0 B11R0.148 C#CC#CCCCCCC(=O)O Amb32789676 [0,0,0,0,0,0|0,0,4]=4 1 B11R0.148 C#CCCCCCCCC(=O)O Amb22388895 [0,0,0,0,0,0|0,0,2]=2 2 B11R0.148 C#CCCCCC\C=C\C(=O)O Amb2609438 [0,0,0,0,0,0|0,0,4]=4 3 B11R0.148 C#CCOCCOCCC(=O)O Amb33961679 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.148 C=C(Br)CCCCCCCCC Amb6298936 [0,0,0,0,0,0|2,0,0]=2 5 B11R0.148 C=C(C)CCCCCCCC#N Amb6298909 [0,0,0,0,0,0|3,0,1]=4 6 B11R0.148 C=C(C)CCCCCCCCC Amb6298942 [0,0,0,0,0,0|2,0,0]=2 7 B11R0.148 C=C(Cl)CCCCCCCCC Amb6298930 [0,0,0,0,0,0|2,0,0]=2 8 B11R0.148 C=CCCCCCCCC(=O)O Amb2686677 [0,0,0,0,0,0|0,0,2]=2 9 B11R0.148 C=CCCOCCCCC(=O)O Amb33531508 [0,0,0,0,0,0|1,0,2]=3 10 B11R0.148 CC(=O)OCCCCCCC=O Amb22364796 [0,0,0,0,0,0|3,0,1]=4 11 B11R0.148 CC(O)CCCCCCCCO Amb33331053 [0,0,0,0,0,0|2,0,1]=3 12 B11R0.148 CCCC#CCCC#CC(=O)O Amb28127282 [0,0,0,0,0,0|0,0,4]=4 13 B11R0.148 CCCCCCCCCC(=O)Cl Amb8513576 [0,0,0,0,0,0|1,0,0]=1 14 B11R0.148 CCCCCCCCCC(=O)O Amb5718031 [0,0,0,0,0,0|0,0,0]=0 15 B11R0.148 CCCCCCCCCC(C)=O Amb6307417 [0,0,0,0,0,0|1,0,0]=1 16 B11R0.148 CCCCCCCCCC(C)C Amb22043228 [0,0,0,0,0,0|2,0,1]=3 17 B11R0.148 CCCCCCCCCC(C)N Amb6366423 [0,0,0,0,0,0|2,0,1]=3 18 B11R0.148 CCCCCCCCCC(N)=O Amb6366435 [0,0,0,0,0,0|1,0,0]=1 19 B11R0.148 CCCCCCCCCC(N)=S Amb7794719 [0,0,0,0,0,0|1,1,0]=2 20 B11R0.148 CCCCCCCCCS(=O)Cl Amb32720537 [0,0,0,0,0,0|2,0,0]=2 21 B11R0.148 CCCCCCCCCS(=O)[O-] Amb32755589 [0,0,0,0,0,0|1,0,1]=2 22 B11R0.148 CCCCCCCCCS(N)=O Amb32720538 [0,0,0,0,0,0|2,0,0]=2 23 B11R0.148 CCCCCCCCNC(C)=O Amb33551736 [0,0,0,0,0,0|2,0,0]=2 24 B11R0.148 CCCCCCCCNC(N)=S Amb1152183 [0,0,0,0,0,0|2,1,0]=3 25 B11R0.148 CCCCCCCCOC(=O)Cl Amb8515453 [0,0,0,0,0,0|2,0,0]=2 26 B11R0.148 CCCCCCCCOC(C)=O Amb8515405 [0,0,0,0,0,0|2,0,0]=2 27 B11R0.148 CCCCCCCNCC(=O)O Amb19373457 [0,0,0,0,0,0|1,0,0]=1 28 B11R0.148 CCCCCCCNCC(=O)O Amb8827566 [0,0,0,0,0,0|1,0,0]=1 29 B11R0.148 CCCCCCCNCC(C)C Amb7757190 [0,0,0,0,0,0|3,0,1]=4 30 B11R0.148 CCCCCCC\C=C\B(O)O Amb33513070 [0,0,0,0,0,0|1,0,3]=4 31 B11R0.148 CCCCCCC\C=C\C(=O)O Amb6336657 [0,0,0,0,0,0|0,0,2]=2 32 B11R0.148 CCCCCCNCCC(=O)O Amb8830823 [0,0,0,0,0,0|1,0,0]=1 33 B11R0.148 CCCCCCNCCC(C)C Amb6620655 [0,0,0,0,0,0|3,0,1]=4 34 B11R0.148 CCCCC\C=C\CCC(=O)O Amb24079160 [0,0,0,0,0,0|0,0,2]=2 35 B11R0.148 CCCCC\C=C\COC(C)=O Amb30988128 [0,0,0,0,0,0|2,0,2]=4 36 B11R0.148 CCCCOCCOCC(=O)O Amb9204477 [0,0,0,0,0,0|2,0,0]=2 37 B11R0.148 CCCCSCCCCC(=O)O Amb1032990 [0,0,0,0,0,0|1,0,0]=1 38 B11R0.148 CCC\C=C\CCCCC(=O)O Amb24063196 [0,0,0,0,0,0|0,0,2]=2 39 B11R0.148 CCNCCOCCCC(=O)O Amb18110845 [0,0,0,0,0,0|2,0,0]=2 40 B11R0.148 CCOCCCNCCC(N)=S Amb17315344 [0,0,0,0,0,0|3,1,0]=4 41 B11R0.148 CCOCCOCCCC(=O)O Amb6262117 [0,0,0,0,0,0|2,0,0]=2 42 B11R0.148 CCOCCOCCOC(C)=O Amb8514868 [0,0,0,0,0,0|4,0,0]=4 43 B11R0.148 CCOCCOCCOC(N)=O Amb29674648 [0,0,0,0,0,0|4,0,0]=4 44 B11R0.148 CN(C)CCCCCCCCN Amb24117500 [0,0,0,0,0,0|4,0,0]=4 45 B11R0.148 CNCCCNCCCC(=O)O Amb28963363 [0,0,0,0,0,0|2,0,0]=2 46 B11R0.148 CNCCCNCCCC(=O)O Amb33470189 [0,0,0,0,0,0|2,0,0]=2 47 B11R0.148 COCCOCCC#CC(=O)O Amb33168990 [0,0,0,0,0,0|2,0,2]=4 48 B11R0.148 COCCOCCCCC(=O)O Amb9207792 [0,0,0,0,0,0|2,0,0]=2 49 B11R0.148 COCCOCCOCC(=O)Cl Amb2689123 [0,0,0,0,0,0|4,0,0]=4 50 B11R0.148 COCCOCCOCC(=O)O Amb3940728 [0,0,0,0,0,0|3,0,0]=3 51 B11R0.148 N#CCCCSCCCC(=O)O Amb17504253 [0,0,0,0,0,0|2,0,1]=3 52 B11R0.148 NCCCCSCCCC(=O)O Amb17500972 [0,0,0,0,0,0|2,0,0]=2 53 B11R0.148 NCCOCCOCCC(=O)O Amb18111401 [0,0,0,0,0,0|3,0,0]=3 54 B11R0.148 O=C(O)CCCCCCCCBr Amb8631538 [0,0,0,0,0,0|1,0,0]=1 55 B11R0.148 O=C(O)CCCCCCCCO Amb3372037 [0,0,0,0,0,0|1,0,0]=1 56 B11R0.148 O=C(O)CCCCCCN=C=S Amb33471526 [0,0,0,0,0,0|2,0,1]=3 57 B11R0.148 O=C(O)CCOCCOCCBr Amb24057758 [0,0,0,0,0,0|3,0,0]=3 58 B11R0.148 O=C(O)CCOCCOCCO Amb24057823 [0,0,0,0,0,0|3,0,0]=3 59 B11R0.148 O=C=NCCCCCCC(=O)O Amb33471297 [0,0,0,0,0,0|2,0,1]=3 60 B11R0.148 [N-]=[N+]=NCCCCCCC(=O)O Amb22407009 [0,0,0,0,0,0|3,0,0]=3 61 B10R0.4 C#CCSCCCCC(=O)O Amb17503766 [1,0,0,0,0,0|1,0,2]=4 62 B10R0.4 C=C(Br)CCCCCCCC Amb6298935 [1,0,0,0,0,0|2,0,0]=3 63 B10R0.4 C=C(Br)CCCCCCCCl Amb6298886 [1,0,0,0,0,0|3,0,0]=4 64 B10R0.4 C=C(C)CCCCCCCC Amb6298941 [1,0,0,0,0,0|2,0,0]=3 65 B10R0.4 C=C(C)CNCCCCCC Amb17308745 [1,0,0,0,0,0|3,0,0]=4 66 B10R0.4 C=C(Cl)CCCCCCCC Amb6298929 [1,0,0,0,0,0|2,0,0]=3 67 B10R0.4 C=CCOCCCCC(=O)O Amb9208690 [1,0,0,0,0,0|1,0,2]=4 68 B10R0.4 CC(=O)NCCCCCCN Amb5786933 [1,0,0,0,0,0|3,0,0]=4 69 B10R0.4 CC(=O)NCCCCCCO Amb24113372 [1,0,0,0,0,0|3,0,0]=4 70 B10R0.4 CC(=O)OCCCCCCBr Amb24063174 [1,0,0,0,0,0|3,0,0]=4 71 B10R0.4 CC(=O)SCCCCCCN Amb31031026 [1,0,0,0,0,0|3,0,0]=4 72 B10R0.4 CC(=O)SCCCCCCN Amb33276211 [1,0,0,0,0,0|3,0,0]=4 73 B10R0.4 CCC#CCCCCC(=O)O Amb27269519 [1,0,0,0,0,0|0,0,2]=3 74 B10R0.4 CCC#CCCCCC(N)=O Amb28079386 [1,0,0,0,0,0|1,0,2]=4 75 B10R0.4 CCCC#CCCCC(=O)O Amb27269520 [1,0,0,0,0,0|0,0,2]=3 76 B10R0.4 CCCC#CCCCC(N)=O Amb28079638 [1,0,0,0,0,0|1,0,2]=4 77 B10R0.4 CCCCC#CCCC(C)=O Amb27269937 [1,0,0,0,0,0|1,0,2]=4 78 B10R0.4 CCCCC#CCCC(N)=O Amb28079736 [1,0,0,0,0,0|1,0,2]=4 79 B10R0.4 CCCCCC#CCC(=O)Cl Amb27672073 [1,0,0,0,0,0|1,0,2]=4 80 B10R0.4 CCCCCCC#CC(=O)O Amb2780028 [1,0,0,0,0,0|0,0,2]=3 81 B10R0.4 CCCCCCC#CC(C)=O Amb27672631 [1,0,0,0,0,0|1,0,2]=4 82 B10R0.4 CCCCCCCCB(O)O Amb2456044 [1,0,0,0,0,0|1,0,1]=3 83 B10R0.4 CCCCCCCCC(=O)Cl Amb3941485 [1,0,0,0,0,0|1,0,0]=2 84 B10R0.4 CCCCCCCCC(=O)O Amb3940373 [1,0,0,0,0,0|0,0,0]=1 85 B10R0.4 CCCCCCCCC(=O)[O-] Amb22729912 [1,0,0,0,0,0|0,0,1]=2 86 B10R0.4 CCCCCCCCC(C)=O Amb8513861 [1,0,0,0,0,0|1,0,0]=2 87 B10R0.4 CCCCCCCCC(C)Br Amb22731670 [1,0,0,0,0,0|2,0,1]=4 88 B10R0.4 CCCCCCCCC(C)C Amb20241015 [1,0,0,0,0,0|2,0,1]=4 89 B10R0.4 CCCCCCCCC(N)=O Amb8999041 [1,0,0,0,0,0|1,0,0]=2 90 B10R0.4 CCCCCCCCN(C)C Amb2778778 [1,0,0,0,0,0|3,0,0]=4 91 B10R0.4 CCCCCCCC[C@@H](C)O Amb19929333 [1,0,0,0,0,0|1,0,1]=3 92 B10R0.4 CCCCCCCC[S@@+](C)[O-] Amb17779184 [1,0,0,0,0,0|2,0,1]=4 93 B10R0.4 CCCCCCCNC(N)=S Amb2688655 [1,0,0,0,0,0|2,1,0]=4 94 B10R0.4 CCCCCCCOC(=O)Cl Amb19886548 [1,0,0,0,0,0|2,0,0]=3 95 B10R0.4 CCCCCCCOC(C)=O Amb6366320 [1,0,0,0,0,0|2,0,0]=3 96 B10R0.4 CCCCCCCOC(N)=O Amb32668733 [1,0,0,0,0,0|2,0,0]=3 97 B10R0.4 CCCCCCCSC(=N)N Amb22487432 [1,0,0,0,0,0|3,0,0]=4 98 B10R0.4 CCCCCCNCC(=O)O Amb8827565 [1,0,0,0,0,0|1,0,0]=2 99 B10R0.4 CCCCCCNCC(C)O Amb9247474 [1,0,0,0,0,0|2,0,1]=4 100 B10R0.4 CCCCCCOCC(=O)O Amb7790032 [1,0,0,0,0,0|1,0,0]=2 101 B10R0.4 CCCCCC\C=C\C(=O)O Amb3940553 [1,0,0,0,0,0|0,0,2]=3 102 B10R0.4 CCCCCC\C=C\C(C)=O Amb22052629 [1,0,0,0,0,0|1,0,2]=4 103 B10R0.4 CCCCCNCCC(=O)O Amb7755694 [1,0,0,0,0,0|1,0,0]=2 104 B10R0.4 CCCCSCCCC(=O)O Amb9280591 [1,0,0,0,0,0|1,0,0]=2 105 B10R0.4 CCCNCCCOC(C)=O Amb18924647 [1,0,0,0,0,0|3,0,0]=4 106 B10R0.4 CCC\C=C\CCCC(=O)O Amb33079428 [1,0,0,0,0,0|0,0,2]=3 107 B10R0.4 CCNCCOCCC(C)=O Amb18630736 [1,0,0,0,0,0|3,0,0]=4 108 B10R0.4 CCOCCCCCC(=O)O Amb22234334 [1,0,0,0,0,0|1,0,0]=2 109 B10R0.4 CCOCCOCCC(=O)O Amb6273854 [1,0,0,0,0,0|2,0,0]=3 110 B10R0.4 CCOCCOCCC(N)=O Amb18797953 [1,0,0,0,0,0|3,0,0]=4 111 B10R0.4 CNCCOCCCC(=O)O Amb18106300 [1,0,0,0,0,0|2,0,0]=3 112 B10R0.4 COCCCNCCC(=O)O Amb8841109 [1,0,0,0,0,0|2,0,0]=3 113 B10R0.4 COCCCNCCC(C)=O Amb32675820 [1,0,0,0,0,0|3,0,0]=4 114 B10R0.4 COCCCOCCC(=O)O Amb18180046 [1,0,0,0,0,0|2,0,0]=3 115 B10R0.4 COCCOCCCC(=O)O Amb6271198 [1,0,0,0,0,0|2,0,0]=3 116 B10R0.4 CSCCCCCCC(=O)O Amb28652939 [1,0,0,0,0,0|1,0,0]=2 117 B10R0.4 N#CCCNCCCC(=O)O Amb17315317 [1,0,0,0,0,0|2,0,1]=4 118 B10R0.4 N#CCCSCCCC(=O)O Amb17502410 [1,0,0,0,0,0|2,0,1]=4 119 B10R0.4 NCCCCCCCC(=O)O Amb19929586 [1,0,0,0,0,0|1,0,0]=2 120 B10R0.4 NCCCCCCCC(=O)O Amb1994908 [1,0,0,0,0,0|1,0,0]=2 121 B10R0.4 NCCCCCCNC(=O)O Amb22494605 [1,0,0,0,0,0|2,0,0]=3 122 B10R0.4 NCCCNCCCC(=O)O Amb18183427 [1,0,0,0,0,0|2,0,0]=3 123 B10R0.4 NCCCNCCCC(=O)O Amb33172775 [1,0,0,0,0,0|2,0,0]=3 124 B10R0.4 NCCCOCCCC(=O)O Amb18111568 [1,0,0,0,0,0|2,0,0]=3 125 B10R0.4 NCCCSCCCC(=O)O Amb17500719 [1,0,0,0,0,0|2,0,0]=3 126 B10R0.4 NCCOCCOCC(=O)O Amb10602483 [1,0,0,0,0,0|3,0,0]=4 127 B10R0.4 NCCOCCOCC(=O)O Amb16232535 [1,0,0,0,0,0|3,0,0]=4 128 B10R0.4 O=C(O)CCCCC#CCBr Amb27673513 [1,0,0,0,0,0|1,0,2]=4 129 B10R0.4 O=C(O)CCCCCCCBr Amb3940372 [1,0,0,0,0,0|1,0,0]=2 130 B10R0.4 O=C(O)CCCCCCCO Amb2688777 [1,0,0,0,0,0|1,0,0]=2 131 B10R0.4 O=C(O)CCCCCN=C=S Amb33194376 [1,0,0,0,0,0|2,0,1]=4 132 B10R0.4 O=C(O)CCCCOCCO Amb7782972 [1,0,0,0,0,0|2,0,0]=3 133 B10R0.4 O=C(O)CCCSCCCO Amb17502860 [1,0,0,0,0,0|2,0,0]=3 134 B10R0.4 O=C(O)COCCOCCCl Amb33719367 [1,0,0,0,0,0|3,0,0]=4 135 B10R0.4 O=C(O)COCCOCCO Amb24057830 [1,0,0,0,0,0|3,0,0]=4 136 B10R0.4 O=C([O-])CCCCCCCO Amb33513015 [1,0,0,0,0,0|1,0,1]=3 137 B10R0.4 O=C=NCCCCCC(=O)O Amb32667106 [1,0,0,0,0,0|2,0,1]=4 138 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O Amb19516608 [1,0,0,0,0,0|3,0,0]=4 139 B10R0.71 BrCCCCCCCCCBr Amb8513101 [1,0,0,0,0,0|2,0,1]=4 140 B10R0.71 C#CCCCCCCCCO Amb16231465 [1,0,0,0,0,0|0,0,3]=4 141 B10R0.71 C=CCCCCCCCC=O Amb22734770 [1,0,0,0,0,0|0,0,2]=3 142 B10R0.71 C=CCCCCCCCCBr Amb9786895 [1,0,0,0,0,0|2,0,0]=3 143 B10R0.71 C=CCCCCCCCCN Amb28652858 [1,0,0,0,0,0|2,0,0]=3 144 B10R0.71 C=CCCCCCCCCN Amb32653011 [1,0,0,0,0,0|2,0,0]=3 145 B10R0.71 C=CCCCCCCCCO Amb6364973 [1,0,0,0,0,0|2,0,0]=3 146 B10R0.71 CCCCC#CCCNC=O Amb27272587 [1,0,0,0,0,0|1,0,2]=4 147 B10R0.71 CCCCCCCC#CCO Amb17774678 [1,0,0,0,0,0|0,0,3]=4 148 B10R0.71 CCCCCCCCCC=O Amb3940437 [1,0,0,0,0,0|0,0,0]=1 149 B10R0.71 CCCCCCCCCCBr Amb2721517 [1,0,0,0,0,0|1,0,1]=3 150 B10R0.71 CCCCCCCCCCCl Amb8513081 [1,0,0,0,0,0|1,0,1]=3 151 B10R0.71 CCCCCCCCCCF Amb2688085 [1,0,0,0,0,0|1,0,1]=3 152 B10R0.71 CCCCCCCCCCI Amb3940280 [1,0,0,0,0,0|1,0,1]=3 153 B10R0.71 CCCCCCCCCCN Amb3940460 [1,0,0,0,0,0|1,0,1]=3 154 B10R0.71 CCCCCCCCCCO Amb3940390 [1,0,0,0,0,0|0,0,1]=2 155 B10R0.71 CCCCCCCCCCS Amb9787174 [1,0,0,0,0,0|0,1,1]=3 156 B10R0.71 CCCCCCCCCNC Amb10609826 [1,0,0,0,0,0|2,0,0]=3 157 B10R0.71 CCCCCCCCCNC Amb7761761 [1,0,0,0,0,0|2,0,0]=3 158 B10R0.71 CCCCCCCCN=C=O Amb3940552 [1,0,0,0,0,0|1,0,1]=3 159 B10R0.71 CCCCCCCCN=C=S Amb6572519 [1,0,0,0,0,0|1,1,1]=4 160 B10R0.71 CCCCCCCCNC=O Amb9787543 [1,0,0,0,0,0|1,0,0]=2 161 B10R0.71 CCCCCCCCOCC Amb9787535 [1,0,0,0,0,0|2,0,1]=4 162 B10R0.71 CCCCCCCCOCCl Amb22230404 [1,0,0,0,0,0|2,0,1]=4 163 B10R0.71 CCCCCCCCSCC Amb17672979 [1,0,0,0,0,0|2,0,1]=4 164 B10R0.71 CCCCCCCNCCC Amb4313521 [1,0,0,0,0,0|2,0,1]=4 165 B10R0.71 CCCCCCCNCCO Amb7809068 [1,0,0,0,0,0|1,0,1]=3 166 B10R0.71 CCCCCCCOCCO Amb8515986 [1,0,0,0,0,0|1,0,1]=3 167 B10R0.71 CCCCCCCSCCN Amb7794934 [1,0,0,0,0,0|2,0,1]=4 168 B10R0.71 CCCCCCCSCCO Amb7968786 [1,0,0,0,0,0|1,0,1]=3 169 B10R0.71 CCCCCCC\C=C\C=O Amb8517160 [1,0,0,0,0,0|0,0,2]=3 170 B10R0.71 CCCCCCNCCC#N Amb2688717 [1,0,0,0,0,0|2,0,1]=4 171 B10R0.71 CCCCCCNCCCC Amb6730566 [1,0,0,0,0,0|2,0,1]=4 172 B10R0.71 CCCCCCNCCCN Amb17315272 [1,0,0,0,0,0|2,0,1]=4 173 B10R0.71 CCCCCCNCCCO Amb7758124 [1,0,0,0,0,0|1,0,1]=3 174 B10R0.71 CCCCCCNCCOC Amb7760715 [1,0,0,0,0,0|3,0,0]=4 175 B10R0.71 CCCCCCOCCC#N Amb7792025 [1,0,0,0,0,0|2,0,1]=4 176 B10R0.71 CCCCCCOCCCN Amb7764734 [1,0,0,0,0,0|2,0,1]=4 177 B10R0.71 CCCCCC\C=C\CCO Amb22641690 [1,0,0,0,0,0|0,0,3]=4 178 B10R0.71 CCCCCNCCCCC Amb3941371 [1,0,0,0,0,0|2,0,1]=4 179 B10R0.71 CCCCCNCCCOC Amb6730381 [1,0,0,0,0,0|3,0,0]=4 180 B10R0.71 CCCCCSCCCCC Amb4020127 [1,0,0,0,0,0|2,0,1]=4 181 B10R0.71 CCCCCSCCCCN Amb17500943 [1,0,0,0,0,0|2,0,1]=4 182 B10R0.71 CCCCC\C=C\CCC=O Amb33512982 [1,0,0,0,0,0|0,0,2]=3 183 B10R0.71 CCCCNCCNCCO Amb32454894 [1,0,0,0,0,0|2,0,1]=4 184 B10R0.71 CCCCNCCOCCO Amb6736236 [1,0,0,0,0,0|2,0,1]=4 185 B10R0.71 CCCCOCCOCCO Amb8513428 [1,0,0,0,0,0|2,0,1]=4 186 B10R0.71 CCCCOCCSCCO Amb9787502 [1,0,0,0,0,0|2,0,1]=4 187 B10R0.71 CCCCSCCOCCO Amb9786123 [1,0,0,0,0,0|2,0,1]=4 188 B10R0.71 CCCNCCCCCOC Amb18797681 [1,0,0,0,0,0|3,0,0]=4 189 B10R0.71 CCNCCCNCCCO Amb20171980 [1,0,0,0,0,0|2,0,1]=4 190 B10R0.71 COCCOCCOCC=O Amb32668382 [1,0,0,0,0,0|3,0,0]=4 191 B10R0.71 ClCCCCCCCCCCl Amb8513111 [1,0,0,0,0,0|2,0,1]=4 192 B10R0.71 ICCCCCCCCCI Amb20242392 [1,0,0,0,0,0|2,0,1]=4 193 B10R0.71 N#CCCCCCCCCO Amb22641582 [1,0,0,0,0,0|1,0,2]=4 194 B10R0.71 NCCCCCCCCCN Amb8513818 [1,0,0,0,0,0|2,0,1]=4 195 B10R0.71 NCCCCCCCCCO Amb34183942 [1,0,0,0,0,0|1,0,1]=3 196 B10R0.71 OCCCCCCCCCBr Amb2694968 [1,0,0,0,0,0|1,0,1]=3 197 B10R0.71 OCCCCCCCCCI Amb32410519 [1,0,0,0,0,0|1,0,1]=3 198 B10R0.71 OCCCCCCCCCO Amb2721246 [1,0,0,0,0,0|1,0,1]=3 199 B10R0.71 OCCCCNCCCCO Amb21858890 [1,0,0,0,0,0|2,0,1]=4 200 B10R0.71 OCCCCOCCCCCl Amb32663942 [1,0,0,0,0,0|2,0,1]=4 201 B10R0.71 OCCOCCCCCCCl Amb33719365 [1,0,0,0,0,0|2,0,1]=4 202 B10R0.71 SCCCCCCCCCS Amb8513270 [1,0,0,0,0,0|1,1,1]=4 203 B12R0.4 CCCCCCCC(=O)CC(C)=O Amb19068864 [0,1,0,0,0,0|1,0,1]=3 204 B12R0.4 CCCCCCCC(C)OC(C)=O Amb22734609 [0,1,0,0,0,0|2,0,0]=3 205 B12R0.4 CCCCCCCC(N)CC(=O)O Amb32666363 [0,1,0,0,0,0|0,0,0]=1 206 B12R0.4 CCCCCCCC(N)CC(=O)O Amb33141063 [0,1,0,0,0,0|0,0,0]=1 207 B12R0.4 CCCCCCCC(N)CC(=O)O Amb33533164 [0,1,0,0,0,0|0,0,0]=1 208 B12R0.4 CCCCCCCC(N)CC(N)=O Amb33253906 [0,1,0,0,0,0|1,0,0]=2 209 B12R0.4 CCCCCCCC(O)CC(=O)O Amb19071697 [0,1,0,0,0,0|0,0,0]=1 210 B12R0.4 CCCCCCCC(O)CC(C)C Amb19070434 [0,1,0,0,0,0|2,0,1]=4 211 B12R0.4 CCCCCCC[C@@H](N)CC(=O)O Amb33172824 [0,1,0,0,0,0|0,0,0]=1 212 B12R0.4 CCCCCCC[C@@H](N)CC(=O)O Amb33172825 [0,1,0,0,0,0|0,0,0]=1 213 B12R0.4 CCCCCCC[C@H](O)CC(=O)O Amb33620732 [0,1,0,0,0,0|0,0,0]=1 214 B12R0.4 CCCCCCOC(C)NC(C)=O Amb24096324 [0,1,0,0,0,0|3,0,0]=4 215 B12R0.95 CCCCC(=O)CCCCC(=O)O Amb6305232 [0,1,0,0,0,0|0,0,1]=2 216 B12R0.95 CCCCC(=O)NCCCC(=O)O Amb5741970 [0,1,0,0,0,0|1,0,1]=3 217 B12R0.119 CCCCCCCCCS(=O)(=O)Cl Amb22387375 [0,1,0,0,0,0|1,0,1]=3 218 B12R0.119 CCCCCCCCCS(=O)(=O)F Amb32755112 [0,1,0,0,0,0|1,0,1]=3 219 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] Amb8515940 [0,1,0,0,0,0|1,0,1]=3 220 B12R0.119 CCCCCCCCCS(N)(=O)=O Amb32715391 [0,1,0,0,0,0|1,0,1]=3 221 B12R0.119 CCCCCCCCOS(=O)(=O)[O-] Amb8516739 [0,1,0,0,0,0|2,0,1]=4 222 B12R0.119 CCCCCCOCCS(=O)(=O)Cl Amb32940011 [0,1,0,0,0,0|2,0,1]=4 223 B12R0.119 CCCCCOCCCS(=O)(=O)Cl Amb32939811 [0,1,0,0,0,0|2,0,1]=4 224 B12R0.119 CCCCOCCCCS(=O)(=O)Cl Amb32940392 [0,1,0,0,0,0|2,0,1]=4 225 B12R0.119 CCCOCCCCCS(=O)(=O)Cl Amb32939825 [0,1,0,0,0,0|2,0,1]=4 226 B12R0.119 CCOCCCCCCS(=O)(=O)Cl Amb32939864 [0,1,0,0,0,0|2,0,1]=4 227 B12R0.184 CCC(=O)NCCCCCC(=O)O Amb1137874 [0,1,0,0,0,0|1,0,1]=3 228 B12R0.184 COC(=O)CCCCCCC(=O)O Amb3940370 [0,1,0,0,0,0|1,0,1]=3 229 B12R0.184 O=C(O)CCCCCNC(=O)CCl Amb2282836 [0,1,0,0,0,0|2,0,1]=4 230 B12R0.233 C=CCCCC(O)CCCC(=O)[O-] Amb32751163 [0,1,0,0,0,0|0,0,3]=4 231 B12R0.233 CCCCCC(=O)CCCC(=O)O Amb6305235 [0,1,0,0,0,0|0,0,1]=2 232 B12R0.233 CCCCCC(C)NCCC(C)O Amb33455994 [0,1,0,0,0,0|2,0,1]=4 233 B12R0.233 CCCCNC(=O)COCC(=O)O Amb1888825 [0,1,0,0,0,0|2,0,1]=4 234 B12R0.234 C#CCCCCCCCCC(=O)O Amb536933 [0,1,0,0,0,0|0,0,1]=2 235 B12R0.234 C=C(Br)CCCCCCCCCC Amb6298937 [0,1,0,0,0,0|2,0,0]=3 236 B12R0.234 C=C(Cl)CCCCCCCCCC Amb6298931 [0,1,0,0,0,0|2,0,0]=3 237 B12R0.234 C=CCCCCCCCCC(=O)Cl Amb2721637 [0,1,0,0,0,0|1,0,1]=3 238 B12R0.234 C=CCCCCCCCCC(=O)O Amb533736 [0,1,0,0,0,0|0,0,1]=2 239 B12R0.234 CC#CCCCCCCCC(=O)O Amb6565389 [0,1,0,0,0,0|0,0,1]=2 240 B12R0.234 CC(=O)NCCCNCCCCN Amb22641893 [0,1,0,0,0,0|3,0,0]=4 241 B12R0.234 CC(=O)OCCCCCCCCBr Amb24063233 [0,1,0,0,0,0|2,0,0]=3 242 B12R0.234 CCCCCCCCCCB(O)O Amb19958787 [0,1,0,0,0,0|1,0,1]=3 243 B12R0.234 CCCCCCCCCCC(=O)Cl Amb9787304 [0,1,0,0,0,0|1,0,0]=2 244 B12R0.234 CCCCCCCCCCC(=O)O Amb3941499 [0,1,0,0,0,0|0,0,0]=1 245 B12R0.234 CCCCCCCCCCC(C)=O Amb6366439 [0,1,0,0,0,0|1,0,0]=2 246 B12R0.234 CCCCCCCCCCC(C)N Amb8869702 [0,1,0,0,0,0|2,0,1]=4 247 B12R0.234 CCCCCCCCCCN(C)C Amb9787202 [0,1,0,0,0,0|3,0,0]=4 248 B12R0.234 CCCCCCCCCOC(=S)[S-] Amb534232 [0,1,0,0,0,0|0,2,0]=3 249 B12R0.234 CCCCCCCCCOC(C)=O Amb6366259 [0,1,0,0,0,0|1,0,0]=2 250 B12R0.234 