0 B11R0.148 C#CCCCCCCCC(=O)O Amb22388895 [0,0,0,0,0,0|0,0,4]=4 1 B11R0.148 C#CCCCCC\C=C\C(=O)O Amb2609438 [0,0,0,0,0,0|0,0,2]=2 2 B11R0.148 C=C(Br)CCCCCCCCC Amb6298936 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.148 C=C(C)CCCCCCCCC Amb6298942 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.148 C=C(Cl)CCCCCCCCC Amb6298930 [0,0,0,0,0,0|2,0,2]=4 5 B11R0.148 C=CCCCCCCCC(=O)O Amb2686677 [0,0,0,0,0,0|0,0,4]=4 6 B11R0.148 CCCC#CC#C\C=C\C(=O)O Amb26925970 [0,0,0,0,0,0|0,0,4]=4 7 B11R0.148 CCCC#CCCC#CC(=O)O Amb28127282 [0,0,0,0,0,0|0,0,4]=4 8 B11R0.148 CCCCCCCCCC(=O)Cl Amb8513576 [0,0,0,0,0,0|1,0,2]=3 9 B11R0.148 CCCCCCCCCC(=O)O Amb5718031 [0,0,0,0,0,0|0,0,2]=2 10 B11R0.148 CCCCCCCCCC(C)=O Amb6307417 [0,0,0,0,0,0|1,0,2]=3 11 B11R0.148 CCCCCCCCCC(N)=O Amb6366435 [0,0,0,0,0,0|1,0,2]=3 12 B11R0.148 CCCCCCCCCC(N)=S Amb7794719 [0,0,0,0,0,0|1,1,2]=4 13 B11R0.148 CCCCCCCCCS(=O)Cl Amb32720537 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.148 CCCCCCCCCS(=O)[O-] Amb32755589 [0,0,0,0,0,0|1,0,3]=4 15 B11R0.148 CCCCCCCCCS(N)=O Amb32720538 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.148 CCCCCCCCNC(C)=O Amb33551736 [0,0,0,0,0,0|2,0,1]=3 17 B11R0.148 CCCCCCCCNC(N)=S Amb1152183 [0,0,0,0,0,0|2,1,1]=4 18 B11R0.148 CCCCCCCCOC(=O)Cl Amb8515453 [0,0,0,0,0,0|2,0,1]=3 19 B11R0.148 CCCCCCCCOC(C)=O Amb8515405 [0,0,0,0,0,0|2,0,1]=3 20 B11R0.148 CCCCCCCNCC(=O)O Amb19373457 [0,0,0,0,0,0|1,0,1]=2 21 B11R0.148 CCCCCCCNCC(=O)O Amb8827566 [0,0,0,0,0,0|1,0,1]=2 22 B11R0.148 CCCCCCC\C=C\B(O)O Amb33513070 [0,0,0,0,0,0|1,0,1]=2 23 B11R0.148 CCCCCCC\C=C\C(=O)O Amb6336657 [0,0,0,0,0,0|0,0,0]=0 24 B11R0.148 CCCCCCNCCC(=O)O Amb8830823 [0,0,0,0,0,0|1,0,2]=3 25 B11R0.148 CCCCCC\C=C/C=C(C)C Amb22546455 [0,0,0,0,0,0|2,0,1]=3 26 B11R0.148 CCCCC\C=C\CCC(=O)O Amb24079160 [0,0,0,0,0,0|0,0,4]=4 27 B11R0.148 CCCCOCCOCC(=O)O Amb9204477 [0,0,0,0,0,0|2,0,1]=3 28 B11R0.148 CCCCSCCCCC(=O)O Amb1032990 [0,0,0,0,0,0|1,0,2]=3 29 B11R0.148 CCC\C=C\CCCCC(=O)O Amb24063196 [0,0,0,0,0,0|0,0,4]=4 30 B11R0.148 CCNCCOCCCC(=O)O Amb18110845 [0,0,0,0,0,0|2,0,2]=4 31 B11R0.148 CCOCCOCCCC(=O)O Amb6262117 [0,0,0,0,0,0|2,0,2]=4 32 B11R0.148 CNCCCNCCCC(=O)O Amb28963363 [0,0,0,0,0,0|2,0,2]=4 33 B11R0.148 CNCCCNCCCC(=O)O Amb33470189 [0,0,0,0,0,0|2,0,2]=4 34 B11R0.148 COCCOCCC#CC(=O)O Amb33168990 [0,0,0,0,0,0|2,0,2]=4 35 B11R0.148 COCCOCCCCC(=O)O Amb9207792 [0,0,0,0,0,0|2,0,2]=4 36 B11R0.148 COCCOCCOCC(=O)O Amb3940728 [0,0,0,0,0,0|3,0,1]=4 37 B11R0.148 NCCCCSCCCC(=O)O Amb17500972 [0,0,0,0,0,0|2,0,2]=4 38 B11R0.148 O=C(O)CCCCCCCCBr Amb8631538 [0,0,0,0,0,0|1,0,2]=3 39 B11R0.148 O=C(O)CCCCCCCCO Amb3372037 [0,0,0,0,0,0|1,0,2]=3 40 B10R0.4 C#CCCCN\C=C\C(=O)O Amb28387111 [1,0,0,0,0,0|1,0,2]=4 41 B10R0.4 C=C(Br)CCCCCCCC Amb6298935 [1,0,0,0,0,0|2,0,1]=4 42 B10R0.4 C=C(C)CCCCCCCC Amb6298941 [1,0,0,0,0,0|2,0,1]=4 43 B10R0.4 C=C(C)\C=C\CCCCCC Amb22546604 [1,0,0,0,0,0|2,0,0]=3 44 B10R0.4 C=C(Cl)CCCCCCCC Amb6298929 [1,0,0,0,0,0|2,0,1]=4 45 B10R0.4 CC(=O)NCCCCCCN Amb5786933 [1,0,0,0,0,0|3,0,0]=4 46 B10R0.4 CC(=O)NCCCCCCO Amb24113372 [1,0,0,0,0,0|3,0,0]=4 47 B10R0.4 CC(=O)OCCCCCCBr Amb24063174 [1,0,0,0,0,0|3,0,0]=4 48 B10R0.4 CC(=O)SCCCCCCN Amb31031026 [1,0,0,0,0,0|3,0,0]=4 49 B10R0.4 CC(=O)SCCCCCCN Amb33276211 [1,0,0,0,0,0|3,0,0]=4 50 B10R0.4 CCC#CCCCCC(=O)O Amb27269519 [1,0,0,0,0,0|0,0,3]=4 51 B10R0.4 CCCC#CCCCC(=O)O Amb27269520 [1,0,0,0,0,0|0,0,3]=4 52 B10R0.4 CCCC#CC\C=C\C(=O)O Amb25991326 [1,0,0,0,0,0|0,0,2]=3 53 B10R0.4 CCCCCCC#CC(=O)O Amb2780028 [1,0,0,0,0,0|0,0,2]=3 54 B10R0.4 CCCCCCC#CC(C)=O Amb27672631 [1,0,0,0,0,0|1,0,2]=4 55 B10R0.4 CCCCCCCCB(O)O Amb2456044 [1,0,0,0,0,0|1,0,2]=4 56 B10R0.4 CCCCCCCCC(=O)Cl Amb3941485 [1,0,0,0,0,0|1,0,1]=3 57 B10R0.4 CCCCCCCCC(=O)O Amb3940373 [1,0,0,0,0,0|0,0,1]=2 58 B10R0.4 CCCCCCCCC(=O)[O-] Amb22729912 [1,0,0,0,0,0|0,0,2]=3 59 B10R0.4 CCCCCCCCC(C)=O Amb8513861 [1,0,0,0,0,0|1,0,1]=3 60 B10R0.4 CCCCCCCCC(N)=O Amb8999041 [1,0,0,0,0,0|1,0,1]=3 61 B10R0.4 CCCCCCCC[C@@H](C)O Amb19929333 [1,0,0,0,0,0|1,0,2]=4 62 B10R0.4 CCCCCCCNC(N)=S Amb2688655 [1,0,0,0,0,0|2,1,0]=4 63 B10R0.4 CCCCCCCOC(=O)Cl Amb19886548 [1,0,0,0,0,0|2,0,0]=3 64 B10R0.4 CCCCCCCOC(C)=O Amb6366320 [1,0,0,0,0,0|2,0,0]=3 65 B10R0.4 CCCCCCCOC(N)=O Amb32668733 [1,0,0,0,0,0|2,0,0]=3 66 B10R0.4 CCCCCCCSC(=N)N Amb22487432 [1,0,0,0,0,0|3,0,0]=4 67 B10R0.4 CCCCCCNCC(=O)O Amb8827565 [1,0,0,0,0,0|1,0,1]=3 68 B10R0.4 CCCCCCOCC(=O)O Amb7790032 [1,0,0,0,0,0|1,0,1]=3 69 B10R0.4 CCCCCC\C=C\B(O)O Amb2456043 [1,0,0,0,0,0|1,0,1]=3 70 B10R0.4 CCCCCC\C=C\C(=O)O Amb3940553 [1,0,0,0,0,0|0,0,0]=1 71 B10R0.4 CCCCCC\C=C\C(C)=O Amb22052629 [1,0,0,0,0,0|1,0,0]=2 72 B10R0.4 CCCCCC\C=C\C(C)O Amb22641689 [1,0,0,0,0,0|1,0,1]=3 73 B10R0.4 CCCCCNCCC(=O)O Amb7755694 [1,0,0,0,0,0|1,0,1]=3 74 B10R0.4 CCCCC\C=C\C=C(C)C Amb22546758 [1,0,0,0,0,0|2,0,1]=4 75 B10R0.4 CCCCC\C=C\NC(C)=O Amb28080162 [1,0,0,0,0,0|2,0,1]=4 76 B10R0.4 CCCCSCCCC(=O)O Amb9280591 [1,0,0,0,0,0|1,0,1]=3 77 B10R0.4 CCCNCCCOC(C)=O Amb18924647 [1,0,0,0,0,0|3,0,0]=4 78 B10R0.4 CCC\C=C\CCCC(=O)O Amb33079428 [1,0,0,0,0,0|0,0,3]=4 79 B10R0.4 CCOCCCCCC(=O)O Amb22234334 [1,0,0,0,0,0|1,0,1]=3 80 B10R0.4 CCOCCOCCC(=O)O Amb6273854 [1,0,0,0,0,0|2,0,1]=4 81 B10R0.4 CC\C=C\CN\C=C\C(=O)O Amb28387904 [1,0,0,0,0,0|1,0,2]=4 82 B10R0.4 CNCCOCCCC(=O)O Amb18106300 [1,0,0,0,0,0|2,0,1]=4 83 B10R0.4 COCCCNCCC(=O)O Amb8841109 [1,0,0,0,0,0|2,0,1]=4 84 B10R0.4 COCCCOCCC(=O)O Amb18180046 [1,0,0,0,0,0|2,0,1]=4 85 B10R0.4 COCCOCCCC(=O)O Amb6271198 [1,0,0,0,0,0|2,0,1]=4 86 B10R0.4 COCCOC\C=C\C(=O)O Amb18182499 [1,0,0,0,0,0|2,0,0]=3 87 B10R0.4 CSCCCCCCC(=O)O Amb28652939 [1,0,0,0,0,0|1,0,1]=3 88 B10R0.4 C\C=C\CCN\C=C\C(=O)O Amb28386735 [1,0,0,0,0,0|1,0,2]=4 89 B10R0.4 NCCCCCCCC(=O)O Amb19929586 [1,0,0,0,0,0|1,0,1]=3 90 B10R0.4 NCCCCCCCC(=O)O Amb1994908 [1,0,0,0,0,0|1,0,1]=3 91 B10R0.4 NCCCCCCNC(=O)O Amb22494605 [1,0,0,0,0,0|2,0,0]=3 92 B10R0.4 NCCCNCCCC(=O)O Amb18183427 [1,0,0,0,0,0|2,0,1]=4 93 B10R0.4 NCCCNCCCC(=O)O Amb33172775 [1,0,0,0,0,0|2,0,1]=4 94 B10R0.4 NCCCOCCCC(=O)O Amb18111568 [1,0,0,0,0,0|2,0,1]=4 95 B10R0.4 NCCCSCCCC(=O)O Amb17500719 [1,0,0,0,0,0|2,0,1]=4 96 B10R0.4 O=C(O)CCCCCCCBr Amb3940372 [1,0,0,0,0,0|1,0,1]=3 97 B10R0.4 O=C(O)CCCCCCCO Amb2688777 [1,0,0,0,0,0|1,0,1]=3 98 B10R0.4 O=C(O)CCCCOCCO Amb7782972 [1,0,0,0,0,0|2,0,1]=4 99 B10R0.4 O=C(O)CCCSCCCO Amb17502860 [1,0,0,0,0,0|2,0,1]=4 100 B10R0.4 O=C([O-])CCCCCCCO Amb33513015 [1,0,0,0,0,0|1,0,2]=4 101 B10R0.71 C=C\C=C/C=C/CCCCC Amb22546765 [1,0,0,0,0,0|1,0,2]=4 102 B10R0.71 CCCCCC#C\C=C\CO Amb25383013 [1,0,0,0,0,0|0,0,3]=4 103 B10R0.71 CCCCCCCC#CCO Amb17774678 [1,0,0,0,0,0|0,0,3]=4 104 B10R0.71 CCCCCCCCCC=O Amb3940437 [1,0,0,0,0,0|0,0,2]=3 105 B10R0.71 CCCCCCCCCCO Amb3940390 [1,0,0,0,0,0|0,0,3]=4 106 B10R0.71 CCCCCCCCN=C=O Amb3940552 [1,0,0,0,0,0|1,0,2]=4 107 B10R0.71 CCCCCCCCNC=O Amb9787543 [1,0,0,0,0,0|1,0,1]=3 108 B10R0.71 CCCCCCCNCCO Amb7809068 [1,0,0,0,0,0|1,0,2]=4 109 B10R0.71 CCCCCCCOCCO Amb8515986 [1,0,0,0,0,0|1,0,2]=4 110 B10R0.71 CCCCCCCSCCO Amb7968786 [1,0,0,0,0,0|1,0,2]=4 111 B10R0.71 CCCCCCC\C=C\C=O Amb8517160 [1,0,0,0,0,0|0,0,0]=1 112 B10R0.71 CCCCCC\C=C\CCO Amb22641690 [1,0,0,0,0,0|0,0,3]=4 113 B10R0.71 CCCCC\C=C\C=C\C=O Amb8392854 [1,0,0,0,0,0|0,0,2]=3 114 B10R0.71 C\C=C\C=C\CCCCCC Amb22546597 [1,0,0,0,0,0|1,0,1]=3 115 B12R0.4 CCCCCCCC(=O)CC(C)=O Amb19068864 [0,1,0,0,0,0|1,0,1]=3 116 B12R0.4 CCCCCCCC(C)OC(C)=O Amb22734609 [0,1,0,0,0,0|2,0,1]=4 117 B12R0.4 CCCCCCCC(N)CC(=O)O Amb32666363 [0,1,0,0,0,0|0,0,2]=3 118 B12R0.4 CCCCCCCC(N)CC(=O)O Amb33141063 [0,1,0,0,0,0|0,0,2]=3 119 B12R0.4 CCCCCCCC(N)CC(=O)O Amb33533164 [0,1,0,0,0,0|0,0,2]=3 120 B12R0.4 CCCCCCCC(N)CC(N)=O Amb33253906 [0,1,0,0,0,0|1,0,2]=4 121 B12R0.4 CCCCCCCC(O)CC(=O)O Amb19071697 [0,1,0,0,0,0|0,0,2]=3 122 B12R0.4 CCCCCCC[C@@H](N)CC(=O)O Amb33172824 [0,1,0,0,0,0|0,0,2]=3 123 B12R0.4 CCCCCCC[C@@H](N)CC(=O)O Amb33172825 [0,1,0,0,0,0|0,0,2]=3 124 B12R0.4 CCCCCCC[C@H](O)CC(=O)O Amb33620732 [0,1,0,0,0,0|0,0,2]=3 125 B12R0.95 CCCCC(=O)CCCCC(=O)O Amb6305232 [0,1,0,0,0,0|0,0,3]=4 126 B12R0.233 CCCCCC(=O)CCCC(=O)O Amb6305235 [0,1,0,0,0,0|0,0,3]=4 127 B12R0.234 C#CCCCCCCCCC(=O)O Amb536933 [0,1,0,0,0,0|0,0,3]=4 128 B12R0.234 C=CCCCCCCCCC(=O)O Amb533736 [0,1,0,0,0,0|0,0,3]=4 129 B12R0.234 CC#CCCCCCCCC(=O)O Amb6565389 [0,1,0,0,0,0|0,0,3]=4 130 B12R0.234 CC(=O)OCCCCCCCCBr Amb24063233 [0,1,0,0,0,0|2,0,1]=4 131 B12R0.234 CCCCCCCCCCC(=O)Cl Amb9787304 [0,1,0,0,0,0|1,0,2]=4 132 B12R0.234 CCCCCCCCCCC(=O)O Amb3941499 [0,1,0,0,0,0|0,0,2]=3 133 B12R0.234 CCCCCCCCCCC(C)=O Amb6366439 [0,1,0,0,0,0|1,0,2]=4 134 B12R0.234 CCCCCCCCCOC(C)=O Amb6366259 [0,1,0,0,0,0|1,0,2]=4 135 B12R0.234 CCCCCCCCOCC(=O)O Amb7790043 [0,1,0,0,0,0|0,0,2]=3 136 B12R0.234 CCCCCCCC\C=C\C(=O)O Amb33987634 [0,1,0,0,0,0|0,0,0]=1 137 B12R0.234 CCOCCOCCCCC(=O)O Amb9207787 [0,1,0,0,0,0|1,0,2]=4 138 B12R0.234 N#CCCCCCCCCC(=O)O Amb4008315 [0,1,0,0,0,0|0,0,3]=4 139 B12R0.234 NCCCCCCCCCC(=O)O Amb2229638 [0,1,0,0,0,0|0,0,2]=3 140 B12R0.234 NCCCCCCCCCC(=O)O Amb31030991 [0,1,0,0,0,0|0,0,2]=3 141 B12R0.234 O=C(O)CCCCCCCCCBr Amb4014619 [0,1,0,0,0,0|0,0,2]=3 142 B12R0.234 O=C(O)CCCCCCCCCO Amb3940517 [0,1,0,0,0,0|0,0,2]=3 143 B12R0.234 O=C(O)\C=C\CCCCCCCO Amb33757093 [0,1,0,0,0,0|0,0,0]=1 144 B12R0.248 C=CC(=O)NCCCCCCCC Amb28556071 [0,1,0,0,0,0|2,0,1]=4 145 B12R0.248 C=CC(=O)OCCCCCCCC Amb2778626 [0,1,0,0,0,0|2,0,1]=4 146 B12R0.248 CCCCCCCCCC(=O)NN Amb6530432 [0,1,0,0,0,0|1,0,2]=4 147 B12R0.248 CCCCCCCCCC(=O)NO Amb33548521 [0,1,0,0,0,0|0,0,2]=3 148 B12R0.248 CCCCCCCCCC(=O)OC Amb4378003 [0,1,0,0,0,0|0,0,2]=3 149 B12R0.248 CCCCCCCCNC(=O)CBr Amb17329848 [0,1,0,0,0,0|2,0,1]=4 150 B12R0.248 CCCCCCCCNC(=O)CCl Amb9786173 [0,1,0,0,0,0|2,0,1]=4 151 B12R0.248 CCCCCCCCNC(=O)CN Amb24115163 [0,1,0,0,0,0|2,0,1]=4 152 B12R0.248 CCCCCCCCOC(=O)CN Amb2688623 [0,1,0,0,0,0|2,0,1]=4 153 B12R0.248 CCCCCCCCOC(=O)C[NH3+] Amb22049491 [0,1,0,0,0,0|2,0,1]=4 154 B12R0.248 COC(=O)CCCCCCCCBr Amb34913614 [0,1,0,0,0,0|1,0,2]=4 155 B12R0.248 COC(=O)CCCCCCCCO Amb17616943 [0,1,0,0,0,0|1,0,2]=4 156 B12R0.248 COCCCCCNCC(=O)OC Amb33133279 [0,1,0,0,0,0|2,0,1]=4 157 B12R0.251 CCCCCCCCC(Br)C(=O)O Amb22347926 [0,1,0,0,0,0|0,0,2]=3 158 B12R0.251 CCCCCCCCC(C)C(=O)O Amb19058533 [0,1,0,0,0,0|0,0,2]=3 159 B12R0.251 CCCCCCCCC(F)=C(F)F Amb10840896 [0,1,0,0,0,0|2,0,1]=4 160 B12R0.251 CCCCCCCCC(N)C(=O)O Amb4134809 [0,1,0,0,0,0|0,0,2]=3 161 B12R0.251 CCCCCCCCC(N)C(N)=O Amb32937043 [0,1,0,0,0,0|1,0,2]=4 162 B12R0.251 CCCCCCCCC(O)C(=O)O Amb6295799 [0,1,0,0,0,0|0,0,2]=3 163 B12R0.251 CCCCCCCCN(C)C(C)=O Amb24096791 [0,1,0,0,0,0|2,0,1]=4 164 B12R0.251 CCCCCCCC[C@@H](N)C(=O)O Amb22745440 [0,1,0,0,0,0|0,0,2]=3 165 B12R0.251 CCCCCCCC[C@H](N)C(=O)O Amb28974737 [0,1,0,0,0,0|0,0,2]=3 166 B12R0.251 CCCCCCCSC(C)C(=O)O Amb7794235 [0,1,0,0,0,0|1,0,1]=3 167 B12R0.251 CCCCOCCNC(=O)C(=O)O Amb19077636 [0,1,0,0,0,0|2,0,0]=3 168 B12R0.251 CCCNCCSCC(=O)C(=O)O Amb33069824 [0,1,0,0,0,0|2,0,1]=4 169 B12R0.251 CCNCCCSCC(=O)C(=O)O Amb33069819 [0,1,0,0,0,0|2,0,1]=4 170 B12R0.251 CNCCCCSCC(=O)C(=O)O Amb33069872 [0,1,0,0,0,0|2,0,1]=4 171 B12R0.251 COCCOCCNC(=O)C(=O)O Amb19078444 [0,1,0,0,0,0|3,0,0]=4 172 B12R0.251 NCCCCCSCC(=O)C(=O)O Amb33069796 [0,1,0,0,0,0|2,0,1]=4 173 B12R0.251 O=C(O)C(=O)CSCCCCCBr Amb33069745 [0,1,0,0,0,0|2,0,1]=4 174 B12R0.251 O=C(O)C(=O)CSCCCCCCl Amb33069763 [0,1,0,0,0,0|2,0,1]=4 175 B12R0.251 O=C(O)C(=O)CSCCCCCO Amb33069713 [0,1,0,0,0,0|2,0,1]=4 176 B12R0.251 O=C(O)C(=O)CSCCCCCS Amb33069990 [0,1,0,0,0,0|2,0,1]=4 177 B12R0.255 CCCCCCC(=O)NCC(=O)O Amb9013683 [0,1,0,0,0,0|1,0,2]=4 178 B12R0.255 CCCCCCC(O)CCC(=O)O Amb19071689 [0,1,0,0,0,0|0,0,2]=3 179 B12R0.255 CCCCCCC(O)CCC(=O)[O-] Amb19149307 [0,1,0,0,0,0|0,0,3]=4 180 B12R0.255 CCCCCCC(O)CCC(=O)[O-] Amb31145472 [0,1,0,0,0,0|0,0,3]=4 181 B12R0.255 COCCCNC(=O)\C=C\C(=O)O Amb9251697 [0,1,0,0,0,0|2,0,1]=4 182 B12R0.268 CC(=O)CCCCCCCC(=O)O Amb17938671 [0,1,0,0,0,0|0,0,3]=4 183 B12R0.268 CC(=O)CCCCC\C=C\C(=O)O Amb2610938 [0,1,0,0,0,0|0,0,1]=2 184 B12R0.268 CC(C)CCCCCCCC(=O)O Amb24117911 [0,1,0,0,0,0|0,0,2]=3 185 B12R0.268 CC(C)CCOCCCCC(=O)O Amb9207788 [0,1,0,0,0,0|1,0,2]=4 186 B12R0.268 CC(C)SCCCCCCC(=O)O Amb32410629 [0,1,0,0,0,0|1,0,2]=4 187 B12R0.277 CCCC(=O)CCCCCC(=O)O Amb6305242 [0,1,0,0,0,0|0,0,3]=4 188 B12R1.7 CCCCCCC1CCC(=O)O1 Amb569753 [0,0,0,1,0,0|0,0,2]=3 189 B12R1.7 CCCCCCc1ccc(Br)s1 Amb22235381 [0,0,0,1,0,0|1,1,1]=4 190 B12R1.7 CCCCCCn1cc(O)cn1 Amb32412740 [0,0,0,1,0,0|3,0,0]=4 191 B12R1.7 CCCCCCn1ccc(N)n1 Amb18792974 [0,0,0,1,0,0|3,0,0]=4 192 B12R1.7 CCCCNCc1ccc(C)o1 Amb19890503 [0,0,0,1,0,0|2,0,1]=4 193 B12R1.7 CCCCNCc1ccc(C)o1 Amb2592338 [0,0,0,1,0,0|2,0,1]=4 194 B12R1.28 CCCCCC1CCCC(=O)O1 Amb4493671 [0,0,0,1,0,0|0,0,2]=3 195 B12R1.28 CCCCCc1cccc(O)c1 Amb8388639 [0,0,0,1,0,0|1,0,2]=4 196 B12R1.75 CCC1CCCCC1CC(=O)O Amb25152261 [0,0,0,1,0,0|0,0,2]=3 197 B12R1.75 CCC1CCCCC1CC(C)=O Amb27495385 [0,0,0,1,0,0|1,0,2]=4 198 B12R1.75 CCC1CCCCC1NC(=O)Cl Amb35625776 [0,0,0,1,0,0|2,0,1]=4 199 B12R1.75 CCC1CCCCC1OC(=O)Cl Amb27181224 [0,0,0,1,0,0|2,0,1]=4 200 B12R1.75 CCC1CCCCC1OC(C)=O Amb27766398 [0,0,0,1,0,0|2,0,1]=4 201 B12R1.75 CCC1CCCCN1CC(=O)Cl Amb17143064 [0,0,0,1,0,0|2,0,1]=4 202 B12R1.75 CCC1CCCCN1CC(=O)O Amb5380767 [0,0,0,1,0,0|1,0,1]=3 203 B12R1.75 CCC1CCCCN1CC(N)=O Amb17142913 [0,0,0,1,0,0|2,0,1]=4 204 B12R1.75 CCC1CCCC\C1=C\C(=O)O Amb33468654 [0,0,0,1,0,0|0,0,0]=1 205 B12R1.75 CCC1CCCC\C1=N/S(C)=O Amb35692831 [0,0,0,1,0,0|3,0,0]=4 206 B12R1.75 CC[C@@H]1NCCC[C@H]1CC(=O)O Amb18198537 [0,0,0,1,0,0|1,0,2]=4 207 B12R1.75 CC[C@H]1NCCC[C@@H]1CC(=O)O Amb27654051 [0,0,0,1,0,0|1,0,2]=4 208 B12R1.75 COC1COCC\C1=C/C(=O)O Amb27810547 [0,0,0,1,0,0|2,0,0]=3 209 B12R1.75 NCC1=C(CC(=O)O)CCCC1 Amb27645397 [0,0,0,1,0,0|1,0,2]=4 210 B12R1.75 NCC1CCCCC1CC(=O)O Amb10843836 [0,0,0,1,0,0|1,0,2]=4 211 B12R1.75 NCC1CCCCN1CC(=O)O Amb18982971 [0,0,0,1,0,0|2,0,1]=4 212 B12R1.75 O=C(O)CC1CCCCC1CO Amb27392264 [0,0,0,1,0,0|1,0,2]=4 213 B12R1.75 O=C(O)CN1CCCCC1CO Amb18294605 [0,0,0,1,0,0|2,0,1]=4 214 B12R1.81 CCC1NCCC1C#CC(=O)O Amb33169069 [0,0,0,1,0,0|1,0,2]=4 215 B12R1.81 COC1CCCC1NCC(=O)O Amb18807777 [0,0,0,1,0,0|2,0,1]=4 216 B12R1.81 O=C(O)\C=C\N1CCC[C@@H]1CO Amb35711276 [0,0,0,1,0,0|2,0,0]=3 217 B12R1.81 O=C(O)\C=C\N1CCC[C@H]1CO Amb35711274 [0,0,0,1,0,0|2,0,0]=3 218 B12R1.125 C=C(C)\C=C\C1CCCCC1O Amb27972420 [0,0,0,1,0,0|3,0,0]=4 219 B12R1.125 CC(=O)\C=C\C1CCCCN1C Amb33322455 [0,0,0,1,0,0|2,0,0]=3 