0,0|1,0,2]=4 30 B10R0.71 CCCCC\C=C\C=C/C=C Amb22546765 [1,0,0,0,0,0|1,0,2]=4 31 B10R0.71 CCCCC\C=C\C=C\C=C Amb22730166 [1,0,0,0,0,0|1,0,2]=4 32 B10R0.71 CCCCC\C=C\C=C\CO Amb10807430 [1,0,0,0,0,0|2,0,0]=3 33 B10R0.71 CCCCC\C=C\CCCO Amb10807437 [1,0,0,0,0,0|2,0,1]=4 34 B10R0.71 C\C=C/C\C=C/CCCCC Amb22546768 [1,0,0,0,0,0|1,0,2]=4 35 B10R0.71 C\C=C\C=C\CCCCCC Amb22546597 [1,0,0,0,0,0|1,0,2]=4 36 B10R0.74 BrCCCCCCC(=O)OC Amb10604007 [1,0,0,0,0,0|1,0,2]=4 37 B10R0.74 CCC(=O)NCCCCCN Amb18102728 [1,0,0,0,0,0|2,0,1]=4 38 B10R0.74 CCCCCC#CC(=O)CF Amb25383110 [1,0,0,0,0,0|1,0,2]=4 39 B10R0.74 CCCCCC=CC(=O)OC Amb24066773 [1,0,0,0,0,0|0,0,0]=1 40 B10R0.74 CCCCCCCC(=O)SC Amb22366709 [1,0,0,0,0,0|0,1,2]=4 41 B10R0.74 CCCCCCNC(=O)CBr Amb17331633 [1,0,0,0,0,0|2,0,1]=4 42 B10R0.74 CCCCCCNC(=O)OC Amb17859513 [1,0,0,0,0,0|1,0,1]=3 43 B10R0.74 CCCCCCOC(=O)CC Amb22168098 [1,0,0,0,0,0|1,0,1]=3 44 B10R0.74 CCCCCC\C=C(\I)/CC Amb22641682 [1,0,0,0,0,0|1,0,1]=3 45 B10R0.74 CCCC\C=C\NC(=O)CCl Amb25384877 [1,0,0,0,0,0|2,0,1]=4 46 B10R0.74 CNC(=O)NCCCCCC Amb22347740 [1,0,0,0,0,0|2,0,1]=4 47 B10R0.74 COC(=O)C#CCCCCO Amb24750368 [1,0,0,0,0,0|1,0,2]=4 48 B10R0.74 OCCCCCCC(=O)OC Amb13887312 [1,0,0,0,0,0|1,0,2]=4 49 B12R0.1 BrCCCCCCCC(=O)OCC Amb10604167 [0,1,0,0,0,0|0,0,2]=3 50 B12R0.1 CCCC(=O)NCCCCCCO Amb24072634 [0,1,0,0,0,0|2,0,1]=4 51 B12R0.1 CCCNCCCOC(=O)CCC Amb18266004 [0,1,0,0,0,0|2,0,1]=4 52 B12R0.1 CCNC(=O)\C=C\CC\C=C/CC Amb24100439 [0,1,0,0,0,0|1,0,1]=3 53 B12R0.1 CCOC(=O)C#CCCCCCC Amb19888150 [0,1,0,0,0,0|0,0,2]=3 54 B12R0.1 CCOC(=O)CCCCCCCCl Amb22002672 [0,1,0,0,0,0|0,0,2]=3 55 B12R0.1 CCOC(=O)CCCCCCCF Amb24063238 [0,1,0,0,0,0|0,0,2]=3 56 B12R0.1 CCOC(=O)CCCCCCCN Amb19375589 [0,1,0,0,0,0|0,0,2]=3 57 B12R0.4 CCCCCCCC(=O)OC(C)C Amb22732211 [0,1,0,0,0,0|0,0,2]=3 58 B12R0.4 CCCCCCOC(=O)CC(C)C Amb22168097 [0,1,0,0,0,0|2,0,1]=4 59 B12R0.49 CCCCCCOC(=O)C(C)CC Amb22363231 [0,1,0,0,0,0|2,0,1]=4 60 B12R0.101 CCCCC(=S)NCC(=O)OCC Amb10563145 [0,1,0,0,0,0|1,0,2]=4 61 B12R0.114 CCCCCCC(Br)C(=O)OCC Amb21858286 [0,1,0,0,0,0|0,0,2]=3 62 B12R0.114 COCCCNC(=O)C(=O)NCC Amb1807185 [0,1,0,0,0,0|3,0,0]=4 63 B12R0.206 CCCCC(=O)OCCCCCC Amb22348394 [0,1,0,0,0,0|2,0,1]=4 64 B12R0.206 CCCCCCCC(=O)OCC=C Amb22338623 [0,1,0,0,0,0|0,0,3]=4 65 B12R0.206 CCCCCCNC(=O)CCCCl Amb17332518 [0,1,0,0,0,0|2,0,1]=4 66 B12R0.206 CCCCCCOC(=O)CCCCl Amb19960303 [0,1,0,0,0,0|2,0,1]=4 67 B12R0.239 CCCCCC(O)CC(=O)OCC Amb19071694 [0,1,0,0,0,0|0,0,2]=3 68 B12R0.285 CCCC(S)CCOC(=O)CCC Amb22168266 [0,1,0,0,0,0|2,0,1]=4 69 B12R0.285 CCOC(=O)C=CCC(=O)OCC Amb22230542 [0,1,0,0,0,0|1,0,1]=3 70 B12R0.285 CCOC(=O)\C=C\CC(=O)OCC Amb22730501 [0,1,0,0,0,0|1,0,1]=3 71 B12R1.28 C#CCCCC=1CCCC(=O)C1 Amb25125767 [0,0,0,1,0,0|1,0,2]=4 72 B12R1.28 CCCCNC=1CCCC(=O)C1 Amb25258387 [0,0,0,1,0,0|2,0,0]=3 73 B12R1.28 CCC\C=C\C=1CCCC(=O)C1 Amb25322886 [0,0,0,1,0,0|1,0,2]=4 74 B12R1.28 C\C=C\CCC=1CCCC(=O)C1 Amb24490923 [0,0,0,1,0,0|1,0,2]=4 75 B12R1.28 N#CCCCC=1CCCC(=O)C1 Amb18645905 [0,0,0,1,0,0|2,0,1]=4 76 B12R1.32 C#CCC(=O)C=C1CCCCC1 Amb25702880 [0,0,0,1,0,0|1,0,2]=4 77 B12R1.32 C=CCC(=O)C=C1CCCCC1 Amb25158218 [0,0,0,1,0,0|1,0,2]=4 78 B12R1.32 CCCC(=O)NN1CCCCC1 Amb2125374 [0,0,0,1,0,0|3,0,0]=4 79 B12R1.32 CCCC(=O)\C=C/1\CCCCN1 Amb24519316 [0,0,0,1,0,0|2,0,0]=3 80 B12R1.32 CCNC(=O)CN1CCCCC1 Amb20141263 [0,0,0,1,0,0|2,0,1]=4 81 B12R1.32 CCNC(=O)NN1CCCCC1 Amb25292107 [0,0,0,1,0,0|3,0,0]=4 82 B12R1.32 CCOC(=O)C=C1CCOCC1 Amb10068018 [0,0,0,1,0,0|1,0,0]=2 83 B12R1.32 CCOC(=O)C=C1CCSCC1 Amb22226793 [0,0,0,1,0,0|1,0,0]=2 84 B12R1.32 CCOC(=O)C=C1NCCCN1 Amb25159932 [0,0,0,1,0,0|2,0,0]=3 85 B12R1.32 CCOC(=O)CC1CCCCN1 Amb10607295 [0,0,0,1,0,0|1,0,2]=4 86 B12R1.32 CCOC(=O)CC1CCCCN1 Amb24081254 [0,0,0,1,0,0|1,0,2]=4 87 B12R1.32 CCOC(=O)CC1CCCCO1 Amb1094048 [0,0,0,1,0,0|1,0,2]=4 88 B12R1.32 CCOC(=O)CC1CCSCC1 Amb22230694 [0,0,0,1,0,0|1,0,2]=4 89 B12R1.32 CCOC(=O)CC=1CCCOC1 Amb23538519 [0,0,0,1,0,0|1,0,2]=4 90 B12R1.32 CCOC(=O)CN1CCNCC1 Amb2371569 [0,0,0,1,0,0|2,0,1]=4 91 B12R1.32 CCOC(=O)CN1CCOCC1 Amb10601892 [0,0,0,1,0,0|2,0,1]=4 92 B12R1.32 CCOC(=O)NC1CCCCC1 Amb17846666 [0,0,0,1,0,0|1,0,1]=3 93 B12R1.32 CCOC(=O)NC1CCCCO1 Amb24427141 [0,0,0,1,0,0|2,0,1]=4 94 B12R1.32 CCOC(=O)NC1CCNCC1 Amb10610352 [0,0,0,1,0,0|2,0,1]=4 95 B12R1.32 CCOC(=O)NC=1CCCCC1 Amb25785151 [0,0,0,1,0,0|1,0,1]=3 96 B12R1.32 CCOC(=O)NN1CCCCC1 Amb2125367 [0,0,0,1,0,0|2,0,0]=3 97 B12R1.32 CCOC(=O)NN1CCNCC1 Amb18127085 [0,0,0,1,0,0|3,0,0]=4 98 B12R1.32 CCOC(=O)NN1CCOCC1 Amb17786396 [0,0,0,1,0,0|3,0,0]=4 99 B12R1.32 CCOC(=O)\C=C/1\CCCCN1 Amb18826003 [0,0,0,1,0,0|1,0,0]=2 100 B12R1.32 CCOC(=O)\C=C/1\CCCNC1 Amb21959312 [0,0,0,1,0,0|1,0,0]=2 101 B12R1.32 CCOC(=O)\C=C/1\CCCNC1 Amb22264368 [0,0,0,1,0,0|1,0,0]=2 102 B12R1.32 CCOC(=O)\C=C/1\CNCCN1 Amb18825635 [0,0,0,1,0,0|2,0,0]=3 103 B12R1.32 CCOC(=O)\C=C\1/CCCNC1 Amb22727944 [0,0,0,1,0,0|1,0,0]=2 104 B12R1.32 CCOC(=O)\C=C\1/CCCNC1 Amb22728047 [0,0,0,1,0,0|1,0,0]=2 105 B12R1.32 CCOC(=O)\C=C\1/COCCN1 Amb22900976 [0,0,0,1,0,0|2,0,0]=3 106 B12R1.32 CCOC(=O)\C=C\1/NCCCS1 Amb25055110 [0,0,0,1,0,0|2,0,0]=3 107 B12R1.32 CCOC(=S)NC1CCCCC1 Amb25783808 [0,0,0,1,0,0|1,1,1]=4 108 B12R1.32 CCOC(C)=NC1CCCCC1 Amb25338367 [0,0,0,1,0,0|2,0,1]=4 109 B12R1.32 CCSC(=O)\C=C/1\CCCCN1 Amb25253387 [0,0,0,1,0,0|1,1,0]=3 110 B12R1.32 O=C(C=C1CCCCC1)N=C=S Amb25283122 [0,0,0,1,0,0|2,0,1]=4 111 B12R1.32 O=C(CC1CCCCC1)OCCl Amb22755979 [0,0,0,1,0,0|1,0,2]=4 112 B12R1.32 O=C(OCCl)OC1CCCCC1 Amb20623531 [0,0,0,1,0,0|2,0,1]=4 113 B12R1.37 CCCCC\C=C\C1OCCO1 Amb25375130 [0,0,0,1,0,0|0,0,2]=3 114 B12R1.51 CC#CC(=O)\C=C\C1CCCC1 Amb25093746 [0,0,0,1,0,0|1,0,1]=3 115 B12R1.51 CCNC(=O)NCC1CCCC1 Amb24569785 [0,0,0,1,0,0|2,0,1]=4 116 B12R1.51 CCNC(=O)\C=C\C=1CCCC1 Amb25226194 [0,0,0,1,0,0|1,0,2]=4 117 B12R1.51 CCOC(=O)C#CC1CCCC1 Amb24732157 [0,0,0,1,0,0|0,0,2]=3 118 B12R1.51 CCOC(=O)C=CN1CCCC1 Amb24089403 [0,0,0,1,0,0|1,0,0]=2 119 B12R1.51 CCOC(=O)CCC1CNCC1 Amb22002528 [0,0,0,1,0,0|1,0,2]=4 120 B12R1.51 CCOC(=O)CCC1COCC1 Amb20247595 [0,0,0,1,0,0|1,0,2]=4 121 B12R1.51 CCOC(=O)CNC1CCCC1 Amb19887553 [0,0,0,1,0,0|1,0,1]=3 122 B12R1.51 CCOC(=O)CSC1CNCC1 Amb19072468 [0,0,0,1,0,0|2,0,1]=4 123 B12R1.51 CCOC(=O)\C=C\N1CCCC1 Amb2384231 [0,0,0,1,0,0|1,0,0]=2 124 B12R1.141 CC1CC(=O)CCCCCCC1 Amb25373271 [0,0,0,1,0,0|1,0,2]=4 125 B12R1.154 CN1CCCC=CC(=O)NCC1 Amb25346213 [0,0,0,1,0,0|2,0,0]=3 126 B12R1.215 O=C1CC=CCCCCCCC1 Amb25112664 [0,0,0,1,0,0|1,0,2]=4 127 B12R1.215 O=C1CCCCCCCCC#C1 Amb25706996 [0,0,0,1,0,0|1,0,2]=4 128 B12R1.215 O=C1CCCCCCCCCO1 Amb22732305 [0,0,0,1,0,0|0,0,2]=3 129 B12R1.308 CC1CCCCC1C(=N)OCC Amb24583445 [0,0,0,1,0,0|1,0,2]=4 130 B12R1.308 CC1CCCCC1C(=O)OCC Amb24488582 [0,0,0,1,0,0|0,0,2]=3 131 B12R1.308 CC1CCCCN1C(=O)OCCl Amb24672589 [0,0,0,1,0,0|2,0,1]=4 132 B12R1.308 CC1CCCNC1C(=O)NCC Amb18285223 [0,0,0,1,0,0|2,0,1]=4 133 B12R1.308 CC1CCCNC1C(=O)OCC Amb25279911 [0,0,0,1,0,0|1,0,1]=3 134 B12R1.308 CC1CCNCC1C(=O)OCC Amb18647513 [0,0,0,1,0,0|1,0,2]=4 135 B12R1.308 CC1CNCCC1C(=O)OCC Amb19889853 [0,0,0,1,0,0|1,0,2]=4 136 B12R1.308 CC1NCCCC1C(=O)OCC Amb18647516 [0,0,0,1,0,0|1,0,2]=4 137 B12R1.308 CC1NCCCC1C(=O)OCC Amb22728543 [0,0,0,1,0,0|1,0,2]=4 138 B12R1.308 CC=1CCCCC1C(=O)CCC Amb25086601 [0,0,0,1,0,0|1,0,2]=4 139 B12R1.308 CC=1CCCCC1C(=O)OCC Amb25349423 [0,0,0,1,0,0|0,0,2]=3 140 B12R1.308 CCCC(=O)N1CCCCC1C Amb17855600 [0,0,0,1,0,0|2,0,1]=4 141 B12R1.308 CCOC(=O)C1=CCCCC1=O Amb17594202 [0,0,0,1,0,0|1,0,1]=3 142 B12R1.308 CCOC(=O)C1=CCCC[C@@H]1O Amb25061720 [0,0,0,1,0,0|1,0,0]=2 143 B12R1.308 CCOC(=O)C1CCCCC1Cl Amb25690304 [0,0,0,1,0,0|1,0,2]=4 144 B12R1.308 CCOC(=O)C1CCCCC1N Amb22757239 [0,0,0,1,0,0|1,0,2]=4 145 B12R1.308 CCOC(=O)C1NCCCC1O Amb24094133 [0,0,0,1,0,0|2,0,1]=4 146 B12R1.308 CCOC(=O)C=1CCCCC1Cl Amb25763600 [0,0,0,1,0,0|1,0,2]=4 147 B12R1.308 CCOC(=O)C=1CCCCC1S Amb22232455 [0,0,0,1,0,0|1,0,2]=4 148 B12R1.308 CCOC(=O)N1C=CCCC1O Amb24060022 [0,0,0,1,0,0|2,0,1]=4 149 B12R1.308 CCOC(=O)N1CCCCC1C Amb24612717 [0,0,0,1,0,0|1,0,1]=3 150 B12R1.308 CCOC(=O)N1CCCCC1O Amb25158090 [0,0,0,1,0,0|2,0,1]=4 151 B12R1.308 CCOC(=O)N1CCNCC1C Amb18286823 [0,0,0,1,0,0|2,0,1]=4 152 B12R1.308 CCOC(=O)N1CCNC[C@@H]1C Amb24103467 [0,0,0,1,0,0|2,0,1]=4 153 B12R1.308 CCOC(=O)N1CCNC[C@H]1C Amb25751405 [0,0,0,1,0,0|2,0,1]=4 154 B12R1.308 CCOC(=O)N1CCSCC1C Amb24370225 [0,0,0,1,0,0|2,0,1]=4 155 B12R1.308 CCOC(=O)[C@@H]1CCCCN1C Amb24733765 [0,0,0,1,0,0|1,0,2]=4 156 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1Cl Amb24745760 [0,0,0,1,0,0|1,0,2]=4 157 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N Amb1993724 [0,0,0,1,0,0|1,0,2]=4 158 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N Amb1993766 [0,0,0,1,0,0|1,0,2]=4 159 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1N Amb1994027 [0,0,0,1,0,0|1,0,2]=4 160 B12R1.308 CCOC(=O)[C@H]1C=CCC[C@@H]1O Amb24544462 [0,0,0,1,0,0|1,0,2]=4 161 B12R1.308 CCOC(=O)[C@H]1CCCC[C@@H]1Cl Amb25176071 [0,0,0,1,0,0|1,0,2]=4 162 B12R1.308 CCOC(=O)[C@H]1CCCC[C@H]1Cl Amb25302323 [0,0,0,1,0,0|1,0,2]=4 163 B12R1.308 CCOC(=O)[C@H]1CCCC[C@H]1N Amb10844965 [0,0,0,1,0,0|1,0,2]=4 164 B12R1.308 CCOC(=O)[C@H]1CCCC[C@H]1N Amb22224866 [0,0,0,1,0,0|1,0,2]=4 165 B12R1.308 CCOC(=O)[C@H]1CCCC[C@H]1O Amb25205011 [0,0,0,1,0,0|1,0,2]=4 166 