CCCCCCCCOCC(=O)O Amb7790043 [0,1,0,0,0,0|0,0,0]=1 251 B12R0.234 CCCCCCCC\C=C\C(=O)O Amb33987634 [0,1,0,0,0,0|0,0,1]=2 252 B12R0.234 CCOCCOCCCCC(=O)O Amb9207787 [0,1,0,0,0,0|1,0,0]=2 253 B12R0.234 COCCOCCOCCC(=O)O Amb16184341 [0,1,0,0,0,0|2,0,0]=3 254 B12R0.234 N#CCCCCCCCCC(=O)O Amb4008315 [0,1,0,0,0,0|0,0,1]=2 255 B12R0.234 NCCCCCCCCCC(=O)O Amb2229638 [0,1,0,0,0,0|0,0,0]=1 256 B12R0.234 NCCCCCCCCCC(=O)O Amb31030991 [0,1,0,0,0,0|0,0,0]=1 257 B12R0.234 NCCOCCSCCCC(=O)O Amb17502011 [0,1,0,0,0,0|2,0,0]=3 258 B12R0.234 O=C(O)CCCCCCCC#CBr Amb32422815 [0,1,0,0,0,0|0,0,2]=3 259 B12R0.234 O=C(O)CCCCCCCCCBr Amb4014619 [0,1,0,0,0,0|0,0,0]=1 260 B12R0.234 O=C(O)CCCCCCCCCO Amb3940517 [0,1,0,0,0,0|0,0,0]=1 261 B12R0.234 O=C(O)CCCCCCCN=C=S Amb33471542 [0,1,0,0,0,0|1,0,1]=3 262 B12R0.234 O=C(O)\C=C\CCCCCCCO Amb33757093 [0,1,0,0,0,0|0,0,2]=3 263 B12R0.234 O=C=NCCCCCCCC(=O)O Amb32665820 [0,1,0,0,0,0|1,0,1]=3 264 B12R0.234 [N-]=[N+]=NCCCCCCCC(=O)O Amb34932690 [0,1,0,0,0,0|2,0,0]=3 265 B12R0.248 C=CC(=O)NCCCCCCCC Amb28556071 [0,1,0,0,0,0|2,0,0]=3 266 B12R0.248 C=CC(=O)OCCCCCCCC Amb2778626 [0,1,0,0,0,0|2,0,0]=3 267 B12R0.248 C=CCCCCCCCC(=O)OC Amb533244 [0,1,0,0,0,0|0,0,2]=3 268 B12R0.248 CCCCCCCCCC(=O)NN Amb6530432 [0,1,0,0,0,0|1,0,0]=2 269 B12R0.248 CCCCCCCCCC(=O)NO Amb33548521 [0,1,0,0,0,0|0,0,0]=1 270 B12R0.248 CCCCCCCCCC(=O)OC Amb4378003 [0,1,0,0,0,0|0,0,0]=1 271 B12R0.248 CCCCCCCCCC(C)C=O Amb3940427 [0,1,0,0,0,0|1,0,1]=3 272 B12R0.248 CCCCCCCCNC(=O)CBr Amb17329848 [0,1,0,0,0,0|2,0,0]=3 273 B12R0.248 CCCCCCCCNC(=O)CCl Amb9786173 [0,1,0,0,0,0|2,0,0]=3 274 B12R0.248 CCCCCCCCNC(=O)CN Amb24115163 [0,1,0,0,0,0|2,0,0]=3 275 B12R0.248 CCCCCCCCNC(=S)NN Amb2689974 [0,1,0,0,0,0|2,1,0]=4 276 B12R0.248 CCCCCCCCOC(=O)CN Amb2688623 [0,1,0,0,0,0|2,0,0]=3 277 B12R0.248 CCCCCCCCOC(=O)C[NH3+] Amb22049491 [0,1,0,0,0,0|2,0,0]=3 278 B12R0.248 CCCCC\C=C/CCC(=O)OC Amb24093816 [0,1,0,0,0,0|0,0,2]=3 279 B12R0.248 CCCCOCCCNC(=O)CBr Amb17329849 [0,1,0,0,0,0|3,0,0]=4 280 B12R0.248 CCCCOCCCNC(=O)CN Amb24115103 [0,1,0,0,0,0|3,0,0]=4 281 B12R0.248 CCNCCOCCCC(=O)OC Amb18107249 [0,1,0,0,0,0|2,0,0]=3 282 B12R0.248 COC(=O)CCCCCCCC=O Amb8391799 [0,1,0,0,0,0|1,0,1]=3 283 B12R0.248 COC(=O)CCCCCCCCBr Amb34913614 [0,1,0,0,0,0|1,0,0]=2 284 B12R0.248 COC(=O)CCCCCCCCO Amb17616943 [0,1,0,0,0,0|1,0,0]=2 285 B12R0.248 COC(=O)CCCCCCN=[N+]=[N-] Amb33711870 [0,1,0,0,0,0|3,0,0]=4 286 B12R0.248 COC(=O)CCCSCCCCN Amb17500973 [0,1,0,0,0,0|2,0,0]=3 287 B12R0.248 COCCCCCNCC(=O)OC Amb33133279 [0,1,0,0,0,0|2,0,0]=3 288 B12R0.251 C=CCCCCCC[C@@H](N)C(=O)O Amb33802212 [0,1,0,0,0,0|0,0,2]=3 289 B12R0.251 C=CCCCCCC[C@H](N)C(=O)O Amb33802213 [0,1,0,0,0,0|0,0,2]=3 290 B12R0.251 CCCCCCCCC(Br)C(=O)O Amb22347926 [0,1,0,0,0,0|0,0,0]=1 291 B12R0.251 CCCCCCCCC(C)C(=O)O Amb19058533 [0,1,0,0,0,0|0,0,0]=1 292 B12R0.251 CCCCCCCCC(F)=C(F)F Amb10840896 [0,1,0,0,0,0|2,0,1]=4 293 B12R0.251 CCCCCCCCC(N)C(=O)O Amb4134809 [0,1,0,0,0,0|0,0,0]=1 294 B12R0.251 CCCCCCCCC(N)C(N)=O Amb32937043 [0,1,0,0,0,0|1,0,0]=2 295 B12R0.251 CCCCCCCCC(O)C(=O)O Amb6295799 [0,1,0,0,0,0|0,0,0]=1 296 B12R0.251 CCCCCCCCN(C)C(C)=O Amb24096791 [0,1,0,0,0,0|2,0,0]=3 297 B12R0.251 CCCCCCCC[C@@H](N)C(=O)O Amb22745440 [0,1,0,0,0,0|0,0,0]=1 298 B12R0.251 CCCCCCCC[C@H](N)C(=O)O Amb28974737 [0,1,0,0,0,0|0,0,0]=1 299 B12R0.251 CCCCCCCSC(C)C(=O)O Amb7794235 [0,1,0,0,0,0|1,0,0]=2 300 B12R0.251 CCCCOCCNC(=O)C(=O)O Amb19077636 [0,1,0,0,0,0|2,0,1]=4 301 B12R0.251 CCCNCCSCC(=O)C(=O)O Amb33069824 [0,1,0,0,0,0|2,0,1]=4 302 B12R0.251 CCNCCCSCC(=O)C(=O)O Amb33069819 [0,1,0,0,0,0|2,0,1]=4 303 B12R0.251 CCOCCOCCC(N)C(=O)O Amb19041139 [0,1,0,0,0,0|2,0,0]=3 304 B12R0.251 CCOCCOCCC(N)C(N)=O Amb19040935 [0,1,0,0,0,0|3,0,0]=4 305 B12R0.251 CCOCCOCC[C@@H](N)C(=O)O Amb33308864 [0,1,0,0,0,0|2,0,0]=3 306 B12R0.251 CCOCCOCC[C@H](N)C(=O)O Amb33066024 [0,1,0,0,0,0|2,0,0]=3 307 B12R0.251 CNCCCCSCC(=O)C(=O)O Amb33069872 [0,1,0,0,0,0|2,0,1]=4 308 B12R0.251 COCCCOCCC(N)C(=O)O Amb19041138 [0,1,0,0,0,0|2,0,0]=3 309 B12R0.251 COCCCOCCC(N)C(N)=O Amb19040934 [0,1,0,0,0,0|3,0,0]=4 310 B12R0.251 COCCCOCC[C@@H](N)C(=O)O Amb33036667 [0,1,0,0,0,0|2,0,0]=3 311 B12R0.251 COCCCOCC[C@H](N)C(=O)O Amb33308728 [0,1,0,0,0,0|2,0,0]=3 312 B12R0.251 COCCOCCCC(N)C(=O)O Amb33036966 [0,1,0,0,0,0|2,0,0]=3 313 B12R0.251 COCCOCCCC(N)C(N)=O Amb33065407 [0,1,0,0,0,0|3,0,0]=4 314 B12R0.251 COCCOCCC[C@@H](N)C(=O)O Amb33308666 [0,1,0,0,0,0|2,0,0]=3 315 B12R0.251 COCCOCCC[C@H](N)C(=O)O Amb33034716 [0,1,0,0,0,0|2,0,0]=3 316 B12R0.251 NCCCCCSCC(=O)C(=O)O Amb33069796 [0,1,0,0,0,0|2,0,1]=4 317 B12R0.251 NCCCCNCC[C@@H](N)C(=O)O Amb31031097 [0,1,0,0,0,0|2,0,0]=3 318 B12R0.251 NCCCNCCC[C@@H](N)C(=O)O Amb31031096 [0,1,0,0,0,0|2,0,0]=3 319 B12R0.251 O=C(O)C(=O)CSCCCCCBr Amb33069745 [0,1,0,0,0,0|2,0,1]=4 320 B12R0.251 O=C(O)C(=O)CSCCCCCCl Amb33069763 [0,1,0,0,0,0|2,0,1]=4 321 B12R0.251 O=C(O)C(=O)CSCCCCCO Amb33069713 [0,1,0,0,0,0|2,0,1]=4 322 B12R0.251 O=C(O)C(=O)CSCCCCCS Amb33069990 [0,1,0,0,0,0|2,0,1]=4 323 B12R0.255 CCCCCCC(=O)NCC(=O)O Amb9013683 [0,1,0,0,0,0|1,0,1]=3 324 B12R0.255 CCCCCCC(C)NCC(C)O Amb9359357 [0,1,0,0,0,0|2,0,1]=4 325 B12R0.255 CCCCCCC(O)CCC(=O)O Amb19071689 [0,1,0,0,0,0|0,0,0]=1 326 B12R0.255 CCCCCCC(O)CCC(=O)[O-] Amb19149307 [0,1,0,0,0,0|0,0,1]=2 327 B12R0.255 CCCCCCC(O)CCC(=O)[O-] Amb31145472 [0,1,0,0,0,0|0,0,1]=2 328 B12R0.255 CCCCCNC(=O)CCC(=O)Cl Amb17143340 [0,1,0,0,0,0|2,0,1]=4 329 B12R0.255 CCCCCNC(=O)CCC(N)=O Amb17143033 [0,1,0,0,0,0|2,0,1]=4 330 B12R0.255 COCCCCN(C)CCC(=O)O Amb33339167 [0,1,0,0,0,0|2,0,0]=3 331 B12R0.255 COCCCNC(=O)CCC(=O)O Amb2102010 [0,1,0,0,0,0|2,0,1]=4 332 B12R0.268 C=C(F)CCCCCCCC(=O)O Amb22641501 [0,1,0,0,0,0|0,0,2]=3 333 B12R0.268 CC(=O)CCCCCCCC(=O)O Amb17938671 [0,1,0,0,0,0|0,0,1]=2 334 B12R0.268 CC(=O)CCCCC\C=C\C(=O)O Amb2610938 [0,1,0,0,0,0|0,0,3]=4 335 B12R0.268 CC(C)CCCCCCCC(=O)O Amb24117911 [0,1,0,0,0,0|0,0,0]=1 336 B12R0.268 CC(C)CCOCCCCC(=O)O Amb9207788 [0,1,0,0,0,0|1,0,0]=2 337 B12R0.268 CC(C)SCCCCCCC(=O)O Amb32410629 [0,1,0,0,0,0|1,0,0]=2 338 B12R0.268 O=C(Cl)CCCCCCCC(=O)Cl Amb3940246 [0,1,0,0,0,0|2,0,1]=4 339 B12R0.268 O=C(O)CCCCCCCC(=O)O Amb33550139 [0,1,0,0,0,0|1,0,1]=3 340 B12R0.268 O=C(O)CCCNCCCC(=O)O Amb30988047 [0,1,0,0,0,0|2,0,1]=4 341 B12R0.277 CCCC(=O)CCCCCC(=O)O Amb6305242 [0,1,0,0,0,0|0,0,1]=2 342 B12R0.277 CCOC(=O)CCCCCC(=O)O Amb2692048 [0,1,0,0,0,0|1,0,1]=3 343 B12R1.7 CCCC#CCC1CCC(=O)O1 Amb22172847 [0,0,0,1,0,0|0,0,2]=3 344 B12R1.7 CCCCCCC1CCC(=O)O1 Amb569753 [0,0,0,1,0,0|0,0,0]=1 345 B12R1.7 CCCCCCC1OCC(C)O1 Amb9787442 [0,0,0,1,0,0|2,0,1]=4 346 B12R1.28 C#CCCCC1CCCC(=O)C1 Amb28126616 [0,0,0,1,0,0|1,0,2]=4 347 B12R1.28 CCCCCC1CCCC(=O)O1 Amb4493671 [0,0,0,1,0,0|0,0,0]=1 348 B12R1.28 CCCCNC1=CC(=O)CCC1 Amb25258387 [0,0,0,1,0,0|2,0,1]=4 349 B12R1.28 CCCNCC1CCCC(=O)N1 Amb32721825 [0,0,0,1,0,0|2,0,0]=3 350 B12R1.28 CCCOCC1CCNC(=O)C1 Amb32654949 [0,0,0,1,0,0|3,0,0]=4 351 B12R1.28 CC\C=C\CC1CCCC(=O)O1 Amb25227687 [0,0,0,1,0,0|0,0,2]=3 352 B12R1.75 C=C(C)CC1CCCCC1CN Amb27468140 [0,0,0,1,0,0|3,0,0]=4 353 B12R1.75 CC(=O)CN1CCCCC1CO Amb18806940 [0,0,0,1,0,0|3,0,0]=4 354 B12R1.75 CC(=O)C[C@H]1CCCC[C@H]1C=O Amb28429561 [0,0,0,1,0,0|2,0,1]=4 355 B12R1.75 CC(=O)NC1CCCCC1CN Amb27257787 [0,0,0,1,0,0|3,0,0]=4 356 B12R1.75 CC(=O)NC1CCCCC1CO Amb27868462 [0,0,0,1,0,0|3,0,0]=4 357 B12R1.75 CC(=O)N[C@H]1CCCC[C@H]1CO Amb28428478 [0,0,0,1,0,0|3,0,0]=4 358 B12R1.75 CC(=O)O[C@H]1CCCC[C@@H]1CO Amb27420620 [0,0,0,1,0,0|3,0,0]=4 359 B12R1.75 CCC1CCCCC1CC(=O)O Amb25152261 [0,0,0,1,0,0|0,0,0]=1 360 B12R1.75 CCC1CCCCC1CC(C)=O Amb27495385 [0,0,0,1,0,0|1,0,0]=2 361 B12R1.75 CCC1CCCCC1NC(=O)Cl Amb35625776 [0,0,0,1,0,0|2,0,0]=3 362 B12R1.75 CCC1CCCCC1NC(N)=S Amb19058801 [0,0,0,1,0,0|2,1,0]=4 363 B12R1.75 CCC1CCCCC1OC(=O)Cl Amb27181224 [0,0,0,1,0,0|2,0,0]=3 364 B12R1.75 CCC1CCCCC1OC(C)=O Amb27766398 [0,0,0,1,0,0|2,0,0]=3 365 B12R1.75 CCC1CCCCN1CC(=O)Cl Amb17143064 [0,0,0,1,0,0|2,0,0]=3 366 B12R1.75 CCC1CCCCN1CC(=O)O