220 B12R1.125 CC(Cl)\C=C\C1CCCCC1C Amb27658137 [0,0,0,1,0,0|2,0,1]=4 221 B12R1.125 CC1CC=CCC1\C=C\C(=O)O Amb28343110 [0,0,0,1,0,0|0,0,2]=3 222 B12R1.125 CC1CCCCC1CNC(=O)Cl Amb35625849 [0,0,0,1,0,0|2,0,1]=4 223 B12R1.125 CC1CCCCC1OCC(=O)O Amb9726703 [0,0,0,1,0,0|1,0,1]=3 224 B12R1.125 CC1CCCCC1OCC(N)=O Amb18802286 [0,0,0,1,0,0|2,0,1]=4 225 B12R1.125 CC1CCCCC1\C=N\S(C)=O Amb35722138 [0,0,0,1,0,0|3,0,0]=4 226 B12R1.125 CC1CCCCN1CCC(=O)O Amb21953915 [0,0,0,1,0,0|1,0,2]=4 227 B12R1.125 CC1CCCCN1CCC(=O)O Amb2693037 [0,0,0,1,0,0|1,0,2]=4 228 B12R1.125 CC1CCCCN1\C=C\C(=O)O Amb28071417 [0,0,0,1,0,0|1,0,0]=2 229 B12R1.125 CC1CCCC\C1=N/CC(=O)O Amb27400353 [0,0,0,1,0,0|1,0,2]=4 230 B12R1.125 CC1CNCCC1C#CC(=O)O Amb33169019 [0,0,0,1,0,0|1,0,2]=4 231 B12R1.125 CC1CNCCC1CCC(=O)O Amb27858642 [0,0,0,1,0,0|1,0,2]=4 232 B12R1.125 CC1CNCCC1NCC(=O)O Amb27597159 [0,0,0,1,0,0|2,0,1]=4 233 B12R1.125 CC1CSCCN1\C=C\C(=O)O Amb27646734 [0,0,0,1,0,0|2,0,0]=3 234 B12R1.125 CC1SCCCC1OCC(=O)O Amb25117392 [0,0,0,1,0,0|2,0,1]=4 235 B12R1.125 CN1CCCCC1C#CC(=O)O Amb33169009 [0,0,0,1,0,0|1,0,2]=4 236 B12R1.125 CN1CCCCC1CCC(=O)O Amb10607785 [0,0,0,1,0,0|1,0,2]=4 237 B12R1.125 CN1CCCCC1CCC(=O)O Amb13949149 [0,0,0,1,0,0|1,0,2]=4 238 B12R1.125 CN1CCCCC1CCC(=O)O Amb28555723 [0,0,0,1,0,0|1,0,2]=4 239 B12R1.125 CN1CCCCC1\C=C\C(=O)O Amb33323102 [0,0,0,1,0,0|1,0,0]=2 240 B12R1.125 CN1CCCCC1\C=C\[N+](=O)[O-] Amb33322707 [0,0,0,1,0,0|2,0,1]=4 241 B12R1.125 NC1CCCCC1CCC(=O)O Amb28872362 [0,0,0,1,0,0|1,0,2]=4 242 B12R1.125 NC1CCCCC1CCC(=O)O Amb6739962 [0,0,0,1,0,0|1,0,2]=4 243 B12R1.125 NC1CCCCC1OCC(=O)O Amb24488516 [0,0,0,1,0,0|2,0,1]=4 244 B12R1.125 O=C(O)CCC1CCCCC1F Amb27636457 [0,0,0,1,0,0|1,0,2]=4 245 B12R1.125 O=C(O)CCC1CCCCC1O Amb27426758 [0,0,0,1,0,0|1,0,2]=4 246 B12R1.125 O=C(O)CC[C@@H]1CCCC[C@@H]1O Amb27210572 [0,0,0,1,0,0|1,0,2]=4 247 B12R1.125 O=C(O)CC[C@H]1CCCC[C@H]1O Amb27444151 [0,0,0,1,0,0|1,0,2]=4 248 B12R1.125 O=C(O)CSC1CCCCC1O Amb10808762 [0,0,0,1,0,0|2,0,1]=4 249 B12R1.130 CC(=O)\C=C\CC1CCCC1=O Amb26927565 [0,0,0,1,0,0|2,0,1]=4 250 B12R1.130 CC(=O)\C=C\CC1CCCN1C Amb33320331 [0,0,0,1,0,0|2,0,0]=3 251 B12R1.130 CC1CCCC1N\C=C\C(=O)O Amb27172585 [0,0,0,1,0,0|1,0,0]=2 252 B12R1.130 CC1COCC1N\C=C\C(=O)O Amb29878366 [0,0,0,1,0,0|2,0,0]=3 253 B12R1.130 CC1COC\C1=C/C=C/C(=O)O Amb35631883 [0,0,0,1,0,0|1,0,2]=4 254 B12R1.130 CC1CSC\C1=C/C=C/C(=O)O Amb27461594 [0,0,0,1,0,0|1,0,2]=4 255 B12R1.130 CC1OCCC1CCCC(=O)O Amb33429902 [0,0,0,1,0,0|1,0,2]=4 256 B12R1.130 CC1OCCC1S\C=C\C(=O)O Amb27840755 [0,0,0,1,0,0|2,0,0]=3 257 B12R1.130 CC1OCC\C1=C/C=C/C(=O)O Amb27426777 [0,0,0,1,0,0|1,0,2]=4 258 B12R1.130 CC1SCCC1N\C=C\C(=O)O Amb28251834 [0,0,0,1,0,0|2,0,0]=3 259 B12R1.130 CN1CCCC1CCCC(=O)O Amb33322235 [0,0,0,1,0,0|1,0,2]=4 260 B12R1.130 CN1CCCC1COCC(=O)O Amb21861056 [0,0,0,1,0,0|2,0,1]=4 261 B12R1.130 CN1CCCC1COCC(=O)O Amb32409791 [0,0,0,1,0,0|2,0,1]=4 262 B12R1.130 CN1CCCC1C\C=C\C(=O)O Amb33320769 [0,0,0,1,0,0|1,0,0]=2 263 B12R1.130 CN1CCCC1C\C=C\[N+](=O)[O-] Amb33320401 [0,0,0,1,0,0|2,0,1]=4 264 B12R1.130 CN1CCC[C@H]1COCC(=O)O Amb22224778 [0,0,0,1,0,0|2,0,1]=4 265 B12R1.130 O=C(O)\C=C\CC1CCCC1=O Amb25772855 [0,0,0,1,0,0|1,0,1]=3 266 B12R1.130 O=C(O)\C=C\CN1CCCC1=O Amb18988763 [0,0,0,1,0,0|2,0,1]=4 267 B12R1.130 O=C(O)\C=C\NC1CCCC1O Amb27266225 [0,0,0,1,0,0|2,0,0]=3 268 B12R1.141 CC1CCCCCCCC(=O)N1 Amb27616243 [0,0,0,1,0,0|1,0,2]=4 269 B12R1.210 CC(=O)NC1CCCCCC1C Amb27489458 [0,0,0,1,0,0|2,0,1]=4 270 B12R1.210 CC(=O)\C=C1/CCCCCC1C Amb35734060 [0,0,0,1,0,0|1,0,0]=2 271 B12R1.210 CC(O)\C=C1\CCCCCC1C Amb35672747 [0,0,0,1,0,0|1,0,1]=3 272 B12R1.210 CC1=C(CC(=O)O)CCCCC1 Amb27614696 [0,0,0,1,0,0|0,0,2]=3 273 B12R1.210 CC1CCCCCC1CC(=O)O Amb29865063 [0,0,0,1,0,0|0,0,2]=3 274 B12R1.210 CC1CCCCCC1NC(=O)Cl Amb35633242 [0,0,0,1,0,0|2,0,1]=4 275 B12R1.210 CC1CCCCC\C1=C/C(=O)O Amb35721698 [0,0,0,1,0,0|0,0,0]=1 276 B12R1.210 CC1CCCCC\C1=N/S(C)=O Amb35722114 [0,0,0,1,0,0|3,0,0]=4 277 B12R1.210 CC1COCCCN1CC(=O)O Amb27968934 [0,0,0,1,0,0|2,0,1]=4 278 B12R1.210 CC1NCCCCC1CC(=O)O Amb27792876 [0,0,0,1,0,0|1,0,2]=4 279 B12R1.210 CN1CCCCCC1CC(=O)O Amb28250660 [0,0,0,1,0,0|1,0,2]=4 280 B12R1.210 C[C@@H]1NCCCC[C@H]1CC(=O)O Amb18198536 [0,0,0,1,0,0|1,0,2]=4 281 B12R1.210 C[C@H]1NCCCC[C@@H]1CC(=O)O Amb27420235 [0,0,0,1,0,0|1,0,2]=4 282 B12R1.210 NC1CCCCCC1CC(=O)O Amb27178104 [0,0,0,1,0,0|1,0,2]=4 283 B12R1.210 N[C@@H]1CCCCC[C@@H]1CC(=O)O Amb27816143 [0,0,0,1,0,0|1,0,2]=4 284 B12R1.210 O=C(O)CC1CCCCCC1O Amb18198284 [0,0,0,1,0,0|1,0,2]=4 285 B12R1.210 O=C(O)\C=C1\CCCCCC1=O Amb29873240 [0,0,0,1,0,0|1,0,1]=3 286 B12R1.212 C=C(C)C1=CCCCCCC1O Amb28188251 [0,0,0,1,0,0|3,0,0]=4 287 B12R1.212 CC(=O)C1=CCCCCCC1=O Amb28066770 [0,0,0,1,0,0|2,0,1]=4 288 B12R1.212 NC1CCCCCCC1C(=O)O Amb20667806 [0,0,0,1,0,0|1,0,2]=4 289 B12R1.212 NC1CCCCCCC1C(=O)O Amb22059713 [0,0,0,1,0,0|1,0,2]=4 290 B12R1.212 N[C@@H]1CCCCCC[C@@H]1C(=O)O Amb1993853 [0,0,0,1,0,0|1,0,2]=4 291 B12R1.212 N[C@@H]1CCCCCC[C@@H]1C(=O)O Amb1994005 [0,0,0,1,0,0|1,0,2]=4 292 B12R1.212 N[C@H]1CCCCCC[C@H]1C(=O)O Amb1993854 [0,0,0,1,0,0|1,0,2]=4 293 B12R1.215 O=C1C=CCCC=CCCCC1 Amb28198631 [0,0,0,1,0,0|1,0,2]=4 294 B12R1.215 O=C1CCCCCCCCCC1 Amb2778534 [0,0,0,1,0,0|1,0,2]=4 295 B12R1.215 O=C1CCCCCCCCCN1 Amb26068652 [0,0,0,1,0,0|1,0,2]=4 296 B12R1.252 CC(=O)CCCC1CCCCC1 Amb33359306 [0,0,0,1,0,0|1,0,2]=4 297 B12R1.252 CC(=O)\C=C\CC1CCCCC1 Amb32953373 [0,0,0,1,0,0|1,0,0]=2 298 B12R1.252 CC(=O)\C=C\CN1CCOCC1 Amb26413357 [0,0,0,1,0,0|3,0,0]=4 299 B12R1.252 CC(=O)\C=N\NC1CCCCC1 Amb27444785 [0,0,0,1,0,0|3,0,0]=4 300 B12R1.252 CC(C)=CCCC1CCCCC1 Amb35582921 [0,0,0,1,0,0|2,0,1]=4 301 B12R1.252 CC(C)=C\C=C/C1CCCCC1 Amb22546613 [0,0,0,1,0,0|2,0,1]=4 302 B12R1.252 CC(N)\C=C\CC1CCCCC1 Amb33422123 [0,0,0,1,0,0|2,0,1]=4 303 B12R1.252 CS(=O)\N=C\CC1CCCCC1 Amb35693165 [0,0,0,1,0,0|3,0,0]=4 304 B12R1.252 NC(=O)CNCC1CCCCC1 Amb1113547 [0,0,0,1,0,0|2,0,1]=4 305 B12R1.252 NC(=O)NOCC1CCCCC1 Amb28193569 [0,0,0,1,0,0|3,0,0]=4 306 B12R1.252 O=C(Cl)NCCC1CCCCC1 Amb35625747 [0,0,0,1,0,0|2,0,1]=4 307 B12R1.252 O=C(Cl)OCCC1CCCCC1 Amb33297326 [0,0,0,1,0,0|2,0,1]=4 308 B12R1.252 O=C(Cl)\C=C\CN1CCCCC1 Amb25999147 [0,0,0,1,0,0|2,0,0]=3 309 B12R1.252 O=C(O)C#CCC1CCCCC1 Amb27170004 [0,0,0,1,0,0|0,0,2]=3 310 B12R1.252 O=C(O)C#CCN1CCCCC1 Amb27974141 [0,0,0,1,0,0|1,0,2]=4 311 B12R1.252 O=C(O)CC#CC1CCCCC1 Amb26861627 [0,0,0,1,0,0|0,0,3]=4 312 B12R1.252 O=C(O)CCCC1CCCCC1 Amb4007236 [0,0,0,1,0,0|0,0,2]=3 313 B12R1.252 O=C(O)CCCC1CCCCN1 Amb1101084 [0,0,0,1,0,0|1,0,2]=4 314 B12R1.252 O=C(O)CCCC1CCCCN1 Amb22284114 [0,0,0,1,0,0|1,0,2]=4 315 B12R1.252 O=C(O)CCCC1CCCCO1 Amb33377395 [0,0,0,1,0,0|1,0,2]=4 316 B12R1.252 O=C(O)CCCC1CCCOC1 Amb33358265 [0,0,0,1,0,0|1,0,2]=4 317 B12R1.252 O=C(O)CCCC1CCCSC1 Amb33079061 [0,0,0,1,0,0|1,0,2]=4 318 B12R1.252 O=C(O)CCCC1CCNCC1 Amb1101085 [0,0,0,1,0,0|1,0,2]=4 319 B12R1.252 O=C(O)CCCC1CCNCC1 Amb2720095 [0,0,0,1,0,0|1,0,2]=4 320 B12R1.252 O=C(O)CCCC1CCOCC1 Amb28555790 [0,0,0,1,0,0|1,0,2]=4 321 B12R1.252 O=C(O)CCCN1CCCCC1 Amb5718374 [0,0,0,1,0,0|1,0,2]=4 322 B12R1.252 O=C(O)CCCN1CCCCC1 Amb5762298 [0,0,0,1,0,0|1,0,2]=4 323 B12R1.252 O=C(O)CCNC1CCCCC1 Amb33484265 [0,0,0,1,0,0|1,0,2]=4 324 B12R1.252 O=C(O)CCNC1CCCCC1 Amb3940614 [0,0,0,1,0,0|1,0,2]=4 325 B12R1.252 O=C(O)CCSC1CCCCC1 Amb3318888 [0,0,0,1,0,0|1,0,2]=4 326 B12R1.252 O=C(O)COCC1CCCCC1 Amb19032022 [0,0,0,1,0,0|1,0,1]=3 327 B12R1.252 O=C(O)COCC1CCCCO1 Amb9716871 [0,0,0,1,0,0|2,0,1]=4 328 B12R1.252 O=C(O)COCC1CCCNC1 Amb33038178 [0,0,0,1,0,0|2,0,1]=4 329 B12R1.252 O=C(O)COCC1CCCNC1 Amb33329459 [0,0,0,1,0,0|2,0,1]=4 330 B12R1.252 O=C(O)COCC1CCNCC1 Amb35751378 [0,0,0,1,0,0|2,0,1]=4 331 B12R1.252 O=C(O)COCC1CCNCC1 Amb35752582 [0,0,0,1,0,0|2,0,1]=4 332 B12R1.252 O=C(O)COCC1CCOCC1 Amb18312456 [0,0,0,1,0,0|2,0,1]=4 333 B12R1.252 O=C(O)CSCC1CCCCO1 Amb9008344 [0,0,0,1,0,0|2,0,1]=4 334 B12R1.252 O=C(O)C\C=C\C1CCCCC1 Amb26861470 [0,0,0,1,0,0|0,0,2]=3 335 B12R1.252 O=C(O)C\C=C\C1CCOCC1 Amb26883733 [0,0,0,1,0,0|1,0,2]=4 336 B12R1.252 O=C(O)\C=C\CC1CCCCC1 Amb26527903 [0,0,0,1,0,0|0,0,0]=1 337 B12R1.252 O=C(O)\C=C\CC1OCCCO1 Amb25937883 [0,0,0,1,0,0|2,0,0]=3 338 B12R1.252 O=C(O)\C=C\CN1CCCCC1 Amb18988789 [0,0,0,1,0,0|1,0,0]=2 339 B12R1.252 O=C(O)\C=C\CN1CCCCC1 Amb30634362 [0,0,0,1,0,0|1,0,0]=2 340 B12R1.252 O=C(O)\C=C\CN1CCOCC1 Amb18296130 [0,0,0,1,0,0|2,0,0]=3 341 B12R1.252 O=C(O)\C=C\CN1CCOCC1 Amb33495166 [0,0,0,1,0,0|2,0,0]=3 342 B12R1.252 O=C(O)\C=C\CN1CCSCC1 Amb18296451 [0,0,0,1,0,0|2,0,0]=3 343 B12R1.252 O=C(O)\C=C\NC1CCCSC1 Amb27587576 [0,0,0,1,0,0|2,0,0]=3 344 B12R1.252 O=C(O)\C=C\NC1CCSCC1 Amb27601144 [0,0,0,1,0,0|2,0,0]=3 345 B12R1.252 O=C([O-])CCCC1CCCCC1 Amb8516780 [0,0,0,1,0,0|0,0,3]=4 346 B12R1.252 O=[N+]([O-])\C=C\CC1CCCCC1 Amb33422419 [0,0,0,1,0,0|1,0,1]=3 347 B12R1.255 CC(=O)CCCCC1CCCC1 Amb33448571 [0,0,0,1,0,0|1,0,2]=4 348 B12R1.255 CC(=O)\C=C\C=C\C1CCCC1 Amb27201338 [0,0,0,1,0,0|1,0,2]=4 349 B12R1.255 CC(=O)\C=C\CCC1CCCC1 Amb33379446 [0,0,0,1,0,0|1,0,0]=2 350 B12R1.255 CC(=O)\C=C\CCN1CCCC1 Amb33274871 [0,0,0,1,0,0|2,0,0]=3 351 B12R1.255 CC(N)\C=C\CCC1CCCC1 Amb33379959 [0,0,0,1,0,0|2,0,1]=4 352 B12R1.255 O=C(O)C#CCCC1CCCO1 Amb28322969 [0,0,0,1,0,0|1,0,2]=4 353 B12R1.255 O=C(O)C#CCCC1CCOC1 Amb27960018 [0,0,0,1,0,0|1,0,2]=4 354 B12R1.255 O=C(O)CCCCC1CCCC1 Amb33229242 [0,0,0,1,0,0|0,0,2]=3 355 B12R1.255 O=C(O)CCCCC1CCOC1 Amb33229236 [0,0,0,1,0,0|1,0,2]=4 356 B12R1.255 O=C(O)CCCCN1CCCC1 Amb33552798 [0,0,0,1,0,0|1,0,2]=4 357 B12R1.255 O=C(O)CCCCN1CCCC1 Amb7783148 [0,0,0,1,0,0|1,0,2]=4 358 B12R1.255 O=C(O)CNCCN1CCCC1 Amb9325920 [0,0,0,1,0,0|2,0,1]=4 359 B12R1.255 O=C(O)COCCC1CCCC1 Amb32954482 [0,0,0,1,0,0|1,0,1]=3 360 B12R1.255 O=C(O)COCCN1CCCC1 Amb33474001 [0,0,0,1,0,0|2,0,1]=4 361 B12R1.255 O=C(O)CSCCN1CCCC1 Amb13949167 [0,0,0,1,0,0|2,0,1]=4 362 B12R1.255 O=C(O)CSCCN1CCCC1 Amb6745649 [0,0,0,1,0,0|2,0,1]=4 363 B12R1.255 O=C(O)\C=C\C=C\C1CCCC1 Amb28127009 [0,0,0,1,0,0|0,0,2]=3 364 B12R1.255 O=C(O)\C=C\C=C\C1CCSC1 Amb28064253 [0,0,0,1,0,0|1,0,2]=4 365 B12R1.255 O=C(O)\C=C\CCC1CCCC1 Amb33374577 [0,0,0,1,0,0|0,0,0]=1 366 B12R1.255 O=C(O)\C=C\CCN1CCCC1 Amb33275245 [0,0,0,1,0,0|1,0,0]=2 367 B12R1.255 O=C(O)\C=C\NCC1CCSC1 Amb28321166 [0,0,0,1,0,0|2,0,0]=3 368 B12R1.255 O=C(O)\C=C\NCC1SCCS1 Amb35658878 [0,0,0,1,0,0|3,0,0]=4 369 B12R1.255 O=[N+]([O-])\C=C\CCC1CCCC1 Amb33481467 [0,0,0,1,0,0|1,0,1]=3 370 B12R1.255 O=[N+]([O-])\C=C\CCN1CCCC1 Amb33275166 [0,0,0,1,0,0|2,0,1]=4 371 B12R1.283 CCCC1=C(C(C)=O)CCCC1 Amb27614636 [0,0,0,1,0,0|1,0,2]=4 372 B12R1.283 CCCC1CCCCC1C(C)=O Amb27762565 [0,0,0,1,0,0|1,0,2]=4 373 B12R1.283 CCCC1CCCNC1C(=O)O Amb27178215 [0,0,0,1,0,0|1,0,1]=3 374 B12R1.283 CCCC1OCCCC1C(=O)O Amb10609660 [0,0,0,1,0,0|1,0,2]=4 375 B12R1.283 CCCN1CCCCC1C(=O)O Amb1110568 [0,0,0,1,0,0|1,0,2]=4 376 B12R1.283 CCCN1CCCCC1C(=O)O Amb33552437 [0,0,0,1,0,0|1,0,2]=4 377 B12R1.289 CCCC1COC\C1=C/C(=O)O Amb35631892 [0,0,0,1,0,0|1,0,0]=2 378 B12R1.289 CCCC1COC\C1=C/C(C)=O Amb35616357 [0,0,0,1,0,0|2,0,0]=3 379 B12R1.289 CCCC1COC\C1=C/C(C)O Amb35608161 [0,0,0,1,0,0|2,0,1]=4 380 B12R1.289 COCC1CCCN1CC(=O)O Amb21860507 [0,0,0,1,0,0|2,0,1]=4 381 B12R1.321 CCCCC1CCCCC(=O)N1 Amb4011804 [0,0,0,1,0,0|1,0,2]=4 382 B12R1.321 CCCCC1CCCCC(=O)O1 Amb22230135 [0,0,0,1,0,0|0,0,2]=3 383 B12R1.321 O=C1CCCCC(CCCCl)O1 Amb27974145 [0,0,0,1,0,0|1,0,2]=4 384 B12R1.321 O=C1CCCCC(CCCO)O1 Amb27206114 [0,0,0,1,0,0|1,0,2]=4 385 B12R1.386 CCCCc1oncc1C(=O)O Amb33474309 [0,0,0,1,0,0|2,0,1]=4 386 B12R1.386 CCCCc1sccc1C(=O)O Amb24309094 [0,0,0,1,0,0|1,0,2]=4 387 B12R1.386 CCCCn1cncc1C(=O)O Amb9776282 [0,0,0,1,0,0|2,0,1]=4 388 B12R1.386 CCCCn1nccc1C(=O)O Amb6888963 [0,0,0,1,0,0|2,0,1]=4 389 B12R1.386 CCCCn1nncc1C(=O)O Amb17534973 [0,0,0,1,0,0|3,0,0]=4 390 B12R1.390 O=C(O)CCCCOCC1CC1 Amb9207802 [0,0,0,1,0,0|1,0,2]=4 391 B12R1.390 O=C(O)CNCCCCC1CC1 Amb32675856 [0,0,0,1,0,0|1,0,1]=3 392 B12R1.405 CC[C@@H]1NCCCC[C@H]1C(=O)O Amb18198539 [0,0,0,1,0,0|1,0,2]=4 393 B12R1.405 CC[C@H]1NCCCC[C@@H]1C(=O)O Amb28247202 [0,0,0,1,0,0|1,0,2]=4 394 B12R1.405 CO[C@H]1CCCCC[C@H]1C(=O)O Amb27489023 [0,0,0,1,0,0|1,0,2]=4 395 B12R1.405 CSC1CCCCCC1C(=O)O Amb18967402 [0,0,0,1,0,0|1,0,2]=4 396 B12R1.405 O=C(O)C1=C(CO)CCCCC1 Amb27955255 [0,0,0,1,0,0|1,0,2]=4 397 B12R1.1335 CC(=O)N1CCCCCCCC1 Amb25169087 [0,0,0,1,0,0|2,0,1]=4 398 B12R1.1335 O=C(Cl)N1CCCCCCCC1 Amb27802970 [0,0,0,1,0,0|2,0,1]=4 399 B12R1.1335 O=C(O)C1=CCCCCCCC1 Amb28325718 [0,0,0,1,0,0|0,0,0]=1 400 B12R1.1335 O=C(O)C1CCCCCCCN1 Amb27171757 [0,0,0,1,0,0|1,0,1]=3 401 B12R1.1343 CC(=O)CCC1CCCCCC1 Amb27468725 [0,0,0,1,0,0|1,0,2]=4 402 B12R1.1343 CC(=O)NCC1CCCCCC1 Amb27208386 [0,0,0,1,0,0|2,0,1]=4 403 B12R1.1343 CC(=O)\C=C\C1CCCCCC1 Amb27968526 [0,0,0,1,0,0|1,0,0]=2 404 B12R1.1343 CC(=O)\C=C\N1CCCCCC1 Amb22524689 [0,0,0,1,0,0|2,0,0]=3 405 B12R1.1343 CC(Br)\C=C\C1CCCCCC1 Amb27416894 [0,0,0,1,0,0|2,0,1]=4 406 B12R1.1343 CC(N)\C=C\C1CCCCCC1 Amb32954310 [0,0,0,1,0,0|2,0,1]=4 407 B12R1.1343 CS(=O)\N=C\C1CCCCCC1 Amb35693177 [0,0,0,1,0,0|3,0,0]=4 408 B12R1.1343 NC(=O)CNC1CCCCCC1 Amb1114001 [0,0,0,1,0,0|2,0,1]=4 409 B12R1.1343 O=C(Cl)NCC1CCCCCC1 Amb35625593 [0,0,0,1,0,0|2,0,1]=4 410 B12R1.1343 O=C(O)C#CC1CCCCCC1 Amb24556561 [0,0,0,1,0,0|0,0,2]=3 411 B12R1.1343 O=C(O)C#CC1CCCCCN1 Amb33168987 [0,0,0,1,0,0|1,0,2]=4 412 B12R1.1343 O=C(O)CCC1CCCCCC1 Amb18825578 [0,0,0,1,0,0|0,0,2]=3 413 B12R1.1343 O=C(O)CCC1CCCCCN1 Amb18198528 [0,0,0,1,0,0|1,0,2]=4 414 B12R1.1343 O=C(O)CCC1CCCNCC1 Amb18198557 [0,0,0,1,0,0|1,0,2]=4 415 B12R1.1343 O=C(O)CCC1CCCOCC1 Amb18825358 [0,0,0,1,0,0|1,0,2]=4 416 B12R1.1343 O=C(O)CCC1CCCSCC1 Amb18820668 [0,0,0,1,0,0|1,0,2]=4 417 B12R1.1343 O=C(O)CCN1CCCCCC1 Amb2721891 [0,0,0,1,0,0|1,0,2]=4 418 B12R1.1343 O=C(O)CCN1CCCCCC1 Amb33552757 [0,0,0,1,0,0|1,0,2]=4 419 B12R1.1343 O=C(O)CNC1CCCCCC1 Amb8428138 [0,0,0,1,0,0|1,0,1]=3 420 B12R1.1343 O=C(O)CNC1CCCNCC1 Amb27449632 [0,0,0,1,0,0|2,0,1]=4 421 B12R1.1343 O=C(O)CNC1CCCSCC1 Amb35700457 [0,0,0,1,0,0|2,0,1]=4 422 B12R1.1343 O=C(O)COC1CCCCCC1 Amb18972071 [0,0,0,1,0,0|1,0,1]=3 423 B12R1.1343 O=C(O)\C=C\C1=CCCCCC1 Amb28052137 [0,0,0,1,0,0|0,0,2]=3 424 B12R1.1343 O=C(O)\C=C\C1CCCCCC1 Amb24715822 [0,0,0,1,0,0|0,0,0]=1 425 B12R1.1343 O=C(O)\C=C\N1CCCCCC1 Amb27272954 [0,0,0,1,0,0|1,0,0]=2 426 B12R1.1343 O=C(O)\C=C\N1CCCSCC1 Amb27190912 [0,0,0,1,0,0|2,0,0]=3 427 B12R1.1343 O=[N+]([O-])\C=C\C1CCCCCC1 Amb33449464 [0,0,0,1,0,0|1,0,1]=3 428 B12R1.1392 