B12R1.308 CCSC(=O)C1=CCCCC1O Amb24397998 [0,0,0,1,0,0|1,1,0]=3 167 B12R1.308 C[C@@H]1CCNC[C@@H]1C(=O)OCC Amb25198719 [0,0,0,1,0,0|1,0,2]=4 168 B12R1.308 C[C@@H]1CNCC[C@@H]1C(=O)OCC Amb23439038 [0,0,0,1,0,0|1,0,2]=4 169 B12R1.308 C[C@@H]1NCCC[C@@H]1C(=O)OCC Amb23399686 [0,0,0,1,0,0|1,0,2]=4 170 B12R1.308 C[C@@H]1NCCC[C@H]1C(=O)OCC Amb22756601 [0,0,0,1,0,0|1,0,2]=4 171 B12R1.308 C[C@@H]1OCCN[C@H]1C(=O)OCC Amb25299170 [0,0,0,1,0,0|2,0,1]=4 172 B12R1.308 C[C@H]1CNCC[C@H]1C(=O)OCC Amb24542900 [0,0,0,1,0,0|1,0,2]=4 173 B12R1.308 C[C@H]1NCCC[C@@H]1C(=O)OCC Amb22736672 [0,0,0,1,0,0|1,0,2]=4 174 B12R1.308 C[C@H]1NCCC[C@H]1C(=O)OCC Amb25288471 [0,0,0,1,0,0|1,0,2]=4 175 B12R1.308 C\C(=C\CO)\C1=CCCCC1C Amb25058606 [0,0,0,1,0,0|3,0,0]=4 176 B12R1.310 CCOC(=O)CCCNC1CC1 Amb21963937 [0,0,0,1,0,0|1,0,2]=4 177 B12R1.316 CCC1CCCN1C(=O)NCC Amb25096171 [0,0,0,1,0,0|2,0,1]=4 178 B12R1.316 CCN1CCC[C@@H]1C(=O)OCC Amb24325301 [0,0,0,1,0,0|1,0,2]=4 179 B12R1.316 CCN1CCC[C@H]1C(=O)OCC Amb22225486 [0,0,0,1,0,0|1,0,2]=4 180 B12R1.316 CCOC(=O)C1CCCN1CC Amb16186925 [0,0,0,1,0,0|1,0,2]=4 181 B12R1.316 CCOC(=O)N1CCCC1CO Amb18789977 [0,0,0,1,0,0|2,0,1]=4 182 B12R1.316 CCOC(=O)c1cn[nH]c1CC Amb10605210 [0,0,0,1,0,0|2,0,1]=4 183 B12R1.316 CCOC(=O)c1cnoc1CC Amb10605163 [0,0,0,1,0,0|2,0,1]=4 184 B12R1.316 CC[n]1[n]ccc1C(=O)OCC Amb20619743 [0,0,0,1,0,0|2,0,1]=4 185 B12R1.318 CC1CCCC1NC(=O)NCC Amb25358426 [0,0,0,1,0,0|2,0,1]=4 186 B12R1.318 CC1CSCC1NC(=O)OCC Amb25854791 [0,0,0,1,0,0|2,0,1]=4 187 B12R1.318 CC1NCCC1NC(=O)OCC Amb25793840 [0,0,0,1,0,0|2,0,1]=4 188 B12R1.318 CCNC(=O)CN1CCCC1C Amb24691265 [0,0,0,1,0,0|2,0,1]=4 189 B12R1.318 CCOC(=O)NC1CCCC1Cl Amb25758854 [0,0,0,1,0,0|2,0,1]=4 190 B12R1.318 CCOC(=O)NC1CCCC1N Amb25189613 [0,0,0,1,0,0|2,0,1]=4 191 B12R1.318 CCOC(=O)NC1CCCC1O Amb25084612 [0,0,0,1,0,0|2,0,1]=4 192 B12R1.318 CCOC(=O)N[C@@H]1CCC[C@H]1O Amb25324575 [0,0,0,1,0,0|2,0,1]=4 193 B12R1.318 CCOC(=O)\C=C/1\CCCC1=O Amb24722973 [0,0,0,1,0,0|1,0,1]=3 194 B12R1.318 CCOC(=O)\C=C/1\CCCC1C Amb25096628 [0,0,0,1,0,0|0,0,0]=1 195 B12R1.318 CCOC(=O)\C=C/1\CCOC1C Amb25036536 [0,0,0,1,0,0|1,0,0]=2 196 B12R1.318 CCOC(=O)\C=C/1\COCC1O Amb25817096 [0,0,0,1,0,0|2,0,0]=3 197 B12R1.318 CCOC(=O)\C=C\1/CCCC1=O Amb25066318 [0,0,0,1,0,0|1,0,1]=3 198 B12R1.318 CCOC(=O)\C=C\1/NCCN1C Amb22435260 [0,0,0,1,0,0|2,0,0]=3 199 B12R1.348 CCCCC1CC=CC(=O)C=C1 Amb25092911 [0,0,0,1,0,0|1,0,1]=3 200 B12R1.348 CCCCC1CCCC(O)C=C1 Amb24705745 [0,0,0,1,0,0|1,0,2]=4 201 B12R1.348 COCOC1CCCC(=O)C=C1 Amb25086577 [0,0,0,1,0,0|3,0,0]=4 202 B12R1.372 CCCCCCC1CCOC1=O Amb22230226 [0,0,0,1,0,0|0,0,2]=3 203 B12R1.372 CCCCC\C=C\1/CCCC1=O Amb22359638 [0,0,0,1,0,0|1,0,0]=2 204 B12R1.372 O=C/1CCC\C1=C\NCCCCl Amb25109976 [0,0,0,1,0,0|3,0,0]=4 205 B12R1.535 CCCN1CCC1C(=O)OCC Amb23441736 [0,0,0,1,0,0|1,0,2]=4 206 B12R1.1564 C#CCC(=O)C=1CCCCCC1 Amb25159797 [0,0,0,1,0,0|1,0,2]=4 207 B12R1.1564 CCCC(=O)C1CCCCCC1 Amb25126365 [0,0,0,1,0,0|1,0,2]=4 208 B12R1.1564 CCCC(=O)C1CCCCCN1 Amb24644080 [0,0,0,1,0,0|2,0,1]=4 209 B12R1.1564 CCCC(=O)C=1CCCCCC1 Amb18801145 [0,0,0,1,0,0|1,0,0]=2 210 B12R1.1564 CCCC(N)C=1CCCCCC1 Amb18805767 [0,0,0,1,0,0|2,0,1]=4 211 B12R1.1564 CCCC(O)C=1CCCCCC1 Amb18806013 [0,0,0,1,0,0|1,0,2]=4 212 B12R1.1564 CCNC(=O)C1CCCCCN1 Amb23585565 [0,0,0,1,0,0|2,0,1]=4 213 B12R1.1564 CCNC(=O)N1CCCCCC1 Amb25090627 [0,0,0,1,0,0|2,0,1]=4 214 B12R1.1564 CCNC(=O)N1CCCCCO1 Amb25317076 [0,0,0,1,0,0|3,0,0]=4 215 B12R1.1564 CCNC(C)C=1CCCCCC1 Amb18805766 [0,0,0,1,0,0|2,0,1]=4 216 B12R1.1564 CCOC(=O)C1=CCCCCO1 Amb24698187 [0,0,0,1,0,0|1,0,0]=2 217 B12R1.1564 CCOC(=O)C1CCCCCC1 Amb18801871 [0,0,0,1,0,0|0,0,2]=3 218 B12R1.1564 CCOC(=O)C1CCCCCN1 Amb20669408 [0,0,0,1,0,0|1,0,1]=3 219 B12R1.1564 CCOC(=O)C1CCCNCC1 Amb22491483 [0,0,0,1,0,0|1,0,2]=4 220 B12R1.1564 CCOC(=O)C1CCCNCC1 Amb22756039 [0,0,0,1,0,0|1,0,2]=4 221 B12R1.1564 CCOC(=O)C1CNCCCC1 Amb22886303 [0,0,0,1,0,0|1,0,2]=4 222 B12R1.1564 CCOC(=O)C1CNCCCC1 Amb25703141 [0,0,0,1,0,0|1,0,2]=4 223 B12R1.1564 CCOC(=O)N1CCCOCC1 Amb25151022 [0,0,0,1,0,0|2,0,1]=4 224 B12R1.1564 CCOC(=O)N1CCCSCC1 Amb25152317 [0,0,0,1,0,0|2,0,1]=4 225 B12R1.1564 CCOC(=O)[C@H]1CCCCCN1 Amb24685363 [0,0,0,1,0,0|1,0,1]=3 226 B12R1.1564 CCSC(=O)N1CCCCCC1 Amb22234880 [0,0,0,1,0,0|1,1,1]=4 227 B12R1.1564 [N-]=[N+]=NC(=O)C=1CCCCCC1 Amb25159258 [0,0,0,1,0,0|3,0,0]=4 228 B9R0.5 BrCCCCC(=O)NCC Amb17239684 [2,0,0,0,0,0|2,0,0]=4 229 B9R0.5 BrCCCNC(=O)OCC Amb10608871 [2,0,0,0,0,0|2,0,0]=4 230 B9R0.5 CC=C\C=C\C(=O)OCC Amb25115104 [2,0,0,0,0,0|0,0,2]=4 231 B9R0.5 CCCC(=O)CCCCBr Amb25844585 [2,0,0,0,0,0|2,0,0]=4 232 B9R0.5 CCCC(=O)CCCCCl Amb25777036 [2,0,0,0,0,0|2,0,0]=4 233 B9R0.5 CCCC(=O)CCCCF Amb24462311 [2,0,0,0,0,0|2,0,0]=4 234 B9R0.5 CCCC(=O)CCCNC Amb24400968 [2,0,0,0,0,0|2,0,0]=4 235 B9R0.5 CCCC(=O)CCNCC Amb24568186 [2,0,0,0,0,0|2,0,0]=4 236 B9R0.5 CCCC(=O)CCOCC Amb25203937 [2,0,0,0,0,0|2,0,0]=4 237 B9R0.5 CCCCCC(=O)CCN Amb25061132 [2,0,0,0,0,0|2,0,0]=4 238 B9R0.5 CCCCCC(=O)CSC Amb18182560 [2,0,0,0,0,0|2,0,0]=4 239 B9R0.5 CCCCCC(=O)NCO Amb24478944 [2,0,0,0,0,0|2,0,0]=4 240 B9R0.5 CCCCCC(=O)OC=C Amb17938956 [2,0,0,0,0,0|0,0,2]=4 241 B9R0.5 CCCCCC(=O)OCCl Amb24568887 [2,0,0,0,0,0|1,0,0]=3 242 B9R0.5 CCCCCC(=S)NCC Amb25375522 [2,0,0,0,0,0|1,1,0]=4 243 B9R0.5 CCCCCC(Cl)OCC Amb25298178 [2,0,0,0,0,0|1,0,1]=4 244 B9R0.5 CCCCNC(=O)OCC Amb10552892 [2,0,0,0,0,0|1,0,0]=3 245 B9R0.5 CCCCNC(=O)OCCl Amb25703550 [2,0,0,0,0,0|2,0,0]=4 246 B9R0.5 CCCCNC(=O)OCF Amb24681120 [2,0,0,0,0,0|2,0,0]=4 247 B9R0.5 CCCCNC(=O)SCC Amb25131164 [2,0,0,0,0,0|1,1,0]=4 248 B9R0.5 CCCCSC(=O)OCCl Amb24482256 [2,0,0,0,0,0|2,0,0]=4 249 B9R0.5 CCCNCC(=O)CCC Amb25041554 [2,0,0,0,0,0|2,0,0]=4 250 B9R0.5 CCCOCC(=O)CCC Amb25331735 [2,0,0,0,0,0|2,0,0]=4 251 B9R0.5 CCCOCC(=O)NCC Amb25336196 [2,0,0,0,0,0|2,0,0]=4 252 B9R0.5 CCCONC(=O)OCC Amb25046316 [2,0,0,0,0,0|2,0,0]=4 253 B9R0.5 CCCSCC(=O)CCC Amb18800477 [2,0,0,0,0,0|2,0,0]=4 254 B9R0.5 CCC\C=C\C(=O)CCC Amb17593554 [2,0,0,0,0,0|1,0,0]=3 255 B9R0.5 CCC\C=C\C(=O)COC Amb24432144 [2,0,0,0,0,0|2,0,0]=4 256 B9R0.5 CCC\C=C\C(=O)NCC Amb24353919 [2,0,0,0,0,0|1,0,0]=3 257 B9R0.5 CCC\C=C\C(=O)OCC Amb22001054 [2,0,0,0,0,0|0,0,0]=2 258 B9R0.5 CCNC(=O)CCCCN Amb24657917 [2,0,0,0,0,0|2,0,0]=4 259 B9R0.5 CCNC(=O)CCCSC Amb18411856 [2,0,0,0,0,0|2,0,0]=4 260 B9R0.5 CCNC(=O)CCNCC Amb20171977 [2,0,0,0,0,0|2,0,0]=4 261 B9R0.5 CCOC(=O)CC#CCC Amb25057125 [2,0,0,0,0,0|0,0,2]=4 262 B9R0.5 CCOC(=O)CCC#CC Amb17939773 [2,0,0,0,0,0|0,0,2]=4 263 B9R0.5 CCOC(=O)CCCC#C Amb18115788 [2,0,0,0,0,0|0,0,2]=4 264 B9R0.5 CCOC(=O)CCCC#N Amb16233123 [2,0,0,0,0,0|1,0,1]=4 265 B9R0.5 CCOC(=O)CCCC=O Amb22230665 [2,0,0,0,0,0|1,0,1]=4 266 B9R0.5 CCOC(=O)CCCCCl Amb24445064 [2,0,0,0,0,0|1,0,0]=3 267 B9R0.5 CCOC(=O)CCCCN Amb19957938 [2,0,0,0,0,0|1,0,0]=3 268 B9R0.5 CCOC(=O)CCCCS Amb25246862 [2,0,0,0,0,0|1,0,0]=3 269 B9R0.5 CCOC(=O)CCCSC Amb25058939 [2,0,0,0,0,0|1,0,0]=3 270 B9R0.5 CCOC(=O)CCC[Zn]Br Amb22000359 [2,0,0,0,0,0|2,0,0]=4 271 B9R0.5 CCOC(=O)CCSCCl Amb25109198 [2,0,0,0,0,0|2,0,0]=4 272 B9R0.5 CCOC(=O)CNCCN Amb24090356 [2,0,0,0,0,0|2,0,0]=4 273 B9R0.5 CCOC(=O)CNCCS Amb25032631 [2,0,0,0,0,0|2,0,0]=4 274 B9R0.5 CCOC(=O)COCCCl Amb19958740 [2,0,0,0,0,0|2,0,0]=4 275 B9R0.5 CCOC(=O)COCCN Amb25850783 [2,0,0,0,0,0|2,0,0]=4 276 B9R0.5 CCOC(=O)COCCO Amb24113532 [2,0,0,0,0,0|2,0,0]=4 277 B9R0.5 CCOC(=O)CSCCF Amb25220848 [2,0,0,0,0,0|2,0,0]=4 278 B9R0.5 CCOC(=O)NCCCN Amb24546405 [2,0,0,0,0,0|2,0,0]=4 279 B9R0.5 CCOC(=O)NCCOC Amb17792634 [2,0,0,0,0,0|2,0,0]=4 280 B9R0.5 CCOC(=O)OCCCF Amb24088656 [2,0,0,0,0,0|2,0,0]=4 281 B9R0.5 CCOC(=O)OCCCN Amb25840265 [2,0,0,0,0,0|2,0,0]=4 282 B9R0.5 CCOC(=O)OCCNC Amb25742600 [2,0,0,0,0,0|2,0,0]=4 283 B9R0.5 CCOC(=O)\C=C/OCC Amb24605673 [2,0,0,0,0,0|1,0,0]=3 284 B9R0.5 CCOC(=O)\C=C\CC=C Amb25242691 [2,0,0,0,0,0|0,0,2]=4 285 B9R0.5 CCOC(=O)\C=C\CCBr Amb24653674 [2,0,0,0,0,0|1,0,0]=3 286 B9R0.5 CCOC(=O)\C=C\CCCl Amb24378086 [2,0,0,0,0,0|1,0,0]=3 287 B9R0.5 CCOC(=O)\C=C\CCN Amb24413568 [2,0,0,0,0,0|1,0,0]=3 288 B9R0.5 CCOC(=O)\C=C\CSC Amb25330386 [2,0,0,0,0,0|1,0,0]=3 289 B9R0.5 CCOC(=O)\C=C\NCC Amb22732261 [2,0,0,0,0,0|1,0,0]=3 290 B9R0.5 CCOC=NC(=O)OCC Amb25207372 [2,0,0,0,0,0|2,0,0]=4 291 B9R0.5 CCOCNC(=O)OCC Amb25117140 [2,0,0,0,0,0|2,0,0]=4 292 B9R0.5 CCO\C=C\C(=O)CCC Amb24746824 [2,0,0,0,0,0|2,0,0]=4 293 B9R0.5 CCO\C=N\C(=O)OCC Amb23569349 [2,0,0,0,0,0|2,0,0]=4 294 B9R0.5 CCSC(=O)CCCCO Amb25806700 [2,0,0,0,0,0|1,1,0]=4 295 B9R0.5 CCS\C=C\C(=O)CCC Amb25146559 [2,0,0,0,0,0|2,0,0]=4 296 B9R0.5 CC\C=C\CC(=O)OCC Amb10071538 [2,0,0,0,0,0|0,0,2]=4 297 B9R0.5 COCSCC(=O)OCC Amb24482667 [2,0,0,0,0,0|2,0,0]=4 298 B9R0.5 C\C=C/C(=O)CCCCC Amb25086296 [2,0,0,0,0,0|1,0,1]=4 299 B9R0.5 C\C=C/C(=O)\C=C\CCC Amb24724045 [2,0,0,0,0,0|1,0,1]=4 300 B9R0.5 C\C=C\C(=O)CCCCC Amb25146367 [2,0,0,0,0,0|1,0,1]=4 301 B9R0.5 C\C=C\CCC(=O)OCC Amb25242775 [2,0,0,0,0,0|0,0,2]=4 302 B9R0.5 NCCCCC(=O)OCC Amb10807401 [2,0,0,0,0,0|1,0,0]=3 303 B9R0.5 O=C(CCCCCl)OCCl Amb24692453 [2,0,0,0,0,0|2,0,0]=4 304 B9R0.5 OCCCCC(=O)NCC Amb17231999 [2,0,0,0,0,0|2,0,0]=4 305 B9R0.5 OCCCCC(=O)OCC Amb17593658 [2,0,0,0,0,0|1,0,0]=3 306 B9R0.5 [C-]#[N+]CCCC(=O)OCC Amb2235706 [2,0,0,0,0,0|1,0,1]=4 307 B9R0.45 CC=CC=CCCCCO Amb22231339 [2,0,0,0,0,0|1,0,1]=4 