Amb5380767 [0,0,0,1,0,0|1,0,0]=2 367 B12R1.75 CCC1CCCCN1CC(C)O Amb18794118 [0,0,0,1,0,0|2,0,1]=4 368 B12R1.75 CCC1CCCCN1CC(N)=O Amb17142913 [0,0,0,1,0,0|2,0,0]=3 369 B12R1.75 CCC1CCCCN1CC(N)=S Amb8894001 [0,0,0,1,0,0|2,1,0]=4 370 B12R1.75 CCC1CCCCN1C[N+](=O)[O-] Amb28138233 [0,0,0,1,0,0|2,0,1]=4 371 B12R1.75 CCC1CCCC\C1=C\C(=O)O Amb33468654 [0,0,0,1,0,0|0,0,2]=3 372 B12R1.75 CCC1CCNCC1NC(C)=O Amb32677496 [0,0,0,1,0,0|3,0,0]=4 373 B12R1.75 CCC1COCCN1CC(N)=O Amb18802914 [0,0,0,1,0,0|3,0,0]=4 374 B12R1.75 CCN1CCOCC1CC(=O)O Amb27814474 [0,0,0,1,0,0|2,0,0]=3 375 B12R1.75 CCN1CCOCC1CC(=O)O Amb33330660 [0,0,0,1,0,0|2,0,0]=3 376 B12R1.75 CCN1CCSCC1CC(=O)O Amb27952352 [0,0,0,1,0,0|2,0,0]=3 377 B12R1.75 CC[C@@H]1NCCC[C@H]1CC(=O)O Amb18198537 [0,0,0,1,0,0|1,0,0]=2 378 B12R1.75 CC[C@H]1CNCC[C@H]1CC(=O)Cl Amb28291338 [0,0,0,1,0,0|2,0,0]=3 379 B12R1.75 CC[C@H]1NCCC[C@@H]1CC(=O)O Amb27654051 [0,0,0,1,0,0|1,0,0]=2 380 B12R1.75 COC1CCCCC1NC(N)=O Amb27211770 [0,0,0,1,0,0|3,0,0]=4 381 B12R1.75 COC1CCCNC1CC(C)=O Amb18647523 [0,0,0,1,0,0|3,0,0]=4 382 B12R1.75 COC1CCOCC1CC(=O)O Amb18197607 [0,0,0,1,0,0|2,0,0]=3 383 B12R1.75 COC1CCSCC1CC(=O)O Amb18190928 [0,0,0,1,0,0|2,0,0]=3 384 B12R1.75 COC1COCCC1CC(=O)O Amb18197629 [0,0,0,1,0,0|2,0,0]=3 385 B12R1.75 COC1CSCCC1CC(=O)O Amb18189240 [0,0,0,1,0,0|2,0,0]=3 386 B12R1.75 COC1OCCCC1CC(=O)O Amb18197635 [0,0,0,1,0,0|2,0,0]=3 387 B12R1.75 CO[C@@H]1CCCC[C@@H]1NC(C)=O Amb28074111 [0,0,0,1,0,0|3,0,0]=4 388 B12R1.75 CO[C@H]1CCCC[C@@H]1NC(C)=O Amb27956180 [0,0,0,1,0,0|3,0,0]=4 389 B12R1.75 CO[C@H]1CCCC[C@@H]1NC(N)=O Amb28349618 [0,0,0,1,0,0|3,0,0]=4 390 B12R1.75 CSC1CCCCC1NC(=O)Cl Amb35633414 [0,0,0,1,0,0|3,0,0]=4 391 B12R1.75 CSC1CCCCC1NC(C)=O Amb28067814 [0,0,0,1,0,0|3,0,0]=4 392 B12R1.75 N#CC1CCCCC1CC(=O)O Amb18827227 [0,0,0,1,0,0|1,0,1]=3 393 B12R1.75 N#CN1CCCCC1CC(=O)O Amb35593361 [0,0,0,1,0,0|2,0,1]=4 394 B12R1.75 NC(=O)N[C@@H]1CCCC[C@H]1CO Amb27163786 [0,0,0,1,0,0|3,0,0]=4 395 B12R1.75 NCC1=C(CC(=O)O)CCCC1 Amb27645397 [0,0,0,1,0,0|1,0,2]=4 396 B12R1.75 NCC1CCCCC1CC(=O)O Amb10843836 [0,0,0,1,0,0|1,0,0]=2 397 B12R1.75 NCC1CCCCC1NC(N)=O Amb27208284 [0,0,0,1,0,0|3,0,0]=4 398 B12R1.75 NCC1CCCCC1OC(N)=O Amb28195875 [0,0,0,1,0,0|3,0,0]=4 399 B12R1.75 NCC1CCCCN1CC(=O)O Amb18982971 [0,0,0,1,0,0|2,0,0]=3 400 B12R1.75 NCC1CCCCN1CC(N)=O Amb6673910 [0,0,0,1,0,0|3,0,0]=4 401 B12R1.75 NNC1CCCCC1CC(=O)O Amb27960868 [0,0,0,1,0,0|2,0,0]=3 402 B12R1.75 NN[C@H]1CCCC[C@H]1CC(=O)O Amb27789570 [0,0,0,1,0,0|2,0,0]=3 403 B12R1.75 O=C(O)CC1CCCCC1CO Amb27392264 [0,0,0,1,0,0|1,0,0]=2 404 B12R1.75 O=C(O)CC1CCCC\C1=N/O Amb27974144 [0,0,0,1,0,0|2,0,1]=4 405 B12R1.75 O=C(O)CN1CCCCC1CO Amb18294605 [0,0,0,1,0,0|2,0,0]=3 406 B12R1.75 O=C(O)CN1CCOCC1CO Amb27254701 [0,0,0,1,0,0|3,0,0]=4 407 B12R1.81 CC(=O)NCC1CCCC1CBr Amb27178312 [0,0,0,1,0,0|3,0,0]=4 408 B12R1.81 CCC1NCCC1C#CC(=O)O Amb33169069 [0,0,0,1,0,0|1,0,2]=4 409 B12R1.81 CCC1OCCC1CNC(=O)Cl Amb35633570 [0,0,0,1,0,0|3,0,0]=4 410 B12R1.81 CCN1CCCC1CNC(=O)Cl Amb35614612 [0,0,0,1,0,0|3,0,0]=4 411 B12R1.81 CCN1CCCC1CNC(N)=O Amb9708648 [0,0,0,1,0,0|3,0,0]=4 412 B12R1.81 COC1CCCC1NCC(=O)O Amb18807777 [0,0,0,1,0,0|2,0,0]=3 413 B12R1.81 COC1CCCC1NCC(N)=O Amb18807414 [0,0,0,1,0,0|3,0,0]=4 414 B12R1.81 N#CC1CCCC1OCC(=O)O Amb33468830 [0,0,0,1,0,0|2,0,1]=4 415 B12R1.81 N#CN1CCCC1CCC(=O)O Amb29870342 [0,0,0,1,0,0|2,0,1]=4 416 B12R1.81 NC[C@@H]1CCCN1CCC(=O)O Amb33218395 [0,0,0,1,0,0|2,0,0]=3 417 B12R1.81 NC[C@H]1CCCN1CCC(=O)O Amb33218388 [0,0,0,1,0,0|2,0,0]=3 418 B12R1.81 O=C(O)CCC1CCC\C1=N/O Amb27233661 [0,0,0,1,0,0|2,0,1]=4 419 B12R1.125 C=C(C)CCC1CCCCC1N Amb27979472 [0,0,0,1,0,0|3,0,0]=4 420 B12R1.125 C=C(C)CCC1CCCCC1O Amb28062579 [0,0,0,1,0,0|3,0,0]=4 421 B12R1.125 C=C(C)CC[C@@H]1CCCC[C@H]1O Amb32950339 [0,0,0,1,0,0|3,0,0]=4 422 B12R1.125 C=C(C)CNC1CCCCC1C Amb17309025 [0,0,0,1,0,0|3,0,0]=4 423 B12R1.125 C=C1CCCCC1CCC(C)=O Amb27861159 [0,0,0,1,0,0|1,0,2]=4 424 B12R1.125 C=C1CCCCC1CCC(N)=O Amb28054855 [0,0,0,1,0,0|1,0,2]=4 425 B12R1.125 CC(=O)CCC1CCCCN1C Amb25034626 [0,0,0,1,0,0|2,0,0]=3 426 B12R1.125 CC(=O)CCC1OCCCC1O Amb28322044 [0,0,0,1,0,0|3,0,0]=4 427 B12R1.125 CC(=O)CCN1CCCCC1C Amb7755660 [0,0,0,1,0,0|2,0,0]=3 428 B12R1.125 CC(=O)CC[C@@H]1CCCCC1=O Amb28202304 [0,0,0,1,0,0|2,0,1]=4 429 B12R1.125 CC(=O)NCC1CCCCC1N Amb27190710 [0,0,0,1,0,0|3,0,0]=4 430 B12R1.125 CC(=O)NCC1CCCCC1O Amb27760777 [0,0,0,1,0,0|3,0,0]=4 431 B12R1.125 CC(=O)NCC1CCCCN1C Amb28201206 [0,0,0,1,0,0|3,0,0]=4 432 B12R1.125 CC(=O)NCC1CCNCC1C Amb26626243 [0,0,0,1,0,0|3,0,0]=4 433 B12R1.125 CC(=O)NC[C@H]1CCCC[C@@H]1O Amb27790347 [0,0,0,1,0,0|3,0,0]=4 434 B12R1.125 CC(=O)NC[C@H]1CCCC[C@H]1O Amb27208254 [0,0,0,1,0,0|3,0,0]=4 435 B12R1.125 CC(O)CCC1CCCCC1C Amb27874287 [0,0,0,1,0,0|1,0,1]=3 436 B12R1.125 CC(O)CCC1CCCCN1C Amb33323191 [0,0,0,1,0,0|2,0,1]=4 437 B12R1.125 CC(O)COC1CCCCC1C Amb18807458 [0,0,0,1,0,0|2,0,1]=4 438 B12R1.125 CC1CCCCC1CNC(=O)Cl Amb35625849 [0,0,0,1,0,0|2,0,0]=3 439 B12R1.125 CC1CCCCC1OCC(=O)O Amb9726703 [0,0,0,1,0,0|1,0,0]=2 440 B12R1.125 CC1CCCCC1OCC(N)=O Amb18802286 [0,0,0,1,0,0|2,0,0]=3 441 B12R1.125 CC1CCCCC1OC[C@@H](C)O Amb27177949 [0,0,0,1,0,0|2,0,1]=4 442 B12R1.125 CC1CCCCC1OC[C@H](C)O Amb27198617 [0,0,0,1,0,0|2,0,1]=4 443 B12R1.125 CC1CCCCN1CCC(=N)N Amb6275610 [0,0,0,1,0,0|3,0,0]=4 444 B12R1.125 CC1CCCCN1CCC(=O)Cl Amb17143073 [0,0,0,1,0,0|2,0,0]=3 445 B12R1.125 CC1CCCCN1CCC(=O)O Amb21953915 [0,0,0,1,0,0|1,0,0]=2 446 B12R1.125 CC1CCCCN1CCC(=O)O Amb2693037 [0,0,0,1,0,0|1,0,0]=2 447 B12R1.125 CC1CCCCN1CCC(N)=O Amb17142919 [0,0,0,1,0,0|2,0,0]=3 448 B12R1.125 CC1CCCCN1CCC(N)=S Amb6279739 [0,0,0,1,0,0|2,1,0]=4 449 B12R1.125 CC1CCCCN1\C=C\C(=O)O Amb28071417 [0,0,0,1,0,0|1,0,2]=4 450 B12R1.125 CC1CCCC\C1=N/CC(=O)O Amb27400353 [0,0,0,1,0,0|1,0,1]=3 451 B12R1.125 CC1CCCNC1CCS(C)=O Amb35677548 [0,0,0,1,0,0|3,0,0]=4 452 B12R1.125 CC1CCNCC1CNC(N)=O Amb27175423 [0,0,0,1,0,0|3,0,0]=4 453 B12R1.125 CC1CNCCC1C#CC(=O)O Amb33169019 [0,0,0,1,0,0|1,0,2]=4 454 B12R1.125 CC1CNCCC1CCC(=O)O Amb27858642 [0,0,0,1,0,0|1,0,0]=2 455 B12R1.125 CC1CNCCC1NCC(=O)O Amb27597159 [0,0,0,1,0,0|2,0,0]=3 456 B12R1.125 CC1SCCCC1OCC(=O)O Amb25117392 [0,0,0,1,0,0|2,0,0]=3 457 B12R1.125 CN1CCCCC1C#CC(=O)O Amb33169009 [0,0,0,1,0,0|1,0,2]=4 458 B12R1.125 CN1CCCCC1CCC(=O)O Amb10607785 [0,0,0,1,0,0|1,0,0]=2 459 B12R1.125 CN1CCCCC1CCC(=O)O Amb13949149 [0,0,0,1,0,0|1,0,0]=2 460 B12R1.125 CN1CCCCC1CCC(=O)O Amb28555723 [0,0,0,1,0,0|1,0,0]=2 461 B12R1.125 CN1CCCCC1CC[N+](=O)[O-] Amb33322709 [0,0,0,1,0,0|2,0,1]=4 462 B12R1.125 CN1CCCCC1CNC(=O)Cl Amb35625872 [0,0,0,1,0,0|3,0,0]=4 463 B12R1.125 CN1CCCCC1COC(=O)Cl Amb33297321 [0,0,0,1,0,0|3,0,0]=4 464 B12R1.125 CN1CCCCC1\C=C\C(=O)O Amb33323102 [0,0,0,1,0,0|1,0,2]=4 465 B12R1.125 CN1CCCN=C1CCC(=O)O Amb18825637 [0,0,0,1,0,0|2,0,1]=4 466 B12R1.125 CS(=O)CCC1CCCCC1N Amb27855611 [0,0,0,1,0,0|3,0,0]=4 467 B12R1.125 CS(=O)CCC1CCCCC1O Amb27628181 [0,0,0,1,0,0|3,0,0]=4 468 B12R1.125 C[C@@H](O)CCC1CCCCN1C Amb33322732 [0,0,0,1,0,0|2,0,1]=4 469 B12R1.125 C[C@@H]1COCCN1CCC(=O)O Amb27863121 [0,0,0,1,0,0|2,0,0]=3 470 B12R1.125 C[C@@H]1COCCN1CCC(N)=O Amb27806762 [0,0,0,1,0,0|3,0,0]=4 471 B12R1.125 C[C@H](O)CCC1CCCCN1C Amb33223884 [0,0,0,1,0,0|2,0,1]=4 472 B12R1.125 C[C@H](O)CCN1CCCC[C@H]1C Amb27261625 [0,0,0,1,0,0|2,0,1]=4 473 B12R1.125 C[C@H]1CNCCN1CCC(=O)O Amb27217264 [0,0,0,1,0,0|2,0,0]=3 474 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1O Amb26864539 [0,0,0,1,0,0|3,0,0]=4 475 B12R1.125 NC1CCCCC1CCC(=O)O Amb28872362 [0,0,0,1,0,0|1,0,0]=2 476 B12R1.125 NC1CCCCC1CCC(=O)O Amb6739962 [0,0,0,1,0,0|1,0,0]=2 477 B12R1.125 NC1CCCCC1OCC(=O)O Amb24488516 [0,0,0,1,0,0|2,0,0]=3 478 B12R1.125 O=C(O)CCC1CCCCC1=O Amb2721886 [0,0,0,1,0,0|1,0,1]=3 479 B12R1.125 O=C(O)CCC1CCCCC1F Amb27636457 [0,0,0,1,0,0|1,0,0]=2 480 B12R1.125 O=C(O)CCC1CCCCC1O Amb27426758 [0,0,0,1,0,0|1,0,0]=2 481 B12R1.125 O=C(O)CCC1CCNCC1F Amb27247564 [0,0,0,1,0,0|2,0,0]=3 482 