CC(=O)C=C1CCCCCCC1 Amb28253982 [0,0,0,1,0,0|1,0,0]=2 429 B12R1.1392 CC(=O)NC1CCCCCCC1 Amb5797421 [0,0,0,1,0,0|2,0,1]=4 430 B12R1.1392 CC(=O)OC1=CCCCCCC1 Amb3994643 [0,0,0,1,0,0|2,0,1]=4 431 B12R1.1392 CC(=O)OC1CCCCCCC1 Amb4016350 [0,0,0,1,0,0|2,0,1]=4 432 B12R1.1392 CS(=O)N=C1CCCCCCC1 Amb35681706 [0,0,0,1,0,0|3,0,0]=4 433 B12R1.1392 O=C(Cl)NC1CCCCCCC1 Amb35637075 [0,0,0,1,0,0|2,0,1]=4 434 B12R1.1392 O=C(Cl)OC1CCCCCCC1 Amb27480779 [0,0,0,1,0,0|2,0,1]=4 435 B12R1.1392 O=C(O)C=C1CCCCCCC1 Amb6749166 [0,0,0,1,0,0|0,0,0]=1 436 B12R1.1392 O=C(O)CC1CCCCCCC1 Amb6749259 [0,0,0,1,0,0|0,0,2]=3 437 B12R1.1392 O=C(O)CC1CCCCCCO1 Amb27634953 [0,0,0,1,0,0|1,0,2]=4 438 B12R1.1392 O=C(O)CN1CCCCCCC1 Amb6613276 [0,0,0,1,0,0|1,0,1]=3 439 B12R1.1392 O=C(O)C[C@H]1CCCCCCN1 Amb27985858 [0,0,0,1,0,0|1,0,2]=4 440 B12R1.1755 CCCCCC[C@@H]1C[C@H]1C(=O)O Amb33098453 [0,0,0,1,0,0|0,0,2]=3 441 B12R1.1755 CCCCCC[C@H]1C[C@H]1C(=O)O Amb33098421 [0,0,0,1,0,0|0,0,2]=3 442 B9R0.2 C#CCCCCCC(=O)O Amb22232010 [2,0,0,0,0,0|0,0,2]=4 443 B9R0.2 C=C(C)CCCCCCC Amb6298940 [2,0,0,0,0,0|2,0,0]=4 444 B9R0.2 C=CCCCCCC(=O)O Amb6299579 [2,0,0,0,0,0|0,0,2]=4 445 B9R0.2 CC(=O)CCCCCCN Amb25147578 [2,0,0,0,0,0|2,0,0]=4 446 B9R0.2 CC(=O)CCCCCCN Amb32663700 [2,0,0,0,0,0|2,0,0]=4 447 B9R0.2 CC(=O)\C=C\CCCCBr Amb24477141 [2,0,0,0,0,0|2,0,0]=4 448 B9R0.2 CC(=O)\C=C\CCCCCl Amb27599396 [2,0,0,0,0,0|2,0,0]=4 449 B9R0.2 CC(=O)\C=C\CCCCO Amb24518640 [2,0,0,0,0,0|2,0,0]=4 450 B9R0.2 CCC#CCCCC(=O)O Amb27628844 [2,0,0,0,0,0|0,0,2]=4 451 B9R0.2 CCCC#CCCC(=O)O Amb27663886 [2,0,0,0,0,0|0,0,2]=4 452 B9R0.2 CCCC#C\C=C/C(=O)O Amb27435469 [2,0,0,0,0,0|0,0,2]=4 453 B9R0.2 CCCC#C\C=C\C(=O)O Amb27202812 [2,0,0,0,0,0|0,0,2]=4 454 B9R0.2 CCCCC#CCC(=O)O Amb26327934 [2,0,0,0,0,0|0,0,2]=4 455 B9R0.2 CCCCC=C=CC(=O)O Amb17593544 [2,0,0,0,0,0|0,0,2]=4 456 B9R0.2 CCCCCC#CC(=O)O Amb2778506 [2,0,0,0,0,0|0,0,2]=4 457 B9R0.2 CCCCCCCB(O)O Amb13890611 [2,0,0,0,0,0|1,0,1]=4 458 B9R0.2 CCCCCCCC(=O)Cl Amb3940245 [2,0,0,0,0,0|1,0,0]=3 459 B9R0.2 CCCCCCCC(=O)O Amb3940371 [2,0,0,0,0,0|0,0,0]=2 460 B9R0.2 CCCCCCCC(=O)S Amb10561702 [2,0,0,0,0,0|0,1,0]=3 461 B9R0.2 CCCCCCCC(=O)[O-] Amb33756883 [2,0,0,0,0,0|0,0,1]=3 462 B9R0.2 CCCCCCCC(=O)[O-] Amb8515835 [2,0,0,0,0,0|0,0,1]=3 463 B9R0.2 CCCCCCCC(C)=O Amb6891951 [2,0,0,0,0,0|1,0,0]=3 464 B9R0.2 CCCCCCCC(N)=O Amb8999028 [2,0,0,0,0,0|1,0,0]=3 465 B9R0.2 CCCCCCCP(O)O Amb28042243 [2,0,0,0,0,0|1,0,1]=4 466 B9R0.2 CCCCCCCS(=O)Cl Amb32720351 [2,0,0,0,0,0|2,0,0]=4 467 B9R0.2 CCCCCCCS(=O)[O-] Amb32754186 [2,0,0,0,0,0|1,0,1]=4 468 B9R0.2 CCCCCCCS(N)=O Amb32720352 [2,0,0,0,0,0|2,0,0]=4 469 B9R0.2 CCCCCCC[C@@H](C)O Amb22362646 [2,0,0,0,0,0|1,0,1]=4 470 B9R0.2 CCCCCCC[C@H](C)O Amb22362633 [2,0,0,0,0,0|1,0,1]=4 471 B9R0.2 CCCCCCC[N+](=O)[O-] Amb17672611 [2,0,0,0,0,0|1,0,1]=4 472 B9R0.2 CCCCCCNC(C)=O Amb3368460 [2,0,0,0,0,0|2,0,0]=4 473 B9R0.2 CCCCCCNC(N)=O Amb23569596 [2,0,0,0,0,0|2,0,0]=4 474 B9R0.2 CCCCCCOC(=O)Cl Amb10070637 [2,0,0,0,0,0|2,0,0]=4 475 B9R0.2 CCCCCCOC(C)=O Amb8513414 [2,0,0,0,0,0|2,0,0]=4 476 B9R0.2 CCCCCCOC(N)=O Amb22495526 [2,0,0,0,0,0|2,0,0]=4 477 B9R0.2 CCCCCCSC(=O)Cl Amb28421765 [2,0,0,0,0,0|2,0,0]=4 478 B9R0.2 CCCCCCSC(C)=O Amb27837874 [2,0,0,0,0,0|2,0,0]=4 479 B9R0.2 CCCCCC\C=C(\C)I Amb28464058 [2,0,0,0,0,0|2,0,0]=4 480 B9R0.2 CCCCCNCC(N)=O Amb6708061 [2,0,0,0,0,0|2,0,0]=4 481 B9R0.2 CCCCCOCC(=O)O Amb8902706 [2,0,0,0,0,0|1,0,0]=3 482 B9R0.2 CCCCCSCC(=O)O Amb6249571 [2,0,0,0,0,0|1,0,0]=3 483 B9R0.2 CCCCC\C=C\B(O)O Amb10068584 [2,0,0,0,0,0|1,0,1]=4 484 B9R0.2 CCCCC\C=C\C(C)O Amb27472596 [2,0,0,0,0,0|1,0,1]=4 485 B9R0.2 CCCCC\C=C\[C@H](C)O Amb27852185 [2,0,0,0,0,0|1,0,1]=4 486 B9R0.2 CCCCNCCC(=O)O Amb7755713 [2,0,0,0,0,0|1,0,0]=3 487 B9R0.2 CCCCNCCC(C)=O Amb26381876 [2,0,0,0,0,0|2,0,0]=4 488 B9R0.2 CCCCNCCC(N)=O Amb8841106 [2,0,0,0,0,0|2,0,0]=4 489 B9R0.2 CCCCN\C=C\C(C)=O Amb25147404 [2,0,0,0,0,0|2,0,0]=4 490 B9R0.2 CCCCOCCC(N)=O Amb27480748 [2,0,0,0,0,0|2,0,0]=4 491 B9R0.2 CCCCO\C=C\C(=O)Cl Amb27804268 [2,0,0,0,0,0|2,0,0]=4 492 B9R0.2 CCCCSCCC(=O)O Amb1032992 [2,0,0,0,0,0|1,0,0]=3 493 B9R0.2 CCCCS\C=C/C(C)=O Amb27945160 [2,0,0,0,0,0|2,0,0]=4 494 B9R0.2 CCCCS\C=C\C(C)=O Amb26410917 [2,0,0,0,0,0|2,0,0]=4 495 B9R0.2 CCCC\C=C\CC(=O)O Amb6297257 [2,0,0,0,0,0|0,0,2]=4 496 B9R0.2 CCCNCCCC(=O)O Amb1109953 [2,0,0,0,0,0|1,0,0]=3 497 B9R0.2 CCCOCCCC(=O)O Amb8874517 [2,0,0,0,0,0|1,0,0]=3 498 B9R0.2 CCCONCCC(=O)O Amb27233908 [2,0,0,0,0,0|2,0,0]=4 499 B9R0.2 CCCSCCCC(=O)O Amb6680215 [2,0,0,0,0,0|1,0,0]=3 500 B9R0.2 CCCSCCCC(C)=O Amb9660304 [2,0,0,0,0,0|2,0,0]=4 501 B9R0.2 CCC\C=C/CCC(=O)O Amb26566880 [2,0,0,0,0,0|0,0,2]=4 502 B9R0.2 CCC\C=C\C=C\C(=O)O Amb32953792 [2,0,0,0,0,0|0,0,2]=4 503 B9R0.2 CCC\C=C\CCC(=O)O Amb25378821 [2,0,0,0,0,0|0,0,2]=4 504 B9R0.2 CCNCCCCC(=O)O Amb24385094 [2,0,0,0,0,0|1,0,0]=3 505 B9R0.2 CCNCCCCC(=O)O Amb32686610 [2,0,0,0,0,0|1,0,0]=3 506 B9R0.2 CCNCCCCC(C)=O Amb27951143 [2,0,0,0,0,0|2,0,0]=4 507 B9R0.2 CCNCCCCC(N)=O Amb27964384 [2,0,0,0,0,0|2,0,0]=4 508 B9R0.2 CCOCCCCC(=O)O Amb9207786 [2,0,0,0,0,0|1,0,0]=3 509 B9R0.2 CCOCCCCC(C)=O Amb9659807 [2,0,0,0,0,0|2,0,0]=4 510 B9R0.2 CCOCCOCC(=O)O Amb6258165 [2,0,0,0,0,0|2,0,0]=4 511 B9R0.2 CCOCSCCC(=O)O Amb27447358 [2,0,0,0,0,0|2,0,0]=4 512 B9R0.2 CCONCCCC(=O)O Amb27839067 [2,0,0,0,0,0|2,0,0]=4 513 B9R0.2 CCSCCCCC(=O)O Amb7782874 [2,0,0,0,0,0|1,0,0]=3 514 B9R0.2 CCSCCSCC(=O)O Amb28126747 [2,0,0,0,0,0|2,0,0]=4 515 B9R0.2 CNCCCCCC(C)=O Amb25728176 [2,0,0,0,0,0|2,0,0]=4 516 B9R0.2 CNCCCCCC(N)=O Amb27625362 [2,0,0,0,0,0|2,0,0]=4 517 B9R0.2 CNCCOCCC(=O)O Amb18111840 [2,0,0,0,0,0|2,0,0]=4 518 B9R0.2 CNCCSCCC(=O)O Amb27442544 [2,0,0,0,0,0|2,0,0]=4 519 B9R0.2 CNCCS\C=C\C(=O)O Amb27471288 [2,0,0,0,0,0|2,0,0]=4 520 B9R0.2 COCCCCCC(=O)O Amb10607872 [2,0,0,0,0,0|1,0,0]=3 521 B9R0.2 COCCCCCC(C)=O Amb27227265 [2,0,0,0,0,0|2,0,0]=4 522 B9R0.2 COCCCOCC(=O)O Amb25304314 [2,0,0,0,0,0|2,0,0]=4 523 B9R0.2 COCCNCCC(=O)O Amb33527038 [2,0,0,0,0,0|2,0,0]=4 524 B9R0.2 COCCNCCC(=O)O Amb7755691 [2,0,0,0,0,0|2,0,0]=4 525 B9R0.2 COCCOCCC(=O)O Amb6268336 [2,0,0,0,0,0|2,0,0]=4 526 B9R0.2 COCCS\C=C\C(=O)O Amb28398936 [2,0,0,0,0,0|2,0,0]=4 527 B9R0.2 CSCCCCCC(=O)O Amb27444761 [2,0,0,0,0,0|1,0,0]=3 528 B9R0.2 CSCCCNCC(=O)O Amb8827601 [2,0,0,0,0,0|2,0,0]=4 529 B9R0.2 CSCCCOCC(=O)O Amb28042679 [2,0,0,0,0,0|2,0,0]=4 530 B9R0.2 CSCCNCCC(=O)O Amb25055507 [2,0,0,0,0,0|2,0,0]=4 531 B9R0.2 CSCCN\C=C\C(=O)O Amb27864234 [2,0,0,0,0,0|2,0,0]=4 532 B9R0.2 C[NH2+]CCCCCC(=O)O Amb9791271 [2,0,0,0,0,0|1,0,0]=3 533 B9R0.2 C\C=C\CCCCC(=O)O Amb18643887 [2,0,0,0,0,0|0,0,2]=4 534 B9R0.2 N#CCCCCCC(=O)O Amb18643705 [2,0,0,0,0,0|1,0,1]=4 535 B9R0.2 NC(=O)CCCCCCBr Amb27654995 [2,0,0,0,0,0|2,0,0]=4 536 B9R0.2 NC(=O)CCCCCCCl Amb27254212 [2,0,0,0,0,0|2,0,0]=4 537 B9R0.2 NCCCCCCC(=O)O Amb1151254 [2,0,0,0,0,0|1,0,0]=3 538 B9R0.2 NCCCCCCC(=O)O Amb16232099 [2,0,0,0,0,0|1,0,0]=3 539 B9R0.2 NCCCCCCC(=O)[O-] Amb32663972 [2,0,0,0,0,0|1,0,1]=4 540 B9R0.2 NCCCCNCC(=O)O Amb27800960 [2,0,0,0,0,0|2,0,0]=4 541 B9R0.2 NCCCCSCC(=O)O Amb17500919 [2,0,0,0,0,0|2,0,0]=4 542 B9R0.2 NCCCNCCC(=O)O Amb27959846 [2,0,0,0,0,0|2,0,0]=4 543 B9R0.2 NCCCOCCC(=O)O Amb18111494 [2,0,0,0,0,0|2,0,0]=4 544 B9R0.2 NCCCSCCC(=O)O Amb24496605 [2,0,0,0,0,0|2,0,0]=4 545 B9R0.2 NCCCS\C=C\C(=O)O Amb27837837 [2,0,0,0,0,0|2,0,0]=4 546 B9R0.2 NCCOCCCC(=O)O Amb18111467 [2,0,0,0,0,0|2,0,0]=4 547 B9R0.2 NCCSCCCC(=O)O Amb17500468 [2,0,0,0,0,0|2,0,0]=4 548 B9R0.2 NOCCCCCC(=O)O Amb32708458 [2,0,0,0,0,0|2,0,0]=4 549 B9R0.2 O=C(Cl)\C=C\CCCCCl Amb25074569 [2,0,0,0,0,0|2,0,0]=4 550 B9R0.2 O=C(O)CCCCCCBr Amb10071514 [2,0,0,0,0,0|1,0,0]=3 551 B9R0.2 O=C(O)CCCCCCCl Amb17594087 [2,0,0,0,0,0|1,0,0]=3 552 B9R0.2 O=C(O)CCCCCCF Amb25132501 [2,0,0,0,0,0|1,0,0]=3 553 B9R0.2 O=C(O)CCCCCCO Amb9787028 [2,0,0,0,0,0|1,0,0]=3 554 B9R0.2 O=C(O)CCCCCCS Amb24710334 [2,0,0,0,0,0|1,0,0]=3 555 B9R0.2 O=C(O)CCCCCNBr Amb28054088 [2,0,0,0,0,0|2,0,0]=4 556 B9R0.2 O=C(O)CCCNCCO Amb9333522 [2,0,0,0,0,0|2,0,0]=4 557 B9R0.2 O=C(O)CCCOCCO Amb6680919 [2,0,0,0,0,0|2,0,0]=4 558 B9R0.2 O=C(O)CCCSCCF Amb27614997 [2,0,0,0,0,0|2,0,0]=4 559 B9R0.2 O=C(O)CCCSCCO Amb9481728 [2,0,0,0,0,0|2,0,0]=4 560 B9R0.2 O=C(O)CCNCCCF Amb28049536 [2,0,0,0,0,0|2,0,0]=4 561 B9R0.2 O=C(O)CCNCCCO Amb9239888 [2,0,0,0,0,0|2,0,0]=4 562 B9R0.2 O=C(O)CCOCCCO Amb24476864 [2,0,0,0,0,0|2,0,0]=4 563 B9R0.2 O=C(O)CCSCCCCl Amb26421708 [2,0,0,0,0,0|2,0,0]=4 564 B9R0.2 O=C(O)CCSCCCF Amb27251653 [2,0,0,0,0,0|2,0,0]=4 565 B9R0.2 O=C(O)CNCCCCO Amb28063278 [2,0,0,0,0,0|2,0,0]=4 566 B9R0.2 O=C(O)COCCCCF Amb27770553 [2,0,0,0,0,0|2,0,0]=4 567 B9R0.2 O=C(O)COCCCCO Amb27465121 [2,0,0,0,0,0|2,0,0]=4 568 B9R0.2 O=C(O)CSCCCCCl Amb27165750 [2,0,0,0,0,0|2,0,0]=4 569 B9R0.2 O=C(O)CSCCCCF Amb28062594 [2,0,0,0,0,0|2,0,0]=4 570 B9R0.2 O=C(O)\C=C\CCCCCl Amb18645743 [2,0,0,0,0,0|1,0,0]=3 571 B9R0.2 O=C(O)\C=C\CSCCO Amb27205770 [2,0,0,0,0,0|2,0,0]=4 572 B9R0.2 O=CCCCCCC(=O)O Amb26548890 [2,0,0,0,0,0|1,0,1]=4 573 B9R0.45 C=C=CCCCCCCN Amb28188554 [2,0,0,0,0,0|1,0,1]=4 574 B9R0.45 C=C=CCCCCCCO Amb28050724 [2,0,0,0,0,0|1,0,1]=4 575 B9R0.45 C=CCCCCCCCBr Amb19895211 [2,0,0,0,0,0|1,0,1]=4 576 B9R0.45 C=CCCCCCCCC Amb3940503 [2,0,0,0,0,0|0,0,1]=3 577 B9R0.45 C=CCCCCCCCCl Amb6298880 [2,0,0,0,0,0|1,0,1]=4 578 B9R0.45 C=CCCCCCCCN Amb24763980 [2,0,0,0,0,0|1,0,1]=4 579 B9R0.45 C=CCCCCCCCN Amb32653343 [2,0,0,0,0,0|1,0,1]=4 580 B9R0.45 C=CCCCCCCCO Amb22733549 [2,0,0,0,0,0|1,0,1]=4 581 B9R0.45 C=CCCCCCCNC Amb28120535 [2,0,0,0,0,0|1,0,1]=4 582 B9R0.45 C=CCCCCCSCC Amb27396740 [2,0,0,0,0,0|1,0,1]=4 583 B9R0.45 C=CCCCCNCCC Amb26576689 [2,0,0,0,0,0|1,0,1]=4 584 B9R0.45 C=CCCCC\C=C\C=O Amb17593510 [2,0,0,0,0,0|0,0,2]=4 585 B9R0.45 C=CCCCNCCCC Amb27799206 [2,0,0,0,0,0|1,0,1]=4 586 B9R0.45 C=CCCNCCCCC Amb27838999 [2,0,0,0,0,0|1,0,1]=4 587 B9R0.45 C=CCNCCCCCC Amb7756950 [2,0,0,0,0,0|1,0,1]=4 588 B9R0.45 C=CCOCCCCCC Amb17933923 [2,0,0,0,0,0|1,0,1]=4 589 B9R0.45 C=CCSCCCCCC Amb22733767 [2,0,0,0,0,0|1,0,1]=4 590 B9R0.45 C=COCCCCCCO Amb26931083 [2,0,0,0,0,0|2,0,0]=4 591 B9R0.45 C=COCCNCCCC Amb28364273 [2,0,0,0,0,0|2,0,0]=4 592 B9R0.45 C=C\C=C/CCCCCC Amb22641680 [2,0,0,0,0,0|0,0,1]=3 593 B9R0.45 C=C\C=C\CCCCCO Amb27242542 [2,0,0,0,0,0|1,0,1]=4 594 B9R0.45 C=C\C=C\CCNCCC Amb28049583 [2,0,0,0,0,0|1,0,1]=4 595 B9R0.45 CCCCCCCCCO Amb3940342 [2,0,0,0,0,0|0,0,2]=4 596 B9R0.45 CCCCCCCCNO Amb28069968 [2,0,0,0,0,0|1,0,1]=4 597 B9R0.45 CCCCCCCN=C=O Amb3940866 [2,0,0,0,0,0|1,0,1]=4 598 B9R0.45 CCCCCCCNC=O Amb27170738 [2,0,0,0,0,0|1,0,0]=3 599 B9R0.45 CCCCCCCOC=O Amb9787223 [2,0,0,0,0,0|1,0,0]=3 600 B9R0.45 CCCCCCC\C=N\N Amb28193253 [2,0,0,0,0,0|2,0,0]=4 601 B9R0.45 CCCCCCOCC=O Amb26624223 [2,0,0,0,0,0|1,0,1]=4 602 B9R0.45 CCCCCCO\C=C/Cl Amb27984890 [2,0,0,0,0,0|2,0,0]=4 603 B9R0.45 CCCCCC\C=C/CO Amb10807383 [2,0,0,0,0,0|0,0,1]=3 604 B9R0.45 CCCCCC\C=C\C=O Amb24061310 [2,0,0,0,0,0|0,0,0]=2 605 B9R0.45 CCCCCC\C=C\CO Amb22168300 [2,0,0,0,0,0|0,0,1]=3 606 B9R0.45 CCCCCC\C=C\OC Amb30621739 [2,0,0,0,0,0|2,0,0]=4 607 B9R0.45 CCCCCOCCC=O Amb27628424 [2,0,0,0,0,0|1,0,1]=4 608 B9R0.45 CCCCOC\C=C\CO Amb28453524 [2,0,0,0,0,0|1,0,1]=4 609 B9R0.45 CCCCSC\C=C\CO Amb28205928 [2,0,0,0,0,0|1,0,1]=4 610 B9R0.45 CCCOCCCNC=O Amb27453700 [2,0,0,0,0,0|2,0,0]=4 611 B9R0.45 CCC\C=C\C\C=C\C=O Amb27635823 [2,0,0,0,0,0|0,0,2]=4 612 B9R0.45 CCOCCCCNC=O Amb27634560 [2,0,0,0,0,0|2,0,0]=4 613 B9R0.45 CC\C=C/CC\C=C\C=O Amb2720527 [2,0,0,0,0,0|0,0,2]=4 614 B9R0.45 CC\C=C\CCCCCC Amb22231672 [2,0,0,0,0,0|1,0,1]=4 615 B9R0.45 CC\C=C\CC\C=C\C=O Amb18124509 [2,0,0,0,0,0|0,0,2]=4 616 B9R0.45 CSCCCCCNC=O Amb27165514 [2,0,0,0,0,0|2,0,0]=4 617 B9R0.45 CSCCCC\C=C\CO Amb27604531 [2,0,0,0,0,0|1,0,1]=4 618 B9R0.45 C\C=C/C=C\CCCCC Amb22641684 [2,0,0,0,0,0|1,0,1]=4 619 B9R0.45 C\C=C/CCCCCCC Amb26019969 [2,0,0,0,0,0|0,0,1]=3 620 B9R0.45 C\C=C\CCCCCCO Amb27980554 [2,0,0,0,0,0|1,0,1]=4 621 B9R0.45 C\C=C\CCCCCNC Amb26398871 [2,0,0,0,0,0|1,0,1]=4 622 B9R0.45 C\C=C\CCNCCCC Amb27789929 [2,0,0,0,0,0|1,0,1]=4 623 B9R0.45 NCCCCCCNC=O Amb28251393 [2,0,0,0,0,0|2,0,0]=4 624 B9R0.45 O=CCCCCCCCF Amb25075653 [2,0,0,0,0,0|1,0,1]=4 625 B9R0.45 O=CCCCCCCCO Amb25765567 [2,0,0,0,0,0|1,0,1]=4 626 B9R0.45 O=C\C=C/CCCCC=O Amb27168965 [2,0,0,0,0,0|1,0,1]=4 627 B9R0.45 OC\C=C\CCCCCBr Amb24666213 [2,0,0,0,0,0|1,0,1]=4 628 B9R0.45 OC\C=C\CCCCCO Amb27204813 [2,0,0,0,0,0|1,0,1]=4 629 B11R0.2 CCCCCCC(C)CC(=O)O Amb4001745 [1,1,0,0,0,0|0,0,1]=3 630 B11R0.2 CCCCCCC(C)OC(=O)Cl Amb24061311 [1,1,0,0,0,0|2,0,0]=4 631 B11R0.2 CCCCCCC(N)CC(=O)O Amb2229636 [1,1,0,0,0,0|0,0,1]=3 632 B11R0.2 CCCCCCC(N)CC(=O)O Amb31307615 [1,1,0,0,0,0|0,0,1]=3 633 B11R0.2 CCCCCCC(N)CC(N)=O Amb32787662 [1,1,0,0,0,0|1,0,1]=4 634 B11R0.2 CCCCCCC(O)CC(=O)O Amb18803982 [1,1,0,0,0,0|0,0,1]=3 635 B11R0.2 CCCCCCN(C)CC(=O)O Amb33552686 [1,1,0,0,0,0|1,0,1]=4 636 B11R0.2 COCCOC\C(C)=C\C(=O)O Amb32664148 [1,1,0,0,0,0|2,0,0]=4 637 B11R0.30 CC(=O)CCCCCCC(=O)O Amb28653044 [1,1,0,0,0,0|0,0,2]=4 638 B11R0.30 CC(C)CCCCCCC(=O)[O-] Amb33513097 [1,1,0,0,0,0|0,0,2]=4 639 B11R0.30 CC(C)CCNCCCC(=O)O Amb24271192 [1,1,0,0,0,0|1,0,1]=4 640 B11R0.30 CC(C)CCNCCCC(=O)O Amb9208916 [1,1,0,0,0,0|1,0,1]=4 641 B11R0.30 CC(C)COCCCCC(=O)O Amb9207793 [1,1,0,0,0,0|1,0,1]=4 642 B11R0.40 CCCCCCC#CC(=O)OC Amb2725482 [1,1,0,0,0,0|0,0,2]=4 643 B11R0.40 CCCCCCCCC(=O)CC Amb9024774 [1,1,0,0,0,0|1,0,1]=4 644 B11R0.40 CCCCCCCCC(=O)NN Amb6544507 [1,1,0,0,0,0|1,0,1]=4 645 B11R0.40 CCCCCCCCC(=O)OC Amb8517582 [1,1,0,0,0,0|0,0,1]=3 646 B11R0.40 CCCCCCCNC(=O)CBr Amb17323631 [1,1,0,0,0,0|2,0,0]=4 647 B11R0.40 CCCCCCCNC(=O)CCl Amb17329833 [1,1,0,0,0,0|2,0,0]=4 648 B11R0.40 CCCCCCCNC(=O)CN Amb24115161 [1,1,0,0,0,0|2,0,0]=4 649 B11R0.40 CCCCCCCOC(=O)CC Amb9787227 [1,1,0,0,0,0|2,0,0]=4 650 B11R0.40 CCCCCCCOC(=O)CCl Amb9787570 [1,1,0,0,0,0|2,0,0]=4 651 B11R0.40 CCCCCCCOC(=O)CS Amb9786410 [1,1,0,0,0,0|1,1,0]=4 652 B11R0.40 CCCCCC\C=C\C(=O)OC Amb33513079 [1,1,0,0,0,0|0,0,0]=2 653 B11R0.40 COC(=O)CCCCCCCBr Amb24063235 [1,1,0,0,0,0|1,0,1]=4 654 B11R0.40 COC(=O)CCCCCCCN Amb20669115 [1,1,0,0,0,0|1,0,1]=4 655 B11R0.40 COC(=O)CCCCCCCN Amb24331924 [1,1,0,0,0,0|1,0,1]=4 656 B11R0.40 COC(=O)NCCCCCCO Amb24095886 [1,1,0,0,0,0|2,0,0]=4 657 B11R0.42 CCCCC#C\C=C(\C)C(=O)O Amb27484014 [1,1,0,0,0,0|0,0,2]=4 658 B11R0.42 CCCCCCCC(=O)C(=O)O Amb22904309 [1,1,0,0,0,0|0,0,0]=2 659 B11R0.42 CCCCCCCC(N)C(=O)O Amb2229635 [1,1,0,0,0,0|0,0,1]=3 660 B11R0.42 CCCCCCCC(N)C(N)=O Amb18794469 [1,1,0,0,0,0|1,0,1]=4 661 B11R0.42 