308 B9R0.45 CCCCC=CC=CCO Amb22228348 [2,0,0,0,0,0|1,0,1]=4 309 B9R0.45 CCCCCC=C=CCN Amb25680152 [2,0,0,0,0,0|1,0,1]=4 310 B9R0.45 CCCCCC=C=CCO Amb25357386 [2,0,0,0,0,0|1,0,1]=4 311 B9R0.45 CCCCCC=NOCC Amb25726956 [2,0,0,0,0,0|1,0,0]=3 312 B9R0.45 CCCCCCNOCC Amb24415602 [2,0,0,0,0,0|1,0,1]=4 313 B9R0.45 CCCCCC\C=C/CO Amb10807383 [2,0,0,0,0,0|1,0,1]=4 314 B9R0.45 CCCCCC\C=C\CBr Amb25046739 [2,0,0,0,0,0|1,0,1]=4 315 B9R0.45 CCCCCC\C=C\CCl Amb25728404 [2,0,0,0,0,0|1,0,1]=4 316 B9R0.45 CCCCCC\C=C\CO Amb22168300 [2,0,0,0,0,0|1,0,1]=4 317 B9R0.45 CCCCCSCOCC Amb25143190 [2,0,0,0,0,0|1,0,1]=4 318 B9R0.45 CCCCCS\C=C\CN Amb24482088 [2,0,0,0,0,0|2,0,0]=4 319 B9R0.45 CCCCCS\C=C\CO Amb24414212 [2,0,0,0,0,0|2,0,0]=4 320 B9R0.45 CCCCC\C=C\C=CCl Amb24561711 [2,0,0,0,0,0|1,0,1]=4 321 B9R0.45 CCCCC\C=C\C=CN Amb25224315 [2,0,0,0,0,0|1,0,1]=4 322 B9R0.45 CCCCC\C=C\CCN Amb25123460 [2,0,0,0,0,0|1,0,1]=4 323 B9R0.45 CCCC\C=C\C=C\CO Amb22732540 [2,0,0,0,0,0|1,0,1]=4 324 B9R0.45 CCC\C=C/CCCCC Amb22230436 [2,0,0,0,0,0|0,0,1]=3 325 B9R0.45 CCC\C=C/CCCCCl Amb25727693 [2,0,0,0,0,0|1,0,1]=4 326 B9R0.45 CCC\C=C\C=C\CCC Amb22641685 [2,0,0,0,0,0|1,0,1]=4 327 B9R0.45 CCC\C=C\CCCCBr Amb25298401 [2,0,0,0,0,0|1,0,1]=4 328 B9R0.45 CCC\C=C\CCCCC Amb22231673 [2,0,0,0,0,0|0,0,1]=3 329 B9R0.45 CCC\C=C\CCCCCl Amb24540817 [2,0,0,0,0,0|1,0,1]=4 330 B9R0.45 CCC\C=C\CCNCC Amb25032115 [2,0,0,0,0,0|1,0,1]=4 331 B9R0.45 CCC\C=N\CCCCC Amb18090835 [2,0,0,0,0,0|1,0,1]=4 332 B9R0.45 CCNCC\C=C\COC Amb25771490 [2,0,0,0,0,0|1,0,1]=4 333 B9R0.45 CCOC=CCCCCC Amb22227936 [2,0,0,0,0,0|0,0,0]=2 334 B9R0.45 CCON=CCCCCO Amb24686396 [2,0,0,0,0,0|2,0,0]=4 335 B9R0.45 CCSCCC=NOCC Amb25807197 [2,0,0,0,0,0|2,0,0]=4 336 B9R0.45 CC\C=C/C=C/CCCBr Amb24597283 [2,0,0,0,0,0|1,0,1]=4 337 B9R0.45 CC\C=C/CCCCCC Amb22230427 [2,0,0,0,0,0|0,0,1]=3 338 B9R0.45 CC\C=C\C=CCCCBr Amb24656034 [2,0,0,0,0,0|1,0,1]=4 339 B9R0.45 CC\C=C\C=CCCCO Amb24466260 [2,0,0,0,0,0|1,0,1]=4 340 B9R0.45 CC\C=C\CCCCCBr Amb25224953 [2,0,0,0,0,0|1,0,1]=4 341 B9R0.45 CC\C=C\CCCCCC Amb22231672 [2,0,0,0,0,0|0,0,1]=3 342 B9R0.45 CC\C=C\CCNCCC Amb25066619 [2,0,0,0,0,0|1,0,1]=4 343 B9R0.45 COCCCC=NOCC Amb25307300 [2,0,0,0,0,0|2,0,0]=4 344 B9R0.45 COC\C=C\CCCCO Amb25125960 [2,0,0,0,0,0|1,0,1]=4 345 B9R0.45 CO\C=C\CCCCCBr Amb24477215 [2,0,0,0,0,0|1,0,1]=4 346 B9R0.45 C\C=C/C=C\CCCCC Amb22641684 [2,0,0,0,0,0|0,0,1]=3 347 B9R0.45 C\C=C\C=CCCCCBr Amb25206214 [2,0,0,0,0,0|1,0,1]=4 348 B9R0.45 C\C=C\C=CCCCCO Amb25238019 [2,0,0,0,0,0|1,0,1]=4 349 B9R0.45 OCCCCC\C=C/CC Amb10807384 [2,0,0,0,0,0|1,0,1]=4 350 B9R0.46 CCC(=O)CCCCCBr Amb25276919 [2,0,0,0,0,0|1,0,1]=4 351 B9R0.46 CCC(=O)CCCCCCl Amb24538039 [2,0,0,0,0,0|1,0,1]=4 352 B9R0.46 CCC(=O)CCCCCF Amb24596312 [2,0,0,0,0,0|1,0,1]=4 353 B9R0.46 CCC(=O)CCCCOC Amb25797343 [2,0,0,0,0,0|1,0,1]=4 354 B9R0.46 CCC(=O)NCCCCBr Amb24627589 [2,0,0,0,0,0|2,0,0]=4 355 B9R0.46 CCC(=O)NCCCOC Amb17775258 [2,0,0,0,0,0|2,0,0]=4 356 B9R0.46 CCC(=O)OCCCCF Amb25769054 [2,0,0,0,0,0|2,0,0]=4 357 B9R0.46 CCC(=O)\C=C/CCC=O Amb25695392 [2,0,0,0,0,0|1,0,1]=4 358 B9R0.46 CCC(=O)\C=C\C=C\CC Amb25046076 [2,0,0,0,0,0|0,0,2]=4 359 B9R0.46 CCC(=O)\C=C\CCC=O Amb24697805 [2,0,0,0,0,0|1,0,1]=4 360 B9R0.46 CCC(=O)\C=C\CCCC Amb24580499 [2,0,0,0,0,0|0,0,0]=2 361 B9R0.46 CCC(=O)\C=C\NCCC Amb24690189 [2,0,0,0,0,0|1,0,0]=3 362 B9R0.46 CCC(C)=CCCCCO Amb25257108 [2,0,0,0,0,0|2,0,0]=4 363 B9R0.46 CCCC=C=CC(=O)CC Amb25768525 [2,0,0,0,0,0|0,0,2]=4 364 B9R0.46 CCCCCCC(=O)CBr Amb24078361 [2,0,0,0,0,0|1,0,1]=4 365 B9R0.46 CCCCCCC(=O)CCl Amb24078365 [2,0,0,0,0,0|1,0,1]=4 366 B9R0.46 CCCCCCC(=O)CN Amb25731786 [2,0,0,0,0,0|1,0,1]=4 367 B9R0.46 CCCCCCC(=O)CS Amb25146854 [2,0,0,0,0,0|1,0,1]=4 368 B9R0.46 CCCCCNC(=O)CBr Amb17331497 [2,0,0,0,0,0|2,0,0]=4 369 B9R0.46 CCCCCNC(=O)CC Amb17736727 [2,0,0,0,0,0|1,0,0]=3 370 B9R0.46 CCCCCNC(=O)CCl Amb1225540 [2,0,0,0,0,0|2,0,0]=4 371 B9R0.46 CCCCCNC(=O)CF Amb25726850 [2,0,0,0,0,0|2,0,0]=4 372 B9R0.46 CCCCCNC(=O)CO Amb17334236 [2,0,0,0,0,0|2,0,0]=4 373 B9R0.46 CCCCCNC(=O)OC Amb17918558 [2,0,0,0,0,0|1,0,0]=3 374 B9R0.46 CCCCCOC(=O)CBr Amb22036620 [2,0,0,0,0,0|2,0,0]=4 375 B9R0.46 CCCCCOC(=O)CN Amb22277108 [2,0,0,0,0,0|2,0,0]=4 376 B9R0.46 CCCCCOC(=O)NC Amb24672684 [2,0,0,0,0,0|2,0,0]=4 377 B9R0.46 CCCCC\C=C(/C)\CBr Amb24597156 [2,0,0,0,0,0|2,0,0]=4 378 B9R0.46 CCCCC\C=C(\C)/CBr Amb24583665 [2,0,0,0,0,0|2,0,0]=4 379 B9R0.46 CCCCC\C=C(\F)/CCl Amb24480542 [2,0,0,0,0,0|2,0,0]=4 380 B9R0.46 CCCCN=CC(=O)CC Amb24614282 [2,0,0,0,0,0|1,0,0]=3 381 B9R0.46 CCCCNCC(=O)CC Amb24478874 [2,0,0,0,0,0|1,0,1]=4 382 B9R0.46 CCCCSCC(=O)CC Amb18800474 [2,0,0,0,0,0|1,0,1]=4 383 B9R0.46 CCCC\C=C\C(=O)CBr Amb25068266 [2,0,0,0,0,0|1,0,0]=3 384 B9R0.46 CCCC\C=C\C(=O)OC Amb25339041 [2,0,0,0,0,0|0,0,0]=2 385 B9R0.46 CCCC\N=C\C(=O)CC Amb25807606 [2,0,0,0,0,0|1,0,0]=3 386 B9R0.46 CCCNCCC(=O)CC Amb25366402 [2,0,0,0,0,0|1,0,1]=4 387 B9R0.46 CCCN\C=C\C(=O)OC Amb24413519 [2,0,0,0,0,0|1,0,0]=3 388 B9R0.46 CCC\C=C\NC(=O)OC Amb25128007 [2,0,0,0,0,0|1,0,1]=4 389 B9R0.46 CCNCCCC(=O)OC Amb22886193 [2,0,0,0,0,0|1,0,1]=4 390 B9R0.46 CCNCCNC(=O)OC Amb24727935 [2,0,0,0,0,0|2,0,0]=4 391 B9R0.46 CCNC\C=C\C(=O)OC Amb25266108 [2,0,0,0,0,0|1,0,0]=3 392 B9R0.46 CCSCCNC(=O)OC Amb24747719 [2,0,0,0,0,0|2,0,0]=4 393 B9R0.46 CC[C@@H](O)\C=C\CCCC Amb24379864 [2,0,0,0,0,0|0,0,2]=4 394 B9R0.46 CC[C@H](O)\C=C\CCCC Amb25806713 [2,0,0,0,0,0|0,0,2]=4 395 B9R0.46 CC\C(\C)=C\CCCCBr Amb25857987 [2,0,0,0,0,0|2,0,0]=4 396 B9R0.46 CC\C=C/C=C/C(=O)OC Amb10067166 [2,0,0,0,0,0|0,0,2]=4 397 B9R0.46 CC\C=C\C=CC(=O)OC Amb24606658 [2,0,0,0,0,0|0,0,2]=4 398 B9R0.46 CNCCCCC(=O)OC Amb25725637 [2,0,0,0,0,0|1,0,1]=4 399 B9R0.46 COC(=O)CCCCCCl Amb25703167 [2,0,0,0,0,0|1,0,1]=4 400 B9R0.46 COC(=O)CCCCCI Amb24429888 [2,0,0,0,0,0|1,0,1]=4 401 B9R0.46 COC(=O)CCCCCO Amb22002577 [2,0,0,0,0,0|1,0,1]=4 402 B9R0.46 COC(=O)NCCOCC Amb25851319 [2,0,0,0,0,0|2,0,0]=4 403 B9R0.46 COC(=O)OCCCCN Amb24570668 [2,0,0,0,0,0|2,0,0]=4 404 B9R0.46 COC(=O)OCCCCO Amb25056213 [2,0,0,0,0,0|2,0,0]=4 405 B9R0.46 COC(=O)\C=C/CCC=O Amb25857445 [2,0,0,0,0,0|1,0,1]=4 406 B9R0.46 COC(=O)\C=C\CCC#N Amb18643376 [2,0,0,0,0,0|1,0,1]=4 407 B9R0.46 COC(=O)\C=C\CCC=O Amb18643851 [2,0,0,0,0,0|1,0,1]=4 408 B9R0.46 COC(=O)\C=C\CCCBr Amb24505064 [2,0,0,0,0,0|1,0,0]=3 409 B9R0.46 COC(=O)\C=C\CCCCl Amb24574594 [2,0,0,0,0,0|1,0,0]=3 410 B9R0.46 COC(=O)\C=C\CCCO Amb25724784 [2,0,0,0,0,0|1,0,0]=3 411 B9R0.46 COC(=O)\C=C\CNOC Amb24335207 [2,0,0,0,0,0|2,0,0]=4 412 B9R0.46 COC(=O)\C=C\COCC Amb24655529 [2,0,0,0,0,0|1,0,0]=3 413 B9R0.46 COC(=O)\C=C\NCCF Amb25125393 [2,0,0,0,0,0|2,0,0]=4 414 B9R0.46 COCCCCC(=O)OC Amb25136902 [2,0,0,0,0,0|1,0,1]=4 415 B9R0.46 COCCCNC(=O)OC Amb17737911 [2,0,0,0,0,0|2,0,0]=4 416 B9R0.46 COCCCOC(=O)CC Amb24350143 [2,0,0,0,0,0|2,0,0]=4 417 B9R0.46 C\C(\CC)=C\CCNCC Amb25737459 [2,0,0,0,0,0|2,0,0]=4 418 B9R0.46 C\C=C\C\C=C\C(=O)OC Amb22346863 [2,0,0,0,0,0|0,0,2]=4 419 B9R0.46 NCCCCCC(=O)OC Amb1152885 [2,0,0,0,0,0|1,0,1]=4 420 B9R0.46 NCCCCCC(=O)OC Amb16203805 [2,0,0,0,0,0|1,0,1]=4 421 B9R0.46 NCCCCCC(=O)OC Amb1935045 [2,0,0,0,0,0|1,0,1]=4 422 B9R0.46 NCCCCNC(=O)CC Amb17053701 [2,0,0,0,0,0|2,0,0]=4 423 B9R0.46 OCCCCNC(=O)CC Amb17102978 [2,0,0,0,0,0|2,0,0]=4 424 B9R0.2 CC(=O)\C=C\CCCC#C Amb25205680 [2,0,0,0,0,0|0,0,2]=4 425 B9R0.2 CC(=O)\C=C\CCCC#N Amb24612117 [2,0,0,0,0,0|1,0,1]=4 426 B9R0.2 CC(=O)\C=C\CCCC=O Amb24476998 [2,0,0,0,0,0|1,0,1]=4 427 B9R0.2 CC(=O)\C=C\CCCCBr Amb24477141 [2,0,0,0,0,0|1,0,0]=3 428 B9R0.2 CC(=O)\C=C\CCCCO Amb24518640 [2,0,0,0,0,0|1,0,0]=3 429 B9R0.2 CCC=CCC=CC(C)=O Amb24061730 [2,0,0,0,0,0|0,0,2]=4 430 B9R0.2 CCCC=C\C=C\C(C)=O Amb25274464 [2,0,0,0,0,0|0,0,2]=4 431 B9R0.2 CCCCC=C=CC(=O)O Amb17593544 [2,0,0,0,0,0|0,0,2]=4 432 B9R0.2 CCCCC=C=CC(C)=O Amb24061644 [2,0,0,0,0,0|0,0,2]=4 433 B9R0.2 CCCCCC#CC(C)=O Amb25146663 [2,0,0,0,0,0|0,0,2]=4 434 B9R0.2 CCCCCCC=C(C)C Amb24539575 [2,0,0,0,0,0|1,0,1]=4 435 B9R0.2 CCCCCCCC(O)=O Amb22352272 [2,0,0,0,0,0|0,0,2]=4 436 B9R0.2 CCCCCCCC(O)=O Amb22353407 [2,0,0,0,0,0|0,0,2]=4 437 B9R0.2 CCCCCCC[13C](O)=O Amb20243497 [2,0,0,0,0,0|0,0,2]=4 438 B9R0.2 CCCCCC[13CH2]C(O)=O Amb22367410 [2,0,0,0,0,0|0,0,2]=4 439 B9R0.2 CCCCCC[13CH2][13C](O)=O Amb22367490 [2,0,0,0,0,0|0,0,2]=4 440 B9R0.2 CCCCC\C=C/C(C)=O Amb25783438 [2,0,0,0,0,0|0,0,0]=2 441 B9R0.2 CCCCC\C=C/C(C)C Amb22546691 [2,0,0,0,0,0|1,0,1]=4 442 B9R0.2 CCCCC\C=C\B(O)O Amb10068584 [2,0,0,0,0,0|1,0,1]=4 443 B9R0.2 CCCCC\C=C\C(=O)Cl Amb24754105 [2,0,0,0,0,0|1,0,0]=3 444 B9R0.2 CCCCC\C=C\C(C)=O Amb22052624 [2,0,0,0,0,0|0,0,0]=2 445 B9R0.2 CCCCC\C=C\C(C)C Amb22546757 [2,0,0,0,0,0|1,0,1]=4 446 B9R0.2 CCCCC\C=C\C(N)=N Amb25260868 [2,0,0,0,0,0|2,0,0]=4 447 B9R0.2 CCCCC\C=C\[C@@H](C)O Amb25795409 [2,0,0,0,0,0|0,0,2]=4 448 B9R0.2 CCCCN=CCC(C)=O Amb25276853 [2,0,0,0,0,0|1,0,1]=4 449 B9R0.2 CCCCN\C=C/C(C)=O Amb25348567 [2,0,0,0,0,0|1,0,0]=3 450 B9R0.2 CCCCN\C=C\C(C)=O Amb25147404 [2,0,0,0,0,0|1,0,0]=3 451 B9R0.2 CCCCN\C=C\C(O)=O Amb25703721 [2,0,0,0,0,0|1,0,0]=3 452 B9R0.2 CCCCO\C=C\C(C)=O Amb25146855 [2,0,0,0,0,0|1,0,0]=3 453 B9R0.2 CCCCO\C=C\C(O)=O Amb18644130 [2,0,0,0,0,0|1,0,0]=3 454 B9R0.2 CCCCS\C=C/C(O)=O Amb18645412 [2,0,0,0,0,0|1,0,0]=3 455 B9R0.2 CCCCS\C=C\C(O)=O Amb24380477 [2,0,0,0,0,0|1,0,0]=3 