B12R1.125 O=C(O)CCC1CCOCC1=O Amb18198355 [0,0,0,1,0,0|2,0,1]=4 483 B12R1.125 O=C(O)CCC1CCSCC1=O Amb18820771 [0,0,0,1,0,0|2,0,1]=4 484 B12R1.125 O=C(O)CCC1COCCC1=O Amb18198354 [0,0,0,1,0,0|2,0,1]=4 485 B12R1.125 O=C(O)CCC1CSCCC1=O Amb18820772 [0,0,0,1,0,0|2,0,1]=4 486 B12R1.125 O=C(O)CCN1CCCCC1=O Amb6739919 [0,0,0,1,0,0|2,0,1]=4 487 B12R1.125 O=C(O)CCN1CCCCC1=S Amb27392329 [0,0,0,1,0,0|2,0,1]=4 488 B12R1.125 O=C(O)CC[C@@H]1CCCC[C@@H]1O Amb27210572 [0,0,0,1,0,0|1,0,0]=2 489 B12R1.125 O=C(O)CC[C@@H]1CCCSC1=O Amb27252135 [0,0,0,1,0,0|2,0,1]=4 490 B12R1.125 O=C(O)CC[C@H]1CCCC[C@H]1O Amb27444151 [0,0,0,1,0,0|1,0,0]=2 491 B12R1.125 O=C(O)CC[C@H]1NCCC[C@@H]1O Amb28244797 [0,0,0,1,0,0|2,0,0]=3 492 B12R1.125 O=C(O)CSC1CCCCC1O Amb10808762 [0,0,0,1,0,0|2,0,0]=3 493 B12R1.130 CC(=O)CCCC1CCCN1C Amb33320329 [0,0,0,1,0,0|2,0,0]=3 494 B12R1.130 CC(=O)NCCC1CCCN1C Amb35682238 [0,0,0,1,0,0|3,0,0]=4 495 B12R1.130 CC(=O)NCC[C@@H]1CNC[C@H]1C Amb32696178 [0,0,0,1,0,0|3,0,0]=4 496 B12R1.130 CC(O)CCCC1CCCN1C Amb33320729 [0,0,0,1,0,0|2,0,1]=4 497 B12R1.130 CC(O)CCNC1CCCC1C Amb33440572 [0,0,0,1,0,0|2,0,1]=4 498 B12R1.130 CC1CCCC1N\C=C\C(=O)O Amb27172585 [0,0,0,1,0,0|1,0,2]=4 499 B12R1.130 CC1CCC\C1=N/NCC(=O)O Amb27261410 [0,0,0,1,0,0|2,0,1]=4 500 B12R1.130 CC1OCCC1CCCC(=O)O Amb33429902 [0,0,0,1,0,0|1,0,0]=2 501 B12R1.130 CN1CCCC1CCCC(=O)O Amb33322235 [0,0,0,1,0,0|1,0,0]=2 502 B12R1.130 CN1CCCC1CCC[N+](=O)[O-] Amb33320770 [0,0,0,1,0,0|2,0,1]=4 503 B12R1.130 CN1CCCC1CCNC(=O)Cl Amb35625606 [0,0,0,1,0,0|3,0,0]=4 504 B12R1.130 CN1CCCC1CCNC(N)=O Amb35691980 [0,0,0,1,0,0|3,0,0]=4 505 B12R1.130 CN1CCCC1COCC(=O)O Amb21861056 [0,0,0,1,0,0|2,0,0]=3 506 B12R1.130 CN1CCCC1COCC(=O)O Amb32409791 [0,0,0,1,0,0|2,0,0]=3 507 B12R1.130 CN1CCCC1C\C=C\C(=O)O Amb33320769 [0,0,0,1,0,0|1,0,2]=4 508 B12R1.130 CN1CCC[C@H]1COCC(=O)O Amb22224778 [0,0,0,1,0,0|2,0,0]=3 509 B12R1.130 C[C@@H](O)CCCC1CCCN1C Amb33320726 [0,0,0,1,0,0|2,0,1]=4 510 B12R1.130 C[C@H](O)CCCC1CCCN1C Amb33320727 [0,0,0,1,0,0|2,0,1]=4 511 B12R1.130 O=C(O)CCCN1CCCC1=O Amb1130787 [0,0,0,1,0,0|2,0,1]=4 512 B12R1.130 O=C(O)CCSC1CCCC1=O Amb16230793 [0,0,0,1,0,0|2,0,1]=4 513 B12R1.141 C=C1CCCCCCCC(O)C1 Amb28345283 [0,0,0,1,0,0|3,0,0]=4 514 B12R1.141 CC1=CC(=O)CCCCCCC1 Amb28253959 [0,0,0,1,0,0|1,0,1]=3 515 B12R1.141 CC1CCCCCCCC(=O)N1 Amb27616243 [0,0,0,1,0,0|1,0,0]=2 516 B12R1.141 CC1CCCCNCCC(=O)N1 Amb32657052 [0,0,0,1,0,0|2,0,0]=3 517 B12R1.141 O=C1CCCCCCCC(=O)O1 Amb26420851 [0,0,0,1,0,0|1,0,1]=3 518 B12R1.141 O=C1CCCCCCCC(O)C1 Amb27262870 [0,0,0,1,0,0|2,0,0]=3 519 B12R1.141 OC1CCCCCCCC(O)C1 Amb27835984 [0,0,0,1,0,0|2,0,1]=4 520 B12R1.170 C=CCC1CCCCCC(=O)C1 Amb28253648 [0,0,0,1,0,0|1,0,2]=4 521 B12R1.170 CCOC1CCCCCC(=O)C1 Amb27177931 [0,0,0,1,0,0|2,0,0]=3 522 B12R1.210 C=C(C)CC1CCCCCC1O Amb18805991 [0,0,0,1,0,0|3,0,0]=4 523 B12R1.210 C=C(C)C[C@@H]1CCCCC[C@H]1O Amb32950057 [0,0,0,1,0,0|3,0,0]=4 524 B12R1.210 C=C(Cl)CC1CCCCCC1O Amb33213689 [0,0,0,1,0,0|3,0,0]=4 525 B12R1.210 C=C(Cl)C[C@@H]1CCCCC[C@H]1O Amb32945011 [0,0,0,1,0,0|3,0,0]=4 526 B12R1.210 CC(=O)CC1CCCCCC1Cl Amb28047319 [0,0,0,1,0,0|2,0,0]=3 527 B12R1.210 CC(=O)CC1CCCCCN1C Amb27458157 [0,0,0,1,0,0|2,0,0]=3 528 B12R1.210 CC(=O)C[C@H]1CCCC=C[C@H]1C Amb27781987 [0,0,0,1,0,0|1,0,2]=4 529 B12R1.210 CC(=O)C[C@H]1CCCCC[C@@H]1Cl Amb27844358 [0,0,0,1,0,0|2,0,0]=3 530 B12R1.210 CC(=O)NC1CCCCCC1Br Amb28370391 [0,0,0,1,0,0|3,0,0]=4 531 B12R1.210 CC(=O)NC1CCCCCC1C Amb27489458 [0,0,0,1,0,0|2,0,0]=3 532 B12R1.210 CC(=O)NC1CCCCCC1N Amb27266098 [0,0,0,1,0,0|3,0,0]=4 533 B12R1.210 CC(=O)\C=C1/CCCCCC1C Amb35734060 [0,0,0,1,0,0|1,0,2]=4 534 B12R1.210 CC(O)CC1CCCCCN1C Amb27213956 [0,0,0,1,0,0|2,0,1]=4 535 B12R1.210 CC1=C(CC(=O)O)CCCCC1 Amb27614696 [0,0,0,1,0,0|0,0,2]=3 536 B12R1.210 CC1CCCCCC1CC(=O)O Amb29865063 [0,0,0,1,0,0|0,0,0]=1 537 B12R1.210 CC1CCCCCC1NC(=O)Cl Amb35633242 [0,0,0,1,0,0|2,0,0]=3 538 B12R1.210 CC1CCCCCN1CC(N)=S Amb27433559 [0,0,0,1,0,0|2,1,0]=4 539 B12R1.210 CC1CCCCCN1C[C@H](C)O Amb28320579 [0,0,0,1,0,0|2,0,1]=4 540 B12R1.210 CC1CCCCC\C1=C/C(=O)O Amb35721698 [0,0,0,1,0,0|0,0,2]=3 541 B12R1.210 CC1CCOCCN1CC(N)=O Amb27649926 [0,0,0,1,0,0|3,0,0]=4 542 B12R1.210 CC1COCCCN1CC(=O)O Amb27968934 [0,0,0,1,0,0|2,0,0]=3 543 B12R1.210 CC1COCCCN1CC(N)=O Amb28382015 [0,0,0,1,0,0|3,0,0]=4 544 B12R1.210 CC1NCCCCC1CC(=O)O Amb27792876 [0,0,0,1,0,0|1,0,0]=2 545 B12R1.210 CN1CCCCCC1CC(=O)O Amb28250660 [0,0,0,1,0,0|1,0,0]=2 546 B12R1.210 CS(=O)CC1CCCCCC1O Amb27978240 [0,0,0,1,0,0|3,0,0]=4 547 B12R1.210 C[C@@H]1NCCCC[C@H]1CC(=O)O Amb18198536 [0,0,0,1,0,0|1,0,0]=2 548 B12R1.210 C[C@H]1NCCCC[C@@H]1CC(=O)O Amb27420235 [0,0,0,1,0,0|1,0,0]=2 549 B12R1.210 NC(=O)NC1CCCCCC1N Amb27249850 [0,0,0,1,0,0|3,0,0]=4 550 B12R1.210 NC(=O)NC1CCCCCC1O Amb27770817 [0,0,0,1,0,0|3,0,0]=4 551 B12R1.210 NC1CCCCCC1CC(=O)O Amb27178104 [0,0,0,1,0,0|1,0,0]=2 552 B12R1.210 N[C@@H]1CCCCC[C@@H]1CC(=O)O Amb27816143 [0,0,0,1,0,0|1,0,0]=2 553 B12R1.210 O=C(O)CC1CCCCCC1=O Amb18825694 [0,0,0,1,0,0|1,0,1]=3 554 B12R1.210 O=C(O)CC1CCCCCC1O Amb18198284 [0,0,0,1,0,0|1,0,0]=2 555 B12R1.210 O=C(O)CC1CCCCNC1=O Amb27161233 [0,0,0,1,0,0|2,0,1]=4 556 B12R1.210 O=C(O)CC1CCNCCC1=O Amb24667785 [0,0,0,1,0,0|2,0,1]=4 557 B12R1.210 O=C(O)CC1CCOCCC1F Amb27620258 [0,0,0,1,0,0|2,0,0]=3 558 B12R1.210 O=C(O)CC1CCSCCC1F Amb28133029 [0,0,0,1,0,0|2,0,0]=3 559 B12R1.210 O=C(O)CN1CCCCCC1=O Amb415920 [0,0,0,1,0,0|2,0,1]=4 560 B12R1.210 O=C(O)C[C@@H]1CCCCOC1=O Amb27389145 [0,0,0,1,0,0|2,0,1]=4 561 B12R1.212 CC(=O)C1CCCCCCC1N Amb33447098 [0,0,0,1,0,0|2,0,0]=3 562 B12R1.212 NC(=O)C1CCCCCCC1N Amb28292092 [0,0,0,1,0,0|2,0,0]=3 563 B12R1.212 NC(=O)C1CCCCCCC1O Amb27178181 [0,0,0,1,0,0|2,0,0]=3 564 B12R1.212 NC(=O)[C@@H]1CCCCCC[C@@H]1O Amb27974099 [0,0,0,1,0,0|2,0,0]=3 565 B12R1.212 NC(=O)[C@H]1CCCCCC[C@@H]1O Amb28323009 [0,0,0,1,0,0|2,0,0]=3 566 B12R1.212 NC1CCC=CCCC1C(=O)O Amb2694982 [0,0,0,1,0,0|1,0,2]=4 567 B12R1.212 NC1CCCCCCC1C(=O)O Amb20667806 [0,0,0,1,0,0|1,0,0]=2 568 B12R1.212 NC1CCCCCCC1C(=O)O Amb22059713 [0,0,0,1,0,0|1,0,0]=2 569 B12R1.212 NS(=O)C1CCCCCCC1F Amb32720767 [0,0,0,1,0,0|3,0,0]=4 570 B12R1.212 N[C@@H]1C=CCCCC[C@@H]1C(=O)O Amb25947645 [0,0,0,1,0,0|1,0,2]=4 571 B12R1.212 N[C@@H]1C=CCCCC[C@@H]1C(=O)O Amb31307610 [0,0,0,1,0,0|1,0,2]=4 572 B12R1.212 N[C@@H]1CCC=CCC[C@@H]1C(=O)O Amb1993856 [0,0,0,1,0,0|1,0,2]=4 573 B12R1.212 N[C@@H]1CCC=CCC[C@@H]1C(=O)O Amb1994008 [0,0,0,1,0,0|1,0,2]=4 574 B12R1.212 N[C@@H]1CCCCCC[C@@H]1C(=O)O Amb1993853 [0,0,0,1,0,0|1,0,0]=2 575 B12R1.212 N[C@@H]1CCCCCC[C@@H]1C(=O)O Amb1994005 [0,0,0,1,0,0|1,0,0]=2 576 B12R1.212 N[C@H]1CCC=CCC[C@H]1C(=O)O Amb1993855 [0,0,0,1,0,0|1,0,2]=4 577 B12R1.212 N[C@H]1CCCCCC[C@H]1C(=O)O Amb1993854 [0,0,0,1,0,0|1,0,0]=2 578 B12R1.212 O=C(O)C1CCC=CCCC1O Amb27397762 [0,0,0,1,0,0|1,0,2]=4 579 B12R1.212 O=C(O)[C@H]1CCC=CCC[C@@H]1Cl Amb27791800 [0,0,0,1,0,0|1,0,2]=4 580 B12R1.212 O=S(Cl)C1CCCCCCC1F Amb32720766 [0,0,0,1,0,0|3,0,0]=4 581 B12R1.212 O=S([O-])C1CCCCCCC1F Amb32755059 [0,0,0,1,0,0|2,0,1]=4 582 B12R1.215 O=C1CCC#CCCCCCC1 Amb27869824 [0,0,0,1,0,0|1,0,2]=4 583 B12R1.215 O=C1CCCC#CCCCCC1 Amb27234351 [0,0,0,1,0,0|1,0,2]=4 584 B12R1.215 O=C1CCCCCCCCCC1 Amb2778534 [0,0,0,1,0,0|1,0,0]=2 585 B12R1.215 O=C1CCCCCCCCCN1 Amb26068652 [0,0,0,1,0,0|1,0,0]=2 586 B12R1.215 O=C1CCCCCOCCCC1 Amb27177976 [0,0,0,1,0,0|2,0,0]=3 587 B12R1.215 O=C1CCNCCCCCCN1 Amb25704380 [0,0,0,1,0,0|2,0,0]=3 588 B12R1.252 CC(=O)CCC=C1CCCCC1 Amb2610904 [0,0,0,1,0,0|1,0,2]=4 589 B12R1.252 CC(=O)CCCC1CCCCC1 Amb33359306 [0,0,0,1,0,0|1,0,0]=2 590 B12R1.252 CC(=O)CCNC1CCCCC1 Amb18647221 [0,0,0,1,0,0|2,0,0]=3 591 B12R1.252 CC(=O)NCCC1CCCCN1 Amb9725754 [0,0,0,1,0,0|3,0,0]=4 592 B12R1.252 CC(=O)NCCC1CCCNC1 Amb18982294 [0,0,0,1,0,0|3,0,0]=4 593 B12R1.252 CC(=O)NCCC1CCCNC1 Amb21960598 [0,0,0,1,0,0|3,0,0]=4 594 B12R1.252 CC(=O)NCCC1CCNCC1 Amb1080251 [0,0,0,1,0,0|3,0,0]=4 595 B12R1.252 CC(=O)NCNC1CCCCC1 Amb27770101 [0,0,0,1,0,0|3,0,0]=4 596 B12R1.252 