CCCCCCC[C@@H](N)C(=O)O Amb22747720 [1,1,0,0,0,0|0,0,1]=3 662 B11R0.42 CCCCCCC[C@H](N)C(=O)O Amb33308889 [1,1,0,0,0,0|0,0,1]=3 663 B11R0.42 CCCCCCOC(C)C(=O)O Amb7790036 [1,1,0,0,0,0|1,0,1]=4 664 B11R0.42 CCCCCC\C=C(/C)C(C)O Amb22546750 [1,1,0,0,0,0|1,0,1]=4 665 B11R0.42 CCCCOCCC(N)C(=O)O Amb18795636 [1,1,0,0,0,0|1,0,1]=4 666 B11R0.42 CCCCOCC[C@@H](N)C(=O)O Amb33065700 [1,1,0,0,0,0|1,0,1]=4 667 B11R0.42 CCCCOCC[C@H](N)C(=O)O Amb32789517 [1,1,0,0,0,0|1,0,1]=4 668 B11R0.42 CCNCCSCC(=O)C(=O)O Amb33069823 [1,1,0,0,0,0|2,0,0]=4 669 B11R0.42 CNCCCSCC(=O)C(=O)O Amb33069830 [1,1,0,0,0,0|2,0,0]=4 670 B11R0.42 NC(CCCCCCO)C(=O)O Amb32937041 [1,1,0,0,0,0|1,0,1]=4 671 B11R0.42 NCCCCSCC(=O)C(=O)O Amb33069798 [1,1,0,0,0,0|2,0,0]=4 672 B11R0.42 N[C@@H](CCCCCCO)C(=O)O Amb33033601 [1,1,0,0,0,0|1,0,1]=4 673 B11R0.42 N[C@H](CCCCCCO)C(=O)O Amb33069952 [1,1,0,0,0,0|1,0,1]=4 674 B11R0.42 O=C(O)C(=O)CSCCCCBr Amb33069755 [1,1,0,0,0,0|2,0,0]=4 675 B11R0.42 O=C(O)C(=O)CSCCCCCl Amb33069747 [1,1,0,0,0,0|2,0,0]=4 676 B11R0.42 O=C(O)C(=O)CSCCCCO Amb33069725 [1,1,0,0,0,0|2,0,0]=4 677 B11R0.42 O=C(O)C(=O)CSCCCCS Amb33069995 [1,1,0,0,0,0|2,0,0]=4 678 B11R0.46 CCCCCC(=O)CCC(=O)O Amb4330519 [1,1,0,0,0,0|0,0,2]=4 679 B11R0.46 CCCCCC(C)CCC(=O)O Amb10807482 [1,1,0,0,0,0|0,0,1]=3 680 B11R0.46 CCCCCC(C)CCC(=O)[O-] Amb33513096 [1,1,0,0,0,0|0,0,2]=4 681 B11R0.46 CCCCCN(C)CCC(=O)O Amb8392952 [1,1,0,0,0,0|1,0,1]=4 682 B11R0.46 CCCCCN(C)CCC(=O)O Amb8925855 [1,1,0,0,0,0|1,0,1]=4 683 B11R0.46 CCCCNC(=O)\C=C\C(=O)O Amb1234975 [1,1,0,0,0,0|1,0,1]=4 684 B11R0.46 CCCCOC(=O)\C=C\C(=O)O Amb6891964 [1,1,0,0,0,0|1,0,1]=4 685 B11R0.111 CCC(=O)CCCCCC(=O)O Amb6305228 [1,1,0,0,0,0|0,0,2]=4 686 B11R0.111 O=C(O)CCCCCC(F)CBr Amb22547633 [1,1,0,0,0,0|1,0,1]=4 687 B11R0.147 CCCCC(=O)CCCC(=O)O Amb6305231 [1,1,0,0,0,0|0,0,2]=4 688 B11R0.159 CCCCCCCCP(=O)(O)O Amb19515959 [1,1,0,0,0,0|1,0,1]=4 689 B11R0.159 CCCCCCCCS(=O)(=O)O Amb22228001 [1,1,0,0,0,0|1,0,1]=4 690 B11R0.176 CCCC(=O)CCCCC(=O)O Amb6305241 [1,1,0,0,0,0|0,0,2]=4 691 B11R0.176 O=C(O)CCCC[C@@H](S)CCS Amb24099064 [1,1,0,0,0,0|1,0,1]=4 692 B11R0.3 CCCCCCCC\C=C\C=O Amb22045177 [1,1,0,0,0,0|0,0,0]=2 693 B11R0.3 CCCCCCCC\C=C\CO Amb22052644 [1,1,0,0,0,0|0,0,1]=3 694 B11R0.3 C\C=C\CCCCCCCCO Amb22641580 [1,1,0,0,0,0|1,0,1]=4 695 B11R0.3 O=CCCCCCCCCCBr Amb21963218 [1,1,0,0,0,0|0,0,2]=4 696 B11R0.4 C=COC(=O)CCCCCCC Amb17672562 [1,1,0,0,0,0|2,0,0]=4 697 B13R0.62 CCCCCCCC(CC)CC(=O)O Amb32412880 [0,2,0,0,0,0|0,0,2]=4 698 B13R0.274 CCCCCCCC(=O)CC(=O)OC Amb17617713 [0,2,0,0,0,0|0,0,1]=3 699 B13R0.274 CCCCCCC[C@@H](O)CC(=O)OC Amb17615271 [0,2,0,0,0,0|0,0,2]=4 700 B13R0.274 CCCCCCC\C(C)=C\C(=O)OC Amb33472149 [0,2,0,0,0,0|0,0,0]=2 701 B13R0.335 CCCCCCCCC(C)CC(=O)O Amb28653289 [0,2,0,0,0,0|0,0,2]=4 702 B13R0.335 CCCCCCCOC(=O)CC(C)=O Amb9787148 [0,2,0,0,0,0|1,0,1]=4 703 B13R0.188 CCCCCC(=O)CCCCC(=O)O Amb6305236 [0,2,0,0,0,0|0,0,2]=4 704 B13R0.54 C=CCCCCCCCCCC(=O)O Amb6296074 [0,2,0,0,0,0|0,0,2]=4 705 B13R0.54 CCCCCCCCCCCC(=O)O Amb2708779 [0,2,0,0,0,0|0,0,2]=4 706 B13R0.54 CCCCCCCCC\C=C/C(=O)O Amb30666645 [0,2,0,0,0,0|0,0,0]=2 707 B13R0.54 CCCCCCCCC\C=C\C(=O)O Amb13952752 [0,2,0,0,0,0|0,0,0]=2 708 B13R0.54 CCCCCCCCSCCC(=O)O Amb1038994 [0,2,0,0,0,0|0,0,2]=4 709 B13R0.54 CCCCCNCCCCCC(=O)O Amb32410634 [0,2,0,0,0,0|0,0,2]=4 710 B13R0.54 CCCCOCCOCCCC(=O)O Amb9208474 [0,2,0,0,0,0|0,0,2]=4 711 B13R0.54 CCCCSCCCCCCC(=O)O Amb1036584 [0,2,0,0,0,0|0,0,2]=4 712 B13R0.54 N#CCCCCCCCCCC(=O)O Amb22547629 [0,2,0,0,0,0|0,0,2]=4 713 B13R0.54 NCCCCCCCCCCC(=O)O Amb3940461 [0,2,0,0,0,0|0,0,2]=4 714 B13R0.54 O=C(O)CCCCCCCCCCBr Amb639361 [0,2,0,0,0,0|0,0,2]=4 715 B13R0.54 O=C(O)CCCCCCCCCCCl Amb534918 [0,2,0,0,0,0|0,0,2]=4 716 B13R0.54 O=C(O)CCCCCCCCCCO Amb1814707 [0,2,0,0,0,0|0,0,2]=4 717 B13R0.54 O=C(O)CCCCCCCCCCS Amb584507 [0,2,0,0,0,0|0,0,2]=4 718 B13R0.119 CCCCC(=O)CCCCCC(=O)O Amb6305233 [0,2,0,0,0,0|0,0,2]=4 719 B13R0.147 CCCCCCCCCCC(=O)OC Amb9787313 [0,2,0,0,0,0|0,0,2]=4 720 B13R0.147 COC(=O)CCCCCCCCCBr Amb3941556 [0,2,0,0,0,0|0,0,2]=4 721 B13R0.147 COC(=O)CCCCCCCCCN Amb32680801 [0,2,0,0,0,0|0,0,2]=4 722 B13R0.147 COC(=O)CCCCCCCCCN Amb33330795 [0,2,0,0,0,0|0,0,2]=4 723 B13R0.150 CCCCCCCCCC(C)C(=O)O Amb18320092 [0,2,0,0,0,0|0,0,2]=4 724 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O Amb34139108 [0,2,0,0,0,0|0,0,2]=4 725 B13R0.150 CCCCCCCCC[C@H](N)C(=O)O Amb34152043 [0,2,0,0,0,0|0,0,2]=4 726 B13R0.150 CCCCCCCCNC(=O)C(=O)O Amb28653366 [0,2,0,0,0,0|0,0,1]=3 727 B13R0.154 CCCCCCCC(=O)NCC(=O)O Amb3998086 [0,2,0,0,0,0|0,0,1]=3 728 B13R0.154 CCCCCCNC(=O)\C=C\C(=O)O Amb2763148 [0,2,0,0,0,0|0,0,1]=3 729 B13R0.179 CC(Br)CCCCCCCCC(=O)O Amb8487858 [0,2,0,0,0,0|0,0,2]=4 730 B13R0.202 COC(=O)CCCCC\C=C\C(=O)O Amb33038190 [0,2,0,0,0,0|0,0,1]=3 731 B13R0.202 O=C(O)CCCCCCCC(F)CBr Amb22547613 [0,2,0,0,0,0|0,0,2]=4 732 B13R0.2 C=COC(=O)CCCCCCCCC Amb17672564 [0,2,0,0,0,0|0,0,2]=4 733 B13R0.2 CCCCCCCCCC(=O)OCCl Amb31282507 [0,2,0,0,0,0|0,0,2]=4 734 B13R0.2 CCCCCCCCCC(=O)OCI Amb32410583 [0,2,0,0,0,0|0,0,2]=4 735 B13R0.2 CCCCC\C=C/C=C/C(=O)OCC Amb8514985 [0,2,0,0,0,0|0,0,2]=4 736 B13R0.1167 CCCCCCC(C)(O)CCC(=O)O Amb30987997 [0,2,0,0,0,0|0,0,2]=4 737 B11R1.24 CCCCC1CC=CC(=O)N1 Amb27483840 [1,0,0,1,0,0|1,0,0]=3 738 B11R1.24 O=C1C=CC[C@H](CCCO)O1 Amb27775902 [1,0,0,1,0,0|1,0,0]=3 739 B11R1.27 CCCCCC1=CCC(=O)O1 Amb26998895 [1,0,0,1,0,0|0,0,2]=4 740 B11R1.27 CCCCCC1C=CC(=O)O1 Amb24766300 [1,0,0,1,0,0|0,0,0]=2 741 B11R1.27 CCCCCC1CCC(=O)O1 Amb569744 [1,0,0,1,0,0|0,0,1]=3 742 B11R1.27 CCCCCC1CN=C(N)O1 Amb27987869 [1,0,0,1,0,0|2,0,0]=4 743 B11R1.27 CCCCCC1CNC(=O)O1 Amb27987874 [1,0,0,1,0,0|1,0,0]=3 744 B11R1.27 CCCCC[C@@H]1CCC(=O)C1 Amb27673726 [1,0,0,1,0,0|1,0,1]=4 745 B11R1.27 CCCCC[C@H]1CCC(=O)C1 Amb28080151 [1,0,0,1,0,0|1,0,1]=4 746 B11R1.27 CCCCC[C@H]1CCC(=O)N1 Amb28080184 [1,0,0,1,0,0|1,0,1]=4 747 B11R1.27 CCCCC[C@H]1CCC(=O)O1 Amb22348365 [1,0,0,1,0,0|0,0,1]=3 748 B11R1.27 CCCCCc1ccc(C)o1 Amb27672035 [1,0,0,1,0,0|1,0,1]=4 749 B11R1.27 CCCCOC1C=CC(=O)N1 Amb27673614 [1,0,0,1,0,0|2,0,0]=4 750 B11R1.27 CCCNCC1CNC(=O)O1 Amb28352094 [1,0,0,1,0,0|2,0,0]=4 751 B11R1.27 NCCCCC1CCC(=O)O1 Amb27671667 [1,0,0,1,0,0|1,0,1]=4 752 B11R1.27 O=C1C=C[C@@H](CCCCO)O1 Amb27989710 [1,0,0,1,0,0|1,0,0]=3 753 B11R1.53 CCC1=C(C(=O)Cl)CCCC1 Amb28324256 [1,0,0,1,0,0|1,0,1]=4 754 B11R1.53 CCC1=C(C(=O)O)CCCO1 Amb24528967 [1,0,0,1,0,0|1,0,1]=4 755 B11R1.53 CCC1CCCCC1C(=O)O Amb27606678 [1,0,0,1,0,0|0,0,1]=3 756 B11R1.53 CCC1CCCCC1C(N)=O Amb27989232 [1,0,0,1,0,0|1,0,1]=4 757 B11R1.53 CCC1CCCCN1C(N)=O Amb8873523 [1,0,0,1,0,0|2,0,0]=4 758 B11R1.53 CCC1CCCNC1C(=O)O Amb26014486 [1,0,0,1,0,0|1,0,1]=4 759 B11R1.53 CCC1CCNCC1C(=O)O Amb18199964 [1,0,0,1,0,0|1,0,1]=4 760 B11R1.53 CCC1CNCCC1C(=O)O Amb33275584 [1,0,0,1,0,0|1,0,1]=4 761 B11R1.53 CCC1COCCC1C(=O)O Amb27791043 [1,0,0,1,0,0|1,0,1]=4 762 B11R1.53 CCC1NCCCC1C(=O)O Amb27858957 [1,0,0,1,0,0|1,0,1]=4 763 B11R1.53 CCC1OCCCC1C(=O)O Amb26441727 [1,0,0,1,0,0|1,0,1]=4 764 B11R1.53 CCN1CCCCC1C(=O)O Amb10603421 [1,0,0,1,0,0|1,0,1]=4 765 B11R1.53 CCN1CCCCC1C(=O)O Amb9299667 [1,0,0,1,0,0|1,0,1]=4 766 B11R1.53 CCN1CCCC[C@@H]1C(=O)O Amb27400269 [1,0,0,1,0,0|1,0,1]=4 767 B11R1.53 CCN1CCCC[C@H]1C(=O)O Amb28244690 [1,0,0,1,0,0|1,0,1]=4 768 B11R1.53 CC[C@@H]1CCCC[C@H]1C(C)=O Amb25232533 [1,0,0,1,0,0|1,0,1]=4 769 B11R1.53 CC[C@@H]1CCCN[C@@H]1C(=O)O Amb28200831 [1,0,0,1,0,0|1,0,1]=4 770 B11R1.53 CC[C@@H]1NCCC[C@H]1C(=O)O Amb18199984 [1,0,0,1,0,0|1,0,1]=4 771 B11R1.53 CC[C@@H]1OCCC[C@@H]1C(=O)O Amb27858544 [1,0,0,1,0,0|1,0,1]=4 772 B11R1.53 CC[C@H]1CCCN[C@@H]1C(=O)O Amb27620290 [1,0,0,1,0,0|1,0,1]=4 773 B11R1.53 CNC1CCCC=C1C(=O)O Amb27411507 [1,0,0,1,0,0|1,0,0]=3 774 B11R1.53 CNC1CCCCC1C(=O)O Amb26595951 [1,0,0,1,0,0|1,0,1]=4 775 B11R1.53 COC1CCCCC1C(=O)O Amb18967398 [1,0,0,1,0,0|1,0,1]=4 776 B11R1.53 CO[C@H]1CCCC[C@@H]1C(=O)O Amb27845470 [1,0,0,1,0,0|1,0,1]=4 777 B11R1.53 NCC1CCCCC1C(=O)O Amb18126060 [1,0,0,1,0,0|1,0,1]=4 778 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O Amb22901093 [1,0,0,1,0,0|1,0,1]=4 779 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O Amb24602383 [1,0,0,1,0,0|1,0,1]=4 780 B11R1.53 O=C(O)C1=CCCCC1CO Amb27401800 [1,0,0,1,0,0|1,0,0]=3 781 B11R1.53 O=C(O)C1CCCCC1CCl Amb28121870 [1,0,0,1,0,0|1,0,1]=4 782 B11R1.53 O=C(O)C1CCCCC1CF Amb20668097 [1,0,0,1,0,0|1,0,1]=4 783 B11R1.53 O=C(O)C1CCCCC1CO Amb24484407 [1,0,0,1,0,0|1,0,1]=4 784 B11R1.53 O=C(O)[C@H]1CCCC[C@H]1CO Amb24615220 [1,0,0,1,0,0|1,0,1]=4 785 B11R1.57 CCC1CCCC1NC(=O)Cl Amb35633526 [1,0,0,1,0,0|2,0,0]=4 786 B11R1.57 CCC1CNCC1CC(=O)O Amb28198977 [1,0,0,1,0,0|1,0,1]=4 787 B11R1.57 CCC1COCC1CC(=O)O Amb35631919 [1,0,0,1,0,0|1,0,1]=4 788 B11R1.57 CCC1COC\C1=C/C(=O)O Amb35631904 [1,0,0,1,0,0|1,0,0]=3 789 B11R1.57 CCC1COC\C1=C/C(C)=O Amb35616359 [1,0,0,1,0,0|2,0,0]=4 790 B11R1.57 CCN1CCCC1CC(=O)O Amb17504530 [1,0,0,1,0,0|1,0,1]=4 791 B11R1.57 CCN1CCCC1CC(=O)O Amb33550833 [1,0,0,1,0,0|1,0,1]=4 792 B11R1.57 CC[C@@H]1NCC[C@H]1CC(=O)O Amb18199980 [1,0,0,1,0,0|1,0,1]=4 793 B11R1.57 CC[C@H]1NCC[C@@H]1CC(=O)O Amb28429151 [1,0,0,1,0,0|1,0,1]=4 794 B11R1.57 COC1CCCC1CC(=O)O Amb18199909 [1,0,0,1,0,0|1,0,1]=4 795 B11R1.57 NC[C@@H]1CCC[C@H]1CC(=O)O Amb27967366 [1,0,0,1,0,0|1,0,1]=4 796 B11R1.86 CC(=O)N[C@H]1CCCC[C@@H]1C Amb28435840 [1,0,0,1,0,0|2,0,0]=4 797 B11R1.86 CC(=O)O[C@@H]1CCCC[C@H]1C Amb26958236 [1,0,0,1,0,0|2,0,0]=4 798 B11R1.86 CC1CCCCC1C=C(Br)Br Amb27490358 [1,0,0,1,0,0|2,0,0]=4 799 B11R1.86 CC1CCCCC1CC(=O)O Amb6749252 [1,0,0,1,0,0|0,0,1]=3 800 B11R1.86 CC1CCCCC1CC(N)=O Amb27232827 [1,0,0,1,0,0|1,0,1]=4 801 B11R1.86 CC1CCCCC1NC(=O)Cl Amb35637113 [1,0,0,1,0,0|2,0,0]=4 802 B11R1.86 CC1CCCCC1NC(N)=O Amb1105317 [1,0,0,1,0,0|2,0,0]=4 803 B11R1.86 CC1CCCCC1OC(=O)Cl Amb27648622 [1,0,0,1,0,0|2,0,0]=4 804 B11R1.86 CC1CCCCN1CC(=O)O Amb6356107 [1,0,0,1,0,0|1,0,1]=4 805 B11R1.86 CC1CCNCC1CC(=O)O Amb28652859 [1,0,0,1,0,0|1,0,1]=4 806 B11R1.86 CC1CCNCC1CC(=O)O Amb8387926 [1,0,0,1,0,0|1,0,1]=4 807 B11R1.86 CC1CNCCC1CC(=O)O Amb8387925 [1,0,0,1,0,0|1,0,1]=4 808 B11R1.86 CC1NCCCC1CC(=O)O Amb32662853 [1,0,0,1,0,0|1,0,1]=4 809 B11R1.86 CC1NCCCC1CC(=O)O Amb8387928 [1,0,0,1,0,0|1,0,1]=4 810 B11R1.86 CC1SCCCC1CC(=O)O Amb27235116 [1,0,0,1,0,0|1,0,1]=4 811 B11R1.86 CN1CCCCC1CC(=O)O Amb1076959 [1,0,0,1,0,0|1,0,1]=4 812 B11R1.86 CN1CCCCC1CC(=O)O Amb13885783 [1,0,0,1,0,0|1,0,1]=4 813 B11R1.86 NC(=O)\C=C1/CCCCC1O Amb27813333 [1,0,0,1,0,0|2,0,0]=4 814 B11R1.86 NC1CCCCC1CC(=O)O Amb24509773 [1,0,0,1,0,0|1,0,1]=4 815 B11R1.86 NC1CCCCC1CC(=O)O Amb28652992 [1,0,0,1,0,0|1,0,1]=4 816 B11R1.86 NC1CCCC\C1=C/C(=O)O Amb28285400 [1,0,0,1,0,0|1,0,0]=3 817 B11R1.86 N[C@@H]1CCCC[C@@H]1CC(=O)O Amb26528136 [1,0,0,1,0,0|1,0,1]=4 818 B11R1.86 N[C@@H]1CCCC[C@@H]1CC(=O)O Amb32661117 [1,0,0,1,0,0|1,0,1]=4 819 B11R1.86 N[C@@H]1CCCC[C@H]1CC(=O)O Amb28199039 [1,0,0,1,0,0|1,0,1]=4 820 B11R1.86 N[C@H]1CCCC[C@H]1CC(=O)O Amb24561031 [1,0,0,1,0,0|1,0,1]=4 821 B11R1.86 O=C(O)CC1CCCCC1F Amb24697602 [1,0,0,1,0,0|1,0,1]=4 822 B11R1.86 O=C(O)CC1CCCCC1O Amb8009303 [1,0,0,1,0,0|1,0,1]=4 823 B11R1.86 O=C(O)CC1CCCC[C@H]1O Amb25792260 [1,0,0,1,0,0|1,0,1]=4 824 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1F Amb25168843 [1,0,0,1,0,0|1,0,1]=4 825 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1O Amb28057566 [1,0,0,1,0,0|1,0,1]=4 826 B11R1.86 O=C(O)C[C@H]1CCCC[C@@H]1O Amb25274080 [1,0,0,1,0,0|1,0,1]=4 827 B11R1.86 O=C(O)C[C@H]1CCCC[C@H]1O Amb27419962 [1,0,0,1,0,0|1,0,1]=4 828 B11R1.86 O=C(O)\C=C1\CCCCC1O Amb27241357 [1,0,0,1,0,0|1,0,0]=3 829 B11R1.90 CC(=O)NCC1CCCC1C Amb27617362 [1,0,0,1,0,0|2,0,0]=4 830 B11R1.90 CC(=O)NC[C@@H]1CCC[C@@H]1C Amb27216289 [1,0,0,1,0,0|2,0,0]=4 831 B11R1.90 CC(=O)\C=C\C1CCOC1C Amb33426816 [1,0,0,1,0,0|2,0,0]=4 832 B11R1.90 CC1CCCC1CNC(=O)Cl Amb35633347 [1,0,0,1,0,0|2,0,0]=4 833 B11R1.90 CC1CCCN1\C=C\C(=O)O Amb27644330 [1,0,0,1,0,0|1,0,0]=3 834 B11R1.90 CC1OCCC1CCC(=O)O Amb33427953 [1,0,0,1,0,0|1,0,1]=4 835 B11R1.90 CC1OCCC1\C=C\C(=O)O Amb33427648 [1,0,0,1,0,0|1,0,0]=3 836 B11R1.90 CN1CCCC1CCC(=O)O Amb17504569 [1,0,0,1,0,0|1,0,1]=4 837 B11R1.90 CN1CCCC1CCC(=O)O Amb28872305 [1,0,0,1,0,0|1,0,1]=4 838 B11R1.90 CN1CCC[C@@H]1\C=C\C(=O)O Amb33714876 [1,0,0,1,0,0|1,0,0]=3 839 B11R1.90 C[C@H]1CCC[C@@H]1CCC(=O)O Amb28455731 [1,0,0,1,0,0|0,0,1]=3 840 B11R1.90 N[C@@H]1CCC[C@H]1CCC(=O)O Amb28244799 [1,0,0,1,0,0|1,0,1]=4 841 B11R1.90 O=C(O)CCC1CCCC1F Amb27623706 [1,0,0,1,0,0|1,0,1]=4 842 B11R1.91 CC(=O)CCC1CCCCC1 Amb9031564 [1,0,0,1,0,0|1,0,1]=4 843 B11R1.91 CC(=O)OCC1CCCCC1 Amb24323616 [1,0,0,1,0,0|2,0,0]=4 844 B11R1.91 CC(=O)\C=C/C1CCCCC1 Amb28141273 [1,0,0,1,0,0|1,0,0]=3 845 B11R1.91 CC(=O)\C=C\C1CCCCC1 Amb24625780 [1,0,0,1,0,0|1,0,0]=3 846 B11R1.91 CC(=O)\C=C\C1CCCCO1 Amb32953626 [1,0,0,1,0,0|2,0,0]=4 847 B11R1.91 CC(=O)\C=C\C1CCCOC1 Amb33474258 [1,0,0,1,0,0|2,0,0]=4 848 B11R1.91 CC(=O)\C=C\C1CCCSC1 Amb32954832 [1,0,0,1,0,0|2,0,0]=4 849 B11R1.91 CC(=O)\C=C\C1CCOCC1 Amb33171968 [1,0,0,1,0,0|2,0,0]=4 850 B11R1.91 CC(=O)\C=N\C1CCCCC1 Amb28052310 [1,0,0,1,0,0|2,0,0]=4 851 B11R1.91 CC(O)\C=C\C1CCCCC1 Amb26897095 [1,0,0,1,0,0|1,0,1]=4 852 B11R1.91 NC(=O)CCC1CCCCC1 Amb6430126 [1,0,0,1,0,0|1,0,1]=4 853 B11R1.91 NC(=O)NCC1CCCCC1 Amb4016522 [1,0,0,1,0,0|2,0,0]=4 854 B11R1.91 NC(=O)OCC1CCCCC1 Amb28458479 [1,0,0,1,0,0|2,0,0]=4 855 B11R1.91 NC(=O)\C=C/C1CCNCC1 Amb27471045 [1,0,0,1,0,0|2,0,0]=4 856 B11R1.91 O=C(Cl)CCC1CCCCC1 Amb2720380 [1,0,0,1,0,0|1,0,1]=4 857 B11R1.91 O=C(Cl)NCC1CCCCC1 Amb35637043 [1,0,0,1,0,0|2,0,0]=4 858 B11R1.91 O=C(Cl)OCC1CCCCC1 Amb25140788 [1,0,0,1,0,0|2,0,0]=4 859 B11R1.91 O=C(O)C#CC1CCCCC1 Amb21963916 [1,0,0,1,0,0|0,0,2]=4 860 B11R1.91 O=C(O)CCC1CCCCC1 Amb3939828 [1,0,0,1,0,0|0,0,1]=3 861 B11R1.91 O=C(O)CCC1CCCCN1 Amb1102729 [1,0,0,1,0,0|1,0,1]=4 862 B11R1.91 O=C(O)CCC1CCCCN1 Amb8630249 [1,0,0,1,0,0|1,0,1]=4 863 B11R1.91 O=C(O)CCC1CCCCO1 Amb17506864 [1,0,0,1,0,0|1,0,1]=4 864 B11R1.91 O=C(O)CCC1CCCCS1 Amb33470228 [1,0,0,1,0,0|1,0,1]=4 865 B11R1.91 O=C(O)CCC1CCCNC1 Amb10576190 [1,0,0,1,0,0|1,0,1]=4 866 B11R1.91 O=C(O)CCC1CCCNC1 Amb1101056 [1,0,0,1,0,0|1,0,1]=4 867 B11R1.91 O=C(O)CCC1CCCOC1 Amb33529911 [1,0,0,1,0,0|1,0,1]=4 868 B11R1.91 O=C(O)CCC1CCCSC1 Amb18825218 [1,0,0,1,0,0|1,0,1]=4 869 B11R1.91 O=C(O)CCC1CCC[NH2+]C1 Amb2694709 [1,0,0,1,0,0|1,0,1]=4 870 B11R1.91 O=C(O)CCC1CCNCC1 Amb10609864 [1,0,0,1,0,0|1,0,1]=4 871 B11R1.91 O=C(O)CCC1CCNCC1 Amb10609915 [1,0,0,1,0,0|1,0,1]=4 872 B11R1.91 