456 B9R0.2 CCCC[13CH2][13CH2][13CH2][13C](O)=O Amb22351826 [2,0,0,0,0,0|0,0,2]=4 457 B9R0.2 CCCC\C=C\NC(C)=O Amb24674131 [2,0,0,0,0,0|1,0,1]=4 458 B9R0.2 CCCC\C=C\OC(C)=O Amb25293926 [2,0,0,0,0,0|1,0,1]=4 459 B9R0.2 CCCON\C=C\C(O)=O Amb24391769 [2,0,0,0,0,0|2,0,0]=4 460 B9R0.2 CCC\C=C\C=CC(C)=O Amb24722296 [2,0,0,0,0,0|0,0,2]=4 461 B9R0.2 CCC\C=C\C=C\C(C)=O Amb25050290 [2,0,0,0,0,0|0,0,2]=4 462 B9R0.2 CCC\C=C\C=C\C(O)=O Amb25836826 [2,0,0,0,0,0|0,0,2]=4 463 B9R0.2 CCSCC\C=C\C(O)=O Amb25200813 [2,0,0,0,0,0|1,0,0]=3 464 B9R0.2 COCCC\C=C\C(C)=O Amb25125817 [2,0,0,0,0,0|1,0,0]=3 465 B9R0.2 COCCN\C=C\C(O)=O Amb24479660 [2,0,0,0,0,0|2,0,0]=4 466 B9R0.2 CSCCS\C=C\C(O)=O Amb24504431 [2,0,0,0,0,0|2,0,0]=4 467 B9R0.2 C[13CH2]CCCCCC(O)=O Amb22367488 [2,0,0,0,0,0|0,0,2]=4 468 B9R0.2 C\C=C\CC\C=C\C(C)=O Amb24402185 [2,0,0,0,0,0|0,0,2]=4 469 B9R0.2 C\C=C\CC\C=C\C(O)=O Amb25111532 [2,0,0,0,0,0|0,0,2]=4 470 B9R0.2 N#CCCC\C=C\C(O)=O Amb25231131 [2,0,0,0,0,0|1,0,1]=4 471 B9R0.2 NCCCC\C=C\C(O)=O Amb24502157 [2,0,0,0,0,0|1,0,0]=3 472 B9R0.2 NCCCN\C=C\C(O)=O Amb25834729 [2,0,0,0,0,0|2,0,0]=4 473 B9R0.2 NCCNC\C=C\C(O)=O Amb24595620 [2,0,0,0,0,0|2,0,0]=4 474 B9R0.2 NCCSC\C=C\C(O)=O Amb25089810 [2,0,0,0,0,0|2,0,0]=4 475 B9R0.2 O=C(Cl)\C=C\CCCCCl Amb25074569 [2,0,0,0,0,0|2,0,0]=4 476 B9R0.2 OC(=O)\C=C\CCCC=O Amb25253849 [2,0,0,0,0,0|1,0,1]=4 477 B9R0.2 OC(=O)\C=C\CCCCBr Amb18130981 [2,0,0,0,0,0|1,0,0]=3 478 B9R0.2 OC(=O)\C=C\CCCCCl Amb18645743 [2,0,0,0,0,0|1,0,0]=3 479 B9R0.2 OC(=O)\C=C\CNCCF Amb24411628 [2,0,0,0,0,0|2,0,0]=4 480 B9R0.2 OC(=O)\C=C\COCCBr Amb25131553 [2,0,0,0,0,0|2,0,0]=4 481 B9R0.2 OCCCC\C=C\C(O)=O Amb18644146 [2,0,0,0,0,0|1,0,0]=3 482 B9R0.2 OCCCS\C=C\C(O)=O Amb25130157 [2,0,0,0,0,0|2,0,0]=4 483 B9R0.2 OCCNC\C=C\C(O)=O Amb24541803 [2,0,0,0,0,0|2,0,0]=4 484 B9R0.2 [13CH3]CCCCCCC(O)=O Amb22367137 [2,0,0,0,0,0|0,0,2]=4 485 B9R0.2 [13CH3][13CH2]CCCCCC(O)=O Amb22367489 [2,0,0,0,0,0|0,0,2]=4 486 B11R0.2 CC(C)OC(=O)CCCCCCl Amb22345913 [1,1,0,0,0,0|1,0,1]=4 487 B11R0.2 CCCCCCC(=O)CC(C)C Amb18802035 [1,1,0,0,0,0|1,0,1]=4 488 B11R0.2 CCCCCOC(=O)CC(C)C Amb22353039 [1,1,0,0,0,0|2,0,0]=4 489 B11R0.5 CCCCC(=O)CC(=O)OCC Amb10604434 [1,1,0,0,0,0|0,0,1]=3 490 B11R0.5 CCCCC(CC(=O)OCC)N Amb10607610 [1,1,0,0,0,0|0,0,1]=3 491 B11R0.5 CCCCC(N)CC(=O)OCC Amb22586905 [1,1,0,0,0,0|0,0,1]=3 492 B11R0.5 CCCCC(O)CC(=O)OCC Amb18803977 [1,1,0,0,0,0|0,0,1]=3 493 B11R0.5 CCOCC(=O)CC(=O)OCC Amb19890255 [1,1,0,0,0,0|1,0,1]=4 494 B11R0.5 CCSCC(=O)CC(=O)OCC Amb20668828 [1,1,0,0,0,0|1,0,1]=4 495 B11R0.5 COCCC(=O)CC(=O)OCC Amb18803903 [1,1,0,0,0,0|1,0,1]=4 496 B11R0.5 OCCN\C(=C/C(=O)OCC)\C Amb2227280 [1,1,0,0,0,0|2,0,0]=4 497 B11R0.81 CCCCCCC(=O)CCCC Amb17940262 [1,1,0,0,0,0|1,0,1]=4 498 B11R0.81 CCCCCOC(=O)CCCC Amb22350606 [1,1,0,0,0,0|2,0,0]=4 499 B11R0.81 CCCCCOC(=O)CCCCl Amb19960302 [1,1,0,0,0,0|2,0,0]=4 500 B11R0.81 CCCOC(=O)CCCCCC Amb22167368 [1,1,0,0,0,0|0,0,1]=3 501 B11R0.155 CCCCCC(Br)C(=O)OCC Amb22500132 [1,1,0,0,0,0|0,0,1]=3 502 B11R0.155 CCCCNC(=O)C(=O)NCC Amb1792429 [1,1,0,0,0,0|2,0,0]=4 503 B11R0.155 CCOC(=O)C(=O)CCCCC Amb19958665 [1,1,0,0,0,0|0,0,0]=2 504 B11R0.155 CCOC(=O)C(Br)CCCCCl Amb24066456 [1,1,0,0,0,0|1,0,1]=4 505 B11R0.155 CCO\C=C\C(=O)C(=O)OCC Amb17594299 [1,1,0,0,0,0|1,0,1]=4 506 B11R0.155 CN(CCCCC)C(=O)CCC Amb24096793 [1,1,0,0,0,0|2,0,0]=4 507 B11R0.3 CCCCCC\C=C\C=C\CO Amb22732394 [1,1,0,0,0,0|2,0,0]=4 508 B11R0.3 CCCC\C=C\CCCCCC Amb22546624 [1,1,0,0,0,0|1,0,1]=4 509 B11R0.42 CCCCCC\C=C(/C)\C(C)O Amb22546750 [1,1,0,0,0,0|1,0,1]=4 510 B11R0.106 CCC(C)CCCCC(=O)OC Amb22489983 [1,1,0,0,0,0|0,0,2]=4 511 B11R0.111 COC(=O)CCCCCC(C)C Amb22503803 [1,1,0,0,0,0|0,0,2]=4 512 B11R0.154 CCCCCC(=O)CC(=O)OC Amb19515873 [1,1,0,0,0,0|0,0,1]=3 513 B11R0.154 CCCCCC(O)CC(=O)OC Amb21928835 [1,1,0,0,0,0|0,0,2]=4 514 B11R0.154 CCCCNC(=O)CC(=O)OC Amb17400389 [1,1,0,0,0,0|1,0,1]=4 515 B13R0.2 CCCC(=O)OC\C=C\CCCCC Amb22732984 [0,2,0,0,0,0|1,0,0]=3 516 B13R0.2 CCCCCCNCCC(=O)OCC Amb18334458 [0,2,0,0,0,0|0,0,2]=4 517 B13R0.2 CCCCC\C=C\CCC(=O)OCC Amb22052631 [0,2,0,0,0,0|0,0,0]=2 518 B13R0.2 CCOC(=O)CCCCCCCCBr Amb21520303 [0,2,0,0,0,0|0,0,2]=4 519 B13R0.2 CCOC(=O)\C=C\CCCCCCC Amb22035135 [0,2,0,0,0,0|0,0,0]=2 520 B13R0.2 CCOCCCCOCC(=O)OCC Amb24103488 [0,2,0,0,0,0|0,0,2]=4 521 B13R0.2 OCCCCCCCCC(=O)OCC Amb17613857 [0,2,0,0,0,0|0,0,2]=4 522 B13R0.66 CCCCCCCCC(=O)OCCC Amb22734143 [0,2,0,0,0,0|0,0,2]=4 523 B13R0.66 CCCCCC\C=C\C(=O)OCC=C Amb17933928 [0,2,0,0,0,0|0,0,1]=3 524 B13R0.193 CCCCNC(=O)NNC(=O)OCC Amb2389250 [0,2,0,0,0,0|2,0,0]=4 525 B13R0.193 CCOC(=O)NNC(=O)CCCCC Amb21445752 [0,2,0,0,0,0|1,0,0]=3 526 B13R0.275 CCCCCCCC(Br)C(=O)OCC Amb24066457 [0,2,0,0,0,0|0,0,2]=4 527 B13R0.275 CCOC(=O)C(=O)\C=C\OCCCC Amb22900254 [0,2,0,0,0,0|0,0,1]=3 528 B13R0.275 C\C(=C/CCCCCC)\C(=O)OCC Amb22347682 [0,2,0,0,0,0|0,0,0]=2 529 B13R0.330 OCCCCN\C(=C/C(=O)OCC)\C Amb2227281 [0,2,0,0,0,0|1,0,0]=3 530 B13R0.367 CCOC(=O)CC\C=C\C(=O)OCC Amb24117844 [0,2,0,0,0,0|0,0,1]=3 531 B13R0.367 CCOC(=O)C\C=C\CC(=O)OCC Amb22231661 [0,2,0,0,0,0|1,0,1]=4 532 B13R0.286 CCCCC\C=C\C(=O)OC(C)(C)C Amb22364928 [0,2,0,0,0,0|0,0,0]=2 533 B13R0.176 CCCOC(=O)\C=C/C(=O)OCCC Amb22346557 [0,2,0,0,0,0|1,0,1]=4 534 B13R0.806 CCCCCCC(C)(N)C(=O)OCC Amb19049703 [0,2,0,0,0,0|0,0,2]=4 535 B13R0.806 CCCCCCC(F)(F)C(=O)OCC Amb19888969 [0,2,0,0,0,0|0,0,2]=4 536 B13R0.154 CCCCCCCC(=O)OCC(C)C Amb22732213 [0,2,0,0,0,0|0,0,2]=4 537 B13R0.154 CCCCCCCC(=O)OCC(C)O Amb22731171 [0,2,0,0,0,0|0,0,2]=4 538 B13R0.338 CCCCOC(=O)CCCCCCC Amb22734044 [0,2,0,0,0,0|0,0,2]=4 539 B13R0.331 CC(C)=CCC\C(\C)=C\C(=O)OCC Amb22230684 [0,2,0,0,0,0|0,0,2]=4 540 B13R0.331 CCOC(=O)CC(=O)CCCC(C)C Amb22432218 [0,2,0,0,0,0|0,0,1]=3 541 B11R1.4 CCCCCNC1=NCCO1 Amb25383581 [1,0,0,1,0,0|2,0,0]=4 542 B11R1.4 CCCC\C=C\C1OCCO1 Amb24628432 [1,0,0,1,0,0|0,0,2]=4 543 B11R1.16 CCCC(=O)C1CCCCC1 Amb18179555 [1,0,0,1,0,0|1,0,1]=4 544 B11R1.16 CCCC(=O)C=1CCCCC1 Amb18182809 [1,0,0,1,0,0|1,0,0]=3 545 B11R1.16 CCCC(=O)C=1CCCOC1 Amb24528954 [1,0,0,1,0,0|2,0,0]=4 546 B11R1.16 CCNC(=O)C=1CCCCC1 Amb25078841 [1,0,0,1,0,0|1,0,0]=3 547 B11R1.16 CCNC(=O)C=1CCCOC1 Amb25740264 [1,0,0,1,0,0|2,0,0]=4 548 B11R1.16 CCNC(=O)C=1CCOCC1 Amb25163148 [1,0,0,1,0,0|2,0,0]=4 549 B11R1.16 CCOC(=N)C1CCCCC1 Amb18179612 [1,0,0,1,0,0|1,0,1]=4 550 B11R1.16 CCOC(=O)C1=CCC=CC1 Amb17611462 [1,0,0,1,0,0|0,0,2]=4 551 B11R1.16 CCOC(=O)C1=CCCCN1 Amb24061335 [1,0,0,1,0,0|1,0,0]=3 552 B11R1.16 CCOC(=O)C1=CCCCO1 Amb25711566 [1,0,0,1,0,0|1,0,0]=3 553 B11R1.16 CCOC(=O)C1=CNCCN1 Amb24103479 [1,0,0,1,0,0|2,0,0]=4 554 B11R1.16 CCOC(=O)C1=COCCO1 Amb24408068 [1,0,0,1,0,0|2,0,0]=4 555 B11R1.16 CCOC(=O)C1CCCCN1 Amb1157782 [1,0,0,1,0,0|1,0,1]=4 556 B11R1.16 CCOC(=O)C1CCCCO1 Amb18183255 [1,0,0,1,0,0|1,0,1]=4 557 B11R1.16 CCOC(=O)C1CCNCC1 Amb1953496 [1,0,0,1,0,0|1,0,1]=4 558 B11R1.16 CCOC(=O)C1CCSCC1 Amb24484453 [1,0,0,1,0,0|1,0,1]=4 559 B11R1.16 CCOC(=O)C1CNCCC1 Amb19887540 [1,0,0,1,0,0|1,0,1]=4 560 B11R1.16 CCOC(=O)C1COCCC1 Amb18182346 [1,0,0,1,0,0|1,0,1]=4 561 B11R1.16 CCOC(=O)C1CSCCC1 Amb22232469 [1,0,0,1,0,0|1,0,1]=4 562 B11R1.16 CCOC(=O)C=1CCCC=C1 Amb24528878 [1,0,0,1,0,0|0,0,2]=4 563 B11R1.16 CCOC(=O)C=1CCCCC1 Amb24612358 [1,0,0,1,0,0|0,0,0]=2 564 B11R1.16 CCOC(=O)C=1CCCNC1 Amb22232458 [1,0,0,1,0,0|1,0,0]=3 565 B11R1.16 CCOC(=O)C=1CCCNN1 Amb24062276 [1,0,0,1,0,0|2,0,0]=4 566 B11R1.16 CCOC(=O)C=1CCCOC1 Amb24532943 [1,0,0,1,0,0|1,0,0]=3 567 B11R1.16 CCOC(=O)C=1CCNCC1 Amb18644730 [1,0,0,1,0,0|1,0,0]=3 568 B11R1.16 CCOC(=O)C=1CCOCC1 Amb25344436 [1,0,0,1,0,0|1,0,0]=3 569 B11R1.16 CCOC(=O)C=1CNCCC1 Amb24117865 [1,0,0,1,0,0|1,0,0]=3 570 B11R1.16 CCOC(=O)C=1CNCCC1 Amb25726082 [1,0,0,1,0,0|1,0,0]=3 571 B11R1.16 CCOC(=O)C=1COCCC1 Amb24178914 [1,0,0,1,0,0|1,0,0]=3 572 B11R1.16 CCOC(=O)N1CCCC=C1 Amb24667994 [1,0,0,1,0,0|1,0,1]=4 573 B11R1.16 CCOC(=O)N1CCCCN1 Amb24699569 [1,0,0,1,0,0|2,0,0]=4 574 B11R1.16 CCOC(=O)N1CCCCO1 Amb25269398 [1,0,0,1,0,0|2,0,0]=4 575 B11R1.16 CCOC(=O)N1CCNCC1 Amb10558329 [1,0,0,1,0,0|2,0,0]=4 576 B11R1.16 CCOC(=O)N1CCOCC1 Amb17797590 [1,0,0,1,0,0|2,0,0]=4 577 B11R1.16 CCOC(=O)N1CCSCC1 Amb24413201 [1,0,0,1,0,0|2,0,0]=4 578 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 Amb13886185 [1,0,0,1,0,0|1,0,1]=4 579 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 Amb19889884 [1,0,0,1,0,0|1,0,1]=4 580 B11R1.16 CCOC(=O)[C@@H]1CNCCC1 Amb22744886 [1,0,0,1,0,0|1,0,1]=4 581 B11R1.16 CCOC(=O)[C@H]1CCCCN1 Amb13886209 [1,0,0,1,0,0|1,0,1]=4 582 B11R1.16 CCOC(=O)[C@H]1CCCNC1 Amb13885352 [1,0,0,1,0,0|1,0,1]=4 583 B11R1.16 CNCC(=O)C=1CCCCC1 Amb24554962 [1,0,0,1,0,0|2,0,0]=4 584 B11R1.16 CONC(=O)C=1CCCCC1 Amb25058249 [1,0,0,1,0,0|2,0,0]=4 585 B11R1.16 CSCC(=O)C=1CCCCC1 Amb24687882 [1,0,0,1,0,0|2,0,0]=4 586 B11R1.16 C\C=C\C(=O)C1=CCCCC1 Amb17593736 [1,0,0,1,0,0|1,0,1]=4 587 B11R1.16 NCCC(=O)C=1CCCCC1 Amb24405447 [1,0,0,1,0,0|2,0,0]=4 588 B11R1.16 O=C(OCCl)N1CCCCC1 Amb25681730 [1,0,0,1,0,0|2,0,0]=4 589 B11R1.16 OCCC(=O)C=1CCCCC1 Amb25706865 [1,0,0,1,0,0|2,0,0]=4 590 B11R1.16 OCOC(=O)N1CCCCC1 Amb24412929 [1,0,0,1,0,0|2,0,0]=4 591 B11R1.24 CCCCC1=CC(=O)CCC1 Amb17593800 [1,0,0,1,0,0|1,0,0]=3 592 B11R1.24 CCCCC1CC(=O)CCC1 Amb24485994 [1,0,0,1,0,0|1,0,1]=4 593 B11R1.24 CCCCC1CCCC(=O)O1 Amb10807434 [1,0,0,1,0,0|2,0,0]=4 