CC(=O)\C=C\CC1CCCCC1 Amb32953373 [0,0,0,1,0,0|1,0,2]=4 597 B12R1.252 CC(C)=CCCC1CCCCC1 Amb35582921 [0,0,0,1,0,0|2,0,1]=4 598 B12R1.252 CC(N)CCCC1CCCCC1 Amb33079349 [0,0,0,1,0,0|2,0,1]=4 599 B12R1.252 CC(O)CCCC1CCCCC1 Amb33449617 [0,0,0,1,0,0|1,0,1]=3 600 B12R1.252 CC(O)CCNC1CCCCC1 Amb33455954 [0,0,0,1,0,0|2,0,1]=4 601 B12R1.252 CC(O)CNCC1CCCCC1 Amb9246018 [0,0,0,1,0,0|2,0,1]=4 602 B12R1.252 C[C@@H](N)CCCC1CCCCC1 Amb33422428 [0,0,0,1,0,0|2,0,1]=4 603 B12R1.252 C[C@@H](O)CCCC1CCCCC1 Amb33422430 [0,0,0,1,0,0|1,0,1]=3 604 B12R1.252 C[C@H](N)CCCC1CCCCC1 Amb33422427 [0,0,0,1,0,0|2,0,1]=4 605 B12R1.252 C[C@H](O)CCCC1CCCCC1 Amb33422431 [0,0,0,1,0,0|1,0,1]=3 606 B12R1.252 N=C(N)CCCN1CCCCC1 Amb13951455 [0,0,0,1,0,0|3,0,0]=4 607 B12R1.252 N=C(N)CCOC1CCCCC1 Amb10610331 [0,0,0,1,0,0|3,0,0]=4 608 B12R1.252 NC(=O)CCCN1CCCCC1 Amb17142921 [0,0,0,1,0,0|2,0,0]=3 609 B12R1.252 NC(=O)CCNC1CCCCC1 Amb8437701 [0,0,0,1,0,0|2,0,0]=3 610 B12R1.252 NC(=O)CNCC1CCCCC1 Amb1113547 [0,0,0,1,0,0|2,0,0]=3 611 B12R1.252 NC(=O)COCC1CCNCC1 Amb17083678 [0,0,0,1,0,0|3,0,0]=4 612 B12R1.252 NC(=O)NOCC1CCCCC1 Amb28193569 [0,0,0,1,0,0|3,0,0]=4 613 B12R1.252 NC(=S)CCOC1CCCCC1 Amb6262051 [0,0,0,1,0,0|2,1,0]=4 614 B12R1.252 NC(=S)NCCC1CCCCC1 Amb19058785 [0,0,0,1,0,0|2,1,0]=4 615 B12R1.252 NS(=O)CCCC1CCOCC1 Amb32720878 [0,0,0,1,0,0|3,0,0]=4 616 B12R1.252 O=C(Cl)NCCC1CCCCC1 Amb35625747 [0,0,0,1,0,0|2,0,0]=3 617 B12R1.252 O=C(Cl)NCCC1CCCCO1 Amb35633405 [0,0,0,1,0,0|3,0,0]=4 618 B12R1.252 O=C(Cl)NCCC1CCOCC1 Amb35625737 [0,0,0,1,0,0|3,0,0]=4 619 B12R1.252 O=C(Cl)OCCC1CCCCC1 Amb33297326 [0,0,0,1,0,0|2,0,0]=3 620 B12R1.252 O=C(Cl)OCCC1CCCCO1 Amb33297112 [0,0,0,1,0,0|3,0,0]=4 621 B12R1.252 O=C(O)C#CCC1CCCCC1 Amb27170004 [0,0,0,1,0,0|0,0,2]=3 622 B12R1.252 O=C(O)C#CCN1CCCCC1 Amb27974141 [0,0,0,1,0,0|1,0,2]=4 623 B12R1.252 O=C(O)CC#CC1CCCCC1 Amb26861627 [0,0,0,1,0,0|0,0,2]=3 624 B12R1.252 O=C(O)CCCC1=COCCC1 Amb33424245 [0,0,0,1,0,0|1,0,2]=4 625 B12R1.252 O=C(O)CCCC1CC=CCC1 Amb33358970 [0,0,0,1,0,0|0,0,2]=3 626 B12R1.252 O=C(O)CCCC1CCCCC1 Amb4007236 [0,0,0,1,0,0|0,0,0]=1 627 B12R1.252 O=C(O)CCCC1CCCCN1 Amb1101084 [0,0,0,1,0,0|1,0,0]=2 628 B12R1.252 O=C(O)CCCC1CCCCN1 Amb22284114 [0,0,0,1,0,0|1,0,0]=2 629 B12R1.252 O=C(O)CCCC1CCCCO1 Amb33377395 [0,0,0,1,0,0|1,0,0]=2 630 B12R1.252 O=C(O)CCCC1CCCOC1 Amb33358265 [0,0,0,1,0,0|1,0,0]=2 631 B12R1.252 O=C(O)CCCC1CCCSC1 Amb33079061 [0,0,0,1,0,0|1,0,0]=2 632 B12R1.252 O=C(O)CCCC1CCNCC1 Amb1101085 [0,0,0,1,0,0|1,0,0]=2 633 B12R1.252 O=C(O)CCCC1CCNCC1 Amb2720095 [0,0,0,1,0,0|1,0,0]=2 634 B12R1.252 O=C(O)CCCC1CCOCC1 Amb28555790 [0,0,0,1,0,0|1,0,0]=2 635 B12R1.252 O=C(O)CCCN1CCCCC1 Amb5718374 [0,0,0,1,0,0|1,0,0]=2 636 B12R1.252 O=C(O)CCCN1CCCCC1 Amb5762298 [0,0,0,1,0,0|1,0,0]=2 637 B12R1.252 O=C(O)CCCN1CCNCC1 Amb17479003 [0,0,0,1,0,0|2,0,0]=3 638 B12R1.252 O=C(O)CCCN1CCOCC1 Amb21954071 [0,0,0,1,0,0|2,0,0]=3 639 B12R1.252 O=C(O)CCCN1CCOCC1 Amb5846623 [0,0,0,1,0,0|2,0,0]=3 640 B12R1.252 O=C(O)CCNC1=NCCCC1 Amb10976585 [0,0,0,1,0,0|2,0,1]=4 641 B12R1.252 O=C(O)CCNC1CCCCC1 Amb33484265 [0,0,0,1,0,0|1,0,0]=2 642 B12R1.252 O=C(O)CCNC1CCCCC1 Amb3940614 [0,0,0,1,0,0|1,0,0]=2 643 B12R1.252 O=C(O)CCNC1CCNCC1 Amb19008333 [0,0,0,1,0,0|2,0,0]=3 644 B12R1.252 O=C(O)CCNC1CCNCC1 Amb33552933 [0,0,0,1,0,0|2,0,0]=3 645 B12R1.252 O=C(O)CCOC1CCCCO1 Amb24120644 [0,0,0,1,0,0|2,0,0]=3 646 B12R1.252 O=C(O)CCOC1CCOCC1 Amb18790274 [0,0,0,1,0,0|2,0,0]=3 647 B12R1.252 O=C(O)CCSC1CCCCC1 Amb3318888 [0,0,0,1,0,0|1,0,0]=2 648 B12R1.252 O=C(O)COCC1CC=CCC1 Amb32946018 [0,0,0,1,0,0|1,0,2]=4 649 B12R1.252 O=C(O)COCC1CCCCC1 Amb19032022 [0,0,0,1,0,0|1,0,0]=2 650 B12R1.252 O=C(O)COCC1CCCCO1 Amb9716871 [0,0,0,1,0,0|2,0,0]=3 651 B12R1.252 O=C(O)COCC1CCCNC1 Amb33038178 [0,0,0,1,0,0|2,0,0]=3 652 B12R1.252 O=C(O)COCC1CCCNC1 Amb33329459 [0,0,0,1,0,0|2,0,0]=3 653 B12R1.252 O=C(O)COCC1CCNCC1 Amb35751378 [0,0,0,1,0,0|2,0,0]=3 654 B12R1.252 O=C(O)COCC1CCNCC1 Amb35752582 [0,0,0,1,0,0|2,0,0]=3 655 B12R1.252 O=C(O)COCC1CCOCC1 Amb18312456 [0,0,0,1,0,0|2,0,0]=3 656 B12R1.252 O=C(O)CSCC1CCCCO1 Amb9008344 [0,0,0,1,0,0|2,0,0]=3 657 B12R1.252 O=C(O)C\C=C\C1CCCCC1 Amb26861470 [0,0,0,1,0,0|0,0,2]=3 658 B12R1.252 O=C(O)C\C=C\C1CCOCC1 Amb26883733 [0,0,0,1,0,0|1,0,2]=4 659 B12R1.252 O=C(O)\C=C\CC1CCCCC1 Amb26527903 [0,0,0,1,0,0|0,0,2]=3 660 B12R1.252 O=C(O)\C=C\CN1CCCCC1 Amb18988789 [0,0,0,1,0,0|1,0,2]=4 661 B12R1.252 O=C(O)\C=C\CN1CCCCC1 Amb30634362 [0,0,0,1,0,0|1,0,2]=4 662 B12R1.252 O=C([O-])CCCC1CCCCC1 Amb8516780 [0,0,0,1,0,0|0,0,1]=2 663 B12R1.252 O=S(Cl)CCCC1CCOCC1 Amb32720877 [0,0,0,1,0,0|3,0,0]=4 664 B12R1.252 O=S([O-])CCCC1CCOCC1 Amb32755565 [0,0,0,1,0,0|2,0,1]=4 665 B12R1.252 O=[N+]([O-])CCCC1CCCCC1 Amb33422420 [0,0,0,1,0,0|1,0,1]=3 666 B12R1.255 CC(=O)CCCCC1CCCC1 Amb33448571 [0,0,0,1,0,0|1,0,0]=2 667 B12R1.255 CC(=O)CCCCN1CCCC1 Amb9659031 [0,0,0,1,0,0|2,0,0]=3 668 B12R1.255 CC(=O)\C=C\CCC1CCCC1 Amb33379446 [0,0,0,1,0,0|1,0,2]=4 669 B12R1.255 CC(N)CCCCC1CCCC1 Amb33481739 [0,0,0,1,0,0|2,0,1]=4 670 B12R1.255 CC(O)CCCCC1CCCC1 Amb33359674 [0,0,0,1,0,0|1,0,1]=3 671 B12R1.255 CC(O)CCCCN1CCCC1 Amb18789599 [0,0,0,1,0,0|2,0,1]=4 672 B12R1.255 C[C@@H](N)CCCCC1CCCC1 Amb33375617 [0,0,0,1,0,0|2,0,1]=4 673 B12R1.255 C[C@@H](O)CCCCC1CCCC1 Amb33375589 [0,0,0,1,0,0|1,0,1]=3 674 B12R1.255 C[C@@H](O)CCCCN1CCCC1 Amb33275213 [0,0,0,1,0,0|2,0,1]=4 675 B12R1.255 C[C@H](N)CCCCC1CCCC1 Amb33375616 [0,0,0,1,0,0|2,0,1]=4 676 B12R1.255 C[C@H](O)CCCCC1CCCC1 Amb33375619 [0,0,0,1,0,0|1,0,1]=3 677 B12R1.255 C[C@H](O)CCCCN1CCCC1 Amb33275214 [0,0,0,1,0,0|2,0,1]=4 678 B12R1.255 NC(=O)CCCCC1CCSS1 Amb2747279 [0,0,0,1,0,0|3,0,0]=4 679 B12R1.255 NS(=O)CCOCC1CCCC1 Amb32720585 [0,0,0,1,0,0|3,0,0]=4 680 B12R1.255 O=C(O)C#CCCC1CCCO1 Amb28322969 [0,0,0,1,0,0|1,0,2]=4 681 B12R1.255 O=C(O)C#CCCC1CCOC1 Amb27960018 [0,0,0,1,0,0|1,0,2]=4 682 B12R1.255 O=C(O)CCCCC1CCCC1 Amb33229242 [0,0,0,1,0,0|0,0,0]=1 683 B12R1.255 O=C(O)CCCCC1CCOC1 Amb33229236 [0,0,0,1,0,0|1,0,0]=2 684 B12R1.255 O=C(O)CCCCC1CCSS1 Amb1152511 [0,0,0,1,0,0|2,0,0]=3 685 B12R1.255 O=C(O)CCCCC1CSSC1 Amb33551319 [0,0,0,1,0,0|2,0,0]=3 686 B12R1.255 O=C(O)CCCCC1OCCO1 Amb28079380 [0,0,0,1,0,0|2,0,0]=3 687 B12R1.255 O=C(O)CCCCN1CCCC1 Amb33552798 [0,0,0,1,0,0|1,0,0]=2 688 B12R1.255 O=C(O)CCCCN1CCCC1 Amb7783148 [0,0,0,1,0,0|1,0,0]=2 689 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 Amb553489 [0,0,0,1,0,0|2,0,0]=3 690 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 Amb17616537 [0,0,0,1,0,0|2,0,0]=3 691 B12R1.255 O=C(O)CCCNC1=NCCC1 Amb8559049 [0,0,0,1,0,0|2,0,1]=4 692 B12R1.255 O=C(O)CCNCC1CCCO1 Amb7755703 [0,0,0,1,0,0|2,0,0]=3 693 B12R1.255 O=C(O)CCOCC1CCCO1 Amb6274081 [0,0,0,1,0,0|2,0,0]=3 694 B12R1.255 O=C(O)CCSCC1CCCO1 Amb9723634 [0,0,0,1,0,0|2,0,0]=3 695 B12R1.255 O=C(O)CNCCN1CCCC1 Amb9325920 [0,0,0,1,0,0|2,0,0]=3 696 B12R1.255 O=C(O)COCCC1CCCC1 Amb32954482 [0,0,0,1,0,0|1,0,0]=2 697 B12R1.255 O=C(O)COCCN1CCCC1 Amb33474001 [0,0,0,1,0,0|2,0,0]=3 698 B12R1.255 O=C(O)CSCCN1CCCC1 Amb13949167 [0,0,0,1,0,0|2,0,0]=3 699 B12R1.255 O=C(O)CSCCN1CCCC1 Amb6745649 [0,0,0,1,0,0|2,0,0]=3 700 B12R1.255 O=C(O)\C=C\CCC1CCCC1 Amb33374577 [0,0,0,1,0,0|0,0,2]=3 701 B12R1.255 O=C(O)\C=C\CCN1CCCC1 Amb33275245 [0,0,0,1,0,0|1,0,2]=4 702 B12R1.255 O=C([O-])CCCCC1CCSS1 Amb22168392 [0,0,0,1,0,0|2,0,1]=4 703 B12R1.255 O=S(Cl)CCOCC1CCCC1 Amb32720584 [0,0,0,1,0,0|3,0,0]=4 704 B12R1.255 O=S([O-])CCOCC1CCCC1 Amb32755438 [0,0,0,1,0,0|2,0,1]=4 705 B12R1.255 O=[N+]([O-])CCCCC1CCCC1 Amb33380265 [0,0,0,1,0,0|1,0,1]=3 706 B12R1.255 O=[N+]([O-])CCCCN1CCCC1 Amb33275167 [0,0,0,1,0,0|2,0,1]=4 707 B12R1.257 NC(=O)CCCCOC1CNC1 Amb32941487 [0,0,0,1,0,0|3,0,0]=4 708 B12R1.283 C#CCC1CCCCC1C(C)=O Amb25996388 [0,0,0,1,0,0|1,0,2]=4 709 B12R1.283 C#CCN1CCCCC1C(=O)O Amb2372169 [0,0,0,1,0,0|1,0,2]=4 710 B12R1.283 C#CCN1CCCC[C@@H]1C(=O)O Amb32672115 [0,0,0,1,0,0|1,0,2]=4 711 B12R1.283 C#CCN1CCCC[C@H]1C(=O)O Amb32679669 [0,0,0,1,0,0|1,0,2]=4 712 B12R1.283 