O=C(O)CCC1CCNCC1 Amb2696646 [1,0,0,1,0,0|1,0,1]=4 873 B11R1.91 O=C(O)CCC1CCOCC1 Amb18990337 [1,0,0,1,0,0|1,0,1]=4 874 B11R1.91 O=C(O)CCC1CCSCC1 Amb18197511 [1,0,0,1,0,0|1,0,1]=4 875 B11R1.91 O=C(O)CCN1CCCCC1 Amb10609748 [1,0,0,1,0,0|1,0,1]=4 876 B11R1.91 O=C(O)CCN1CCCCC1 Amb594197 [1,0,0,1,0,0|1,0,1]=4 877 B11R1.91 O=C(O)CNC1CCCCC1 Amb19263851 [1,0,0,1,0,0|1,0,1]=4 878 B11R1.91 O=C(O)CNC1CCCCC1 Amb840542 [1,0,0,1,0,0|1,0,1]=4 879 B11R1.91 O=C(O)COC1CCCCC1 Amb2693120 [1,0,0,1,0,0|1,0,1]=4 880 B11R1.91 O=C(O)CSC1CCCCC1 Amb6537757 [1,0,0,1,0,0|1,0,1]=4 881 B11R1.91 O=C(O)\C=C\C1=CCCCC1 Amb24670201 [1,0,0,1,0,0|0,0,2]=4 882 B11R1.91 O=C(O)\C=C\C1C=CCCC1 Amb27481955 [1,0,0,1,0,0|0,0,2]=4 883 B11R1.91 O=C(O)\C=C\C1CC=CCC1 Amb3992530 [1,0,0,1,0,0|0,0,2]=4 884 B11R1.91 O=C(O)\C=C\C1CCCCC1 Amb31330735 [1,0,0,1,0,0|0,0,0]=2 885 B11R1.91 O=C(O)\C=C\C1CCCCO1 Amb33475332 [1,0,0,1,0,0|1,0,0]=3 886 B11R1.91 O=C(O)\C=C\C1CCCCS1 Amb33470059 [1,0,0,1,0,0|1,0,0]=3 887 B11R1.91 O=C(O)\C=C\C1CCCNC1 Amb27783604 [1,0,0,1,0,0|1,0,0]=3 888 B11R1.91 O=C(O)\C=C\C1CCCOC1 Amb33042780 [1,0,0,1,0,0|1,0,0]=3 889 B11R1.91 O=C(O)\C=C\C1CCCSC1 Amb33474065 [1,0,0,1,0,0|1,0,0]=3 890 B11R1.91 O=C(O)\C=C\C1CCOCC1 Amb18961299 [1,0,0,1,0,0|1,0,0]=3 891 B11R1.91 O=C(O)\C=C\C1CCSCC1 Amb27619229 [1,0,0,1,0,0|1,0,0]=3 892 B11R1.91 O=C(O)\C=C\N1CCCCC1 Amb27217215 [1,0,0,1,0,0|1,0,0]=3 893 B11R1.91 O=C(O)\C=C\N1CCNCC1 Amb27167288 [1,0,0,1,0,0|2,0,0]=4 894 B11R1.91 O=C(O)\C=C\N1CCSCC1 Amb27173886 [1,0,0,1,0,0|2,0,0]=4 895 B11R1.91 O=[N+]([O-])\C=C\C1CCCCC1 Amb18181954 [1,0,0,1,0,0|1,0,1]=4 896 B11R1.91 OB(O)\C=C\C1CCCCC1 Amb33869732 [1,0,0,1,0,0|1,0,1]=4 897 B11R1.101 O=C1C=CCCCCCCC1 Amb28254479 [1,0,0,1,0,0|1,0,0]=3 898 B11R1.101 O=C1CCCCCCCCC1 Amb2778532 [1,0,0,1,0,0|1,0,1]=4 899 B11R1.101 O=C1CCCCCCCCN1 Amb4034840 [1,0,0,1,0,0|1,0,1]=4 900 B11R1.101 O[C@H]1C=CCCCCCCC1 Amb28206118 [1,0,0,1,0,0|1,0,1]=4 901 B11R1.102 CC1CC1NC\C=C\C(=O)O Amb28386718 [1,0,0,1,0,0|1,0,0]=3 902 B11R1.107 CC1CCCCCCC(=O)C1 Amb28200023 [1,0,0,1,0,0|1,0,1]=4 903 B11R1.110 CCCC1CCCCC(=O)N1 Amb2229640 [1,0,0,1,0,0|1,0,1]=4 904 B11R1.110 CCC[C@@H]1CCC=CC(=O)N1 Amb27960353 [1,0,0,1,0,0|1,0,0]=3 905 B11R1.110 O=C1CCCCC(CCCl)O1 Amb27407753 [1,0,0,1,0,0|1,0,1]=4 906 B11R1.110 O=C1CCCC[C@@H](CCO)O1 Amb27197176 [1,0,0,1,0,0|1,0,1]=4 907 B11R1.143 CC(=O)C1CCCCCC1C Amb35725700 [1,0,0,1,0,0|1,0,1]=4 908 B11R1.143 CC1CCNCCC1C(=O)O Amb27445777 [1,0,0,1,0,0|1,0,1]=4 909 B11R1.143 CC1CCOCCC1C(=O)O Amb27861013 [1,0,0,1,0,0|1,0,1]=4 910 B11R1.143 CC1NCCCCC1C(=O)O Amb27597000 [1,0,0,1,0,0|1,0,1]=4 911 B11R1.143 CN1CCCCCC1C(=O)O Amb3941310 [1,0,0,1,0,0|1,0,1]=4 912 B11R1.143 CN1CCCCCC1C(=O)O Amb8503498 [1,0,0,1,0,0|1,0,1]=4 913 B11R1.143 C[C@@H]1NCCCC[C@H]1C(=O)O Amb18199981 [1,0,0,1,0,0|1,0,1]=4 914 B11R1.143 C[C@H]1NCCCC[C@@H]1C(=O)O Amb27420245 [1,0,0,1,0,0|1,0,1]=4 915 B11R1.143 NC1CCCCCC1C(=O)O Amb2694961 [1,0,0,1,0,0|1,0,1]=4 916 B11R1.143 NC1CCCCCC1C(=O)O Amb8630073 [1,0,0,1,0,0|1,0,1]=4 917 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O Amb1993851 [1,0,0,1,0,0|1,0,1]=4 918 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O Amb1994004 [1,0,0,1,0,0|1,0,1]=4 919 B11R1.143 N[C@@H]1CCCCC[C@H]1C(=O)O Amb27635591 [1,0,0,1,0,0|1,0,1]=4 920 B11R1.143 N[C@H]1CCCCC[C@@H]1C(=O)O Amb28411250 [1,0,0,1,0,0|1,0,1]=4 921 B11R1.143 N[C@H]1CCCCC[C@H]1C(=O)O Amb1993850 [1,0,0,1,0,0|1,0,1]=4 922 B11R1.143 N[C@H]1CCCCC[C@H]1C(=O)O Amb1994003 [1,0,0,1,0,0|1,0,1]=4 923 B11R1.143 O=C(O)C1=C(Cl)CCCCC1 Amb27858604 [1,0,0,1,0,0|1,0,1]=4 924 B11R1.143 O=C(O)C1CCCCCC1O Amb18280963 [1,0,0,1,0,0|1,0,1]=4 925 B11R1.143 O=C(O)C1CCCCCC1S Amb18949212 [1,0,0,1,0,0|1,0,1]=4 926 B11R1.143 O=C(O)[C@@H]1CCCCC[C@@H]1O Amb27848050 [1,0,0,1,0,0|1,0,1]=4 927 B11R1.143 O=C(O)[C@H]1CCCCC[C@@H]1O Amb27848051 [1,0,0,1,0,0|1,0,1]=4 928 B11R1.161 CC1CCC1CCCC(=O)O Amb27266949 [1,0,0,1,0,0|0,0,1]=3 929 B11R1.161 CC1CCC1NCCC(=O)O Amb27270129 [1,0,0,1,0,0|1,0,1]=4 930 B11R1.172 CC(=O)CCCC1CCCC1 Amb26076138 [1,0,0,1,0,0|1,0,1]=4 931 B11R1.172 CC(=O)NCCC1CCCC1 Amb8328911 [1,0,0,1,0,0|2,0,0]=4 932 B11R1.172 CC(=O)OCCC1CCCC1 Amb28326525 [1,0,0,1,0,0|2,0,0]=4 933 B11R1.172 CC(=O)\C=C\CC1CCCC1 Amb33378003 [1,0,0,1,0,0|1,0,0]=3 934 B11R1.172 CC(C)=CCCC1CCCC1 Amb30023888 [1,0,0,1,0,0|2,0,0]=4 935 B11R1.172 O=C(Cl)NCCC1CCCC1 Amb35625732 [1,0,0,1,0,0|2,0,0]=4 936 B11R1.172 O=C(Cl)\C=C\CN1CCCC1 Amb8388224 [1,0,0,1,0,0|2,0,0]=4 937 B11R1.172 O=C(O)C#CCC1CCCC1 Amb28370188 [1,0,0,1,0,0|0,0,2]=4 938 B11R1.172 O=C(O)CCCC1CCCC1 Amb19149142 [1,0,0,1,0,0|0,0,1]=3 939 B11R1.172 O=C(O)CCCC1CCCN1 Amb18199969 [1,0,0,1,0,0|1,0,1]=4 940 B11R1.172 O=C(O)CCCC1CCCO1 Amb26990705 [1,0,0,1,0,0|1,0,1]=4 941 B11R1.172 O=C(O)CCCC1CCCS1 Amb26659241 [1,0,0,1,0,0|1,0,1]=4 942 B11R1.172 O=C(O)CCCC1CCOC1 Amb24755490 [1,0,0,1,0,0|1,0,1]=4 943 B11R1.172 O=C(O)CCCC1CCSC1 Amb27989571 [1,0,0,1,0,0|1,0,1]=4 944 B11R1.172 O=C(O)CCCN1CCCC1 Amb2607773 [1,0,0,1,0,0|1,0,1]=4 945 B11R1.172 O=C(O)CCCN1CCCC1 Amb33551514 [1,0,0,1,0,0|1,0,1]=4 946 B11R1.172 O=C(O)CCNC1CCCC1 Amb1109669 [1,0,0,1,0,0|1,0,1]=4 947 B11R1.172 O=C(O)CCNC1CCCC1 Amb13951292 [1,0,0,1,0,0|1,0,1]=4 948 B11R1.172 O=C(O)CCOC1CCCC1 Amb6275835 [1,0,0,1,0,0|1,0,1]=4 949 B11R1.172 O=C(O)CCSC1CCCC1 Amb6274643 [1,0,0,1,0,0|1,0,1]=4 950 B11R1.172 O=C(O)COCC1CCCC1 Amb21963936 [1,0,0,1,0,0|1,0,1]=4 951 B11R1.172 O=C(O)C\C=C\C1CCCC1 Amb24473377 [1,0,0,1,0,0|0,0,2]=4 952 B11R1.172 O=C(O)\C=C\C=C1CCCC1 Amb27870905 [1,0,0,1,0,0|0,0,2]=4 953 B11R1.172 O=C(O)\C=C\CC1CCCC1 Amb33172382 [1,0,0,1,0,0|0,0,0]=2 954 B11R1.172 O=C(O)\C=C\CN1CCCC1 Amb33969252 [1,0,0,1,0,0|1,0,0]=3 955 B11R1.172 O=C(O)\C=C\CN1CCCC1 Amb34916713 [1,0,0,1,0,0|1,0,0]=3 956 B11R1.172 O=[N+]([O-])\C=C\CC1CCCC1 Amb33378375 [1,0,0,1,0,0|1,0,1]=4 957 B11R1.172 OB(O)\C=C\CC1CCCC1 Amb22491038 [1,0,0,1,0,0|1,0,1]=4 958 B11R1.174 O=C(O)\C=C\CNC1CCC1 Amb28386721 [1,0,0,1,0,0|1,0,0]=3 959 B11R1.174 O=C(O)\C=C\CNC1COC1 Amb28386732 [1,0,0,1,0,0|2,0,0]=4 960 B11R1.174 O=C(O)\C=C\COC1CCC1 Amb19020651 [1,0,0,1,0,0|1,0,0]=3 961 B11R1.174 O=C(O)\C=C\CSC1COC1 Amb27271347 [1,0,0,1,0,0|2,0,0]=4 962 B11R1.174 O=C(O)\C=C\NCC1CCC1 Amb27495005 [1,0,0,1,0,0|1,0,0]=3 963 B11R1.174 O=C(O)\C=C\NCC1CSC1 Amb35638850 [1,0,0,1,0,0|2,0,0]=4 964 B11R1.176 O=C(O)CCCOCC1CC1 Amb6680910 [1,0,0,1,0,0|1,0,1]=4 965 B11R1.176 O=C(O)\C=C\NCCC1CC1 Amb28386716 [1,0,0,1,0,0|1,0,0]=3 966 B11R1.193 CCCC1CCCC1C(=O)O Amb18644850 [1,0,0,1,0,0|0,0,1]=3 967 B11R1.193 CCCC1CCCN1C(=O)Cl Amb27493472 [1,0,0,1,0,0|2,0,0]=4 968 B11R1.193 CCCC1CCNC1C(=O)O Amb25241187 [1,0,0,1,0,0|1,0,1]=4 969 B11R1.193 CCCC1CCNC1C(=O)O Amb28652947 [1,0,0,1,0,0|1,0,1]=4 970 B11R1.193 CCCC1CCN[C@@H]1C(=O)O Amb28340938 [1,0,0,1,0,0|1,0,1]=4 971 B11R1.193 CCCC1COCC1C(=O)O Amb27864218 [1,0,0,1,0,0|1,0,1]=4 972 B11R1.193 CCCN1CCCC1C(=O)O Amb9704298 [1,0,0,1,0,0|1,0,1]=4 973 B11R1.193 CCCN1CCC[C@@H]1C(=O)O Amb27591265 [1,0,0,1,0,0|1,0,1]=4 974 B11R1.193 CCCN1CCC[C@@H]1C(=O)O Amb27839891 [1,0,0,1,0,0|1,0,1]=4 975 B11R1.193 CCCN1CCC[C@H]1C(=O)O Amb25864864 [1,0,0,1,0,0|1,0,1]=4 976 B11R1.193 CCC[C@@H]1CCC[C@@H]1C(=O)O Amb27878683 [1,0,0,1,0,0|0,0,1]=3 977 B11R1.193 CCC[C@@H]1CCN[C@H]1C(=O)O Amb26452406 [1,0,0,1,0,0|1,0,1]=4 978 B11R1.193 CCC[C@@H]1CNC[C@H]1C(=O)O Amb32992396 [1,0,0,1,0,0|1,0,1]=4 979 B11R1.193 CCC[C@@H]1CNC[C@H]1C(=O)O Amb32992397 [1,0,0,1,0,0|1,0,1]=4 980 B11R1.193 CCOC1=C(C(=O)O)CCC1 Amb24487805 [1,0,0,1,0,0|1,0,1]=4 981 B11R1.193 CNCC1CCCC1C(=O)O Amb27654981 [1,0,0,1,0,0|1,0,1]=4 982 B11R1.193 COCC1CCCC1C(=O)O Amb25200900 [1,0,0,1,0,0|1,0,1]=4 983 B11R1.193 COC[C@@H]1CCC[C@@H]1C(=O)O Amb27758197 [1,0,0,1,0,0|1,0,1]=4 984 B11R1.193 COC[C@H]1CCC[C@H]1C(=O)O Amb25295380 [1,0,0,1,0,0|1,0,1]=4 985 B11R1.193 O=C(O)C1CCCC1CCF Amb27635907 [1,0,0,1,0,0|1,0,1]=4 986 B11R1.204 CCCCC1=C(C(C)=O)CC1 Amb28080144 [1,0,0,1,0,0|1,0,1]=4 987 B11R1.204 CSCCC1CCC1C(=O)O Amb27986354 [1,0,0,1,0,0|1,0,1]=4 988 B11R1.241 CCC1CC1N\C=C\C(=O)O Amb28284841 [1,0,0,1,0,0|1,0,0]=3 989 B11R1.245 CCC1CCCC=CC(=O)C1 Amb27954110 [1,0,0,1,0,0|1,0,0]=3 990 B11R1.245 CCC1CCCCCC(=O)N1 Amb25313080 [1,0,0,1,0,0|1,0,1]=4 991 B11R1.271 CCC1CCN1CCC(=O)O Amb27986912 [1,0,0,1,0,0|1,0,1]=4 992 B11R1.706 CC(=O)C1=CCCCCCC1 Amb27473365 [1,0,0,1,0,0|1,0,0]=3 993 B11R1.706 CC(=O)C1CCCCCCC1 Amb25327542 [1,0,0,1,0,0|1,0,1]=4 994 B11R1.706 CC(C)=C1CCCCCCC1 Amb22356359 [1,0,0,1,0,0|2,0,0]=4 995 B11R1.706 C\C(O)=C1/C=CCCCCC1 Amb26494049 [1,0,0,1,0,0|1,0,1]=4 996 B11R1.706 O=C(Cl)C1CCCCCCC1 Amb25760237 [1,0,0,1,0,0|1,0,1]=4 997 B11R1.706 O=C(O)C1=CCCCCC=C1 Amb26452545 [1,0,0,1,0,0|0,0,2]=4 998 B11R1.706 O=C(O)C1C=CCCCCC1 Amb27401809 [1,0,0,1,0,0|0,0,2]=4 999 B11R1.706 O=C(O)C1CCCCCCC1 Amb18278612 [1,0,0,1,0,0|0,0,1]=3 1000 B11R1.706 O=C(O)C1CCCCCCN1 Amb27760420 [1,0,0,1,0,0|1,0,1]=4 1001 B11R1.706 O=C(O)C1CCCCCCN1 Amb28652940 [1,0,0,1,0,0|1,0,1]=4 1002 B11R1.706 O=C(O)C1CCCSCCC1 Amb28239756 [1,0,0,1,0,0|1,0,1]=4 1003 B11R1.706 OB(O)C1=CCCCCCC1 Amb27664628 [1,0,0,1,0,0|1,0,1]=4 1004 B11R1.742 CC(=O)C=C1CCCCCC1 Amb27948607 [1,0,0,1,0,0|1,0,0]=3 1005 B11R1.742 CC(=O)CC1CCCCCC1 Amb25094261 [1,0,0,1,0,0|1,0,1]=4 1006 B11R1.742 CC(=O)OC1CCCCCC1 Amb26487005 [1,0,0,1,0,0|2,0,0]=4 1007 B11R1.742 CC(=O)\C=C1\CCCSCC1 Amb35712539 [1,0,0,1,0,0|2,0,0]=4 1008 B11R1.742 NC(=O)CC1CCCCCC1 Amb24487974 [1,0,0,1,0,0|1,0,1]=4 1009 B11R1.742 NC(=O)NC1CCCCCC1 Amb4008281 [1,0,0,1,0,0|2,0,0]=4 1010 B11R1.742 O=C(Cl)NC1CCCCCC1 Amb35637080 [1,0,0,1,0,0|2,0,0]=4 1011 B11R1.742 O=C(Cl)OC1CCCCCC1 Amb28365356 [1,0,0,1,0,0|2,0,0]=4 1012 B11R1.742 O=C(O)C=C1CCCCCC1 Amb6749176 [1,0,0,1,0,0|0,0,0]=2 1013 B11R1.742 O=C(O)CC1CCCCCC1 Amb6749261 [1,0,0,1,0,0|0,0,1]=3 1014 B11R1.742 O=C(O)CC1CCCCCN1 Amb18199972 [1,0,0,1,0,0|1,0,1]=4 1015 B11R1.742 O=C(O)CC1CCCCCO1 Amb27823132 [1,0,0,1,0,0|1,0,1]=4 1016 B11R1.742 O=C(O)CC1CCCCNC1 Amb18199974 [1,0,0,1,0,0|1,0,1]=4 1017 B11R1.742 O=C(O)CC1CCCNCC1 Amb18199994 [1,0,0,1,0,0|1,0,1]=4 1018 B11R1.742 O=C(O)CC1CCCNCC1 Amb30584770 [1,0,0,1,0,0|1,0,1]=4 1019 B11R1.742 O=C(O)CC1CCCOCC1 Amb18199912 [1,0,0,1,0,0|1,0,1]=4 1020 B11R1.742 O=C(O)CC1CCCSCC1 Amb18197457 [1,0,0,1,0,0|1,0,1]=4 1021 B11R1.742 O=C(O)CN1CCCCCC1 Amb2536986 [1,0,0,1,0,0|1,0,1]=4 1022 B11R1.742 O=C(O)CN1CCCCCC1 Amb9677404 [1,0,0,1,0,0|1,0,1]=4 1023 B11R1.742 O=C(O)\C=C1\CCCOCC1 Amb28313065 [1,0,0,1,0,0|1,0,0]=3 1024 B11R1.742 O=C(O)\C=C1\CCCSCC1 Amb35691471 [1,0,0,1,0,0|1,0,0]=3 1025 B11R1.753 CCCCOC1CC1C(=O)O Amb9677555 [1,0,0,1,0,0|1,0,1]=4 1026 B11R1.4 CCCCCCc1cccs1 Amb6358035 [1,0,0,1,0,0|0,1,1]=4 1027 B11R1.4 CCCCNCc1ccco1 Amb1140392 [1,0,0,1,0,0|1,0,1]=4 1028 B11R1.4 CCCCNCc1ccco1 Amb6867989 [1,0,0,1,0,0|1,0,1]=4 1029 B11R1.4 CCCCOCc1ccco1 Amb24054478 [1,0,0,1,0,0|1,0,1]=4 1030 B11R1.4 NC\C=C\CCC1CCCC1 Amb33380270 [1,0,0,1,0,0|1,0,1]=4 1031 B11R1.4 O=CCCCCC1CCCC1 Amb33358714 [1,0,0,1,0,0|0,0,2]=4 1032 B11R1.4 O=C\C=C/CCC1OCCO1 Amb27443773 [1,0,0,1,0,0|2,0,0]=4 1033 B11R1.4 O=C\C=C\CCC1CCCC1 Amb33374529 [1,0,0,1,0,0|0,0,0]=2 1034 B11R1.4 O=C\C=C\CCN1CCCC1 Amb33275172 [1,0,0,1,0,0|1,0,0]=3 1035 B11R1.4 OC\C=C\CCC1CCCC1 Amb33374516 [1,0,0,1,0,0|0,0,1]=3 1036 B11R1.4 OC\C=C\CCN1CCCC1 Amb33275153 [1,0,0,1,0,0|1,0,1]=4 1037 B11R1.5 CC1CCCCC\C1=C/C#N Amb35611352 [1,0,0,1,0,0|1,0,1]=4 1038 B11R1.5 CC1CCCCC\C1=C/CN Amb35734031 [1,0,0,1,0,0|1,0,1]=4 1039 B11R1.17 C=C\C=C\[C@@H]1CCCC[C@H]1O Amb27184201 [1,0,0,1,0,0|2,0,0]=4 1040 B11R1.17 CC1CCCCC1OCC=O Amb18183071 [1,0,0,1,0,0|1,0,1]=4 1041 B11R1.17 CC1CCCCC1\C=C\C=O Amb24513220 [1,0,0,1,0,0|0,0,0]=2 1042 B11R1.17 CC1CCCCC1\C=C\CN Amb27262559 [1,0,0,1,0,0|1,0,1]=4 1043 B11R1.17 CCCCC1CCC=CC1O Amb27472611 [1,0,0,1,0,0|0,0,1]=3 1044 B11R1.17 CCCCC1CCCCC1=O Amb3940594 [1,0,0,1,0,0|0,0,2]=4 1045 B11R1.17 CN1CCCCC1\C=C\C=O Amb33322714 [1,0,0,1,0,0|1,0,0]=3 1046 B11R1.17 CN1CCCCC1\C=C\CO Amb33322712 [1,0,0,1,0,0|1,0,1]=4 1047 B11R1.18 C=C\C=C\[C@@H]1CCC[C@@H]1CO Amb27197466 [1,0,0,1,0,0|2,0,0]=4 1048 B11R1.26 CCC1CCCCCCC1=O Amb28284886 [1,0,0,1,0,0|0,0,2]=4 1049 B11R1.28 C=C\C=C\CC1CCCCC1 Amb28284960 [1,0,0,1,0,0|1,0,0]=3 1050 B11R1.28 CCCNCC1CCC=CO1 Amb18183022 [1,0,0,1,0,0|1,0,1]=4 1051 B11R1.28 C\C=C\C=C/C1CCCCC1 Amb22546610 [1,0,0,1,0,0|1,0,1]=4 1052 B11R1.28 C\C=C\C=N\C1CCCCC1 Amb27191584 [1,0,0,1,0,0|2,0,0]=4 1053 B11R1.28 ClC\C=C\CC1CCCCC1 Amb25724984 [1,0,0,1,0,0|1,0,1]=4 1054 B11R1.28 NC\C=C\CC1CCCCC1 Amb27191522 [1,0,0,1,0,0|1,0,1]=4 1055 B11R1.28 O=CCCCC1CCCCC1 Amb26998071 [1,0,0,1,0,0|0,0,2]=4 1056 B11R1.28 O=CNCCC1CCCCC1 Amb28293397 [1,0,0,1,0,0|1,0,1]=4 1057 B11R1.28 O=C\C=C\CC1CCCCC1 Amb33172261 [1,0,0,1,0,0|0,0,0]=2 1058 B11R1.28 OCCCCC1CC=CCO1 Amb28079971 [1,0,0,1,0,0|1,0,1]=4 1059 B11R1.28 OC\C=C\CC1CCCCC1 Amb33359221 [1,0,0,1,0,0|0,0,1]=3 1060 B11R1.28 OC\C=C\CN1CCCCC1 Amb26371355 [1,0,0,1,0,0|1,0,1]=4 1061 B11R1.28 O\N=C\CCC1CCCCC1 Amb27442803 [1,0,0,1,0,0|1,0,1]=4 1062 B11R1.41 CCC1CCCCN1CC=O Amb18799608 [1,0,0,1,0,0|1,0,1]=4 1063 B11R1.41 CCCC1CCCCN1C=O Amb24523123 [1,0,0,1,0,0|1,0,1]=4 1064 B11R1.41 CCCC1CCCC\C1=N/O Amb25992585 [1,0,0,1,0,0|1,0,1]=4 1065 B11R1.41 O=CCC1CCCC=C1C=O Amb18125437 [1,0,0,1,0,0|1,0,1]=4 1066 B11R1.41 OC\C=C1\CCCCC1CO Amb27833544 [1,0,0,1,0,0|1,0,1]=4 1067 B11R1.51 CCC1CCCCCC1C=O Amb35725693 [1,0,0,1,0,0|0,0,2]=4 1068 B11R1.51 CCC1CCCCC\C1=N/O Amb35681163 [1,0,0,1,0,0|1,0,1]=4 1069 B11R1.117 Br\C=C\C1CCCCCCC1 Amb33135178 [1,0,0,1,0,0|1,0,1]=4 1070 B11R1.117 N#CC=C1CCCCCCC1 Amb27494402 [1,0,0,1,0,0|1,0,1]=4 1071 B11R1.180 CCCCCC1C=CCC1=O Amb27672594 [1,0,0,1,0,0|0,0,2]=4 1072 B11R1.180 CCCCCC1CC=CC1=O Amb17843926 [1,0,0,1,0,0|0,0,0]=2 1073 B11R1.180 CCCCCC1CCCC1=O Amb534714 [1,0,0,1,0,0|0,0,2]=4 1074 B11R1.180 CCCCCC1COCC1=O Amb27672690 [1,0,0,1,0,0|1,0,1]=4 1075 B11R1.180 CCOCCC1CC=CC1=O Amb27672318 [1,0,0,1,0,0|1,0,0]=3 1076 B11R1.180 CC\C=C\CC1CC=CC1=O Amb26528317 [1,0,0,1,0,0|0,0,2]=4 1077 B11R1.180 CN1CCCC1C\C=C\C=O Amb33320706 [1,0,0,1,0,0|1,0,0]=3 1078 B11R1.180 CN1CCCC1C\C=C\CO Amb33320704 [1,0,0,1,0,0|1,0,1]=4 1079 B11R1.190 C=C\C=C\CCC1CCC1O Amb33213244 [1,0,0,1,0,0|2,0,0]=4 1080 B11R1.203 NC\C=C\C1CCCCCC1 Amb33222470 [1,0,0,1,0,0|1,0,1]=4 1081 B11R1.203 O=CCCC1CCCCCC1 Amb26946978 [1,0,0,1,0,0|0,0,2]=4 1082 B11R1.203 O=CCOC1CCCCCC1 Amb18183074 [1,0,0,1,0,0|1,0,1]=4 1083 B11R1.203 O=CNCC1CCCCCC1 Amb28193191 [1,0,0,1,0,0|1,0,1]=4 1084 B11R1.203 O=C\C=C\C1CCCCCC1 Amb33079648 [1,0,0,1,0,0|0,0,0]=2 