594 B11R1.24 CCCCC1CCNC(=O)N1 Amb24560997 [1,0,0,1,0,0|2,0,0]=4 595 B11R1.24 CCCC[C@H]1CC(=O)CCC1 Amb24722780 [1,0,0,1,0,0|1,0,1]=4 596 B11R1.24 CCCC[C@H]1CCCC(=O)N1 Amb24376413 [1,0,0,1,0,0|2,0,0]=4 597 B11R1.24 CCCC[C@H]1CCNC(=O)N1 Amb24470814 [1,0,0,1,0,0|2,0,0]=4 598 B11R1.24 CCCOC=1CCCC(=O)C1 Amb25263662 [1,0,0,1,0,0|2,0,0]=4 599 B11R1.24 CSCCC=1CCCC(=O)C1 Amb25128213 [1,0,0,1,0,0|2,0,0]=4 600 B11R1.24 O=C1CCCC(CCCCl)=C1 Amb24487855 [1,0,0,1,0,0|2,0,0]=4 601 B11R1.26 CCC1CCCCCNC1=O Amb24757672 [1,0,0,1,0,0|2,0,0]=4 602 B11R1.30 CCCC(=O)CC1CCCC1 Amb18796800 [1,0,0,1,0,0|1,0,1]=4 603 B11R1.30 CCCC(=O)\C=C/1\CCCN1 Amb24519315 [1,0,0,1,0,0|2,0,0]=4 604 B11R1.30 CCNC(=O)C=C1CCCC1 Amb25344411 [1,0,0,1,0,0|1,0,0]=3 605 B11R1.30 CCNC(=O)NC1CCCC1 Amb24468368 [1,0,0,1,0,0|2,0,0]=4 606 B11R1.30 CCNC(=O)OC1CCCC1 Amb25066572 [1,0,0,1,0,0|2,0,0]=4 607 B11R1.30 CCOC(=O)C=C1CCCC1 Amb21858427 [1,0,0,1,0,0|0,0,0]=2 608 B11R1.30 CCOC(=O)C=C1CCCN1 Amb24066417 [1,0,0,1,0,0|1,0,0]=3 609 B11R1.30 CCOC(=O)CC1CCCN1 Amb19015189 [1,0,0,1,0,0|1,0,1]=4 610 B11R1.30 CCOC(=O)CC1CCCN1 Amb19514733 [1,0,0,1,0,0|1,0,1]=4 611 B11R1.30 CCOC(=O)CC1CCCO1 Amb17939087 [1,0,0,1,0,0|1,0,1]=4 612 B11R1.30 CCOC(=O)CC1CNCC1 Amb22001550 [1,0,0,1,0,0|1,0,1]=4 613 B11R1.30 CCOC(=O)CC1COCC1 Amb23538521 [1,0,0,1,0,0|1,0,1]=4 614 B11R1.30 CCOC(=O)CC1CSCC1 Amb25383766 [1,0,0,1,0,0|1,0,1]=4 615 B11R1.30 CCOC(=O)C[C@@H]1CNCC1 Amb22273291 [1,0,0,1,0,0|1,0,1]=4 616 B11R1.30 CCOC(=O)C[C@@H]1CNCC1 Amb24766248 [1,0,0,1,0,0|1,0,1]=4 617 B11R1.30 CCOC(=O)C[C@H]1CNCC1 Amb22273263 [1,0,0,1,0,0|1,0,1]=4 618 B11R1.30 CCOC(=O)C[C@H]1CNCC1 Amb24766247 [1,0,0,1,0,0|1,0,1]=4 619 B11R1.30 CCOC(=O)C[S+]1CCCC1 Amb24063983 [1,0,0,1,0,0|1,0,1]=4 620 B11R1.30 CCOC(=O)NC1CCCC1 Amb17787413 [1,0,0,1,0,0|1,0,0]=3 621 B11R1.30 CCOC(=O)NC1CSCC1 Amb24509693 [1,0,0,1,0,0|2,0,0]=4 622 B11R1.30 CCOC(=O)N[C@@H]1CNCC1 Amb25323209 [1,0,0,1,0,0|2,0,0]=4 623 B11R1.30 CCOC(=O)\C=C/1\CCCN1 Amb18200450 [1,0,0,1,0,0|1,0,0]=3 624 B11R1.30 CCOC(=O)\C=C/1\CCCO1 Amb24087754 [1,0,0,1,0,0|1,0,0]=3 625 B11R1.30 CCOC(=O)\C=C/1\CCNC1 Amb21957342 [1,0,0,1,0,0|1,0,0]=3 626 B11R1.30 CCOC(=O)\C=C\1/CCCN1 Amb23570705 [1,0,0,1,0,0|1,0,0]=3 627 B11R1.30 CCOC(=O)\C=C\1/CCNC1 Amb22498696 [1,0,0,1,0,0|1,0,0]=3 628 B11R1.30 COCC(=O)C=C1CCCC1 Amb24528921 [1,0,0,1,0,0|2,0,0]=4 629 B11R1.30 CONC(=O)C=C1CCCC1 Amb25856232 [1,0,0,1,0,0|2,0,0]=4 630 B11R1.30 O=C(OCCl)OC1CCCC1 Amb25384849 [1,0,0,1,0,0|2,0,0]=4 631 B11R1.66 CC1CCCCC(=O)C1CC Amb25713013 [1,0,0,1,0,0|1,0,1]=4 632 B11R1.101 O=C1NCCCCCCCO1 Amb24443710 [1,0,0,1,0,0|1,0,0]=3 633 B11R1.107 C[C@H]1CC(=O)CCCCCC1 Amb25059721 [1,0,0,1,0,0|1,0,1]=4 634 B11R1.110 CCOC=1CCCCC(C)N1 Amb25332006 [1,0,0,1,0,0|1,0,1]=4 635 B11R1.123 CCC1C(CCC)CNC1=O Amb25788563 [1,0,0,1,0,0|2,0,0]=4 636 B11R1.123 CCCC1C=CC(=O)C1CO Amb24357230 [1,0,0,1,0,0|2,0,0]=4 637 B11R1.123 CCC[C@@H]1C=CC(=O)[C@H]1CO Amb24568008 [1,0,0,1,0,0|2,0,0]=4 638 B11R1.135 CCCC1CNC(=O)CCC1 Amb25227846 [1,0,0,1,0,0|2,0,0]=4 639 B11R1.180 CCCCCN1CCCC1=O Amb20621968 [1,0,0,1,0,0|2,0,0]=4 640 B11R1.180 CCCCC[C@@H]1CCCC1=O Amb24766745 [1,0,0,1,0,0|1,0,1]=4 641 B11R1.180 CCCCC[C@H]1CCCC1=O Amb24766930 [1,0,0,1,0,0|1,0,1]=4 642 B11R1.180 CCCCN[C@H]1CCOC1=O Amb24762672 [1,0,0,1,0,0|1,0,1]=4 643 B11R1.180 CCCCSC1CCOC1=O Amb24755871 [1,0,0,1,0,0|1,0,1]=4 644 B11R1.180 CCCC\C=C\1/CCCC1=O Amb22552972 [1,0,0,1,0,0|1,0,0]=3 645 B11R1.180 CCNCCN1CCOC1=O Amb19026699 [1,0,0,1,0,0|2,0,0]=4 646 B11R1.180 CNCCCN1CCOC1=O Amb18306585 [1,0,0,1,0,0|2,0,0]=4 647 B11R1.180 O=C1OCCN1CCCCCl Amb18804714 [1,0,0,1,0,0|2,0,0]=4 648 B11R1.180 OCCN\C=C\1/CCOC1=O Amb24589204 [1,0,0,1,0,0|2,0,0]=4 649 B11R1.199 CC1CCCC1C(=N)OCC Amb25263495 [1,0,0,1,0,0|1,0,1]=4 650 B11R1.199 CC1CCCC1C(=O)CCC Amb25729243 [1,0,0,1,0,0|1,0,1]=4 651 B11R1.199 CC1CCCC1C(=O)NCC Amb25044318 [1,0,0,1,0,0|1,0,1]=4 652 B11R1.199 CC1CCCC1C(=O)OCC Amb24390634 [1,0,0,1,0,0|0,0,1]=3 653 B11R1.199 CC1CCCN1C(=O)OCCl Amb25686278 [1,0,0,1,0,0|2,0,0]=4 654 B11R1.199 CC1CCOC1C(=O)OCC Amb25741592 [1,0,0,1,0,0|1,0,1]=4 655 B11R1.199 CC=1CCCC1C(=O)CCC Amb24662331 [1,0,0,1,0,0|1,0,1]=4 656 B11R1.199 CC=1CCCC1C(=O)OCC Amb25120486 [1,0,0,1,0,0|0,0,1]=3 657 B11R1.199 CC=1NCCC1C(=O)OCC Amb24366082 [1,0,0,1,0,0|1,0,1]=4 658 B11R1.199 CCOC(=O)C1=C(N)CCC1 Amb1993725 [1,0,0,1,0,0|1,0,1]=4 659 B11R1.199 CCOC(=O)C1=CCCC1C Amb25032561 [1,0,0,1,0,0|0,0,0]=2 660 B11R1.199 CCOC(=O)C1=CCCC1Cl Amb24487934 [1,0,0,1,0,0|1,0,0]=3 661 B11R1.199 CCOC(=O)C1=CCC[C@@H]1O Amb24425875 [1,0,0,1,0,0|1,0,0]=3 662 B11R1.199 CCOC(=O)C1=CCNC1C Amb24728192 [1,0,0,1,0,0|1,0,0]=3 663 B11R1.199 CCOC(=O)C1CCCC1N Amb18126058 [1,0,0,1,0,0|1,0,1]=4 664 B11R1.199 CCOC(=O)C1CCCC1O Amb21961794 [1,0,0,1,0,0|1,0,1]=4 665 B11R1.199 CCOC(=O)C1CCCN1C Amb18787687 [1,0,0,1,0,0|1,0,1]=4 666 B11R1.199 CCOC(=O)C=1CCCC1F Amb25837558 [1,0,0,1,0,0|1,0,1]=4 667 B11R1.199 CCOC(=O)N1CCCC1C Amb25823482 [1,0,0,1,0,0|1,0,0]=3 668 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N Amb1994024 [1,0,0,1,0,0|1,0,1]=4 669 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1N Amb22224844 [1,0,0,1,0,0|1,0,1]=4 670 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1N Amb22745813 [1,0,0,1,0,0|1,0,1]=4 671 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N Amb24715829 [1,0,0,1,0,0|1,0,1]=4 672 B11R1.199 C[C@@H]1CCN[C@@H]1C(=O)OCC Amb24117063 [1,0,0,1,0,0|1,0,1]=4 673 B11R1.199 C[C@@H]1CCO[C@@H]1C(=O)OCC Amb24516289 [1,0,0,1,0,0|1,0,1]=4 674 B11R1.199 C[C@@H]1CNC[C@H]1C(=O)OCC Amb22745241 [1,0,0,1,0,0|1,0,1]=4 675 B11R1.199 C[C@@H]1CNC[C@H]1C(=O)OCC Amb22747236 [1,0,0,1,0,0|1,0,1]=4 676 B11R1.199 C[C@H]1CCNC1C(=O)OCC Amb25376992 [1,0,0,1,0,0|1,0,1]=4 677 B11R1.199 C[C@H]1CCN[C@@H]1C(=O)OCC Amb24519305 [1,0,0,1,0,0|1,0,1]=4 678 B11R1.199 C[C@H]1CCN[C@H]1C(=O)OCC Amb24577467 [1,0,0,1,0,0|1,0,1]=4 679 B11R1.202 CCOC(=O)NC1CC1CO Amb25382531 [1,0,0,1,0,0|2,0,0]=4 680 B11R1.230 CC1CC(=O)CC1CCCC Amb24647794 [1,0,0,1,0,0|1,0,1]=4 681 B11R1.230 CC1CC(=O)NC1CCCC Amb24402959 [1,0,0,1,0,0|2,0,0]=4 682 B11R1.230 CC1CC(=O)OC1CCCC Amb15692528 [1,0,0,1,0,0|2,0,0]=4 683 B11R1.230 CC1NC(=O)NC1CCCC Amb24375453 [1,0,0,1,0,0|2,0,0]=4 684 B11R1.230 CCCCC1=CC(=O)OC1O Amb25356386 [1,0,0,1,0,0|1,0,0]=3 685 B11R1.230 CCCCC1CC(=O)OC1O Amb24748601 [1,0,0,1,0,0|1,0,1]=4 686 B11R1.230 CCCC[C@H]1CC(=O)OC1O Amb25051449 [1,0,0,1,0,0|1,0,1]=4 687 B11R1.230 CN1OC(=O)C=C1CCCN Amb24742245 [1,0,0,1,0,0|2,0,0]=4 688 B11R1.230 C[C@@H]1CC(=O)C[C@H]1CCCC Amb24512504 [1,0,0,1,0,0|1,0,1]=4 689 B11R1.230 C[C@@H]1CC(=O)O[C@H]1CCCC Amb24674272 [1,0,0,1,0,0|2,0,0]=4 690 B11R1.265 CCC1C(CCCC1=O)CC Amb24378401 [1,0,0,1,0,0|1,0,1]=4 691 B11R1.288 CC1OC1\C=C/C(=O)OCC Amb24763034 [1,0,0,1,0,0|1,0,0]=3 692 B11R1.288 CC1OC1\C=C\C(=O)NCC Amb25766536 [1,0,0,1,0,0|2,0,0]=4 693 B11R1.288 C[C@@H]1O[C@H]1\C=C\C(=O)CCC Amb24766809 [1,0,0,1,0,0|2,0,0]=4 694 B11R1.288 C[C@H]1O[C@H]1\C=C\C(=O)CCC Amb24766808 [1,0,0,1,0,0|2,0,0]=4 695 B11R1.289 CCCC(=O)NCC1CCC1 Amb25379483 [1,0,0,1,0,0|2,0,0]=4 696 B11R1.289 CCNC(=O)\C=C\C1CCC1 Amb25822074 [1,0,0,1,0,0|1,0,0]=3 697 B11R1.289 CCOC(=O)\C=C\C1CCC1 Amb22411520 [1,0,0,1,0,0|0,0,0]=2 698 B11R1.291 CC1CCC1NC(=O)CCC Amb24415816 [1,0,0,1,0,0|2,0,0]=4 699 B11R1.291 CC1CCC1NC(=O)OCC Amb24725805 [1,0,0,1,0,0|1,0,0]=3 700 B11R1.291 CCOC(=O)NC1CCC1N Amb25350230 [1,0,0,1,0,0|2,0,0]=4 701 B11R1.291 CCOC(=O)N[C@H]1CC[C@@H]1N Amb25360893 [1,0,0,1,0,0|2,0,0]=4 702 B11R1.291 CCOC(=O)\C=C/1\CCC1=O Amb24633301 [1,0,0,1,0,0|1,0,1]=4 703 B11R1.291 CCOC(=O)\C=C/1\CCC1O Amb25806669 [1,0,0,1,0,0|1,0,0]=3 704 B11R1.360 CC=1CC(=O)C1CCCCC Amb24764924 [1,0,0,1,0,0|1,0,1]=4 705 B11R1.17 CCC\C=C/1\CCCCC1C Amb24595530 [1,0,0,1,0,0|1,0,1]=4 706 B11R1.18 CCC1CCCC1=NOCC Amb25334430 [1,0,0,1,0,0|1,0,1]=4 707 B11R1.28 BrC\C=C\C=C1CCCCC1 Amb24700221 [1,0,0,1,0,0|2,0,0]=4 708 B11R1.28 CCCCC=C1CCCCC1 Amb24376103 [1,0,0,1,0,0|1,0,1]=4 709 B11R1.28 CCC\C=C\N1CCCCC1 Amb24741477 [1,0,0,1,0,0|2,0,0]=4 710 B11R1.28 CCNCC=C1CCCCC1 Amb25763641 [1,0,0,1,0,0|1,0,1]=4 711 B11R1.28 OCOCC=C1CCCCC1 Amb25077799 [1,0,0,1,0,0|1,0,1]=4 712 B11R1.41 CCOC1C=CCCC1CO Amb25333698 [1,0,0,1,0,0|1,0,1]=4 713 B11R1.203 CCNCC=1CCCCCC1 Amb24423009 [1,0,0,1,0,0|1,0,1]=4 714 B11R1.203 CCON=C1CCCCCC1 Amb24459008 [1,0,0,1,0,0|1,0,1]=4 715 B11R1.203 OCCCC1CCC=CC=C1 Amb25058570 [1,0,0,1,0,0|2,0,0]=4 716 B11R1.1 C=CCCC1CCC(=O)C=C1 Amb24486377 [1,0,0,1,0,0|0,0,2]=4 717 B11R1.1 CCC\C=C/1\CCC(=O)C=C1 Amb24633227 [1,0,0,1,0,0|0,0,2]=4 718 B11R1.1 CCC\C=C\1/CCC(=O)C=C1 Amb25792949 [1,0,0,1,0,0|0,0,2]=4 719 B11R1.1 COCOC1CCC(=O)C=C1 Amb25151564 [1,0,0,1,0,0|2,0,0]=4 720 B11R1.1 C\C=C\CC1CCC(=O)C=C1 Amb25143521 [1,0,0,1,0,0|0,0,2]=4 721 B11R1.1 O=C1CCC(CCCCl)C=C1 Amb25250570 [1,0,0,1,0,0|1,0,0]=3 722 B11R1.1 O=CCCC1CCC(=O)C=C1 Amb18125414 [1,0,0,1,0,0|1,0,1]=4 723 B11R1.13 CC1C(CCC)OC=CC1=O Amb25264017 [1,0,0,1,0,0|1,0,0]=3 724 B11R1.25 C#CC(=O)\C=C/C1CCCC1 Amb25718324 [1,0,0,1,0,0|0,0,2]=4 725 B11R1.25 CCC(=O)CCC1CCCC1 Amb18787531 [1,0,0,1,0,0|0,0,2]=4 726 B11R1.25 CCC(=O)COC1CCCC1 Amb18799693 [1,0,0,1,0,0|1,0,1]=4 727 B11R1.25 CCC(=O)CSC1CCCC1 Amb24750772 [1,0,0,1,0,0|1,0,1]=4 728 B11R1.25 CCC(=O)NCC1CCCC1 Amb25820886 [1,0,0,1,0,0|1,0,1]=4 729 B11R1.25 CCC(=O)NOC1CCCC1 Amb25151846 [1,0,0,1,0,0|2,0,0]=4 730 B11R1.25 CCC(=O)\C=C/N1CCCC1 Amb25347529 [1,0,0,1,0,0|1,0,0]=3 731 B11R1.25 COC(=O)C#CC1CCCC1 Amb25756477 [1,0,0,1,0,0|0,0,2]=4 732 B11R1.25 COC(=O)CNC1CCCC1 Amb19958344 [1,0,0,1,0,0|1,0,1]=4 733 B11R1.25 COC(=O)CSC1CCCC1 Amb24750765 [1,0,0,1,0,0|1,0,1]=4 734 B11R1.25 COC(=O)NCC1CCCC1 Amb25853291 [1,0,0,1,0,0|1,0,1]=4 735 B11R1.25 COC(=O)\C=C\C1CCCN1 Amb25137257 [1,0,0,1,0,0|1,0,0]=3 736 B11R1.25 COC(=O)\C=C\C1CCCO1 Amb10067185 [1,0,0,1,0,0|1,0,0]=3 737 B11R1.25 COC(=O)\C=C\C1CSCC1 Amb25150467 [1,0,0,1,0,0|1,0,0]=3 738 B11R1.25 COC(=O)\C=C\C1OCCO1 Amb25258482 [1,0,0,1,0,0|2,0,0]=4 739 B11R1.25 COC(=O)\C=C\C=1CCCC1 Amb24392864 [1,0,0,1,0,0|0,0,2]=4 740 B11R1.25 COC(=O)\C=C\N1CCCC1 Amb2384232 [1,0,0,1,0,0|1,0,0]=3 741 B11R1.25 O=C(CCl)\C=C\C1COCC1 Amb24373116 [1,0,0,1,0,0|2,0,0]=4 742 B11R1.27 CCCCCC1=CC(=O)CS1 Amb24765347 [1,0,0,1,0,0|1,0,0]=3 743 B11R1.27 CCCCCC1=CCC(=O)N1 Amb25384805 [1,0,0,1,0,0|1,0,1]=4 744 B11R1.27 CCCCCC1CC(=O)CC1 Amb24106993 [1,0,0,1,0,0|0,0,2]=4 745 B11R1.27 CCCCCC1CCC(=O)N1 Amb17940081 [1,0,0,1,0,0|1,0,1]=4 746 B11R1.27 CCCCCC=1CC(=O)CC1 Amb24765342 [1,0,0,1,0,0|0,0,2]=4 747 B11R1.27 CCCCC[C@@H]1CCC(=O)N1 Amb25385733 [1,0,0,1,0,0|1,0,1]=4 748 B11R1.27 CCCCC[C@@H]1COC(=O)N1 Amb24765069 [1,0,0,1,0,0|1,0,1]=4 749 B11R1.27 CCCCC[C@H]1CCC(=O)O1 Amb22348365 [1,0,0,1,0,0|1,0,1]=4 750 B11R1.27 CCCCCc1cc(Br)o[n]1 Amb22584327 [1,0,0,1,0,0|2,0,0]=4 751 B11R1.27 CCCCCc1cc(Cl)o[n]1 Amb25380021 [1,0,0,1,0,0|2,0,0]=4 752 B11R1.27 CCCCNC=1CCC(=O)C1 Amb24486855 [1,0,0,1,0,0|1,0,0]=3 753 B11R1.27 CCCCNC=1COC(=O)C1 Amb24488012 [1,0,0,1,0,0|1,0,0]=3 754 B11R1.27 CCCCOC=1CNC(=O)C1 Amb25384752 [1,0,0,1,0,0|2,0,0]=4 755 B11R1.27 CC\C=C/CC=1CCC(=O)C1 Amb24509416 [1,0,0,1,0,0|0,0,2]=4 756 B11R1.27 CC\C=C\CC=1CCC(=O)C1 Amb24380877 [1,0,0,1,0,0|0,0,2]=4 757 B11R1.27 COCCNC=1CCC(=O)C1 Amb24692487 [1,0,0,1,0,0|2,0,0]=4 758 B11R1.27 COCOCC=1CCC(=O)C1 Amb24764946 [1,0,0,1,0,0|2,0,0]=4 759 B11R1.27 CSCCNC=1CCC(=O)C1 Amb25358138 [1,0,0,1,0,0|2,0,0]=4 760 B11R1.27 O=C1CCC(CCCC=O)=C1 Amb18644515 [1,0,0,1,0,0|1,0,1]=4 761 B11R1.27 OCCCCC=1CCC(=O)C1 Amb24766942 [1,0,0,1,0,0|1,0,0]=3 762 B11R1.27 OCCCNC=1CCC(=O)C1 Amb24486877 [1,0,0,1,0,0|2,0,0]=4 763 B11R1.40 CCC(=O)CC1CCCCC1 Amb18796799 [1,0,0,1,0,0|0,0,2]=4 764 B11R1.40 CCC(=O)CC=1CCCCC1 Amb24486383 [1,0,0,1,0,0|0,0,2]=4 765 B11R1.40 CCC(=O)CN1CCCCC1 Amb18183018 [1,0,0,1,0,0|1,0,1]=4 766 B11R1.40 CCC(=O)NC=1CCCCC1 Amb25114039 [1,0,0,1,0,0|1,0,1]=4 767 B11R1.40 CCC(=O)NN1CCCCC1 Amb2125342 [1,0,0,1,0,0|2,0,0]=4 768 B11R1.40 CCC(=O)OC1CCCCC1 Amb20246948 [1,0,0,1,0,0|1,0,1]=4 769 B11R1.40 CCC(Br)=CC1CCCCC1 Amb25291004 [1,0,0,1,0,0|1,0,1]=4 770 B11R1.40 CCC(I)=CC1CCCCC1 Amb25274440 [1,0,0,1,0,0|1,0,1]=4 771 B11R1.40 CC\C(\Br)=C\C1CCCCC1 Amb24459832 [1,0,0,1,0,0|1,0,1]=4 772 B11R1.40 CNC(=O)C=C1CCCCC1 Amb25752019 [1,0,0,1,0,0|1,0,0]=3 773 B11R1.40 CNC(=O)C=C1CCOCC1 Amb24485258 [1,0,0,1,0,0|2,0,0]=4 774 B11R1.40 COC(=O)C=C1CCCCC1 Amb22365303 [1,0,0,1,0,0|0,0,0]=2 775 B11R1.40 COC(=O)C=C1CCOCC1 Amb19337770 [1,0,0,1,0,0|1,0,0]=3 776 B11R1.40 COC(=O)C=C1CCSCC1 Amb24727308 [1,0,0,1,0,0|1,0,0]=3 777 B11R1.40 COC(=O)CN1CCCCC1 Amb2583056 [1,0,0,1,0,0|1,0,1]=4 778 B11R1.40 COC(=O)NC=1CCCCC1 Amb24484970 [1,0,0,1,0,0|1,0,1]=4 779 B11R1.40 COC(=O)NN1CCCCC1 Amb2125354 [1,0,0,1,0,0|2,0,0]=4 780 B11R1.40 COC(=O)\C=C/1\CCCCN1 Amb23570717 [1,0,0,1,0,0|1,0,0]=3 781 B11R1.40 COC(=O)\C=C/1\CCCNC1 Amb24331938 [1,0,0,1,0,0|1,0,0]=3 782 B11R1.40 C\C(\C=C1CCCCC1)=C\C Amb24526880 [1,0,0,1,0,0|1,0,1]=4 783 B11R1.40 NNC(=O)C=C1CCCCC1 Amb25086285 [1,0,0,1,0,0|2,0,0]=4 784 B11R1.40 O=C(CBr)C=C1CCCCC1 Amb25823876 [1,0,0,1,0,0|1,0,0]=3 785 B11R1.59 CCC(=O)C=1CCCC1CC Amb25370607 [1,0,0,1,0,0|0,0,2]=4 786 B11R1.59 CCC(=O)[C@@H]1CCC[C@@H]1CC Amb25347486 [1,0,0,1,0,0|0,0,2]=4 787 B11R1.59 CCC1CCCN1C(=O)CC Amb16981679 [1,0,0,1,0,0|1,0,1]=4 788 B11R1.59 CCC1CCCN1C(=O)OC Amb16981720 [1,0,0,1,0,0|1,0,1]=4 789 B11R1.59 CCC1CCNC1C(=O)OC Amb18126064 [1,0,0,1,0,0|1,0,1]=4 790 B11R1.59 CC[C@@H]1CCN[C@H]1C(=O)OC Amb24554485 [1,0,0,1,0,0|1,0,1]=4 791 B11R1.59 CC[C@H]1CCN[C@@H]1C(=O)OC Amb24562884 [1,0,0,1,0,0|1,0,1]=4 792 B11R1.59 COC(=O)C1=CCCC1C#N Amb25172764 [1,0,0,1,0,0|1,0,1]=4 793 B11R1.212 CN1C(CCCO)C=CC1=O Amb25043800 [1,0,0,1,0,0|2,0,0]=4 794 B11R1.212 CN1[C@@H](CCCO)C=CC1=O Amb24613518 [1,0,0,1,0,0|2,0,0]=4 795 B11R1.214 CCc1ccc(CCCC)[nH]1 Amb25385903 [1,0,0,1,0,0|1,0,1]=4 796 B11R1.218 CCCCC1CC1C(=O)OC Amb24061167 [1,0,0,1,0,0|0,0,2]=4 797 B11R1.222 CC1CCCCC1C(=O)CC Amb25756860 [1,0,0,1,0,0|0,0,2]=4 798 B11R1.222 CC1CCCNC1C(=O)OC Amb23590118 [1,0,0,1,0,0|1,0,1]=4 799 B11R1.222 CC=1CCCCC1C(=O)CC Amb25713628 [1,0,0,1,0,0|0,0,2]=4 800 B11R1.222 CC=1CCCCC1C(=O)OC Amb24593167 [1,0,0,1,0,0|0,0,2]=4 801 B11R1.222 CCC(=O)N1CCCCC1C Amb17775262 [1,0,0,1,0,0|1,0,1]=4 802 B11R1.222 CN1CCCC=C1C(=O)OC Amb23585371 [1,0,0,1,0,0|1,0,0]=3 803 B11R1.222 COC(=O)N1C=CCC[C@@H]1C Amb24060023 [1,0,0,1,0,0|1,0,1]=4 804 B11R1.222 C[C@H]1CCCN[C@H]1C(=O)OC Amb24716098 [1,0,0,1,0,0|1,0,1]=4 805 B11R1.228 CC1CCCC1NC(=O)OC Amb25306459 [1,0,0,1,0,0|1,0,1]=4 806 B11R1.228 CCC(=O)CN1CCCC1C Amb18183020 [1,0,0,1,0,0|1,0,1]=4 807 B11R1.228 CCC(=O)\C=C/1\CCCN1C Amb24646542 [1,0,0,1,0,0|1,0,0]=3 808 B11R1.228 CN/1CCC\C1=C\C(=O)OC Amb25310230 [1,0,0,1,0,0|1,0,0]=3 809 B11R1.228 CNC(=O)\C=C/1\CCOC1C Amb24577604 [1,0,0,1,0,0|2,0,0]=4 810 B11R1.228 COC(=O)CN1CCCC1C Amb18179726 [1,0,0,1,0,0|1,0,1]=4 811 B11R1.228 COC(=O)\C=C/1\CCCC1C Amb24712218 [1,0,0,1,0,0|0,0,0]=2 812 B11R1.228 COC(=O)\C=C/1\CCOC1C Amb25748969 [1,0,0,1,0,0|1,0,0]=3 813 B11R1.228 COC(=O)\C=C/1\NCCC1C Amb24711643 [1,0,0,1,0,0|1,0,0]=3 814 B11R1.228 COC(=O)\C=C/1\NCCC1O Amb24580471 [1,0,0,1,0,0|2,0,0]=4 815 B11R1.228 COC(=O)\C=C/1\OCCC1C Amb24437401 [1,0,0,1,0,0|1,0,0]=3 816 B11R1.228 COC(=O)\C=C\1/NCC[C@@H]1O Amb25097205 [1,0,0,1,0,0|2,0,0]=4 817 B11R1.235 CC1CC1N\C=C\C(=O)OC Amb24471765 [1,0,0,1,0,0|1,0,0]=3 818 B11R1.236 CCC(=O)NCCC1CCC1 Amb24755364 [1,0,0,1,0,0|1,0,1]=4 819 B11R1.236 COC(=O)C#CCC1CCC1 Amb24610465 [1,0,0,1,0,0|0,0,2]=4 820 B11R1.236 COC(=O)\C=C\NC1CCC1 Amb24410479 [1,0,0,1,0,0|1,0,0]=3 821 B11R1.236 COC(=O)\C=C\NC1COC1 Amb25340594 [1,0,0,1,0,0|2,0,0]=4 822 B11R1.237 COC(=O)C#CCCC1CC1 Amb25291613 [1,0,0,1,0,0|0,0,2]=4 823 B11R1.237 COC(=O)\C=C\NCC1CC1 Amb25381548 [1,0,0,1,0,0|1,0,0]=3 824 B11R1.255 CCC1CC1CNC(=O)CC Amb24767315 [1,0,0,1,0,0|1,0,1]=4 825 B11R1.255 CC[C@@H]1C[C@H]1CNC(=O)CC Amb24767316 [1,0,0,1,0,0|1,0,1]=4 826 B11R1.255 COC(=O)\C=C/C1CC1C=O Amb24762932 [1,0,0,1,0,0|1,0,1]=4 827 B11R1.255 COC(=O)\C=C\C1CC1C=O Amb25384113 [1,0,0,1,0,0|1,0,1]=4 828 B11R1.276 CCC1CCCNC(=O)CC1 Amb25306110 [1,0,0,1,0,0|1,0,1]=4 829 B11R1.558 CC1CCCCCC(=O)C1C Amb25793014 [1,0,0,1,0,0|0,0,2]=4 830 B11R1.852 C#CC(=O)C=1CCCCCC1 Amb25149436 [1,0,0,1,0,0|0,0,2]=4 831 B11R1.852 C=CC(=O)C=1CCCCCC1 Amb25142707 [1,0,0,1,0,0|0,0,2]=4 832 B11R1.852 CCC(=O)C=1CCCCCC1 Amb18182813 [1,0,0,1,0,0|0,0,0]=2 833 B11R1.852 CCC(N)C=1CCCCCC1 Amb18288248 [1,0,0,1,0,0|1,0,1]=4 834 B11R1.852 CCC(O)C=1CCCCCC1 Amb18182952 [1,0,0,1,0,0|0,0,2]=4 835 B11R1.852 CC[C@H](N)C=1CCCCCC1 Amb24378598 [1,0,0,1,0,0|1,0,1]=4 836 B11R1.852 COC(=O)C1CCCCCC1 Amb18182101 [1,0,0,1,0,0|0,0,2]=4 837 B11R1.852 COC(=O)C1CCCCCN1 Amb21963566 [1,0,0,1,0,0|1,0,1]=4 838 B11R1.852 COC(=O)C1CCCCCN1 Amb21964454 [1,0,0,1,0,0|1,0,1]=4 839 B11R1.852 COC(=O)N1CCCCCC1 Amb17789384 [1,0,0,1,0,0|1,0,1]=4 840 B11R1.852 ONC(=O)C=1CCCCCC1 Amb25355359 [1,0,0,1,0,0|2,0,0]=4 841 B13R1.6 CC#CCCCC=1CCCC(=O)C1 Amb24492793 [0,1,0,1,0,0|1,0,1]=4 842 B13R1.6 CCCCC#CC=1CCCC(=O)C1 Amb24686447 [0,1,0,1,0,0|1,0,1]=4 843 B13R1.42 CC#CC(=O)\C=C/C1CCCCC1 Amb25192571 [0,1,0,1,0,0|1,0,1]=4 844 B13R1.42 CC#CC(=O)\C=C\C1CCCCC1 Amb24588907 [0,1,0,1,0,0|1,0,1]=4 845 B13R1.42 CCNC(=O)NN=C1CCCCC1 Amb24453350 [0,1,0,1,0,0|2,0,0]=4 846 B13R1.42 CCOC(=O)CCC1CCCCN1 Amb18328931 [0,1,0,1,0,0|0,0,2]=4 847 B13R1.42 CCOC(=O)CCC1CCNCC1 Amb22230647 [0,1,0,1,0,0|0,0,2]=4 848 B13R1.42 CCOC(=O)CCC1CNCCC1 Amb22482039 [0,1,0,1,0,0|0,0,2]=4 849 B13R1.42 CCOC(=O)CCN1CCCCC1 Amb1981444 [0,1,0,1,0,0|0,0,2]=4 850 B13R1.42 CCOC(=O)CNC1CCCCC1 Amb19374505 [0,1,0,1,0,0|0,0,2]=4 851 B13R1.42 CCOC(=O)COC1CCCNC1 Amb23586041 [0,1,0,1,0,0|1,0,1]=4 852 B13R1.42 CCOC(=O)CSC1CCNCC1 Amb22395537 [0,1,0,1,0,0|1,0,1]=4 853 B13R1.42 CCOC(=O)NN=C1CCCCC1 Amb17919209 [0,1,0,1,0,0|1,0,0]=3 854 B13R1.42 CCOC(=O)NN=C1CCOCC1 Amb25129496 [0,1,0,1,0,0|2,0,0]=4 855 B13R1.42 CCOC(=O)NNC1=NCCCC1 Amb10976586 [0,1,0,1,0,0|2,0,0]=4 856 B13R1.42 CCOC(=O)\C=C\C1CCCCC1 Amb10067015 [0,1,0,1,0,0|0,0,0]=2 857 B13R1.42 CCOC(=O)\C=C\N1CCCCC1 Amb15691754 [0,1,0,1,0,0|0,0,0]=2 858 B13R1.42 C\C=C\C(=O)\C=C\N1CCCCC1 Amb25034470 [0,1,0,1,0,0|1,0,1]=4 859 B13R1.119 CCCCCC\C=C\C1OCCO1 Amb25703092 [0,1,0,1,0,0|0,0,2]=4 860 B13R1.208 CCC[n]1cc[n]c1C(=O)OCC Amb24269081 [0,1,0,1,0,0|1,0,1]=4 861 B13R1.404 CCNC(=O)NN=CC1CCCC1 Amb24732872 [0,1,0,1,0,0|2,0,0]=4 862 B13R1.404 CCOC(=O)CCNC1CCCC1 Amb19887560 [0,1,0,1,0,0|0,0,2]=4 863 B13R1.404 CCOC(=O)CSCC1CCCN1 Amb22395575 [0,1,0,1,0,0|1,0,1]=4 864 B13R1.404 CCOC(=O)\C=N/OC1CCCC1 Amb24103474 [0,1,0,1,0,0|1,0,0]=3 865 