1085 B11R1.203 OC\C=C\C1CCCCCC1 Amb33474211 [1,0,0,1,0,0|0,0,1]=3 1086 B11R1.248 O=CC1=CCCCCCCC1 Amb25172766 [1,0,0,1,0,0|0,0,0]=2 1087 B11R1.248 O=CC1CCCCCCCC1 Amb27215402 [1,0,0,1,0,0|0,0,2]=4 1088 B11R1.248 O\N=C1\CCCCCCCN1 Amb25696019 [1,0,0,1,0,0|2,0,0]=4 1089 B13R1.27 CCCCCCCc1nnc(N)o1 Amb7786452 [0,1,0,1,0,0|2,0,0]=4 1090 B13R1.27 CCCCCCCc1nnc(S)o1 Amb7802052 [0,1,0,1,0,0|1,1,0]=4 1091 B13R1.27 CCCCCCCn1ccc(N)n1 Amb18181455 [0,1,0,1,0,0|2,0,0]=4 1092 B13R1.27 CCCCCNCc1ccc(C)o1 Amb6688089 [0,1,0,1,0,0|1,0,1]=4 1093 B13R1.55 CCCCCC1=CC(O)=CC(=O)O1 Amb31272800 [0,1,0,1,0,0|0,0,2]=4 1094 B13R1.55 CCCCCC1CC(=O)C=C(C)C1 Amb20621710 [0,1,0,1,0,0|1,0,0]=3 1095 B13R1.55 CCCCCC1CC(=O)C=C(O)C1 Amb21962886 [0,1,0,1,0,0|1,0,0]=3 1096 B13R1.88 CCC1CCCCC1(N)CC(=O)O Amb24415698 [0,1,0,1,0,0|0,0,2]=4 1097 B13R1.190 CCCCCCC1CC(=O)OC1=O Amb33756887 [0,1,0,1,0,0|2,0,0]=4 1098 B13R1.190 CCCCCCC1OC(=O)CC1C Amb22001856 [0,1,0,1,0,0|0,0,2]=4 1099 B13R1.201 CC1CCCCC1C(N)CC(=O)O Amb27983852 [0,1,0,1,0,0|0,0,2]=4 1100 B13R1.201 CC1CCCCC1[C@@H](N)CC(=O)O Amb26537480 [0,1,0,1,0,0|0,0,2]=4 1101 B13R1.201 CC1CCCCC1[C@H](N)CC(=O)O Amb26451779 [0,1,0,1,0,0|0,0,2]=4 1102 B13R1.201 CC1CCCCN1C(=O)CC(=O)O Amb18284943 [0,1,0,1,0,0|1,0,1]=4 1103 B13R1.282 CC(=C/C(=O)O)\C=C1/CCCC1C Amb35691772 [0,1,0,1,0,0|0,0,2]=4 1104 B13R1.282 CC1CCCC1NC(=O)CC(=O)O Amb28317866 [0,1,0,1,0,0|1,0,1]=4 1105 B13R1.282 C\C(=C/C(=O)O)CN1CCCC1C Amb28123778 [0,1,0,1,0,0|1,0,0]=3 1106 B13R1.348 CC(=O)\C=C(\C)CC1CCCCC1 Amb35683550 [0,1,0,1,0,0|1,0,0]=3 1107 B13R1.348 CC(CC(=O)O)CC1CCCCC1 Amb32953558 [0,1,0,1,0,0|0,0,2]=4 1108 B13R1.348 C\C(=C/C(=O)O)CC1CCCCC1 Amb35662608 [0,1,0,1,0,0|0,0,0]=2 1109 B13R1.348 C\C(=C/C(=O)O)CN1CCNCC1 Amb27801760 [0,1,0,1,0,0|2,0,0]=4 1110 B13R1.348 C\C(=C/C(=O)O)CN1CCOCC1 Amb25234498 [0,1,0,1,0,0|2,0,0]=4 1111 B13R1.348 C\C(=C/C(=O)O)CN1CCOCC1 Amb32665017 [0,1,0,1,0,0|2,0,0]=4 1112 B13R1.348 C\C(=C/C(=O)O)CN1CCSCC1 Amb27588492 [0,1,0,1,0,0|2,0,0]=4 1113 B13R1.348 C\C(=C\C(C)O)CC1CCCCC1 Amb35672965 [0,1,0,1,0,0|1,0,1]=4 1114 B13R1.348 C\C(C=C1CCCCC1)=C\C(=O)O Amb27491016 [0,1,0,1,0,0|0,0,2]=4 1115 B13R1.348 NC(=O)NC(=O)CC1CCCCC1 Amb27606793 [0,1,0,1,0,0|2,0,0]=4 1116 B13R1.348 NC(CC(=O)O)CC1CCCCC1 Amb18822383 [0,1,0,1,0,0|0,0,2]=4 1117 B13R1.348 N[C@@H](CC(=O)O)CC1CCCCC1 Amb32757665 [0,1,0,1,0,0|0,0,2]=4 1118 B13R1.348 N[C@@H](CC(=O)O)CC1CCCCC1 Amb33038389 [0,1,0,1,0,0|0,0,2]=4 1119 B13R1.348 N[C@H](CC(=O)O)CC1CCCCC1 Amb33456114 [0,1,0,1,0,0|0,0,2]=4 1120 B13R1.348 N[C@H](CC(=O)O)CC1CCCCC1 Amb33457558 [0,1,0,1,0,0|0,0,2]=4 1121 B13R1.348 O=C(O)CC(=O)NC1CCCCC1 Amb17401050 [0,1,0,1,0,0|1,0,1]=4 1122 B13R1.348 O=C(O)CC(O)CC1CCCCC1 Amb33474067 [0,1,0,1,0,0|0,0,2]=4 1123 B13R1.348 O=C(O)C[C@@H](O)CC1CCCCC1 Amb33429766 [0,1,0,1,0,0|0,0,2]=4 1124 B13R1.348 O=C(O)C[C@H](O)CC1CCCCC1 Amb33224869 [0,1,0,1,0,0|0,0,2]=4 1125 B13R1.373 CCCN1CCC\C(=C/C(=O)O)C1 Amb31185781 [0,1,0,1,0,0|1,0,0]=3 1126 B13R1.373 CCOC1=C\C(=C\C(=O)O)CCC1 Amb17594686 [0,1,0,1,0,0|1,0,1]=4 1127 B13R1.593 CC(=C\C(=O)O)\C=C\C1CCCC1 Amb35691773 [0,1,0,1,0,0|0,0,2]=4 1128 B13R1.593 CC(CCC1CCCC1)CC(=O)O Amb33172403 [0,1,0,1,0,0|0,0,2]=4 1129 B13R1.593 NC(CCC1CCCC1)CC(=O)O Amb33481442 [0,1,0,1,0,0|0,0,2]=4 1130 B13R1.593 O=C(O)CC(O)CCC1CCCC1 Amb33374559 [0,1,0,1,0,0|0,0,2]=4 1131 B13R1.593 O=C(O)C[C@@H](O)CCC1CCCC1 Amb33374558 [0,1,0,1,0,0|0,0,2]=4 1132 B13R1.593 O=C(O)C[C@H](O)CCC1CCCC1 Amb33481206 [0,1,0,1,0,0|0,0,2]=4 1133 B13R1.775 C[C@H]1CCCCC[C@H](O)CC(=O)O1 Amb27467919 [0,1,0,1,0,0|0,0,2]=4 1134 B13R1.1107 O=C(O)CC1=CCCCCCCC1 Amb28324566 [0,1,0,1,0,0|0,0,0]=2 1135 B13R1.2020 NC1(CC(=O)O)CCCCCCC1 Amb22641941 [0,1,0,1,0,0|0,0,2]=4 1136 B13R1.2020 NC1(CC(=O)O)CCCCCCC1 Amb31307619 [0,1,0,1,0,0|0,0,2]=4 1137 B13R1.3765 CC1CCCCCC1(N)CC(=O)O Amb33255481 [0,1,0,1,0,0|0,0,2]=4 1138 B13R1.3765 CC1CCCCCC1(O)CC(=O)O Amb35718034 [0,1,0,1,0,0|0,0,2]=4 1139 B13R1.3816 N[C@H]1CCCCCCC=C1C(=O)O Amb27863463 [0,1,0,1,0,0|0,0,0]=2 1140 B13R1.3816 O=C(O)C1=CCCCCCCC1O Amb28119812 [0,1,0,1,0,0|0,0,0]=2 1141 B13R1.7456 CC(CC(=O)O)C1CCCCCC1 Amb18191560 [0,1,0,1,0,0|0,0,2]=4 1142 B13R1.7456 CN(CC(=O)O)C1CCCCCC1 Amb9266116 [0,1,0,1,0,0|1,0,1]=4 1143 B13R1.7456 NC(=O)NC(=O)C1CCCCCC1 Amb28059037 [0,1,0,1,0,0|2,0,0]=4 1144 B13R1.7456 NC(CC(=O)O)C1CCCCCC1 Amb28243685 [0,1,0,1,0,0|0,0,2]=4 1145 B13R1.7456 NC(CC(=O)O)C1CCCCCC1 Amb33184712 [0,1,0,1,0,0|0,0,2]=4 1146 B13R1.7456 N[C@@H](CC(=O)O)C1CCCCCC1 Amb26037948 [0,1,0,1,0,0|0,0,2]=4 1147 B13R1.7456 N[C@H](CC(=O)O)C1CCCCCC1 Amb25266526 [0,1,0,1,0,0|0,0,2]=4 1148 B13R1.7456 O=C(O)CC(=O)N1CCCCCC1 Amb17401052 [0,1,0,1,0,0|1,0,1]=4 1149 B13R1.7456 O=C(O)CC(O)C1CCCCCC1 Amb33171812 [0,1,0,1,0,0|0,0,2]=4 1150 B13R1.7456 O=C(O)C[C@@H](O)C1CCCCCC1 Amb33267304 [0,1,0,1,0,0|0,0,2]=4 1151 B13R1.7456 O=C(O)C[C@H](O)C1CCCCCC1 Amb33267305 [0,1,0,1,0,0|0,0,2]=4 1152 B13R1.128 CC1CCC(CCCCC(=O)O)C1 Amb33229248 [0,1,0,1,0,0|0,0,2]=4 1153 B13R1.128 CC1CCC(CN\C=C\C(=O)O)C1 Amb27434945 [0,1,0,1,0,0|1,0,0]=3 1154 B13R1.128 CC1CCC(CN\C=C\C(=O)O)O1 Amb28067925 [0,1,0,1,0,0|1,0,0]=3 1155 B13R1.128 CN1CCC(CN\C=C\C(=O)O)C1 Amb27601141 [0,1,0,1,0,0|2,0,0]=4 1156 B13R1.158 CC(=O)\C=C\CC1CCCCC1=O Amb26570833 [0,1,0,1,0,0|1,0,1]=4 1157 B13R1.158 CC1CCCCC1NCCC(=O)O Amb7755666 [0,1,0,1,0,0|0,0,2]=4 1158 B13R1.158 CC1CCCCN1CCCC(=O)O Amb5761440 [0,1,0,1,0,0|0,0,2]=4 1159 B13R1.158 CC1COCCN1C\C=C\C(=O)O Amb18988790 [0,1,0,1,0,0|1,0,0]=3 1160 B13R1.158 CC1COCC\C1=C/C=C/C(=O)O Amb27952534 [0,1,0,1,0,0|0,0,2]=4 1161 B13R1.158 CC1SCCC\C1=C/C=C/C(=O)O Amb27486767 [0,1,0,1,0,0|0,0,2]=4 1162 B13R1.158 CN1CCCCC1CCCC(=O)O Amb33322459 [0,1,0,1,0,0|0,0,2]=4 1163 B13R1.158 CN1CCCCC1CNCC(=O)O Amb18313080 [0,1,0,1,0,0|1,0,1]=4 1164 B13R1.158 CN1CCCCC1COCC(=O)O Amb8010336 [0,1,0,1,0,0|1,0,1]=4 1165 B13R1.158 C[C@H]1CCCC[C@@H]1\C=N\NC(N)=O Amb27227968 [0,1,0,1,0,0|2,0,0]=4 1166 B13R1.337 CC(=O)N\N=C\CC1CCCCC1 Amb27256191 [0,1,0,1,0,0|2,0,0]=4 1167 B13R1.337 CC(=O)\C=C\C=C\C1CCCCC1 Amb28283149 [0,1,0,1,0,0|1,0,1]=4 1168 B13R1.337 CC(=O)\C=C\CCN1CCOCC1 Amb33324097 [0,1,0,1,0,0|2,0,0]=4 1169 B13R1.337 O=C(O)C#CCCC1CCCCC1 Amb27947677 [0,1,0,1,0,0|0,0,2]=4 1170 B13R1.337 O=C(O)CCCCC1CCCCC1 Amb22336378 [0,1,0,1,0,0|0,0,2]=4 1171 B13R1.337 O=C(O)CCCCC1CCCCN1 Amb32430376 [0,1,0,1,0,0|0,0,2]=4 1172 B13R1.337 O=C(O)CCCCC1CCCOC1 Amb33229244 [0,1,0,1,0,0|0,0,2]=4 1173 B13R1.337 O=C(O)CCCCC1CCOCC1 Amb33229243 [0,1,0,1,0,0|0,0,2]=4 1174 B13R1.337 O=C(O)CCCCN1CCCCC1 Amb19373622 [0,1,0,1,0,0|0,0,2]=4 1175 B13R1.337 O=C(O)CCCSC1CCCCC1 Amb32411477 [0,1,0,1,0,0|0,0,2]=4 1176 B13R1.337 O=C(O)CCNCC1CCCCC1 Amb8830821 [0,1,0,1,0,0|0,0,2]=4 1177 B13R1.337 O=C(O)CCSCC1CCCCC1 Amb6260195 [0,1,0,1,0,0|0,0,2]=4 1178 B13R1.337 O=C(O)CNCCN1CCCCC1 Amb9325913 [0,1,0,1,0,0|1,0,1]=4 1179 B13R1.337 O=C(O)CN\C=N\C1CCCCC1 Amb27848052 [0,1,0,1,0,0|1,0,1]=4 1180 B13R1.337 O=C(O)COCCC1CCCCN1 Amb18628209 [0,1,0,1,0,0|1,0,1]=4 1181 B13R1.337 O=C(O)COCCN1CCCCC1 Amb33620646 [0,1,0,1,0,0|1,0,1]=4 1182 B13R1.337 O=C(O)COCCN1CCCCC1 Amb33732301 [0,1,0,1,0,0|1,0,1]=4 1183 B13R1.337 O=C(O)CSCCN1CCCCC1 Amb6745655 [0,1,0,1,0,0|1,0,1]=4 1184 B13R1.337 O=C(O)\C=C/C#CC1CCCCC1 Amb27179207 [0,1,0,1,0,0|0,0,1]=3 1185 B13R1.337 O=C(O)\C=C\C=C\C1CCCCC1 Amb27444584 [0,1,0,1,0,0|0,0,1]=3 1186 B13R1.337 O=C(O)\C=C\C=C\C1CCCCO1 Amb35634611 [0,1,0,1,0,0|0,0,2]=4 1187 B13R1.337 O=C(O)\C=C\C=C\C1CCCOC1 Amb28366583 [0,1,0,1,0,0|0,0,2]=4 1188 B13R1.337 O=C(O)\C=C\C=C\C1CCNCC1 Amb27983708 [0,1,0,1,0,0|0,0,2]=4 1189 B13R1.337 O=C(O)\C=C\CCC1CCCCC1 Amb33470091 [0,1,0,1,0,0|0,0,0]=2 1190 B13R1.337 O=C(O)\C=C\CCN1CCOCC1 Amb33326152 [0,1,0,1,0,0|1,0,0]=3 1191 B13R1.337 O=C(O)\C=C\COC1CCOCC1 Amb18308411 [0,1,0,1,0,0|1,0,0]=3 1192 B13R1.337 O=C(O)\C=C\NCC1CCCOC1 Amb27851212 [0,1,0,1,0,0|1,0,0]=3 1193 B13R1.337 O=C(O)\C=C\NCC1CCCSC1 Amb27607269 [0,1,0,1,0,0|1,0,0]=3 1194 B13R1.337 O=C(O)\C=C\NCC1CCSCC1 Amb27247856 [0,1,0,1,0,0|1,0,0]=3 1195 B13R1.337 O=C(O)\C=C\NCC1COCCO1 Amb27628785 [0,1,0,1,0,0|2,0,0]=4 1196 B13R1.568 CCCCC1CCCC(C(=O)O)N1 Amb33500856 [0,1,0,1,0,0|0,0,2]=4 1197 B13R1.568 CCCCC1CCNC(C(=O)O)C1 Amb33500848 [0,1,0,1,0,0|1,0,1]=4 1198 B13R1.893 CC1CCC(C)C(OCC(=O)O)C1 Amb32946296 [0,1,0,1,0,0|1,0,1]=4 1199 B13R1.893 CC1CCC(C)N(\C=C\C(=O)O)C1 Amb27618100 [0,1,0,1,0,0|1,0,0]=3 1200 B13R1.893 CC1CCC(O)CN1\C=C\C(=O)O Amb27874298 [0,1,0,1,0,0|1,0,0]=3 1201 B13R1.893 C[C@@H]1CC[C@@H](O)CN1\C=C\C(=O)O Amb29866110 [0,1,0,1,0,0|1,0,0]=3 1202 B13R1.2068 O=C(O)\C=C\N1CC(O)CC1CO Amb30040306 [0,1,0,1,0,0|2,0,0]=4 1203 B13R1.3501 CC1COCCN(\C=C\C(=O)O)C1 Amb28058172 [0,1,0,1,0,0|2,0,0]=4 1204 B13R1.3501 O=C(O)\C=C\N1CCOCC(O)C1 Amb27976278 [0,1,0,1,0,0|2,0,0]=4 1205 B13R1.3803 O=C1CCCCCC(O)CCCO1 Amb28205496 [0,1,0,1,0,0|0,0,2]=4 1206 B13R1.7746 CC1(CN\C=C\C(=O)O)CCCC1 Amb28315373 [0,1,0,1,0,0|1,0,0]=3 1207 B13R1.7746 CC1(CN\C=C\C(=O)O)CCCS1 Amb27880265 [0,1,0,1,0,0|2,0,0]=4 1208 B13R1.7746 O=C(O)\C=C\NCC1(O)CCOC1 Amb27618018 [0,1,0,1,0,0|2,0,0]=4 1209 B13R1.60 CCC1CC(N\C=C\C(=O)O)CO1 Amb35614860 [0,1,0,1,0,0|2,0,0]=4 1210 B13R1.150 CC1CCCC(NCC(=O)O)C1C Amb7766543 [0,1,0,1,0,0|1,0,1]=4 1211 B13R1.150 CC1CCCC(OCC(=O)O)C1C Amb32946293 [0,1,0,1,0,0|1,0,1]=4 1212 B13R1.150 CC1CCCN(\C=C\C(=O)O)C1C Amb27415929 [0,1,0,1,0,0|1,0,0]=3 1213 B13R1.513 C=C1CCN(C\C=C\C(=O)O)CC1 Amb27434637 [0,1,0,1,0,0|1,0,1]=4 1214 B13R1.513 CC1CCC(=C\C=C\C(=O)O)CC1 Amb27477891 [0,1,0,1,0,0|0,0,2]=4 1215 B13R1.513 CC1CCC(CCCC(=O)O)CC1 Amb33449764 [0,1,0,1,0,0|0,0,2]=4 1216 B13R1.513 CC1CCC(N\C=C\C(=O)O)CC1 Amb27855819 [0,1,0,1,0,0|1,0,0]=3 1217 B13R1.513 CC1CCC(N\C=C\C(=O)O)CO1 Amb30018151 [0,1,0,1,0,0|2,0,0]=4 1218 B13R1.513 CC1CCC(N\C=C\C(=O)O)CS1 Amb30016551 [0,1,0,1,0,0|2,0,0]=4 1219 B13R1.513 CN1CCN(C\C=C\C(=O)O)CC1 Amb18296435 [0,1,0,1,0,0|2,0,0]=4 1220 B13R1.513 NC1CCN(C\C=C\C(=O)O)CC1 Amb18296458 [0,1,0,1,0,0|1,0,0]=3 1221 B13R1.513 O=C(O)\C=C\CN1CCC(=O)CC1 Amb18988791 [0,1,0,1,0,0|1,0,1]=4 1222 B13R1.513 O=C(O)\C=C\CN1CCC(F)CC1 Amb35592094 [0,1,0,1,0,0|1,0,0]=3 1223 B13R1.513 O=C(O)\C=C\CN1CCC(O)CC1 Amb18988787 [0,1,0,1,0,0|1,0,0]=3 1224 B13R1.513 O=C(O)\C=C\CN1CCS(=O)CC1 Amb18988793 [0,1,0,1,0,0|2,0,0]=4 1225 B13R1.513 O=C(O)\C=C\NC1CCS(=O)CC1 Amb27610205 [0,1,0,1,0,0|2,0,0]=4 1226 B13R1.643 CCC1CCCC(OCC(=O)O)C1 Amb32946267 [0,1,0,1,0,0|1,0,1]=4 1227 B13R1.643 CCC1CCCC(\C=C\C(=O)O)C1 Amb27847785 [0,1,0,1,0,0|0,0,0]=2 1228 B13R1.3796 CN1CCCN(\C=C\C(=O)O)CC1 Amb27808020 [0,1,0,1,0,0|2,0,0]=4 1229 B13R1.7544 CC1CCN(C\C=C\C(=O)O)C1C Amb27659088 [0,1,0,1,0,0|1,0,0]=3 1230 B13R1.7544 CC1OCC(N\C=C\C(=O)O)C1C Amb29856534 [0,1,0,1,0,0|2,0,0]=4 1231 B13R1.23 CCCCCC(N)c1ccc(C)o1 Amb18805361 [0,1,0,1,0,0|1,0,1]=4 1232 B13R1.149 C=C1CCCN(C\C=C\C(=O)O)C1 Amb35614204 [0,1,0,1,0,0|1,0,1]=4 1233 B13R1.149 CC1CC(N\C=C\C(=O)O)CCO1 Amb28047014 [0,1,0,1,0,0|2,0,0]=4 1234 B13R1.149 CC1CCCC(S\C=C\C(=O)O)C1 Amb28079429 [0,1,0,1,0,0|1,0,0]=3 1235 B13R1.149 CC1CCCN(C\C=C\C(=O)O)C1 Amb18296442 [0,1,0,1,0,0|1,0,0]=3 1236 B13R1.149 CC1CN(C\C=C\C(=O)O)CCO1 Amb18296444 [0,1,0,1,0,0|2,0,0]=4 1237 B13R1.149 O=C(O)\C=C\CN1CCCC(F)C1 Amb30028500 [0,1,0,1,0,0|1,0,0]=3 1238 B13R1.149 O=C(O)\C=C\CN1CCCC(O)C1 Amb18988792 [0,1,0,1,0,0|1,0,0]=3 1239 B13R1.280 CC(=O)\C=C\C1=CCCCCC1C Amb27212470 [0,1,0,1,0,0|1,0,1]=4 1240 B13R1.280 CC1CCCCCN1\C=C\C(=O)O Amb27415974 [0,1,0,1,0,0|0,0,0]=2 1241 B13R1.280 CC1CCCCC\C1=N/NC(N)=O Amb27878622 [0,1,0,1,0,0|2,0,0]=4 1242 B13R1.280 CC1COCCCN1\C=C\C(=O)O Amb28056230 [0,1,0,1,0,0|1,0,0]=3 1243 B13R1.280 CN1CCCCCC1CCC(=O)O Amb18191306 [0,1,0,1,0,0|0,0,2]=4 1244 B13R1.280 O=C(O)CNC1CCCCCC1O Amb28315346 [0,1,0,1,0,0|1,0,1]=4 1245 B13R1.280 O=C(O)CSC1CCCCCC1O Amb27401645 [0,1,0,1,0,0|1,0,1]=4 1246 B13R1.658 CCCCCc1nc(C(=O)O)cs1 Amb17205281 [0,1,0,1,0,0|1,0,1]=4 1247 B13R1.658 CCCCCc1ncc(C(=O)O)s1 Amb33719164 [0,1,0,1,0,0|1,0,1]=4 1248 B13R1.1988 NC(=O)N\N=C\C1CCCCCC1 Amb27666989 [0,1,0,1,0,0|2,0,0]=4 1249 B13R1.1988 O=C(O)C#CCC1CCCCCC1 Amb27238099 [0,1,0,1,0,0|0,0,2]=4 1250 B13R1.1988 O=C(O)CCCC1CCCCCC1 Amb33470260 [0,1,0,1,0,0|0,0,2]=4 1251 B13R1.1988 O=C(O)CCCN1CCCCCC1 Amb10072744 [0,1,0,1,0,0|0,0,2]=4 1252 B13R1.1988 O=C(O)CCCN1CCCCCC1 Amb5501646 [0,1,0,1,0,0|0,0,2]=4 1253 B13R1.1988 O=C(O)\C=C\C=C1\CCCOCC1 Amb27465243 [0,1,0,1,0,0|0,0,2]=4 1254 B13R1.1988 O=C(O)\C=C\C=C1\CCCSCC1 Amb35691477 [0,1,0,1,0,0|0,0,2]=4 1255 B13R1.1988 O=C(O)\C=C\CC1CCCCCC1 Amb26047869 [0,1,0,1,0,0|0,0,0]=2 1256 B13R1.1988 O=C(O)\C=C\CN1CCCCCC1 Amb18296443 [0,1,0,1,0,0|0,0,0]=2 1257 B13R1.1988 O=C(O)\C=C\CN1CCCNCC1 Amb18296457 [0,1,0,1,0,0|1,0,0]=3 1258 B13R1.1988 O=C(O)\C=C\NC1CCCSCC1 Amb35718598 [0,1,0,1,0,0|1,0,0]=3 1259 B13R1.3100 CCC1CCC(C)N1\C=C\C(=O)O Amb27605600 [0,1,0,1,0,0|1,0,0]=3 1260 B13R1.3566 CC1OCCC1(C)N\C=C\C(=O)O Amb27475830 [0,1,0,1,0,0|2,0,0]=4 1261 B13R1.3787 C=C1CCCC(C)C1\C=C\C(C)=O Amb25735063 [0,1,0,1,0,0|1,0,1]=4 1262 B13R1.3787 CC1=CCCC(C)C1\C=C\C(=O)O Amb26863752 [0,1,0,1,0,0|0,0,2]=4 1263 B13R1.3787 CC1CCCC(C)N1\C=C\C(=O)O Amb28347828 [0,1,0,1,0,0|1,0,0]=3 1264 B13R1.3792 CC1CCCC(C)N(CC(=O)O)C1 Amb28293806 [0,1,0,1,0,0|1,0,1]=4 1265 B13R1.5134 CC1(CCCC(=O)O)CCCCC1 Amb33449448 [0,1,0,1,0,0|0,0,2]=4 1266 B13R1.6 CCCCCCC1CCCC(=O)O1 Amb9825889 [0,1,0,1,0,0|0,0,2]=4 1267 B13R1.90 CCC1CCCCC1OCC(=O)O Amb6281025 [0,1,0,1,0,0|0,0,2]=4 1268 B13R1.90 CCC1CCCCC1\C=C\C(=O)O Amb27626367 [0,1,0,1,0,0|0,0,0]=2 1269 B13R1.90 CCC1CCCCN1CCC(=O)O Amb21955365 [0,1,0,1,0,0|0,0,2]=4 1270 B13R1.90 CCC1CCCCN1CCC(=O)O Amb5760925 [0,1,0,1,0,0|0,0,2]=4 1271 B13R1.90 CCC1CCCCN1\C=C\C(=O)O Amb27415872 [0,1,0,1,0,0|0,0,0]=2 1272 B13R1.90 CCC1CCCC\C1=N/NC(C)=O Amb28398717 [0,1,0,1,0,0|2,0,0]=4 1273 B13R1.90 CCC1COCCN1\C=C\C(=O)O Amb27883692 [0,1,0,1,0,0|1,0,0]=3 1274 B13R1.90 COC1CCCCC1NCC(=O)O Amb9640481 [0,1,0,1,0,0|1,0,1]=4 1275 B13R1.90 O=C(O)\C=C\N1CCCCC1CO Amb27480175 [0,1,0,1,0,0|1,0,0]=3 1276 B13R1.90 O=C(O)\C=C\N1CCSCC1CO Amb27472276 [0,1,0,1,0,0|2,0,0]=4 1277 B13R1.103 CCC1COCC1N\C=C\C(=O)O Amb35613320 [0,1,0,1,0,0|1,0,0]=3 1278 B13R1.103 CCC1COC\C1=C/C=C/C(=O)O Amb35631911 [0,1,0,1,0,0|0,0,2]=4 1279 B13R1.103 CSC1CCCC1N\C=C\C(=O)O Amb27776670 [0,1,0,1,0,0|1,0,0]=3 1280 B13R1.103 O=C(O)\C=C\NC1CCCC1CO Amb27869096 [0,1,0,1,0,0|1,0,0]=3 1281 B13R1.103 O=C(O)\C=C\N[C@H]1CCC[C@H]1CO Amb27659512 [0,1,0,1,0,0|1,0,0]=3 1282 B13R1.167 CN1CCCC1CCCCC(=O)O Amb33320357 [0,1,0,1,0,0|0,0,2]=4 1283 B13R1.279 O=C1C=CCCCCCCCC=C1 Amb28141306 [0,1,0,1,0,0|1,0,0]=3 1284 B13R1.283 NC1CCCCCCC1CC(=O)O Amb32863475 [0,1,0,1,0,0|0,0,2]=4 1285 B13R1.343 O=C(O)CCCCCC1CCCC1 Amb33172440 [0,1,0,1,0,0|0,0,2]=4 1286 B13R1.343 O=C(O)CCCCCN1CCCC1 Amb32953909 [0,1,0,1,0,0|0,0,2]=4 1287 B13R1.343 O=C(O)CCCCOC1CCCC1 Amb9207783 [0,1,0,1,0,0|0,0,2]=4 1288 B13R1.343 O=C(O)CNCCCN1CCCC1 Amb19058449 [0,1,0,1,0,0|1,0,1]=4 1289 B13R1.380 COCC1CCCCN1CC(=O)O Amb21865524 [0,1,0,1,0,0|1,0,1]=4 1290 B13R1.380 O=C(O)CN1CCCCC1CCO Amb6651199 [0,1,0,1,0,0|1,0,1]=4 1291 B13R1.392 CCCC1CCC\C1=N/NC(N)=O Amb27876084 [0,1,0,1,0,0|2,0,0]=4 1292 B13R1.572 CCCCC1CCCNC1C(=O)O Amb33500830 [0,1,0,1,0,0|0,0,2]=4 1293 B13R1.572 CCCCC1CCNCC1C(=O)O Amb33500858 [0,1,0,1,0,0|0,0,2]=4 1294 B13R1.572 CCCCC1CNCCC1C(=O)O Amb33500839 [0,1,0,1,0,0|0,0,2]=4 1295 B13R1.572 CCCCC1NCCCC1C(=O)O Amb33500838 [0,1,0,1,0,0|0,0,2]=4 1296 B13R1.572 CCCCN1CCCCC1C(=O)O Amb13886354 [0,1,0,1,0,0|0,0,2]=4 1297 B13R1.572 CCCCN1CCCCC1C(=O)O Amb2382770 [0,1,0,1,0,0|0,0,2]=4 1298 B13R1.610 CCC1CCCCCC1CC(=O)O Amb35721706 [0,1,0,1,0,0|0,0,2]=4 1299 B13R1.610 CCC1CCCCC\C1=C/C(=O)O Amb35721261 [0,1,0,1,0,0|0,0,0]=2 1300 B13R1.610 CCC1CCCCC\C1=C/C(C)=O Amb35734056 [0,1,0,1,0,0|1,0,0]=3 1301 B13R1.610 CCC1CCCCC\C1=C/C(C)O Amb35672745 [0,1,0,1,0,0|1,0,1]=4 1302 B13R1.610 CC[C@@H]1NCCCC[C@H]1CC(=O)O Amb18191310 [0,1,0,1,0,0|0,0,2]=4 1303 B13R1.610 COC1CCCCCC1CC(=O)O Amb18822015 [0,1,0,1,0,0|0,0,2]=4 1304 B13R1.614 CCN1CCCCCCC1C(=O)O Amb28249659 [0,1,0,1,0,0|0,0,2]=4 1305 B13R1.670 CCCCCc1ccsc1C(=O)O Amb32751809 [0,1,0,1,0,0|0,0,2]=4 1306 B13R1.670 CCCCCc1scnc1C(=O)O Amb3938736 [0,1,0,1,0,0|1,0,1]=4 1307 B13R1.670 CCCCCn1nncc1C(=O)O Amb17535386 [0,1,0,1,0,0|2,0,0]=4 1308 B13R1.1009 O=C(O)C1CCCCCCCCN1 Amb27392275 [0,1,0,1,0,0|0,0,2]=4 1309 B13R1.1022 CC(=O)NN=C1CCCCCCC1 Amb982254 [0,1,0,1,0,0|2,0,0]=4 1310 B13R1.1022 CC(=O)\N=C\C1CCCCCCC1 Amb26953639 [0,1,0,1,0,0|1,0,1]=4 1311 B13R1.1022 NC(=O)NN=C1CCCCCCC1 Amb4005883 [0,1,0,1,0,0|2,0,0]=4 1312 B13R1.1022 NC(=O)\C=C\C1CCCCCCC1 Amb25791108 [0,1,0,1,0,0|1,0,0]=3 1313 B13R1.1022 O=C(O)CCC1CCCCCCC1 Amb27605503 [0,1,0,1,0,0|0,0,2]=4 1314 B13R1.1022 O=C(O)CCN1CCCCCCC1 Amb21955684 [0,1,0,1,0,0|0,0,2]=4 1315 B13R1.1022 O=C(O)CCN1CCCCCCC1 Amb6646779 [0,1,0,1,0,0|0,0,2]=4 1316 B13R1.1022 O=C(O)COC1CCCCCCC1 Amb28385714 [0,1,0,1,0,0|0,0,2]=4 1317 B13R1.1022 O=C(O)\C=C/C1=CCCCCCC1 Amb27592123 [0,1,0,1,0,0|0,0,1]=3 1318 B13R1.1022 O=C(O)\C=C\C1CCCCCCC1 Amb24397482 [0,1,0,1,0,0|0,0,0]=2 1319 B13R1.1052 O=C(O)CCCCCCCC1CC1 Amb33167110 [0,1,0,1,0,0|0,0,2]=4 1320 B13R1.91 CCC1CCCCC1\C=C(\C)CO Amb27222932 [0,1,0,1,0,0|1,0,1]=4 1321 B13R1.91 CCC1CCCC\C1=C/C(=O)OC Amb27803102 [0,1,0,1,0,0|0,0,0]=2 1322 B13R1.91 CCC1CCCC\C1=C\C(=O)OC Amb33468675 [0,1,0,1,0,0|0,0,0]=2 1323 B13R1.91 COC(=O)\C=C1/CCOCC1OC Amb28062641 [0,1,0,1,0,0|2,0,0]=4 1324 B13R1.91 COC(=O)\C=C1\CCCCC1OC Amb33472183 [0,1,0,1,0,0|1,0,0]=3 1325 B13R1.189 CCCCOCc1ccc(C=O)o1 Amb2795942 [0,1,0,1,0,0|1,0,1]=4 1326 B13R1.203 O=C1CCCCCCCCCC1O Amb28282020 [0,1,0,1,0,0|0,0,2]=4 1327 B13R1.382 CCCC1CCC=CN1C(=O)OC Amb24060025 [0,1,0,1,0,0|1,0,1]=4 1328 B13R1.527 COC(=O)\C=C1\CCCCCC1C Amb35721700 [0,1,0,1,0,0|0,0,0]=2 1329 B13R1.528 COC(=O)COC1CCCCC1C Amb9206376 [0,1,0,1,0,0|1,0,1]=4 1330 B13R1.528 COC(=O)NCC1CCCCC1C Amb28351017 [0,1,0,1,0,0|1,0,1]=4 1331 B13R1.528 COC(=O)\C=C\[C@@H]1OCCC[C@H]1O Amb27207732 [0,1,0,1,0,0|2,0,0]=4 1332 B13R1.528 COC(=O)\C=C\[C@H]1OCCC[C@H]1O Amb27775968 [0,1,0,1,0,0|2,0,0]=4 1333 B13R1.599 COC(=O)\C=C\NC1COCC1C Amb29878433 [0,1,0,1,0,0|2,0,0]=4 1334 B13R1.623 OCC1C=CCCCCCCCC1 Amb27651764 [0,1,0,1,0,0|1,0,1]=4 1335 B13R1.718 COC(=O)C#CCC1CCCCC1 Amb27798236 [0,1,0,1,0,0|0,0,2]=4 1336 B13R1.718 COC(=O)\C=C\NC1CCCSC1 Amb28042604 [0,1,0,1,0,0|2,0,0]=4 1337 B13R1.718 COC(=O)\C=C\NC1CCSCC1 Amb27247193 [0,1,0,1,0,0|2,0,0]=4 1338 B13R1.1711 COC(=O)C#CC1CCCCCC1 Amb25278204 [0,1,0,1,0,0|0,0,2]=4 1339 B13R1.1711 COC(=O)\C=C\N1CCCNCC1 Amb28347829 [0,1,0,1,0,0|2,0,0]=4 1340 B13R1.1711 COC(=O)\C=C\N1CCCOCC1 Amb27406183 [0,1,0,1,0,0|2,0,0]=4 1341 B13R1.1711 O=C(CO)CC=C1CCCCCC1 Amb22363899 [0,1,0,1,0,0|0,0,2]=4 1342 B13R1.1870 COC(=O)C=C1CCCCCCC1 Amb25180453 [0,1,0,1,0,0|0,0,0]=2 1343 B13R1.1870 COC(=O)CN1CCCCCCC1 Amb7761444 [0,1,0,1,0,0|1,0,1]=4 1344 B13R1.1870 COC(=O)NC1CCCCCCC1 Amb17739564 [0,1,0,1,0,0|1,0,1]=4 1345 B13R1.1870 COC(=O)OC1CCCCCCC1 Amb25782061 [0,1,0,1,0,0|1,0,1]=4 1346 B13R1.1870 C\C(C=O)=C/C1CCCCCCC1 Amb27586948 [0,1,0,1,0,0|1,0,1]=4 1347 B13R1.1870 O=C(CO)NC1CCCCCCC1 Amb5798096 [0,1,0,1,0,0|1,0,1]=4 1348 B13R1.1870 O=C(CO)OC1CCCCCCC1 Amb28249413 [0,1,0,1,0,0|1,0,1]=4 1349 B13R1.3440 CCCCCCC1C=CC(N)=C1N Amb30594889 [0,1,0,1,0,0|2,0,0]=4 1350 B13R1.89 CCC1CCCCC1C(=O)C(=O)O Amb27786999 [0,1,0,1,0,0|0,0,1]=3 1351 B13R1.89 CCC1CCCCC1C(F)C(=O)O Amb28282175 [0,1,0,1,0,0|0,0,2]=4 1352 B13R1.89 CCC1CCCCC1[C@@H](N)C(=O)O Amb26350175 [0,1,0,1,0,0|0,0,2]=4 1353 B13R1.89 CCC1CCCCC1[C@H](N)C(=O)O Amb28136297 [0,1,0,1,0,0|0,0,2]=4 1354 B13R1.89 CCC1CCCCN1C(=O)C(=O)O Amb9304054 [0,1,0,1,0,0|1,0,0]=3 1355 B13R1.89 COC1CCCC\C1=C(\F)C(=O)O Amb27166786 [0,1,0,1,0,0|1,0,0]=3 1356 B13R1.89 O=C(O)C(=O)N1CCCCC1CO Amb18954511 [0,1,0,1,0,0|2,0,0]=4 1357 B13R1.169 CN1CCCC1CCC(=O)C(=O)O Amb33321405 [0,1,0,1,0,0|1,0,1]=4 1358 B13R1.169 C\C(=C\CN1CCCC1C)C(=O)O Amb27835558 [0,1,0,1,0,0|1,0,0]=3 1359 B13R1.169 NC1CCCC1CNC(=O)C(=O)O Amb27763590 [0,1,0,1,0,0|2,0,0]=4 1360 B13R1.202 CC1CCCCC1CC(=O)C(=O)O Amb27645540 [0,1,0,1,0,0|0,0,1]=3 1361 B13R1.202 CC1CCCCC1CC(O)C(=O)O Amb33353338 [0,1,0,1,0,0|0,0,2]=4 1362 B13R1.202 CC1CCCCC1C[C@H](N)C(=O)O Amb27964783 [0,1,0,1,0,0|0,0,2]=4 1363 B13R1.202 CC1CCCCC1N[C@H](C)C(=O)O Amb27979612 [0,1,0,1,0,0|1,0,1]=4 1364 B13R1.202 CC1CCNCC1NC(=O)C(=O)O Amb28070264 [0,1,0,1,0,0|2,0,0]=4 1365 B13R1.202 CN1CCCCC1CC(=O)C(=O)O Amb33323470 [0,1,0,1,0,0|1,0,1]=4 1366 B13R1.202 C\C(=C/C1CCCCC1C)C(C)O Amb27655935 [0,1,0,1,0,0|1,0,1]=4 1367 B13R1.202 C\C(=C\C1CCCCC1C)[N+](=O)[O-] Amb27483532 [0,1,0,1,0,0|1,0,1]=4 1368 B13R1.202 O=C(O)C(=O)N[C@@H]1CCCC[C@H]1O Amb27829244 [0,1,0,1,0,0|2,0,0]=4 1369 B13R1.202 O=C(O)C(=O)N[C@H]1CCCC[C@H]1O Amb27421023 [0,1,0,1,0,0|2,0,0]=4 1370 B13R1.351 CC(CCC1CCCCC1)C(=O)O Amb33449274 [0,1,0,1,0,0|0,0,2]=4 1371 B13R1.351 CC(NCC1CCCCC1)C(=O)O Amb9326921 [0,1,0,1,0,0|1,0,1]=4 1372 B13R1.351 C[C@@H](CCC1CCCCC1)C(=O)O Amb33729748 [0,1,0,1,0,0|0,0,2]=4 1373 B13R1.351 C[C@H](CCC1CCCCC1)C(=O)O Amb33727422 [0,1,0,1,0,0|0,0,2]=4 1374 B13R1.351 C\C(=C/CC1CCCCC1)C(=O)O Amb28367524 [0,1,0,1,0,0|0,0,0]=2 1375 B13R1.351 C\C(=C/CN1CCOCC1)C(=O)O Amb27210046 [0,1,0,1,0,0|2,0,0]=4 1376 B13R1.351 NC(CCC1CCCCC1)C(=O)O Amb32867914 [0,1,0,1,0,0|0,0,2]=4 1377 B13R1.351 N[C@@H](CCC1CCCCC1)C(=O)O Amb30594707 [0,1,0,1,0,0|0,0,2]=4 1378 B13R1.351 N[C@H](CCC1CCCCC1)C(=O)O Amb33308683 [0,1,0,1,0,0|0,0,2]=4 1379 B13R1.351 O=C(O)C(=O)CCC1CCCCC1 Amb33079594 [0,1,0,1,0,0|0,0,1]=3 1380 B13R1.351 O=C(O)C(=O)NCC1CCOCC1 Amb25832028 [0,1,0,1,0,0|2,0,0]=4 1381 B13R1.351 O=C(O)C(=O)\C=C\C1CCCCO1 Amb35634543 [0,1,0,1,0,0|1,0,1]=4 1382 B13R1.351 O=C(O)C(=O)\C=C\C1CCCOC1 Amb27610203 [0,1,0,1,0,0|1,0,1]=4 1383 B13R1.351 O=C(O)C(O)CCC1CCCCC1 Amb18649400 [0,1,0,1,0,0|0,0,2]=4 1384 B13R1.351 O=C(O)\C(F)=C\CC1CCCCC1 Amb27221422 [0,1,0,1,0,0|0,0,0]=2 1385 B13R1.391 CCCC1COC\C1=C(\C)C(=O)O Amb35631894 [0,1,0,1,0,0|1,0,0]=3 1386 B13R1.391 CCCC1COC\C1=C(\F)C(=O)O Amb35631895 [0,1,0,1,0,0|1,0,0]=3 1387 B13R1.391 COCC1CCCN1C(=O)C(=O)O Amb31173190 [0,1,0,1,0,0|2,0,0]=4 1388 B13R1.1097 CC1(C(=O)O)CCCCCCCC1 Amb28193430 [0,1,0,1,0,0|0,0,2]=4 1389 B13R1.1097 NC1(C(=O)O)CCCCCCCC1 Amb27256620 [0,1,0,1,0,0|0,0,2]=4 1390 B13R1.1110 CC(CCCC1CCCC1)C(=O)O Amb33481728 [0,1,0,1,0,0|0,0,2]=4 1391 B13R1.1110 NC(CCCC1CCCC1)C(=O)O Amb33374920 [0,1,0,1,0,0|0,0,2]=4 1392 B13R1.1110 O=C(O)C(=O)CCCC1CCCC1 Amb33481441 [0,1,0,1,0,0|0,0,1]=3 1393 B13R1.1110 O=C(O)C(=O)CCCN1CCCC1 Amb33424660 [0,1,0,1,0,0|1,0,1]=4 1394 B13R1.1110 O=C(O)C(=O)NCCN1CCCC1 Amb19026906 [0,1,0,1,0,0|2,0,0]=4 1395 B13R1.1110 O=C(O)C(O)CCCC1CCCC1 Amb33374586 [0,1,0,1,0,0|0,0,2]=4 1396 B13R1.1232 CCCCCC[C@@H]1C[C@@]1(C)C(=O)O Amb33098437 [0,1,0,1,0,0|0,0,2]=4 1397 B13R1.1232 CCCCCC[C@H]1C[C@@]1(C)C(=O)O Amb33098411 [0,1,0,1,0,0|0,0,2]=4 1398 B13R1.1267 CCCC1CCCCC1(N)C(=O)O Amb28385663 [0,1,0,1,0,0|0,0,2]=4 1399 B13R1.2191 CCC1CCCCCC1(N)C(=O)O Amb35681356 [0,1,0,1,0,0|0,0,2]=4 1400 B13R1.2191 CCC1CCCCCC1(O)C(=O)O Amb29865302 [0,1,0,1,0,0|0,0,2]=4 1401 B13R1.2801 CCC1COCC1NC(=O)C(=O)O Amb30027381 [0,1,0,1,0,0|2,0,0]=4 1402 B13R1.2801 O=C(O)C(=O)NC1CCCC1CO Amb28281411 [0,1,0,1,0,0|2,0,0]=4 1403 B13R1.2840 CC(NCCCCC1CC1)C(=O)O Amb32675857 [0,1,0,1,0,0|1,0,1]=4 1404 B13R1.2840 NC(CCCCCC1CC1)C(=O)O Amb33308704 [0,1,0,1,0,0|0,0,2]=4 1405 B13R1.2840 N[C@@H](CCCCCC1CC1)C(=O)O Amb33308674 [0,1,0,1,0,0|0,0,2]=4 1406 B13R1.2840 N[C@H](CCCCCC1CC1)C(=O)O Amb33036900 [0,1,0,1,0,0|0,0,2]=4 1407 B13R1.3766 CC1CCCCCC1C(C)C(=O)O Amb29865074 [0,1,0,1,0,0|0,0,2]=4 1408 B13R1.3766 CC1CCCCCC1C(F)C(=O)O Amb29865075 [0,1,0,1,0,0|0,0,2]=4 1409 B13R1.3766 CC1CCCCCC1C(N)C(=O)O Amb35663283 [0,1,0,1,0,0|0,0,2]=4 1410 B13R1.3766 CC1CCCCCC1C(O)C(=O)O Amb35725681 [0,1,0,1,0,0|0,0,2]=4 1411 B13R1.3766 CC1CCCCCN1C(C)C(=O)O Amb28367626 [0,1,0,1,0,0|1,0,1]=4 1412 B13R1.3766 CC1CCCCC\C1=C(\F)C(=O)O Amb35721702 [0,1,0,1,0,0|0,0,0]=2 1413 B13R1.3766 CC1CCOCCN1C(=O)C(=O)O Amb28293720 [0,1,0,1,0,0|2,0,0]=4 1414 B13R1.3766 C\C(C(=O)O)=C1\CCCCCC1C Amb35721701 [0,1,0,1,0,0|0,0,0]=2 1415 B13R1.3807 CC(=O)C1=CC(O)CCCCCC1 Amb27833639 [0,1,0,1,0,0|1,0,0]=3 1416 B13R1.6161 CC(C(=O)O)C1=CCCCCCC1 Amb27658974 [0,1,0,1,0,0|0,0,2]=4 1417 B13R1.6161 CC(C(=O)O)C1CCCCCCC1 Amb24652377 [0,1,0,1,0,0|0,0,2]=4 1418 B13R1.6161 NC(C(=O)O)C1=CCCCCCC1 Amb27407095 [0,1,0,1,0,0|0,0,2]=4 1419 B13R1.6161 NC(C(=O)O)C1CCCCCCC1 Amb27814084 [0,1,0,1,0,0|0,0,2]=4 1420 B13R1.6161 N[C@@H](C(=O)O)C1CCCCCCC1 Amb27168101 [0,1,0,1,0,0|0,0,2]=4 1421 B13R1.6161 O=C(O)C(=O)N1CCCCCCC1 Amb9304015 [0,1,0,1,0,0|1,0,0]=3 1422 B13R1.6161 O=C(O)C(F)=C1CCCCCCC1 Amb27589170 [0,1,0,1,0,0|0,0,0]=2 1423 B13R1.6161 O=C(O)C(O)C1=CCCCCCC1 Amb27219906 [0,1,0,1,0,0|0,0,2]=4 1424 B13R1.6161 O=C(O)C(O)C1CCCCCCC1 Amb27205442 [0,1,0,1,0,0|0,0,2]=4 1425 B13R1.6192 CC(=O)C(=O)NC1CCCCCC1 Amb17400987 [0,1,0,1,0,0|2,0,0]=4 1426 B13R1.6192 CC(CC1CCCCCC1)C(=O)O Amb28320084 [0,1,0,1,0,0|0,0,2]=4 1427 B13R1.6192 CC(NC1CCCCCC1)C(=O)O Amb17401063 [0,1,0,1,0,0|1,0,1]=4 1428 B13R1.6192 CC(OC1CCCCCC1)C(=O)O Amb18979541 [0,1,0,1,0,0|1,0,1]=4 1429 B13R1.6192 CC(SC1CCCCCC1)C(=O)O Amb27471543 [0,1,0,1,0,0|1,0,1]=4 1430 B13R1.6192 C[C@@H](CC1CCCCCC1)C(=O)O Amb33749534 [0,1,0,1,0,0|0,0,2]=4 1431 B13R1.6192 C[C@@H](NC1CCCCCC1)C(=O)O Amb27587315 [0,1,0,1,0,0|1,0,1]=4 1432 B13R1.6192 C[C@H](CC1CCCCCC1)C(=O)O Amb33727763 [0,1,0,1,0,0|0,0,2]=4 1433 B13R1.6192 C[C@H](NC1CCCCCC1)C(=O)O Amb27586975 [0,1,0,1,0,0|1,0,1]=4 1434 B13R1.6192 NC(CC1CCCCCC1)C(=O)O Amb26519677 [0,1,0,1,0,0|0,0,2]=4 1435 B13R1.6192 NC(CC1CCCCCC1)C(=O)O Amb32666066 [0,1,0,1,0,0|0,0,2]=4 1436 B13R1.6192 N[C@@H](CC1CCCCCC1)C(=O)O Amb26634280 [0,1,0,1,0,0|0,0,2]=4 1437 B13R1.6192 N[C@@H](CC1CCCCCC1)C(=O)O Amb28600370 [0,1,0,1,0,0|0,0,2]=4 1438 B13R1.6192 O=C(O)C(=O)CC1CCCCCC1 Amb24751418 [0,1,0,1,0,0|0,0,1]=3 1439 B13R1.6192 O=C(O)C(=O)NC1CCCCCC1 Amb9303952 [0,1,0,1,0,0|1,0,0]=3 1440 B13R1.6192 O=C(O)C(=O)NC1CCCSCC1 Amb35734138 [0,1,0,1,0,0|2,0,0]=4 1441 B13R1.6192 O=C(O)C(O)CC1CCCCCC1 Amb28434371 [0,1,0,1,0,0|0,0,2]=4 1442 B13R1.6192 O=C(O)C(S)CC1CCCCCC1 Amb27801746 [0,1,0,1,0,0|0,0,2]=4 1443 B13R1.6192 O=C(O)\C(F)=C\C1CCCCCC1 Amb27450569 [0,1,0,1,0,0|0,0,0]=2 1444 B13R1.45 CC(NCC(=O)O)C1CCCCC1 Amb33473568 [0,1,0,1,0,0|1,0,1]=4 1445 B13R1.45 CC(NCC(=O)O)C1CCCCC1 Amb9640431 [0,1,0,1,0,0|1,0,1]=4 1446 B13R1.45 CC(\C=C\[N+](=O)[O-])C1CCCCC1 Amb28341454 [0,1,0,1,0,0|1,0,1]=4 1447 B13R1.45 CN(\C=C\C(=O)O)C1CCCOC1 Amb35686798 [0,1,0,1,0,0|2,0,0]=4 1448 B13R1.45 CN(\C=C\C(=O)O)C1CCCSC1 Amb30016339 [0,1,0,1,0,0|2,0,0]=4 1449 B13R1.45 CN(\C=C\C(=O)O)C1CCSCC1 Amb35688548 [0,1,0,1,0,0|2,0,0]=4 1450 B13R1.45 C\C(=C/CC(=O)O)C1CCCCC1 Amb24634301 [0,1,0,1,0,0|0,0,2]=4 1451 B13R1.45 NC(CCC(=O)O)C1CCCCC1 Amb23440686 [0,1,0,1,0,0|0,0,2]=4 1452 B13R1.45 O=C(O)\C=C/C(=O)N1CCCCC1 Amb2370968 [0,1,0,1,0,0|1,0,1]=4 1453 B13R1.45 O=C(O)\C=C\C(=O)N1CCCCC1 Amb416215 [0,1,0,1,0,0|1,0,1]=4 1454 B13R1.141 CCCC1CCC(N)CC1C(=O)O Amb32866496 [0,1,0,1,0,0|0,0,2]=4 1455 B13R1.141 CCCC1CCC(O)CC1C(=O)O Amb32867810 [0,1,0,1,0,0|0,0,2]=4 1456 B13R1.159 CC1CCCCC1(O)C#CC(=O)O Amb28129254 [0,1,0,1,0,0|0,0,2]=4 1457 B13R1.168 CC1CCCC1N(C)\C=C\C(=O)O Amb35681257 [0,1,0,1,0,0|1,0,0]=3 1458 B13R1.168 CC1CCCN1C(=O)\C=C\C(=O)O Amb18950669 [0,1,0,1,0,0|1,0,1]=4 1459 B13R1.168 CC1COCC1N(C)\C=C\C(=O)O Amb29879253 [0,1,0,1,0,0|2,0,0]=4 1460 B13R1.168 CC1OCCC1N(C)\C=C\C(=O)O Amb27772709 [0,1,0,1,0,0|2,0,0]=4 1461 B13R1.344 NC(CCC(=O)O)CC1CCCC1 Amb19045804 [0,1,0,1,0,0|0,0,2]=4 1462 B13R1.344 O=C(O)\C=C\C(=O)NC1CCCC1 Amb7103334 [0,1,0,1,0,0|1,0,1]=4 1463 B13R1.8682 CC(O)\C=C\C1(C)CCCCCC1 Amb27191602 [0,1,0,1,0,0|1,0,1]=4 1464 B13R1.8682 CC1(\C=C\[N+](=O)[O-])CCCCCC1 Amb28194119 [0,1,0,1,0,0|1,0,1]=4 1465 B13R1.8682 NC1(CCC(=O)O)CCCCCC1 Amb18822376 [0,1,0,1,0,0|0,0,2]=4 1466 B13R1.589 CC(C)C1CCCCC1CC(=O)O Amb28044620 [0,1,0,1,0,0|0,0,2]=4 1467 B13R1.589 CC(C)C1CCCCN1CC(=O)O Amb27208020 [0,1,0,1,0,0|1,0,1]=4 1468 B13R1.589 CC(C)C1CCCC\C1=C/C(=O)O Amb27426985 [0,1,0,1,0,0|0,0,0]=2 1469 B13R1.589 CC(C)CC1CCCNC1C(=O)O Amb33500973 [0,1,0,1,0,0|1,0,1]=4 1470 B13R1.591 O=C(O)\C=C1/CCCC1CC(=O)O Amb27650683 [0,1,0,1,0,0|1,0,1]=4 1471 B13R1.1013 CC1(C)CCC\C1=C/C=C/C(=O)O Amb28041292 [0,1,0,1,0,0|0,0,2]=4 1472 B13R1.1013 CC1(C)COCC1N\C=C\C(=O)O Amb27829359 [0,1,0,1,0,0|2,0,0]=4 1473 B13R1.1013 CC1(C)OCCC1N\C=C\C(=O)O Amb27822766 [0,1,0,1,0,0|2,0,0]=4 1474 B13R1.1013 O=C(O)\C=C\NC1CCCC1(F)F Amb27435692 [0,1,0,1,0,0|2,0,0]=4 1475 B13R1.3575 CC1(C)CCCCC1CCC(=O)O Amb33470261 [0,1,0,1,0,0|0,0,2]=4 1476 B13R1.3575 CC1(C)CCCCC1\C=C\C(=O)O Amb33470092 [0,1,0,1,0,0|0,0,0]=2 1477 B13R1.3575 CC1(C)COCCN1\C=C\C(=O)O Amb27812517 [0,1,0,1,0,0|2,0,0]=4 1478 B13R1.3575 CC1(O)CCCCC1NCC(=O)O Amb35597316 [0,1,0,1,0,0|1,0,1]=4 1479 B13R1.3575 CC1(O)CCCCC1OCC(=O)O Amb35665605 [0,1,0,1,0,0|1,0,1]=4 1480 B13R1.3575 CC1(O)CCCCC1SCC(=O)O Amb35664219 [0,1,0,1,0,0|1,0,1]=4 1481 B13R1.3575 