B13R1.443 CCOC(=O)NN1CCCC1CO Amb24103514 [0,1,0,1,0,0|2,0,0]=4 866 B13R1.444 CCNC(=O)NN=C1CCCC1C Amb24403617 [0,1,0,1,0,0|2,0,0]=4 867 B13R1.444 CCOC(=O)C#C[C@H]1CCC[C@@H]1O Amb24719652 [0,1,0,1,0,0|0,0,2]=4 868 B13R1.444 CCOC(=O)NN=C1CCOC1C Amb25078978 [0,1,0,1,0,0|2,0,0]=4 869 B13R1.444 CCOC(=O)NN=C1CSCC1C Amb25822104 [0,1,0,1,0,0|2,0,0]=4 870 B13R1.463 CC=1NCCN=CC1C(=O)OCC Amb22522068 [0,1,0,1,0,0|1,0,1]=4 871 B13R1.463 CCOC(=O)C1=CCCCCC1=O Amb17594687 [0,1,0,1,0,0|0,0,1]=3 872 B13R1.463 CCOC(=O)C1CCCCCC1O Amb24391606 [0,1,0,1,0,0|0,0,2]=4 873 B13R1.463 CCOC(=O)C1CCCCNC1=O Amb25103336 [0,1,0,1,0,0|1,0,1]=4 874 B13R1.463 CCOC(=O)C1CCNCCC1=O Amb22757099 [0,1,0,1,0,0|1,0,1]=4 875 B13R1.463 CCOC(=O)C1CCNCCC1=O Amb25827042 [0,1,0,1,0,0|1,0,1]=4 876 B13R1.463 CCOC(=O)C1CNCCCC1=O Amb25300154 [0,1,0,1,0,0|1,0,1]=4 877 B13R1.463 CCOC(=O)N1CCCNCC1C Amb17578442 [0,1,0,1,0,0|1,0,1]=4 878 B13R1.463 CCOC(=O)N1CCNCCC1C Amb17578444 [0,1,0,1,0,0|1,0,1]=4 879 B13R1.463 CCOC(=O)N1CCSCCC1C Amb24732657 [0,1,0,1,0,0|1,0,1]=4 880 B13R1.463 CCOC(=O)[C@@H]1CCCCC[C@H]1O Amb24593894 [0,1,0,1,0,0|0,0,2]=4 881 B13R1.463 CCOC(=O)[C@H]1CCCCC[C@@H]1O Amb24556803 [0,1,0,1,0,0|0,0,2]=4 882 B13R1.463 CCOC(=O)[C@H]1CCCCC[C@H]1O Amb10601393 [0,1,0,1,0,0|0,0,2]=4 883 B13R1.464 CCOC(=O)C=1CCCCC1NC Amb25732003 [0,1,0,1,0,0|0,0,2]=4 884 B13R1.470 CC1CCNCC1NC(=O)OCC Amb25281401 [0,1,0,1,0,0|1,0,1]=4 885 B13R1.470 CC1CNCCC1CC(=O)OCC Amb23439503 [0,1,0,1,0,0|0,0,2]=4 886 B13R1.470 CCOC(=O)NC1CCCCC1Cl Amb25290230 [0,1,0,1,0,0|1,0,1]=4 887 B13R1.470 CCOC(=O)NC1CCCCC1N Amb18971455 [0,1,0,1,0,0|1,0,1]=4 888 B13R1.470 CCOC(=O)NC1CCCCC1O Amb18327402 [0,1,0,1,0,0|1,0,1]=4 889 B13R1.470 CCOC(=O)N[C@@H]1CCCC[C@H]1F Amb24430699 [0,1,0,1,0,0|1,0,1]=4 890 B13R1.470 CCOC(=O)N[C@H]1CCCC[C@@H]1Cl Amb24539929 [0,1,0,1,0,0|1,0,1]=4 891 B13R1.470 CCOC(=O)N[C@H]1CCCC[C@@H]1O Amb24406162 [0,1,0,1,0,0|1,0,1]=4 892 B13R1.470 CCOC(=O)N[C@H]1CCCC[C@H]1Cl Amb24760178 [0,1,0,1,0,0|1,0,1]=4 893 B13R1.470 CCOC(=O)\C=C/1\CCCCC1Cl Amb25785178 [0,1,0,1,0,0|0,0,0]=2 894 B13R1.470 CCOC(=O)\C=C\1/CCNCC1C Amb25082894 [0,1,0,1,0,0|0,0,0]=2 895 B13R1.654 CC#CCCC\C=C/1\CCCC1=O Amb24620080 [0,1,0,1,0,0|1,0,1]=4 896 B13R1.654 CCCCC#C\C=C/1\CCCC1=O Amb25190530 [0,1,0,1,0,0|1,0,1]=4 897 B13R1.654 CCCCCCCC1CCOC1=O Amb22230225 [0,1,0,1,0,0|0,0,2]=4 898 B13R1.1464 CCCC(=O)C=1CCCCCCC1 Amb24496639 [0,1,0,1,0,0|1,0,0]=3 899 B13R1.1464 CCOC(=O)C1CCCCCCC1 Amb25063758 [0,1,0,1,0,0|0,0,2]=4 900 B13R1.1464 CCOC(=O)C1CCCCCCN1 Amb25104056 [0,1,0,1,0,0|0,0,2]=4 901 B13R1.1464 CCOC(=O)N1CCCCCCC1 Amb2125369 [0,1,0,1,0,0|0,0,2]=4 902 B13R1.1464 C\C=C\C(=O)C1CCCCCC=C1 Amb25347525 [0,1,0,1,0,0|1,0,1]=4 903 B13R1.1575 CCOC(=O)CC1CCCCCC1 Amb10807917 [0,1,0,1,0,0|0,0,2]=4 904 B13R1.1575 CCOC(=O)CC1CCCCCN1 Amb22498856 [0,1,0,1,0,0|0,0,2]=4 905 B13R1.1575 CCOC(=O)CN1CCNCCC1 Amb1121184 [0,1,0,1,0,0|1,0,1]=4 906 B13R1.1575 CCOC(=O)NC1CCCOCC1 Amb24732658 [0,1,0,1,0,0|1,0,1]=4 907 B13R1.1575 CCOC(=O)NC1CNCCCC1 Amb25047115 [0,1,0,1,0,0|1,0,1]=4 908 B13R1.1575 CCOC(=O)NN1CCCCCC1 Amb25668045 [0,1,0,1,0,0|1,0,1]=4 909 B13R1.1575 CCOC(=O)\C=C/1\CCCCCN1 Amb18823238 [0,1,0,1,0,0|0,0,0]=2 910 B13R1.1575 CCOC(=O)\C=C\1/CCCCCN1 Amb22725441 [0,1,0,1,0,0|0,0,0]=2 911 B13R1.1650 CCCCC1CC=CC(=O)CC1Cl Amb24490474 [0,1,0,1,0,0|2,0,0]=4 912 B13R1.1650 CCCC[C@@H]1C=CCC(=O)C[C@H]1O Amb24588262 [0,1,0,1,0,0|2,0,0]=4 913 B13R1.2792 CN1CCCCC=CC(=O)NCC1 Amb25041151 [0,1,0,1,0,0|1,0,0]=3 914 B13R1.2792 OC1CCOC(=O)CCCCCC1 Amb24462040 [0,1,0,1,0,0|0,0,2]=4 915 B13R1.201 CC(C)OC(=O)C1NCCCC1C Amb25085849 [0,1,0,1,0,0|1,0,1]=4 916 B13R1.201 CC(C)OC(=O)N1CCCCC1C Amb25796978 [0,1,0,1,0,0|1,0,1]=4 917 B13R1.282 CC(C)NC(=O)\C=C/1\CCOC1C Amb24529896 [0,1,0,1,0,0|2,0,0]=4 918 B13R1.282 CC(C)OC(=O)NC1CCCC1C Amb25370237 [0,1,0,1,0,0|1,0,1]=4 919 B13R1.282 CC(C)OC(=O)\C=C/1\CCOC1C Amb25136788 [0,1,0,1,0,0|1,0,0]=3 920 B13R1.348 CC(C)CC(=O)C=C1CCCCC1 Amb24430149 [0,1,0,1,0,0|1,0,0]=3 921 B13R1.348 CC(C)NC(=O)C=C1CCOCC1 Amb24371835 [0,1,0,1,0,0|2,0,0]=4 922 B13R1.348 CC(C)NC(=O)\C=C/1\CCCCN1 Amb25208928 [0,1,0,1,0,0|2,0,0]=4 923 B13R1.348 CC(C)OC(=O)C=C1CCSCC1 Amb25115552 [0,1,0,1,0,0|1,0,0]=3 924 B13R1.348 CC(C)OC(=O)NC=1CCCCC1 Amb24341432 [0,1,0,1,0,0|1,0,1]=4 925 B13R1.348 CC(C)OC(=O)NN1CCCCC1 Amb25347149 [0,1,0,1,0,0|2,0,0]=4 926 B13R1.348 CC(C)OC(=O)\C=C/1\CCCCN1 Amb24444282 [0,1,0,1,0,0|1,0,0]=3 927 B13R1.775 CC1CCCCCC(O)CC(=O)O1 Amb24672622 [0,1,0,1,0,0|0,0,2]=4 928 B13R1.775 C[C@@H]1CCCCCC(O)CC(=O)O1 Amb24618805 [0,1,0,1,0,0|0,0,2]=4 929 B13R1.775 C[C@@H]1CCCCC[C@@H](O)CC(=O)O1 Amb25302252 [0,1,0,1,0,0|0,0,2]=4 930 B13R1.775 C[C@@H]1CCCCC[C@H](O)CC(=O)O1 Amb24617262 [0,1,0,1,0,0|0,0,2]=4 931 B13R1.775 C[C@H]1CCCCCC(O)CC(=O)O1 Amb25306486 [0,1,0,1,0,0|0,0,2]=4 932 B13R1.3574 CCCCC\C=C\C(=O)NC1CC1 Amb1026031 [0,1,0,1,0,0|1,0,0]=3 933 B13R1.7456 CC(=C)CC(=O)C=1CCCCCC1 Amb24496204 [0,1,0,1,0,0|1,0,1]=4 934 B13R1.7456 CC(C)=CC(=O)C=1CCCCCC1 Amb24722919 [0,1,0,1,0,0|1,0,1]=4 935 B13R1.7456 CC(C)CC(=O)C=1CCCCCC1 Amb18809438 [0,1,0,1,0,0|1,0,0]=3 936 B13R1.7456 CC(C)OC(=O)C1CCCCCN1 Amb25856675 [0,1,0,1,0,0|1,0,1]=4 937 B13R1.7456 CC(C)OC(=O)C=1CCCCCC1 Amb24421362 [0,1,0,1,0,0|0,0,0]=2 938 B13R1.7456 CC(C)OC(=O)N1CCCCCC1 Amb25153722 [0,1,0,1,0,0|1,0,1]=4 939 B13R1.135 CCC(C)C(=O)C=C1CCCCC1 Amb24496369 [0,1,0,1,0,0|1,0,0]=3 940 B13R1.135 CCN(C)C(=O)C=C1CCOCC1 Amb24393607 [0,1,0,1,0,0|2,0,0]=4 941 B13R1.135 CCN(C)C(=O)C=C1CCSCC1 Amb24732901 [0,1,0,1,0,0|2,0,0]=4 942 B13R1.135 CN(OC)C(=O)C=C1CCCCC1 Amb25802620 [0,1,0,1,0,0|2,0,0]=4 943 B13R1.704 CCN(C)C(=O)\C=C/1\CCOC1C Amb25226222 [0,1,0,1,0,0|2,0,0]=4 944 B13R1.2620 CC(CN)C(=O)C=1CCCCCC1 Amb25795619 [0,1,0,1,0,0|2,0,0]=4 945 B13R1.2620 CCC(C)C(=O)C=1CCCCCC1 Amb18186717 [0,1,0,1,0,0|1,0,0]=3 946 B13R1.2620 CCC(N)C(=O)C=1CCCCCC1 Amb25731395 [0,1,0,1,0,0|1,0,0]=3 947 B13R1.446 CCOC(=O)N1CC(C)CCC1C Amb25155004 [0,1,0,1,0,0|1,0,1]=4 948 B13R1.446 C[C@@H]1CC[C@@H](O)C[C@H]1C(=O)OCC Amb25261812 [0,1,0,1,0,0|0,0,2]=4 949 B13R1.487 CCCCC1CC=CCC(=O)C=C1 Amb24408470 [0,1,0,1,0,0|1,0,1]=4 950 B13R1.686 CC1OCCC1=CC(=O)NCCO Amb25037414 [0,1,0,1,0,0|2,0,0]=4 951 B13R1.686 CC1OCCC1=CC(=O)OCC#N Amb24414614 [0,1,0,1,0,0|1,0,1]=4 952 B13R1.686 CCCNC(=O)\C=C/1\CCOC1C Amb24404472 [0,1,0,1,0,0|2,0,0]=4 953 B13R1.1462 CCOC(=O)N1CC(C)CCCC1 Amb25285148 [0,1,0,1,0,0|1,0,1]=4 954 B13R1.1483 CCOC(=O)NCC1(O)CCCC1 Amb13879409 [0,1,0,1,0,0|1,0,1]=4 955 B13R1.8394 C[C@@H]1CC[C@@H](O)C=CC=CC(=O)O1 Amb24735169 [0,1,0,1,0,0|0,0,2]=4 956 B13R1.47 CC(C(=O)OCC)=C1CCOCC1 Amb25313284 [0,1,0,1,0,0|1,0,0]=3 957 B13R1.47 CCOC(=O)C(=O)C1CCCCN1 Amb22741290 [0,1,0,1,0,0|1,0,1]=4 958 B13R1.47 CCOC(=O)C(=O)C1CCNCC1 Amb18561863 [0,1,0,1,0,0|1,0,1]=4 959 B13R1.47 CCOC(=O)C(=O)N1CCNCC1 Amb18977778 [0,1,0,1,0,0|2,0,0]=4 960 B13R1.47 CCOC(=O)C(=O)N1CCNCC1 Amb19414871 [0,1,0,1,0,0|2,0,0]=4 961 B13R1.47 CCOC(=O)C(F)=C1CCCCC1 Amb24555081 [0,1,0,1,0,0|0,0,0]=2 962 B13R1.47 CCOC(=O)N(C)C1CCCCC1 Amb22035369 [0,1,0,1,0,0|1,0,1]=4 963 B13R1.47 C\C(\C(=O)OCC)=C\1/CCCCN1 Amb25738477 [0,1,0,1,0,0|1,0,0]=3 964 B13R1.66 CCOC(=O)C(=C)CN1CCCC1 Amb10575379 [0,1,0,1,0,0|1,0,1]=4 965 B13R1.555 CCCCN\C=C/1\CCCCC1=O Amb24627154 [0,1,0,1,0,0|2,0,0]=4 966 B13R1.1546 CCOC(=O)C1(N)CCCCC1C Amb18972530 [0,1,0,1,0,0|0,0,2]=4 967 B13R1.1546 CCOC(=O)C1(O)CCCCC1C Amb18329206 [0,1,0,1,0,0|0,0,2]=4 968 B13R1.1552 CCOC(=O)C1(C)CCCCCC1 Amb25344572 [0,1,0,1,0,0|0,0,2]=4 969 B13R1.1552 CCOC(=O)C1(N)CCCCCC1 Amb17755252 [0,1,0,1,0,0|0,0,2]=4 970 B13R1.1552 CCOC(=O)C1(O)CCCCCC1 Amb19075774 [0,1,0,1,0,0|0,0,2]=4 971 B13R1.2909 CC(C(=O)OCC)=C1CCOC1C Amb25090656 [0,1,0,1,0,0|1,0,0]=3 972 B13R1.623 O=CC1CCCCCCCCC=C1 Amb24706997 [0,1,0,1,0,0|1,0,1]=4 973 B13R1.1914 CC[n]1c(C=O)ccc1CCCC Amb23154018 [0,1,0,1,0,0|1,0,1]=4 974 B13R1.1915 CCCCC1CC=C(C1=O)OCC Amb10563221 [0,1,0,1,0,0|0,0,1]=3 975 B13R1.44 C#CCCC(=O)C=C1CCCCC1 Amb24533396 [0,1,0,1,0,0|1,0,1]=4 976 B13R1.44 C#CCNC(=O)C=C1CCCCC1 Amb25051108 [0,1,0,1,0,0|1,0,1]=4 977 B13R1.44 CCCNC(=O)C=C1CCSCC1 Amb25686852 [0,1,0,1,0,0|2,0,0]=4 978 B13R1.44 CCONC(=O)C=C1CCSCC1 Amb24372579 [0,1,0,1,0,0|1,0,0]=3 979 B13R1.44 N#CCNC(=O)C=C1CCCCC1 Amb25763545 [0,1,0,1,0,0|1,0,1]=4 980 B13R1.44 N#CCOC(=O)C=C1CCCCC1 Amb24543962 [0,1,0,1,0,0|0,0,1]=3 981 B13R1.44 N#CCOC(=O)C=C1CCOCC1 Amb25795218 [0,1,0,1,0,0|1,0,1]=4 982 B13R1.44 N#CCOC(=O)C=C1CCSCC1 Amb25163801 [0,1,0,1,0,0|1,0,1]=4 983 B13R1.44 NCCNC(=O)C=C1CCCCC1 Amb24348762 [0,1,0,1,0,0|1,0,0]=3 984 B13R1.44 O=C(C=C1CCOCC1)NCCF Amb25071383 [0,1,0,1,0,0|2,0,0]=4 985 B13R1.44 O=C(C=C1CCSCC1)NCCF Amb25380999 [0,1,0,1,0,0|2,0,0]=4 986 B13R1.44 O=C(NC1CCCCC1)OCCCl Amb22346380 [0,1,0,1,0,0|1,0,1]=4 987 B13R1.44 OCCNC(=O)C=C1CCCCC1 Amb25801740 [0,1,0,1,0,0|1,0,0]=3 988 B13R1.44 OCCNC(=O)C=C1CCSCC1 Amb24717880 [0,1,0,1,0,0|2,0,0]=4 989 B13R1.500 CCCC[n]1ccc(COCC)[n]1 Amb24269377 [0,1,0,1,0,0|2,0,0]=4 990 B13R1.674 CCONC(=O)N1CCCCC1C Amb25672182 [0,1,0,1,0,0|1,0,1]=4 991 B13R1.1133 CC=1CCC(=O)C1OCCCCC Amb22728238 [0,1,0,1,0,0|2,0,0]=4 992 B13R1.2488 CC(=CCCCl)C=1CCCCCC1 Amb25313941 [0,1,0,1,0,0|2,0,0]=4 993 B13R1.2488 CCONC(=O)C1CCCCCC1 Amb25662610 [0,1,0,1,0,0|0,0,2]=4 994 B13R1.2488 CCONC(=O)C1CCCCCN1 Amb24465428 [0,1,0,1,0,0|1,0,1]=4 995 B13R1.2488 CCONC(=O)C=1CCCCCC1 Amb25066213 [0,1,0,1,0,0|0,0,0]=2 996 B13R1.2488 O=C(NCCF)C=1CCCCCC1 Amb25084062 [0,1,0,1,0,0|1,0,0]=3 997 B13R1.2488 OCCNC(=O)C=1CCCCCC1 Amb25706579 [0,1,0,1,0,0|1,0,0]=3 998 B13R1.20 CC1CCCC(C1)NC(=O)OCC Amb24720171 [0,1,0,1,0,0|1,0,1]=4 999 B13R1.20 CCOC(=O)CN1CC(O)CCC1 Amb19076447 [0,1,0,1,0,0|1,0,1]=4 1000 B13R1.20 CCOC(=O)NC1CCCC(N)C1 Amb25374374 [0,1,0,1,0,0|1,0,1]=4 1001 B13R1.20 CCOC(=O)\C=C/1\CCCC(=O)N1 Amb24490152 [0,1,0,1,0,0|1,0,1]=4 1002 B13R1.20 CCOC(=O)\C=C/1\CN(C)CCN1 Amb18191611 [0,1,0,1,0,0|2,0,0]=4 1003 B13R1.20 CCOC(=O)\C=C/1\CNCC(C)C1 Amb24331914 [0,1,0,1,0,0|1,0,0]=3 1004 B13R1.20 CCOC(=O)\C=C\1/CN(C)CCC1 Amb23453408 [0,1,0,1,0,0|1,0,0]=3 1005 B13R1.33 CCOC(=O)NC(=O)C1CCCC1 Amb24490196 [0,1,0,1,0,0|1,0,0]=3 1006 B13R1.33 CCOC(=O)\C=C(/N1CCCC1)\C Amb2407298 [0,1,0,1,0,0|1,0,0]=3 1007 B13R1.2570 CCOC(=O)CC1(N)CCCCC1 Amb13949091 [0,1,0,1,0,0|0,0,2]=4 1008 B13R1.2570 CCOC(=O)NC1(C)CCCCC1 Amb25203981 [0,1,0,1,0,0|1,0,1]=4 1009 B13R1.2846 CCOC(=O)CC(=O)CC1CCC1 Amb22002384 [0,1,0,1,0,0|0,0,1]=3 1010 B13R1.4453 CC1=CCCC(C)C1C(=O)OCC Amb25764194 [0,1,0,1,0,0|0,0,2]=4 1011 B13R1.4453 CC1CCCC(=O)C1C(=O)OCC Amb25675667 [0,1,0,1,0,0|0,0,1]=3 1012 B13R1.4453 CC1CCCC(O)C1C(=O)OCC Amb24675607 [0,1,0,1,0,0|0,0,2]=4 1013 B13R1.4453 CC1CCNC(=O)C1C(=O)OCC Amb23451802 [0,1,0,1,0,0|1,0,1]=4 1014 B13R1.4453 CC=1NCCC(=O)C1C(=O)OCC Amb22728425 [0,1,0,1,0,0|1,0,1]=4 1015 B13R1.4453 CC=1OCCC(O)C1C(=O)OCC Amb25333691 [0,1,0,1,0,0|2,0,0]=4 1016 B13R1.4453 CCOC(=O)C1C(Br)CCCC1=O Amb25046889 [0,1,0,1,0,0|1,0,1]=4 1017 B13R1.4453 CCOC(=O)N1C(C)CCCC1=O Amb25305770 [0,1,0,1,0,0|1,0,0]=3 1018 B13R1.4453 C[C@@H]1CCC[C@H](O)[C@@H]1C(=O)OCC Amb24541588 [0,1,0,1,0,0|0,0,2]=4 1019 B13R1.4453 C[C@@H]1CCNC(=O)[C@H]1C(=O)OCC Amb25229956 [0,1,0,1,0,0|1,0,1]=4 1020 B13R1.12 CC1C(N)CCCN1C(=O)OCC Amb24621641 [0,1,0,1,0,0|1,0,1]=4 1021 B13R1.12 CCOC(=O)C1=CCCC(O)C1O Amb25763901 [0,1,0,1,0,0|1,0,0]=3 1022 B13R1.19 CCNC(=O)C=C1CCC(C)CC1 Amb24719223 [0,1,0,1,0,0|1,0,0]=3 1023 B13R1.19 CCOC(=O)C=C1CCC(=O)CC1 Amb25192516 [0,1,0,1,0,0|0,0,1]=3 1024 B13R1.19 CCOC(=O)C=C1CCC(C)CC1 Amb24405769 [0,1,0,1,0,0|0,0,0]=2 1025 B13R1.19 CCOC(=O)C=C1CCN(C)CC1 Amb25723780 [0,1,0,1,0,0|1,0,0]=3 1026 B13R1.19 CCOC(=O)CN1CCC(CC1)N Amb1117564 [0,1,0,1,0,0|1,0,1]=4 1027 B13R1.19 CCOC(=O)CN1CCC(N)CC1 Amb19891761 [0,1,0,1,0,0|1,0,1]=4 1028 B13R1.19 CCOC(=O)C[C@@H]1CC[C@@H](N)CC1 Amb22745881 [0,1,0,1,0,0|0,0,2]=4 1029 B13R1.19 CCOC(=O)N[C@@H]1CC[C@@H](N)CC1 Amb25073504 [0,1,0,1,0,0|1,0,1]=4 1030 B13R1.1463 CCOC(=O)C=1CCC(O)C=CC1 Amb24379927 [0,1,0,1,0,0|0,0,2]=4 1031 B13R1.1463 CCOC(=O)N1CCCC(N)CC1 Amb25138732 [0,1,0,1,0,0|1,0,1]=4 1032 B13R1.1463 CCOC(=O)N1CCCC(O)C=C1 Amb25796354 [0,1,0,1,0,0|1,0,1]=4 1033 B13R1.1463 CCOC(=O)N1CCCC(O)CC1 Amb25767600 [0,1,0,1,0,0|1,0,1]=4 1034 B13R1.164 CC(=C)CCC1C=CC(=O)CC1C Amb24378415 [0,1,0,1,0,0|1,0,1]=4 1035 B13R1.465 CCOC(=O)C1NCCCC1(C)C Amb25135305 [0,1,0,1,0,0|1,0,1]=4 1036 B13R1.465 C\C=C\C(=O)C1=CCCCC1(C)C Amb24722796 [0,1,0,1,0,0|1,0,1]=4 1037 B13R1.692 CCOC(=O)NC1CCCC1(C)C Amb25731784 [0,1,0,1,0,0|1,0,1]=4 1038 B13R1.692 CCOC(=O)\C=C/1\CCCC1(C)C Amb25725190 [0,1,0,1,0,0|0,0,0]=2 1039 B13R1.1496 CCOC(=O)NCCC(O)C1CC1 Amb21941677 [0,1,0,1,0,0|1,0,1]=4 1040 B13R1.1511 CC1CC(N)CCC1C(=O)OCC Amb25849365 [0,1,0,1,0,0|0,0,2]=4 1041 B13R1.1511 CCOC(=O)C1=CCC(C)CC1=O Amb24406184 [0,1,0,1,0,0|1,0,1]=4 1042 B13R1.1511 C[C@@H]1CC=C([C@@H](O)C1)C(=O)OCC Amb25215876 [0,1,0,1,0,0|1,0,0]=3 1043 B13R1.1511 C[C@@H]1CC=C([C@H](O)C1)C(=O)OCC Amb24570016 [0,1,0,1,0,0|1,0,0]=3 1044 B13R2.3729 O=C1NCC2CCCCCC2O1 Amb25378885 [0,0,0,2,0,0|1,0,1]=4 1045 B13R2.3729 O=C1NC[C@@H]2CCCCC[C@@H]2O1 Amb25276457 [0,0,0,2,0,0|1,0,1]=4 1046 B13R2.4719 O=C1CC2CC(CCCCC2)=C1 Amb25116523 [0,0,0,2,0,0|1,0,0]=3 1047 B13R2.4818 CC1CCCC2NC=CC(=O)N21 Amb24726022 [0,0,0,2,0,0|2,0,0]=4 1048 B13R2.4820 O=C1CCCC=2CCCCNC21 Amb25771825 [0,0,0,2,0,0|2,0,0]=4 1049 B13R2.5179 CC1CCCC2=CC(=O)CC[C@@H]21 Amb25093749 [0,0,0,2,0,0|1,0,0]=3 1050 B13R2.5179 O=C1CCC2C(=C1)CCCC2C Amb17594083 [0,0,0,2,0,0|1,0,0]=3 1051 B13R2.5331 O=C1CCCC(=C1)OCC2CC2 Amb24378951 [0,0,0,2,0,0|2,0,0]=4 1052 B13R2.11128 O=C1CC2(CCO1)CCCCC2 Amb24737335 [0,0,0,2,0,0|0,0,2]=4 1053 B13R2.15 O=C/1OCC\C1=C\2/CCCCN2 Amb24342221 [0,0,0,2,0,0|1,0,0]=3 1054 B13R2.15 O=C1CCCC1=C2CCCCN2 Amb24571219 [0,0,0,2,0,0|2,0,0]=4 1055 B13R2.15 O=C1OCCC1=C2NCCCN2 Amb25363302 [0,0,0,2,0,0|2,0,0]=4 1056 B13R2.328 CC=1OC(=O)C=C2CCCCC21 Amb24102196 [0,0,0,2,0,0|0,0,2]=4 1057 B13R2.328 CN1CC(=O)C=C2CCCCC12 Amb25767791 [0,0,0,2,0,0|2,0,0]=4 1058 B13R2.328 CN1CC(=O)C=C2CCCC[C@@H]12 Amb24645497 [0,0,0,2,0,0|2,0,0]=4 1059 B13R2.328 CN1CC(=O)C=C2CCCC[C@H]12 Amb25202617 [0,0,0,2,0,0|2,0,0]=4 1060 B13R2.328 C[C@H]1OC(=O)N[C@H]2CCCC[C@@H]21 Amb25366397 [0,0,0,2,0,0|1,0,1]=4 1061 B13R2.444 O=C(C=C1CCCCC1)N2CC2 Amb25852394 [0,0,0,2,0,0|1,0,0]=3 1062 B13R2.820 CCOC(=O)C1[C@@H]2CCN1CC2 Amb13885833 [0,0,0,2,0,0|1,0,1]=4 1063 B13R2.820 CCOC(=O)N1C2CCC1CC2 Amb24460896 [0,0,0,2,0,0|1,0,1]=4 1064 B13R2.882 CCOC(=O)NC1C2CCCC21 Amb24531448 [0,0,0,2,0,0|1,0,1]=4 1065 B13R2.882 CCOC(=O)NC1[C@H]2CCC[C@H]21 Amb25816740 [0,0,0,2,0,0|1,0,1]=4 1066 B13R2.29 O=C1CCCC1=CC2CCCC2 Amb25282740 [0,0,0,2,0,0|1,0,0]=3 1067 B13R2.461 CCOC(=O)C1OC12CCCC2 Amb25693749 [0,0,0,2,0,0|1,0,1]=4 1068 B13R2.797 CCOC(=O)N1CC2CCCC12 Amb24363286 [0,0,0,2,0,0|1,0,1]=4 1069 B13R2.856 CCCC(=O)C1=CC2CCC1C2 Amb24621329 [0,0,0,2,0,0|1,0,0]=3 1070 B13R2.856 CCOC(=O)C1NC2CC1CC2 Amb24061101 [0,0,0,2,0,0|1,0,1]=4 1071 B13R2.856 CCOC(=O)C1N[C@@H]2C[C@H]1CC2 Amb24514863 [0,0,0,2,0,0|1,0,1]=4 1072 B13R2.856 CCOC(=O)C1N[C@H]2C[C@@H]1CC2 Amb24514927 [0,0,0,2,0,0|1,0,1]=4 1073 B13R2.856 CCOC(=O)N1NC2CC1CC2 Amb25378202 [0,0,0,2,0,0|2,0,0]=4 1074 B13R2.856 CCOC(=O)[C@@H]1N[C@@H]2C[C@@H]1CC2 Amb24514934 [0,0,0,2,0,0|1,0,1]=4 1075 B13R2.856 CCOC(=O)[C@@H]1N[C@@H]2C[C@H]1CC2 Amb19514348 [0,0,0,2,0,0|1,0,1]=4 1076 B13R2.856 CCOC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Amb17719290 [0,0,0,2,0,0|1,0,1]=4 1077 B13R2.856 CCOC(=O)[C@H]1N[C@@H]2C[C@H]1CC2 Amb25270653 [0,0,0,2,0,0|1,0,1]=4 1078 B13R2.856 CCOC(=O)[C@H]1N[C@H]2C[C@@H]1CC2 Amb2372530 [0,0,0,2,0,0|1,0,1]=4 1079 B13R2.856 CCOC(=O)[C@H]1N[C@H]2C[C@H]1CC2 Amb25174933 [0,0,0,2,0,0|1,0,1]=4 1080 B13R2.4666 OC1OC(=O)C=C1C2CCCC2 Amb25332341 [0,0,0,2,0,0|1,0,0]=3 1081 B13R2.5047 CC1=CC(=O)C=CC12CCCC2 Amb24693794 [0,0,0,2,0,0|1,0,1]=4 1082 B13R2.5047 C[C@H]1CC(=O)C=C[C@]12CCCO2 Amb24621302 [0,0,0,2,0,0|2,0,0]=4 1083 B13R2.5047 OC1CC(=O)C=CC12CCCC2 Amb25086638 [0,0,0,2,0,0|2,0,0]=4 1084 B13R2.4787 O=C1CC2CCCCCCC=C12 Amb25729211 [0,0,0,2,0,0|1,0,0]=3 1085 B13R2.4787 O=C1NC2CCCCCCC=C12 Amb24410936 [0,0,0,2,0,0|1,0,0]=3 1086 B13R2.34 C[C@]12CC(=O)C=CC1CCCC2 Amb24370176 [0,0,0,2,0,0|1,0,0]=3 1087 B13R2.4023 CC1=CC(=O)C2=CCCCCC21 Amb25807643 [0,0,0,2,0,0|1,0,1]=4 1088 B13R2.4023 CC1=CC(=O)C=2CCCCCC21 Amb25322852 [0,0,0,2,0,0|1,0,1]=4 1089 B13R2.4023 CC1CC(=O)C2=CCCCCC21 Amb24357261 [0,0,0,2,0,0|1,0,0]=3 1090 B13R2.4023 CC1CC(=O)C=2CCCCCC21 Amb25793015 [0,0,0,2,0,0|1,0,0]=3 1091 B13R2.4023 O=C1CC(C2=C1CCCCC2)O Amb17594132 [0,0,0,2,0,0|2,0,0]=4 1092 B13R2.4023 O=C1OC(=O)C=2CCCCCC12 Amb22364776 [0,0,0,2,0,0|1,0,1]=4 1093 B13R2.4746 CC12CCCCCC1NC(=O)O2 Amb24411559 [0,0,0,2,0,0|1,0,1]=4 1094 B13R2.3038 C[C@@]12CCCC=C1C(=O)CCC2 Amb24619637 [0,0,0,2,0,0|1,0,0]=3 1095 B13R2.3040 CC1CCCC(=O)C2=CCCC21 Amb24408471 [0,0,0,2,0,0|1,0,0]=3 1096 B13R2.218 O=C1CCCCC2CCCC2=C1 Amb24364204 [0,0,0,2,0,0|1,0,0]=3 1097 B13R2.33 O=C1CCC2CCCCN2C=C1 Amb25839298 [0,0,0,2,0,0|2,0,0]=4 1098 B13R2.33 O=C1COC2CCCCC2C=C1 Amb24551521 [0,0,0,2,0,0|2,0,0]=4 1099 B13R2.3672 O=C1C=CC2CCCCCCC12 Amb25735813 [0,0,0,2,0,0|1,0,0]=3 1100 B13R2.3672 O=C1C=C[C@@H]2CCCCCC[C@@H]12 Amb24706770 [0,0,0,2,0,0|1,0,0]=3 1101 B13R2.4688 O=C1C=C2CCCCCC=C2O1 Amb24626115 [0,0,0,2,0,0|0,0,2]=4 1102 B13R2.4688 O=C1C=C2CCCCCCC2O1 Amb25111906 [0,0,0,2,0,0|0,0,0]=2 1103 B13R2.4688 O=C1CC2CCCCCOC2=C1 Amb24736199 [0,0,0,2,0,0|2,0,0]=4 1104 B13R2.4688 O=C1N[C@@H]2CCCCCC[C@@H]2O1 Amb25289252 [0,0,0,2,0,0|1,0,1]=4 1105 B13R2.4688 O=C1N[C@H]2CCCCCC[C@@H]2O1 Amb25343907 [0,0,0,2,0,0|1,0,1]=4 1106 B13R2.5252 O=C1C=CCC[C@@H]2CCCC[C@H]12 Amb25179688 [0,0,0,2,0,0|1,0,0]=3 1107 B13R2.5252 O=C1CCCCC2CCCC=C12 Amb24416717 [0,0,0,2,0,0|1,0,0]=3 1108 B13R2.5252 O=C1CCCC[C@@H]2CCCC=C12 Amb25059719 [0,0,0,2,0,0|1,0,0]=3 1109 B13R2.796 CCOC(=O)C12CC1CCCN2 Amb20668013 [0,0,0,2,0,0|1,0,1]=4 1110 B13R2.12120 CC12CCCC=C1C(=O)CC2C Amb24364102 [0,0,0,2,0,0|1,0,0]=3 1111 B13R2.12120 CC12CCCC=C1C(=O)OC2=O Amb17678757 [0,0,0,2,0,0|1,0,1]=4 1112 B13R2.14791 CCOC(=O)N1CCCC2CC12 Amb25283892 [0,0,0,2,0,0|1,0,1]=4 1113 B13R2.799 CC1CCC12OC2C(=O)OCC Amb25726682 [0,0,0,2,0,0|1,0,1]=4 1114 B13R2.3152 O=C1OCCC1NCC2CCC2 Amb24389534 [0,0,0,2,0,0|1,0,1]=4 1115 B13R2.7252 COC12CCC=C1C(=O)CCC2 Amb25177657 [0,0,0,2,0,0|2,0,0]=4 1116 B13R2.181 CC/1CCC\C1=C\2/CCCC2=O Amb25205840 [0,0,0,2,0,0|1,0,0]=3 1117 B13R2.181 CC1CCCC1=C2CCCC2=O Amb25179768 [0,0,0,2,0,0|1,0,0]=3 1118 B13R2.181 CC1CCCN1C2CCOC2=O Amb25131003 [0,0,0,2,0,0|1,0,1]=4 1119 B13R2.2283 O=C(C1CC1)C=2CCCCCC2 Amb18800842 [0,0,0,2,0,0|1,0,0]=3