C[C@@]1(O)CCCC[C@H]1NCC(=O)O Amb35597214 [0,1,0,1,0,0|1,0,1]=4 1482 B13R1.3575 C[C@@]1(O)CCCC[C@H]1OCC(=O)O Amb35664175 [0,1,0,1,0,0|1,0,1]=4 1483 B13R1.3575 C[C@@]1(O)CCCC[C@H]1SCC(=O)O Amb35664216 [0,1,0,1,0,0|1,0,1]=4 1484 B13R1.3575 O=C(O)\C=C\C1CCCCC1(F)F Amb33470015 [0,1,0,1,0,0|1,0,0]=3 1485 B13R1.3576 CC(C)C1CCCN1\C=C\C(=O)O Amb27601654 [0,1,0,1,0,0|1,0,0]=3 1486 B13R1.8832 O=C(O)\C=C1/CCCCCC1(F)F Amb33741532 [0,1,0,1,0,0|1,0,0]=3 1487 B13R1.1279 CCCC1(C)CCCNC1C(=O)O Amb27974172 [0,1,0,1,0,0|1,0,1]=4 1488 B13R1.3485 CC1CC(O)CN1C\C=C\C(=O)O Amb27781212 [0,1,0,1,0,0|1,0,0]=3 1489 B13R2.10 O=C1NCC(C2CCCCC2)O1 Amb27595140 [0,0,0,2,0,0|1,0,1]=4 1490 B13R2.10 Oc1ccn(C2CCCCC2)n1 Amb27451260 [0,0,0,2,0,0|2,0,0]=4 1491 B13R2.142 O=C1NCC(CC2CCCC2)O1 Amb26980342 [0,0,0,2,0,0|1,0,1]=4 1492 B13R2.390 O=C1C=CC2CCCCC(O)C12 Amb27750347 [0,0,0,2,0,0|2,0,0]=4 1493 B13R2.390 O=C1C=C[C@@H]2CCCC[C@H](O)[C@H]12 Amb27854630 [0,0,0,2,0,0|2,0,0]=4 1494 B13R2.581 CO[C@H]1CCC[C@@H]2CC(=O)C=C12 Amb28351486 [0,0,0,2,0,0|2,0,0]=4 1495 B13R2.3672 O=C1OCC2=C1CCCCCC2 Amb28255592 [0,0,0,2,0,0|0,0,2]=4 1496 B13R2.4688 O=C1C=C2CCCCCCC2C1 Amb27175871 [0,0,0,2,0,0|1,0,0]=3 1497 B13R2.4688 O=C1N[C@H]2CCCCCC[C@H]2O1 Amb27201637 [0,0,0,2,0,0|1,0,1]=4 1498 B13R2.5023 C[C@@H]1CCCC[C@]12C=CC(=O)C2 Amb27626907 [0,0,0,2,0,0|1,0,0]=3 1499 B13R2.5023 C[C@H]1CCCC[C@@]12C=CC(=O)C2 Amb27489093 [0,0,0,2,0,0|1,0,0]=3 1500 B13R2.5023 C[C@H]1CCCC[C@]12CNC(=O)O2 Amb28251125 [0,0,0,2,0,0|1,0,1]=4 1501 B13R2.13132 O=C1C=CC2(CCCCCC2)C1 Amb26399380 [0,0,0,2,0,0|1,0,0]=3 1502 B13R2.3729 O=C1C=C2CCCCCN2CC1 Amb27193061 [0,0,0,2,0,0|2,0,0]=4 1503 B13R2.3729 O=C1C=C2NCCCCC2CC1 Amb27230390 [0,0,0,2,0,0|2,0,0]=4 1504 B13R2.3729 O=C1NC2CCCCCC2CO1 Amb27832446 [0,0,0,2,0,0|1,0,1]=4 1505 B13R2.4818 CC1CCCC2CC=CC(=O)C12 Amb27177883 [0,0,0,2,0,0|1,0,0]=3 1506 B13R2.4818 C[C@H]1CCC[C@H]2CC=CC(=O)[C@H]12 Amb28202084 [0,0,0,2,0,0|1,0,0]=3 1507 B13R2.4820 O=C1CCCC2CCCCC=C12 Amb28461159 [0,0,0,2,0,0|1,0,0]=3 1508 B13R2.5179 NC1CCCC2NC(=O)C=CC12 Amb27832129 [0,0,0,2,0,0|2,0,0]=4 1509 B13R2.11128 O=C1C=COC2(CCCCC2)C1 Amb24649510 [0,0,0,2,0,0|2,0,0]=4 1510 B13R2.11128 O=C1C=COC2(CCCCC2)O1 Amb25917869 [0,0,0,2,0,0|1,0,0]=3 1511 B13R2.11128 O=C1NCCC2(CCCCC2)O1 Amb26587318 [0,0,0,2,0,0|1,0,1]=4 1512 B13R2.72 CC(=O)C1=C2CCCCN2CC1 Amb24456119 [0,0,0,2,0,0|2,0,0]=4 1513 B13R2.72 O=C(O)C1=NOC2CCCCC12 Amb2688707 [0,0,0,2,0,0|2,0,0]=4 1514 B13R2.72 O=C(O)C1=NO[C@H]2CCCC[C@@H]12 Amb8629063 [0,0,0,2,0,0|2,0,0]=4 1515 B13R2.72 O=C(O)C1CCC2CCCCC21 Amb27805919 [0,0,0,2,0,0|0,0,2]=4 1516 B13R2.72 O=C(O)C1CCC2CCCCN21 Amb23441245 [0,0,0,2,0,0|1,0,1]=4 1517 B13R2.72 O=C(O)C1CCC2CCCCN21 Amb28555814 [0,0,0,2,0,0|1,0,1]=4 1518 B13R2.72 O=C(O)C1CC[C@@H]2CCCC[C@H]12 Amb27858685 [0,0,0,2,0,0|0,0,2]=4 1519 B13R2.72 O=C(O)C1CC[C@H]2CCCCC12 Amb28290328 [0,0,0,2,0,0|0,0,2]=4 1520 B13R2.72 O=C(O)C1NCC2CCCCC21 Amb18826042 [0,0,0,2,0,0|1,0,1]=4 1521 B13R2.72 O=C(O)[C@@H]1CC[C@@H]2CCCC[C@H]21 Amb27201330 [0,0,0,2,0,0|0,0,2]=4 1522 B13R2.72 O=C(O)[C@@H]1CC[C@H]2CCCC[C@H]21 Amb27204924 [0,0,0,2,0,0|0,0,2]=4 1523 B13R2.72 O=C(O)[C@@H]1NCC2CCCCC21 Amb27629014 [0,0,0,2,0,0|1,0,1]=4 1524 B13R2.72 O=C(O)[C@@H]1NC[C@H]2CCCC[C@H]21 Amb33209360 [0,0,0,2,0,0|1,0,1]=4 1525 B13R2.72 O=C(O)[C@@H]1NC[C@H]2CCCC[C@H]21 Amb33465335 [0,0,0,2,0,0|1,0,1]=4 1526 B13R2.72 O=C(O)[C@H]1CC[C@@H]2CCCC[C@H]21 Amb27232967 [0,0,0,2,0,0|0,0,2]=4 1527 B13R2.72 O=C(O)[C@H]1CC[C@H]2CCCC[C@@H]12 Amb28457533 [0,0,0,2,0,0|0,0,2]=4 1528 B13R2.72 O=C(O)[C@H]1NC[C@H]2CCCC[C@@H]21 Amb25373956 [0,0,0,2,0,0|1,0,1]=4 1529 B13R2.163 O=C1C=C2CCCCC2CCC1 Amb27177506 [0,0,0,2,0,0|1,0,0]=3 1530 B13R2.163 O=C1NCC[C@@H]2CCCC[C@H]2O1 Amb32992735 [0,0,0,2,0,0|1,0,1]=4 1531 B13R2.328 CC1OC(=O)CC2CCCCC21 Amb28251218 [0,0,0,2,0,0|0,0,2]=4 1532 B13R2.328 C[C@@H]1OC(=O)N[C@H]2CCCC[C@@H]21 Amb27818042 [0,0,0,2,0,0|1,0,1]=4 1533 B13R2.545 O=C(O)CC1CCCCC12CC2 Amb18826489 [0,0,0,2,0,0|0,0,2]=4 1534 B13R2.1282 O=C(O)\C=C1\CCC2CCC1O2 Amb28344246 [0,0,0,2,0,0|1,0,0]=3 1535 B13R2.1287 O=C(O)CN1CC2CCC1CC2 Amb8010622 [0,0,0,2,0,0|1,0,1]=4 1536 B13R2.1287 O=C(O)\C=C1/CN2CCC1CC2 Amb32941949 [0,0,0,2,0,0|1,0,0]=3 1537 B13R2.1287 O=C(O)\C=C1\CN2CCC1CC2 Amb27845146 [0,0,0,2,0,0|1,0,0]=3 1538 B13R2.2363 CC[C@@]12CCCCC1=CC(=O)C2 Amb27802739 [0,0,0,2,0,0|1,0,0]=3 1539 B13R2.430 O=C(O)C1=C[C@H]2CCC[C@H]2CC1 Amb27816144 [0,0,0,2,0,0|0,0,0]=2 1540 B13R2.430 O=C(O)C1CCC2CCCC2N1 Amb25828484 [0,0,0,2,0,0|1,0,1]=4 1541 B13R2.430 O=C(O)[C@@H]1CC[C@H]2CCC[C@H]2C1 Amb27231830 [0,0,0,2,0,0|0,0,2]=4 1542 B13R2.430 O=C(O)[C@H]1CC[C@H]2CCC[C@@H]2C1 Amb27444600 [0,0,0,2,0,0|0,0,2]=4 1543 B13R2.687 O=C(O)CC1CCC2CCCC21 Amb27607708 [0,0,0,2,0,0|0,0,2]=4 1544 B13R2.687 O=C(O)C[C@@H]1CC[C@H]2CCC[C@@H]12 Amb28052117 [0,0,0,2,0,0|0,0,2]=4 1545 B13R2.3156 O=C(O)C#CC1CCCC12CC2 Amb33169079 [0,0,0,2,0,0|0,0,2]=4 1546 B13R2.5551 CC(=O)\C=C/[C@@H]1C[C@H]2CC[C@@H]1C2 Amb28053976 [0,0,0,2,0,0|1,0,0]=3 1547 B13R2.5551 CC(=O)\C=C\C1CC2CCC1C2 Amb33449025 [0,0,0,2,0,0|1,0,0]=3 1548 B13R2.5551 CC(=O)\C=C\C1CC2CCC1O2 Amb32874100 [0,0,0,2,0,0|2,0,0]=4 1549 B13R2.5551 CC(=O)\C=C\[C@@H]1C[C@H]2CC[C@@H]1C2 Amb27432611 [0,0,0,2,0,0|1,0,0]=3 1550 B13R2.5551 O=C(O)C#CC1CC2CCC1C2 Amb28061987 [0,0,0,2,0,0|0,0,2]=4 1551 B13R2.5551 O=C(O)CCC1CC2CCC1C2 Amb24692916 [0,0,0,2,0,0|0,0,2]=4 1552 B13R2.5551 O=C(O)COC1CC2CCC1C2 Amb26883203 [0,0,0,2,0,0|1,0,1]=4 1553 B13R2.5551 O=C(O)CO[C@H]1C[C@H]2CC[C@@H]1C2 Amb27634951 [0,0,0,2,0,0|1,0,1]=4 1554 B13R2.5551 O=C(O)CSC1CC2CCC1C2 Amb27862976 [0,0,0,2,0,0|1,0,1]=4 1555 B13R2.5551 O=C(O)\C=C\C1CC2C=CC1C2 Amb4007467 [0,0,0,2,0,0|0,0,2]=4 1556 B13R2.5551 O=C(O)\C=C\C1CC2CCC1C2 Amb32751211 [0,0,0,2,0,0|0,0,0]=2 1557 B13R2.5551 O=C(O)\C=C\C1CC2CCC1O2 Amb32875356 [0,0,0,2,0,0|1,0,0]=3 1558 B13R2.5551 O=C(O)\C=C\C1C[C@@H]2C=C[C@H]1C2 Amb24515125 [0,0,0,2,0,0|0,0,2]=4 1559 B13R2.5551 O=C(O)\C=C\C1C[C@@H]2CC[C@H]1C2 Amb28069159 [0,0,0,2,0,0|0,0,0]=2 1560 B13R2.5551 O=C(O)\C=C\N1CC2CC1CO2 Amb28385790 [0,0,0,2,0,0|2,0,0]=4 1561 B13R2.5551 O=[N+]([O-])\C=C\C1CC2CCC1C2 Amb26012608 [0,0,0,2,0,0|1,0,1]=4 1562 B13R2.33 O=C1C=C[C@H]2CCCC[C@@H]2OC1 Amb28052606 [0,0,0,2,0,0|2,0,0]=4 1563 B13R2.34 CC12CCCCC1C=CC(=O)C2 Amb27854946 [0,0,0,2,0,0|1,0,0]=3 1564 B13R2.34 C[C@]12CCCC[C@H]1C=CC(=O)C2 Amb27493465 [0,0,0,2,0,0|1,0,0]=3 1565 B13R2.435 CC(=O)C1=C[C@@H]2CCCC[C@@H]2C1 Amb28053992 [0,0,0,2,0,0|1,0,0]=3 1566 B13R2.435 O=C(O)C1=NC2CCCCC2C1 Amb28123112 [0,0,0,2,0,0|1,0,0]=3 1567 B13R2.435 O=C(O)C1CC2CCCCC2C1 Amb18647052 [0,0,0,2,0,0|0,0,2]=4 1568 B13R2.435 O=C(O)C1CC2CCCCC2N1 Amb9703204 [0,0,0,2,0,0|1,0,1]=4 1569 B13R2.435 O=C(O)C1C[C@@H]2CCCC[C@@H]2N1 Amb24184035 [0,0,0,2,0,0|1,0,1]=4 1570 B13R2.435 O=C(O)C1C[C@@H]2CCCC[C@H]2O1 Amb35750220 [0,0,0,2,0,0|1,0,1]=4 1571 B13R2.435 O=C(O)C1C[C@H]2CCCC[C@@H]2C1 Amb28458485 [0,0,0,2,0,0|0,0,2]=4 1572 B13R2.435 O=C(O)C1C[C@H]2CCCC[C@@H]2N1 Amb28321382 [0,0,0,2,0,0|1,0,1]=4 1573 B13R2.435 O=C(O)[C@@H]1CC2CCCC[C@@H]2N1 Amb27779306 [0,0,0,2,0,0|1,0,1]=4 1574 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCCC2N1 Amb26418490 [0,0,0,2,0,0|1,0,1]=4 1575 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 Amb1157219 [0,0,0,2,0,0|1,0,1]=4 1576 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1 Amb24606879 [0,0,0,2,0,0|1,0,1]=4 1577 B13R2.435 O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1 Amb16233005 [0,0,0,2,0,0|1,0,1]=4 1578 B13R2.435 O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1 Amb8394829 [0,0,0,2,0,0|1,0,1]=4 1579 B13R2.435 O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1 Amb22752915 [0,0,0,2,0,0|1,0,1]=4 1580 B13R2.435 O=C(O)[C@H]1CC2CCCCC2N1 Amb8385989 [0,0,0,2,0,0|1,0,1]=4 1581 B13R2.435 O=C(O)[C@H]1C[C@@H]2CCCC[C@@H]2C1 Amb27425241 [0,0,0,2,0,0|0,0,2]=4 1582 B13R2.435 O=C(O)[C@H]1C[C@@H]2CCCC[C@@H]2N1 Amb8394828 [0,0,0,2,0,0|1,0,1]=4 1583 B13R2.435 O=C(O)[C@H]1C[C@@H]2CCCC[C@H]2N1 Amb27803728 [0,0,0,2,0,0|1,0,1]=4 1584 B13R2.435 O=C(O)[C@H]1C[C@H]2CCCC[C@@H]2N1 Amb26528133 [0,0,0,2,0,0|1,0,1]=4 1585 B13R2.435 O=C(O)[C@H]1C[C@H]2CCCC[C@H]2N1 Amb24624093 [0,0,0,2,0,0|1,0,1]=4 1586 B13R2.5531 O=C(O)C#CC12CCCCC1C2 Amb35735663 [0,0,0,2,0,0|0,0,2]=4 1587 B13R2.5531 O=C(O)CNC12CCCCC1C2 Amb35692497 [0,0,0,2,0,0|1,0,1]=4 1588 B13R2.13856 O=C(O)C#CC1CCCC2CC12 Amb30007967 [0,0,0,2,0,0|0,0,2]=4 1589 B13R2.13856 O=C(O)CNC1CCCC2CC21 Amb27647732 [0,0,0,2,0,0|1,0,1]=4 1590 B13R2.543 O=C(O)CC1CC2CCCC2C1 Amb27792902 [0,0,0,2,0,0|0,0,2]=4 1591 B13R2.543 O=C(O)CN1CC2CCCC2C1 Amb27409163 [0,0,0,2,0,0|1,0,1]=4 1592 B13R2.1267 O=C(O)\C=C\NC12CCCC1C2 Amb35727874 [0,0,0,2,0,0|1,0,0]=3 1593 B13R2.4701 O=C(O)\C=C1/C[C@@H]2C[C@H]1C[C@H]2O Amb27658957 [0,0,0,2,0,0|1,0,0]=3 1594 B13R2.11877 CC(=O)C1=CCC2CCC1N2C Amb26597927 [0,0,0,2,0,0|2,0,0]=4 1595 B13R2.11877 CN1C2CC=C(C(N)=O)C1CC2 Amb28434556 [0,0,0,2,0,0|2,0,0]=4 1596 B13R2.11877 CN1[C@@H]2CC=C(C(=O)O)[C@H]1CC2 Amb24308644 [0,0,0,2,0,0|1,0,0]=3 1597 B13R2.13806 O=C(O)\C=C\C=C1/CCC2CC12 Amb27647733 [0,0,0,2,0,0|0,0,2]=4 1598 B13R2.4746 C[C@@]12CCCCCC1=CC(=O)C2 Amb27599501 [0,0,0,2,0,0|1,0,0]=3 1599 B13R2.191 CC1CC12CCCC2CC(=O)O Amb33494118 [0,0,0,2,0,0|0,0,2]=4 1600 B13R2.5542 CC(=O)\C=C\C1CCC2CC2C1 Amb35598474 [0,0,0,2,0,0|1,0,0]=3 1601 B13R2.5542 CC(O)\C=C\C1CCC2CC2C1 Amb35598834 [0,0,0,2,0,0|1,0,1]=4 1602 B13R2.5542 O=C(O)C#CC1CCC2CC2C1 Amb33169072 [0,0,0,2,0,0|0,0,2]=4 1603 B13R2.5542 O=C(O)CCC1CCC2CC2C1 Amb30019267 [0,0,0,2,0,0|0,0,2]=4 1604 B13R2.5542 O=C(O)CNC1CCC2CC2C1 Amb35699414 [0,0,0,2,0,0|1,0,1]=4 1605 B13R2.5542 O=C(O)\C=C\C1CCC2CC2C1 Amb35663501 [0,0,0,2,0,0|0,0,0]=2 1606 B13R2.5542 O=C(O)\C=C\N1CCC2CC2C1 Amb30006747 [0,0,0,2,0,0|1,0,0]=3 1607 B13R2.5542 O=[N+]([O-])\C=C\C1CCC2CC2C1 Amb35668934 [0,0,0,2,0,0|1,0,1]=4 1608 B13R2.5565 O=C(O)\C=C\CN1CC2CC2C1 Amb27847655 [0,0,0,2,0,0|1,0,0]=3 1609 B13R2.5565 O=C(O)\C=C\NC1CC2CC2C1 Amb27216892 [0,0,0,2,0,0|1,0,0]=3 1610 B13R2.5572 O=C(O)C1CCCC2CC2CC1 Amb32656316 [0,0,0,2,0,0|0,0,2]=4 1611 B13R2.13972 O=C(O)C1=CC2CCCCCC12 Amb33744089 [0,0,0,2,0,0|0,0,0]=2 1612 B13R2.13972 O=C(O)[C@@H]1C[C@@H]2CCCCC[C@@H]21 Amb33804300 [0,0,0,2,0,0|0,0,2]=4 1613 B13R2.5558 O=C(O)C1=CCC2CCCC1C2 Amb27392342 [0,0,0,2,0,0|0,0,0]=2 1614 B13R2.5558 O=C(O)C1CCC2CCCC1C2 Amb28365636 [0,0,0,2,0,0|0,0,2]=4 1615 B13R2.13710 CC(=O)C1=CCCC2CCC1N2 Amb26372031 [0,0,0,2,0,0|2,0,0]=4 1616 B13R2.13710 CC(=O)C1=CCCC2CCC1N2 Amb31030965 [0,0,0,2,0,0|2,0,0]=4 1617 B13R2.13710 CC(=O)C1=CCC[C@@H]2CC[C@H]1N2 Amb24540557 [0,0,0,2,0,0|2,0,0]=4 1618 B13R2.5252 O=C1C=CCCC2CCCC=C12 Amb27434283 [0,0,0,2,0,0|1,0,1]=4 1619 B13R2.5252 O=C1C=CCCC2CCCCC12 Amb28253747 [0,0,0,2,0,0|1,0,0]=3 1620 B13R2.5548 O=C(O)\C=C\N1CC2CCC2C1 Amb35613846 [0,0,0,2,0,0|1,0,0]=3 1621 B13R2.423 O=C(O)C1CC1C2CCCCC2 Amb18960083 [0,0,0,2,0,0|0,0,2]=4 1622 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2CCCCC2 Amb33098458 [0,0,0,2,0,0|0,0,2]=4 1623 B13R2.437 O=C(O)C1CCC12CCCCC2 Amb27983816 [0,0,0,2,0,0|0,0,2]=4 1624 B13R2.5849 O=C(O)CCC1C2CCCCC21 Amb25339591 [0,0,0,2,0,0|0,0,2]=4 1625 B13R2.5849 O=C(O)CCC1[C@H]2CCCC[C@@H]12 Amb27958973 [0,0,0,2,0,0|0,0,2]=4 1626 B13R2.5849 O=C(O)CNC1C2CCCCC21 Amb28062089 [0,0,0,2,0,0|1,0,1]=4 1627 B13R2.5849 O=C(O)\C=C\C1C2CCCCC12 Amb33470070 [0,0,0,2,0,0|0,0,0]=2 1628 B13R2.35 O=C(O)C1CCCC12CCCC2 Amb27606964 [0,0,0,2,0,0|0,0,2]=4 1629 B13R2.424 O=C(O)C1CC1CC2CCCC2 Amb26530691 [0,0,0,2,0,0|0,0,2]=4 1630 B13R2.424 O=C(O)[C@@H]1C[C@H]1CC2CCCC2 Amb33378876 [0,0,0,2,0,0|0,0,2]=4 1631 B13R2.426 CC(=O)\C=C1\CCC12CCCC2 Amb35619531 [0,0,0,2,0,0|1,0,0]=3 1632 B13R2.426 CC(O)\C=C1\CCC12CCCC2 Amb35619198 [0,0,0,2,0,0|1,0,1]=4 1633 B13R2.426 O=C(O)CC1CCC12CCCC2 Amb35619425 [0,0,0,2,0,0|0,0,2]=4 1634 B13R2.426 O=C(O)\C=C1\CCC12CCCC2 Amb30025861 [0,0,0,2,0,0|0,0,0]=2 1635 B13R2.5569 CC(=O)C1=C2CCCC2CCC1 Amb24630727 [0,0,0,2,0,0|1,0,0]=3 1636 B13R2.5569 CC(=O)C1=CCCC2CCCC12 Amb24422925 [0,0,0,2,0,0|1,0,0]=3 1637 B13R2.5569 CC(=O)C1=CCCC2COCC12 Amb27175955 [0,0,0,2,0,0|2,0,0]=4 1638 B13R2.5569 CC(=O)C1=CCC[C@@H]2COC[C@H]12 Amb27861408 [0,0,0,2,0,0|2,0,0]=4 1639 B13R2.5569 CC(=O)C1=CCC[C@H]2COC[C@@H]12 Amb27427876 [0,0,0,2,0,0|2,0,0]=4 1640 B13R2.5569 O=C(O)C1=C2NCCN2CCC1 Amb18826588 [0,0,0,2,0,0|2,0,0]=4 1641 B13R2.5569 O=C(O)C1=C2OCC[C@@H]2CCC1 Amb27165842 [0,0,0,2,0,0|1,0,0]=3 1642 B13R2.5569 O=C(O)C1=C2OCC[C@H]2CCC1 Amb28076726 [0,0,0,2,0,0|1,0,0]=3 1643 B13R2.5569 O=C(O)C1CCCC2CCCC21 Amb27444701 [0,0,0,2,0,0|0,0,2]=4 1644 B13R2.5569 O=C(O)C1CCCC2CCCN21 Amb25232742 [0,0,0,2,0,0|1,0,1]=4 1645 B13R2.5569 O=C(O)C1CCCC2CCCN21 Amb28594200 [0,0,0,2,0,0|1,0,1]=4 1646 B13R2.5569 O=C(O)[C@H]1CCC[C@@H]2CCC[C@@H]21 Amb28247986 [0,0,0,2,0,0|0,0,2]=4 1647 B13R2.1300 CC(=O)\C=C1\CCCC12CCC2 Amb27444306 [0,0,0,2,0,0|1,0,0]=3 1648 B13R2.1300 CC(O)\C=C1\CCCC12CCC2 Amb27779789 [0,0,0,2,0,0|1,0,1]=4 1649 B13R2.1300 O=C(O)CC1CCCC12CCC2 Amb27799971 [0,0,0,2,0,0|0,0,2]=4 1650 B13R2.1300 O=C(O)\C=C1\CCCC12CCC2 Amb27423304 [0,0,0,2,0,0|0,0,0]=2 1651 B13R2.5584 O=C(O)C1CCCCC12CCC2 Amb26557269 [0,0,0,2,0,0|0,0,2]=4 1652 B13R2.5602 O=C(O)C1NCCC1C2CCC2 Amb27624357 [0,0,0,2,0,0|1,0,1]=4 1653 B13R2.5514 O=C(O)C1=C(C2CC2)CCCC1 Amb27803143 [0,0,0,2,0,0|0,0,2]=4 1654 B13R2.5514 O=C(O)C1CCCCC1C2CC2 Amb26878459 [0,0,0,2,0,0|0,0,2]=4 1655 B13R2.5514 O=C(O)[C@H]1NCCC[C@@H]1C2CC2 Amb27427806 [0,0,0,2,0,0|1,0,1]=4 1656 B13R2.13663 O=C(O)C12CCCCC1CCC2 Amb18646993 [0,0,0,2,0,0|0,0,2]=4 1657 B13R2.13663 O=C(O)[C@@]12CCC[C@H]1CCCN2 Amb27477716 [0,0,0,2,0,0|1,0,1]=4 1658 B13R2.13663 O=C(O)[C@]12CCCC[C@@H]1CCC2 Amb27436178 [0,0,0,2,0,0|0,0,2]=4 1659 B13R2.13779 O=C(O)C1C2CCCC1CCC2 Amb28140078 [0,0,0,2,0,0|0,0,2]=4 1660 B13R2.623 COC1CC(=O)C=C2CCCC21 Amb27176209 [0,0,0,2,0,0|2,0,0]=4 1661 B13R2.623 CO[C@H]1CC(=O)C=C2CCC[C@@H]21 Amb27262929 [0,0,0,2,0,0|2,0,0]=4 1662 B13R2.5604 O=C(O)CN1CCCC1C2CC2 Amb28280716 [0,0,0,2,0,0|1,0,1]=4 1663 B13R2.5545 O=C(O)\C=C\NCC1CC12CC2 Amb35631314 [0,0,0,2,0,0|1,0,0]=3 1664 B13R2.13708 O=C(O)C1CCCCCC12CC2 Amb18826495 [0,0,0,2,0,0|0,0,2]=4 1665 B13R2.1280 O=C(O)CC1CCC2CC2CC1 Amb33068666 [0,0,0,2,0,0|0,0,2]=4 1666 B13R2.13776 O=C(O)C1C2CCCCCCC21 Amb10071664 [0,0,0,2,0,0|0,0,2]=4 1667 B13R2.13776 O=C(O)C1[C@H]2CCCCCC[C@H]12 Amb27657631 [0,0,0,2,0,0|0,0,2]=4 1668 B13R2.13815 CC(=O)C=C1C2CCCCCC12 Amb27616708 [0,0,0,2,0,0|1,0,0]=3 1669 B13R2.13815 O=C(O)CC1C2CCCCCC21 Amb28132343 [0,0,0,2,0,0|0,0,2]=4