C#CC[C@@H]1CCCC[C@H]1C(C)=O Amb25273888 [0,0,0,1,0,0|1,0,2]=4 713 B12R1.283 C#CC[C@H]1CCCC[C@H]1C(C)=O Amb26554032 [0,0,0,1,0,0|1,0,2]=4 714 B12R1.283 C=C=CC1CCCCC1C(=O)O Amb28119826 [0,0,0,1,0,0|0,0,3]=4 715 B12R1.283 C=CCC1CCCCC1C(=O)O Amb18646999 [0,0,0,1,0,0|0,0,2]=3 716 B12R1.283 C=CCN1CCCCC1C(=O)O Amb2382768 [0,0,0,1,0,0|1,0,2]=4 717 B12R1.283 CC(=O)N1CCCCC1CCBr Amb17103917 [0,0,0,1,0,0|3,0,0]=4 718 B12R1.283 CC(=O)N1CCCCC1CCCl Amb17103644 [0,0,0,1,0,0|3,0,0]=4 719 B12R1.283 CC(=O)N1CCCCC1CCN Amb17046292 [0,0,0,1,0,0|3,0,0]=4 720 B12R1.283 CC(=O)N1CCCCC1CCO Amb5797426 [0,0,0,1,0,0|3,0,0]=4 721 B12R1.283 CC(=O)N1CCCC[C@@H]1CCO Amb25295318 [0,0,0,1,0,0|3,0,0]=4 722 B12R1.283 CC(=O)N1CCCC[C@H]1CCO Amb25700843 [0,0,0,1,0,0|3,0,0]=4 723 B12R1.283 CC(=O)[C@@H]1CCCC[C@H]1CC#N Amb26427085 [0,0,0,1,0,0|2,0,1]=4 724 B12R1.283 CC(=O)[C@@H]1CCCC[C@H]1CC=O Amb27195918 [0,0,0,1,0,0|2,0,1]=4 725 B12R1.283 CCCC1=C(C(C)=O)CCCC1 Amb27614636 [0,0,0,1,0,0|1,0,2]=4 726 B12R1.283 CCCC1CCCCC1C(C)=O Amb27762565 [0,0,0,1,0,0|1,0,0]=2 727 B12R1.283 CCCC1CCCNC1C(=O)O Amb27178215 [0,0,0,1,0,0|1,0,0]=2 728 B12R1.283 CCCC1CNCCN1C(C)=O Amb28285684 [0,0,0,1,0,0|3,0,0]=4 729 B12R1.283 CCCC1OCCCC1C(=O)O Amb10609660 [0,0,0,1,0,0|1,0,0]=2 730 B12R1.283 CCCN1CCCCC1C(=N)N Amb35666161 [0,0,0,1,0,0|3,0,0]=4 731 B12R1.283 CCCN1CCCCC1C(=O)O Amb1110568 [0,0,0,1,0,0|1,0,0]=2 732 B12R1.283 CCCN1CCCCC1C(=O)O Amb33552437 [0,0,0,1,0,0|1,0,0]=2 733 B12R1.283 CCCN1CCCCC1C(N)=O Amb26003555 [0,0,0,1,0,0|2,0,0]=3 734 B12R1.283 CCCN1CCCCC1C(N)=S Amb27412417 [0,0,0,1,0,0|2,1,0]=4 735 B12R1.283 CCCN1CCCC[C@H]1C(N)=O Amb28291427 [0,0,0,1,0,0|2,0,0]=3 736 B12R1.283 CCCN1CCNCC1C(=O)O Amb18825347 [0,0,0,1,0,0|2,0,0]=3 737 B12R1.283 CCCN1CCOCC1C(N)=O Amb27178873 [0,0,0,1,0,0|3,0,0]=4 738 B12R1.283 CCNC1CCCCC1S(C)=O Amb28291089 [0,0,0,1,0,0|3,0,0]=4 739 B12R1.283 CCO[C@@H]1CCCC[C@H]1C(C)=O Amb28248007 [0,0,0,1,0,0|2,0,0]=3 740 B12R1.283 COCC1CC=CCC1C(=O)O Amb27408514 [0,0,0,1,0,0|1,0,2]=4 741 B12R1.283 COCC1CCCCN1C(=O)Cl Amb32863950 [0,0,0,1,0,0|3,0,0]=4 742 B12R1.283 COCC1NCCCC1C(N)=O Amb27458399 [0,0,0,1,0,0|3,0,0]=4 743 B12R1.283 COCC1OCCCC1C(=O)O Amb27647224 [0,0,0,1,0,0|2,0,0]=3 744 B12R1.283 C\C=C\C1CCCCC1C(C)=O Amb25282802 [0,0,0,1,0,0|1,0,2]=4 745 B12R1.283 N#CNC1CCCCC1C(=O)O Amb30031688 [0,0,0,1,0,0|2,0,1]=4 746 B12R1.283 NC(=O)C1CCCCN1CCO Amb27207263 [0,0,0,1,0,0|3,0,0]=4 747 B12R1.283 NC(=O)N1CCCCC1CCO Amb28281163 [0,0,0,1,0,0|3,0,0]=4 748 B12R1.283 NCCC1CCCCN1C(N)=O Amb28381340 [0,0,0,1,0,0|3,0,0]=4 749 B12R1.283 O=C(O)C1CCCCC1\C=C\Cl Amb27190721 [0,0,0,1,0,0|1,0,2]=4 750 B12R1.283 O=C(O)C1COCCN1CCF Amb27949845 [0,0,0,1,0,0|3,0,0]=4 751 B12R1.283 O=C(O)C1CSCCN1CCF Amb28063061 [0,0,0,1,0,0|3,0,0]=4 752 B12R1.283 O=C(O)C1CSCCN1CCO Amb27243166 [0,0,0,1,0,0|3,0,0]=4 753 B12R1.283 O=C(O)[C@@H]1CCCCN1CCF Amb27757723 [0,0,0,1,0,0|2,0,0]=3 754 B12R1.283 O=C(O)[C@@H]1CCCC[C@H]1N=C=S Amb27467769 [0,0,0,1,0,0|2,0,1]=4 755 B12R1.289 CC(=O)CC1CCCC1CC#N Amb27164722 [0,0,0,1,0,0|2,0,1]=4 756 B12R1.289 CC(=O)C[C@@H]1CCC[C@H]1CC#N Amb27620440 [0,0,0,1,0,0|2,0,1]=4 757 B12R1.289 CCCC1COCC1NC(=O)Cl Amb35636915 [0,0,0,1,0,0|3,0,0]=4 758 B12R1.289 CCCC1COCC1NC(C)=O Amb35617217 [0,0,0,1,0,0|3,0,0]=4 759 B12R1.289 CCCC1COCC1NC(N)=O Amb35613744 [0,0,0,1,0,0|3,0,0]=4 760 B12R1.289 CCCC1COC\C1=C/C(=O)O Amb35631892 [0,0,0,1,0,0|1,0,2]=4 761 B12R1.289 CCSC1CCCC1NC(=O)Cl Amb35633550 [0,0,0,1,0,0|3,0,0]=4 762 B12R1.289 COCC1CCCN1CC(=O)O Amb21860507 [0,0,0,1,0,0|2,0,0]=3 763 B12R1.289 N#CNC1CCCC1CC(=O)O Amb35593377 [0,0,0,1,0,0|2,0,1]=4 764 B12R1.289 N#CN[C@@H]1CCC[C@H]1CC(=O)O Amb35593379 [0,0,0,1,0,0|2,0,1]=4 765 B12R1.289 O=CNC1CCCC1CC(=O)O Amb29863705 [0,0,0,1,0,0|2,0,1]=4 766 B12R1.289 O=CN[C@@H]1CCC[C@H]1CC(=O)O Amb35603999 [0,0,0,1,0,0|2,0,1]=4 767 B12R1.321 C=CCCC1CCCCC(=O)C1 Amb27951458 [0,0,0,1,0,0|1,0,2]=4 768 B12R1.321 CCCCC1CC(=O)NCCN1 Amb27950409 [0,0,0,1,0,0|3,0,0]=4 769 B12R1.321 CCCCC1CCCCC(=O)N1 Amb4011804 [0,0,0,1,0,0|1,0,0]=2 770 B12R1.321 CCCCC1CCCCC(=O)O1 Amb22230135 [0,0,0,1,0,0|0,0,0]=1 771 B12R1.321 CCCCC1CCCCC(Br)C1 Amb27599861 [0,0,0,1,0,0|2,0,1]=4 772 B12R1.321 CCCCC1CCCCC(Cl)C1 Amb27428526 [0,0,0,1,0,0|2,0,1]=4 773 B12R1.321 CCCCC1CCNCC(C)O1 Amb32679925 [0,0,0,1,0,0|2,0,1]=4 774 B12R1.321 CCCCC1CSCCC(=N)N1 Amb27233027 [0,0,0,1,0,0|3,0,0]=4 775 B12R1.321 CCCCN1CCCNC(=O)C1 Amb25938139 [0,0,0,1,0,0|3,0,0]=4 776 B12R1.321 CCOCC1=CC(=O)CCCC1 Amb27840683 [0,0,0,1,0,0|2,0,1]=4 777 B12R1.321 CC\C=C\C1CCCCC(=O)N1 Amb27248259 [0,0,0,1,0,0|1,0,2]=4 778 B12R1.321 CSCCC1CCCCC(O)C1 Amb27621857 [0,0,0,1,0,0|2,0,1]=4 779 B12R1.321 N#CCCC1CCCCC(=O)C1 Amb28202067 [0,0,0,1,0,0|2,0,1]=4 780 B12R1.321 NCCCC1CCCCC(=O)N1 Amb18825523 [0,0,0,1,0,0|2,0,0]=3 781 B12R1.321 O=C1CCCCC(CCCCl)O1 Amb27974145 [0,0,0,1,0,0|1,0,0]=2 782 B12R1.321 O=C1CCCCC(CCCO)N1 Amb18825414 [0,0,0,1,0,0|2,0,0]=3 783 B12R1.321 O=C1CCCCC(CCCO)O1 Amb27206114 [0,0,0,1,0,0|1,0,0]=2 784 B12R1.384 CC1(O)CCCCC1CCCO Amb28189528 [0,0,0,1,0,0|2,0,1]=4 785 B12R1.384 CCCCC1CCCCC1(C)O Amb32945487 [0,0,0,1,0,0|1,0,1]=3 786 B12R1.384 CCCC[C@@H]1CCCC[C@@]1(C)O Amb33213620 [0,0,0,1,0,0|1,0,1]=3 787 B12R1.384 CCCNC1CCCCC1(C)O Amb35664258 [0,0,0,1,0,0|2,0,1]=4 788 B12R1.384 CCCN[C@@H]1CCCC[C@@]1(C)O Amb35665714 [0,0,0,1,0,0|2,0,1]=4 789 B12R1.384 CCCSC1CCCCC1(C)O Amb35667561 [0,0,0,1,0,0|2,0,1]=4 790 B12R1.384 CCCS[C@@H]1CCCC[C@@]1(C)O Amb35667466 [0,0,0,1,0,0|2,0,1]=4 791 B12R1.384 CCNCC1CCCCS1(=O)=O Amb27985584 [0,0,0,1,0,0|2,0,1]=4 792 B12R1.384 CCOCC1CCCCC1(C)O Amb33213611 [0,0,0,1,0,0|2,0,1]=4 793 B12R1.384 CCOC[C@@H]1CCCC[C@@]1(C)O Amb33213610 [0,0,0,1,0,0|2,0,1]=4 794 B12R1.384 CNCCC1CCCCS1(=O)=O Amb35673546 [0,0,0,1,0,0|2,0,1]=4 795 B12R1.384 C[C@@]1(O)CCCC[C@H]1CCCO Amb27422386 [0,0,0,1,0,0|2,0,1]=4 796 B12R1.384 NCCCC1CCCCS1(=O)=O Amb35723223 [0,0,0,1,0,0|2,0,1]=4 797 B12R1.384 O=S1(=O)CCCCC1CCCBr Amb32690551 [0,0,0,1,0,0|2,0,1]=4 798 B12R1.384 O=S1(=O)CCCCC1CCCCl Amb32690550 [0,0,0,1,0,0|2,0,1]=4 799 B12R1.384 O=S1(=O)CCCCC1CCCO Amb35723304 [0,0,0,1,0,0|2,0,1]=4 800 B12R1.386 CC(=O)N1CCCC1CCCN Amb31161636 [0,0,0,1,0,0|3,0,0]=4 801 B12R1.386 CCNCC1CCCN1C(C)=O Amb21861191 [0,0,0,1,0,0|3,0,0]=4 802 B12R1.386 CC\C=C\N1CCC[C@H]1C(=O)O Amb27616899 [0,0,0,1,0,0|1,0,2]=4 803 B12R1.386 COCCN1CSCC1C(=O)O Amb21965045 [0,0,0,1,0,0|3,0,0]=4 804 B12R1.386 C\C=C\CN1CCC[C@@H]1C(=O)O Amb27391152 [0,0,0,1,0,0|1,0,2]=4 805 B12R1.386 N#CCCN1CCCC1C(=O)O Amb19001546 [0,0,0,1,0,0|2,0,1]=4 806 B12R1.386 N#CCCN1CCC[C@@H]1C(=O)O Amb28127284 [0,0,0,1,0,0|2,0,1]=4 807 B12R1.386 N#CCCN1CCC[C@H]1C(=O)O Amb25774338 [0,0,0,1,0,0|2,0,1]=4 808 B12R1.386 N#CNCC1CCCC1C(=O)O Amb30031676 [0,0,0,1,0,0|2,0,1]=4 809 B12R1.386 N#CNC[C@H]1CCC[C@H]1C(=O)O Amb30031486 [0,0,0,1,0,0|2,0,1]=4 810 B12R1.386 NCCCN1CCCC1C(N)=O Amb6750987 [0,0,0,1,0,0|3,0,0]=4 811 B12R1.386 NCCCN1CCC[C@@H]1C(N)=O Amb34915539 [0,0,0,1,0,0|3,0,0]=4 812 B12R1.386 NCCCN1CCC[C@H]1C(N)=O Amb32668534 [0,0,0,1,0,0|3,0,0]=4 813 B12R1.390 O=C(O)CCCCOCC1CC1 Amb9207802 [0,0,0,1,0,0|1,0,0]=2 814 B12R1.390 O=C(O)CNCCCCC1CC1 Amb32675856 [0,0,0,1,0,0|1,0,0]=2 815 B12R1.405 CC(=O)C1CCCCCC1C#N Amb25918242 [0,0,0,1,0,0|2,0,1]=4 816 B12R1.405 CC(=O)N1CCCCCC1CN Amb24671055 [0,0,0,1,0,0|3,0,0]=4 817 B12R1.405 CCC1CCCCCC1C(C)Br Amb35721290 [0,0,0,1,0,0|2,0,1]=4 818 B12R1.405 CCC1CCCCCC1C(C)Cl Amb35721288 [0,0,0,1,0,0|2,0,1]=4 819 B12R1.405 CCC1CCCCCC1C(C)N Amb35671754 [0,0,0,1,0,0|2,0,1]=4 820 B12R1.405 CCC1CCCCCC1C(C)O Amb35672751 [0,0,0,1,0,0|1,0,1]=3 821 B12R1.405 CC[C@@H]1NCCCC[C@H]1C(=O)O Amb18198539 [0,0,0,1,0,0|1,0,0]=2 822 B12R1.405 CC[C@H]1NCCCC[C@@H]1C(=O)O Amb28247202 [0,0,0,1,0,0|1,0,0]=2 823 B12R1.405 CNC1CCCCCC1C(N)=O Amb27833351 [0,0,0,1,0,0|2,0,0]=3 824 B12R1.405 CO[C@H]1CCCCC[C@H]1C(=O)O Amb27489023 [0,0,0,1,0,0|1,0,0]=2 825 B12R1.405 CS(=O)C1CCCCCC1CN Amb27181216 [0,0,0,1,0,0|3,0,0]=4 826 B12R1.405 CSC1CCCCCC1C(=O)O Amb18967402 [0,0,0,1,0,0|1,0,0]=2 827 B12R1.405 N#CN1CCCCCC1C(=O)O Amb30031677 [0,0,0,1,0,0|2,0,1]=4 828 B12R1.405 O=C(O)C1=C(CO)CCCCC1 Amb27955255 [0,0,0,1,0,0|1,0,2]=4 829 B12R1.407 COC1CCCCCCC(=O)N1 Amb28184682 [0,0,0,1,0,0|2,0,0]=3 830 B12R1.407 C[C@@H]1CCCCCC[C@@H](CO)O1 Amb27472772 [0,0,0,1,0,0|2,0,1]=4 831 B12R1.407 O=C1CCCC=CC[C@@H](CO)O1 Amb27833714 [0,0,0,1,0,0|1,0,2]=4 832 B12R1.522 CCNCCN1CCC1C(N)=O Amb33252130 [0,0,0,1,0,0|3,0,0]=4 833 B12R1.522 CNCCCN1CCC1C(N)=O Amb33252131 [0,0,0,1,0,0|3,0,0]=4 834 B12R1.522 NCCCCN1CCC1C(N)=O Amb33195366 [0,0,0,1,0,0|3,0,0]=4 835 B12R1.906 CC1(N)CCCCCCCCC1 Amb28056747 [0,0,0,1,0,0|2,0,1]=4 836 B12R1.1335 CC(=N)N1CCCCCCCC1 Amb27607308 [0,0,0,1,0,0|3,0,0]=4 837 B12R1.1335 CC(=O)N1CCCCCCCC1 Amb25169087 [0,0,0,1,0,0|2,0,0]=3 838 B12R1.1335 NC(=S)N1CCCCCCCC1 Amb28282880 [0,0,0,1,0,0|2,1,0]=4 839 B12R1.1335 O=C(Cl)N1CCCCCCCC1 Amb27802970 [0,0,0,1,0,0|2,0,0]=3 840 B12R1.1335 O=C(O)C1=CCCCCCCC1 Amb28325718 [0,0,0,1,0,0|0,0,2]=3 841 B12R1.1335 O=C(O)C1CCCCCCCN1 Amb27171757 [0,0,0,1,0,0|1,0,0]=2 842 B12R1.1343 C=C(Br)CNC1CCCCCC1 Amb27478131 [0,0,0,1,0,0|3,0,0]=4 843 B12R1.1343 C=C(Br)COC1CCCCCC1 Amb28206874 [0,0,0,1,0,0|3,0,0]=4 844 B12R1.1343 C=C(C)CCN1CCCCCC1 Amb27955088 [0,0,0,1,0,0|3,0,0]=4 845 B12R1.1343 C=C(Cl)CNC1CCCCCC1 Amb19077092 [0,0,0,1,0,0|3,0,0]=4 846 B12R1.1343 CC(=N)NCC1CCCCCC1 Amb28193193 [0,0,0,1,0,0|3,0,0]=4 847 B12R1.1343 CC(=O)CCC1CCCCCC1 Amb27468725 [0,0,0,1,0,0|1,0,0]=2 848 B12R1.1343 CC(=O)CCN1CCCCCC1 Amb1136685 [0,0,0,1,0,0|2,0,0]=3 849 B12R1.1343 CC(=O)CCN1CCCOCC1 Amb18806959 [0,0,0,1,0,0|3,0,0]=4 850 B12R1.1343 CC(=O)NCC1CCCCCC1 Amb27208386 [0,0,0,1,0,0|2,0,0]=3 851 B12R1.1343 CC(=O)NCC1CCCCCN1 Amb33038736 [0,0,0,1,0,0|3,0,0]=4 852 B12R1.1343 CC(=O)NCC1CCCCNC1 Amb26605896 [0,0,0,1,0,0|3,0,0]=4 853 B12R1.1343 CC(=O)NCC1CCCSCC1 Amb29883281 [0,0,0,1,0,0|3,0,0]=4 854 B12R1.1343 CC(=O)\C=C\C1CCCCCC1 Amb27968526 [0,0,0,1,0,0|1,0,2]=4 855 B12R1.1343 CC(Cl)CCC1CCCCCC1 Amb27436680 [0,0,0,1,0,0|2,0,1]=4 856 B12R1.1343 CC(N)CCC1CCCCCC1 Amb25115183 [0,0,0,1,0,0|2,0,1]=4 857 B12R1.1343 CC(O)CCC1CCCCCC1 Amb26370751 [0,0,0,1,0,0|1,0,1]=3 858 B12R1.1343 CC(O)CCC1CCCCNC1 Amb27654832 [0,0,0,1,0,0|2,0,1]=4 859 B12R1.1343 CC(O)CCC1CCCNCC1 Amb27842230 [0,0,0,1,0,0|2,0,1]=4 860 B12R1.1343 CC(O)CNC1CCCCCC1 Amb9245998 [0,0,0,1,0,0|2,0,1]=4 861 B12R1.1343 C[C@@H](N)CCC1CCCCCC1 Amb33267870 [0,0,0,1,0,0|2,0,1]=4 862 B12R1.1343 C[C@@H](O)CCC1CCCCCC1 Amb33267286 [0,0,0,1,0,0|1,0,1]=3 863 B12R1.1343 C[C@@H](O)COC1CCCCCC1 Amb27451447 [0,0,0,1,0,0|2,0,1]=4 864 B12R1.1343 C[C@H](N)CCC1CCCCCC1 Amb33224813 [0,0,0,1,0,0|2,0,1]=4 865 B12R1.1343 C[C@H](O)CCC1CCCCCC1 Amb33267288 [0,0,0,1,0,0|1,0,1]=3 866 B12R1.1343 C[C@H](O)COC1CCCCCC1 Amb28256210 [0,0,0,1,0,0|2,0,1]=4 867 B12R1.1343 N=C(N)CCN1CCCCCC1 Amb6256920 [0,0,0,1,0,0|3,0,0]=4 868 B12R1.1343 N=C(N)NCC1CCCCCC1 Amb27983875 [0,0,0,1,0,0|3,0,0]=4 869 B12R1.1343 NC(=O)CCN1CCCCCC1 Amb17142920 [0,0,0,1,0,0|2,0,0]=3 870 B12R1.1343 NC(=O)CNC1CCCCCC1 Amb1114001 [0,0,0,1,0,0|2,0,0]=3 871 B12R1.1343 NC(=O)CNC1CCCSCC1 Amb29860743 [0,0,0,1,0,0|3,0,0]=4 872 B12R1.1343 NC(=O)COC1CCCNCC1 Amb35723364 [0,0,0,1,0,0|3,0,0]=4 873 B12R1.1343 NC(=O)CSC1CCCNCC1 Amb35672460 [0,0,0,1,0,0|3,0,0]=4 874 B12R1.1343 NC(=O)NCC1CCCSCC1 Amb30030704 [0,0,0,1,0,0|3,0,0]=4 875 B12R1.1343 NC(=O)OCC1CCCCNC1 Amb35647544 [0,0,0,1,0,0|3,0,0]=4 876 B12R1.1343 NC(=S)CCN1CCCCCC1 Amb6266789 [0,0,0,1,0,0|2,1,0]=4 877 B12R1.1343 NC(=S)COC1CCCCCC1 Amb19059515 [0,0,0,1,0,0|2,1,0]=4 878 B12R1.1343 NC(=S)NCC1CCCCCC1 Amb28193224 [0,0,0,1,0,0|2,1,0]=4 879 B12R1.1343 O=C(Cl)NCC1CCCCCC1 Amb35625593 [0,0,0,1,0,0|2,0,0]=3 880 B12R1.1343 O=C(Cl)NCC1CCCSCC1 Amb35627018 [0,0,0,1,0,0|3,0,0]=4 881 B12R1.1343 O=C(O)C#CC1CCCCCC1 Amb24556561 [0,0,0,1,0,0|0,0,2]=3 882 B12R1.1343 O=C(O)C#CC1CCCCCN1 Amb33168987 [0,0,0,1,0,0|1,0,2]=4 883 B12R1.1343 O=C(O)CCC1CCCCCC1 Amb18825578 [0,0,0,1,0,0|0,0,0]=1 884 B12R1.1343 O=C(O)CCC1CCCCCN1 Amb18198528 [0,0,0,1,0,0|1,0,0]=2 885 B12R1.1343 O=C(O)CCC1CCCNCC1 Amb18198557 [0,0,0,1,0,0|1,0,0]=2 886 B12R1.1343 O=C(O)CCC1CCCOCC1 Amb18825358 [0,0,0,1,0,0|1,0,0]=2 887 B12R1.1343 O=C(O)CCC1CCCSCC1 Amb18820668 [0,0,0,1,0,0|1,0,0]=2 888 B12R1.1343 O=C(O)CCN1CCCCCC1 Amb2721891 [0,0,0,1,0,0|1,0,0]=2 889 B12R1.1343 O=C(O)CCN1CCCCCC1 Amb33552757 [0,0,0,1,0,0|1,0,0]=2 890 B12R1.1343 O=C(O)CCN1CCCNCC1 Amb2699587 [0,0,0,1,0,0|2,0,0]=3 891 B12R1.1343 O=C(O)CCN1CCCSCC1 Amb18977928 [0,0,0,1,0,0|2,0,0]=3 892 B12R1.1343 O=C(O)CCN1CSCCSC1 Amb28904253 [0,0,0,1,0,0|3,0,0]=4 893 B12R1.1343 O=C(O)CNC1=NCCCCC1 Amb1083417 [0,0,0,1,0,0|2,0,1]=4 894 B12R1.1343 O=C(O)CNC1CCCCCC1 Amb8428138 [0,0,0,1,0,0|1,0,0]=2 895 B12R1.1343 O=C(O)CNC1CCCNCC1 Amb27449632 [0,0,0,1,0,0|2,0,0]=3 896 B12R1.1343 O=C(O)CNC1CCCSCC1 Amb35700457 [0,0,0,1,0,0|2,0,0]=3 897 B12R1.1343 O=C(O)COC1CCCCCC1 Amb18972071 [0,0,0,1,0,0|1,0,0]=2 898 B12R1.1343 O=C(O)C\N=C1/CCCCCN1 Amb22081473 [0,0,0,1,0,0|2,0,1]=4 899 B12R1.1343 O=C(O)\C=C\C1CCCCCC1 Amb24715822 [0,0,0,1,0,0|0,0,2]=3 900 B12R1.1343 O=C(O)\C=C\N1CCCCCC1 Amb27272954 [0,0,0,1,0,0|1,0,2]=4 901 B12R1.1343 O=[N+]([O-])CCC1CCCCCC1 Amb33268613 [0,0,0,1,0,0|1,0,1]=3 902 B12R1.1392 CC(=O)C=C1CCCCCCC1 Amb28253982 [0,0,0,1,0,0|1,0,2]=4 903 B12R1.1392 CC(=O)CC1CCCCCCN1 Amb27395289 [0,0,0,1,0,0|2,0,0]=3 904 B12R1.1392 CC(=O)NC1CCCCCCC1 Amb5797421 [0,0,0,1,0,0|2,0,0]=3 905 B12R1.1392 CC(=O)NC1CCCCCNC1 Amb32659965 [0,0,0,1,0,0|3,0,0]=4 906 B12R1.1392 CC(=O)OC1CCCCCCC1 Amb4016350 [0,0,0,1,0,0|2,0,0]=3 907 B12R1.1392 CC(O)CC1CCCCCCN1 Amb28041807 [0,0,0,1,0,0|2,0,1]=4 908 B12R1.1392 CN(C)CC1CCCCCCC1 Amb27973635 [0,0,0,1,0,0|3,0,0]=4 909 B12R1.1392 N=C(N)CN1CCCCCCC1 Amb6750450 [0,0,0,1,0,0|3,0,0]=4 910 B12R1.1392 N=C(N)NC1CCCCCCC1 Amb18801546 [0,0,0,1,0,0|3,0,0]=4 911 B12R1.1392 O=C(Cl)NC1CCCCCCC1 Amb35637075 [0,0,0,1,0,0|2,0,0]=3 912 B12R1.1392 O=C(Cl)OC1CCCCCCC1 Amb27480779 [0,0,0,1,0,0|2,0,0]=3 913 B12R1.1392 O=C(O)C=C1CCCCCCC1 Amb6749166 [0,0,0,1,0,0|0,0,2]=3 914 B12R1.1392 O=C(O)CC1CCCCCCC1 Amb6749259 [0,0,0,1,0,0|0,0,0]=1 915 B12R1.1392 O=C(O)CC1CCCCCCO1 Amb27634953 [0,0,0,1,0,0|1,0,0]=2 916 B12R1.1392 O=C(O)CN1CCCCCCC1 Amb6613276 [0,0,0,1,0,0|1,0,0]=2 917 B12R1.1392 O=C(O)C[C@H]1CCCCCCN1 Amb27985858 [0,0,0,1,0,0|1,0,0]=2 918 B12R1.1755 CCCCCC[C@@H]1C[C@H]1C(=O)O Amb33098453 [0,0,0,1,0,0|0,0,0]=1 919 B12R1.1755 CCCCCC[C@H]1C[C@H]1C(=O)O Amb33098421 [0,0,0,1,0,0|0,0,0]=1 920 B9R0.2 C#CCCCCCC(=O)O Amb22232010 [2,0,0,0,0,0|0,0,2]=4 921 B9R0.2 C=C(C)CCCCCCC Amb6298940 [2,0,0,0,0,0|2,0,0]=4 922 B9R0.2 C=CCCCCCC(=O)O Amb6299579 [2,0,0,0,0,0|0,0,2]=4 923 B9R0.2 CC(=O)CCCCCCN Amb25147578 [2,0,0,0,0,0|2,0,0]=4 924 B9R0.2 CC(=O)CCCCCCN Amb32663700 [2,0,0,0,0,0|2,0,0]=4 925 B9R0.2 CCC#CCCCC(=O)O Amb27628844 [2,0,0,0,0,0|0,0,2]=4 926 B9R0.2 CCCC#CCCC(=O)O Amb27663886 [2,0,0,0,0,0|0,0,2]=4 927 B9R0.2 CCCCC#CCC(=O)O Amb26327934 [2,0,0,0,0,0|0,0,2]=4 928 B9R0.2 CCCCCC#CC(=O)O Amb2778506 [2,0,0,0,0,0|0,0,2]=4 929 B9R0.2 CCCCCCCB(O)O Amb13890611 [2,0,0,0,0,0|1,0,1]=4 930 B9R0.2 CCCCCCCC(=O)Cl Amb3940245 [2,0,0,0,0,0|1,0,0]=3 931 B9R0.2 CCCCCCCC(=O)O Amb3940371 [2,0,0,0,0,0|0,0,0]=2 932 B9R0.2 CCCCCCCC(=O)S Amb10561702 [2,0,0,0,0,0|0,1,0]=3 933 B9R0.2 CCCCCCCC(=O)[O-] Amb33756883 [2,0,0,0,0,0|0,0,1]=3 934 B9R0.2 CCCCCCCC(=O)[O-] Amb8515835 [2,0,0,0,0,0|0,0,1]=3 935 B9R0.2 CCCCCCCC(C)=O Amb6891951 [2,0,0,0,0,0|1,0,0]=3 936 B9R0.2 CCCCCCCC(N)=O Amb8999028 [2,0,0,0,0,0|1,0,0]=3 937 B9R0.2 CCCCCCCP(O)O Amb28042243 [2,0,0,0,0,0|1,0,1]=4 938 B9R0.2 CCCCCCCS(=O)Cl Amb32720351 [2,0,0,0,0,0|2,0,0]=4 939 B9R0.2 CCCCCCCS(=O)[O-] Amb32754186 [2,0,0,0,0,0|1,0,1]=4 940 B9R0.2 CCCCCCCS(N)=O Amb32720352 [2,0,0,0,0,0|2,0,0]=4 941 B9R0.2 CCCCCCC[C@@H](C)O Amb22362646 [2,0,0,0,0,0|1,0,1]=4 942 B9R0.2 CCCCCCC[C@H](C)O Amb22362633 [2,0,0,0,0,0|1,0,1]=4 943 B9R0.2 CCCCCCC[N+](=O)[O-] Amb17672611 [2,0,0,0,0,0|1,0,1]=4 944 B9R0.2 CCCCCCNC(C)=O Amb3368460 [2,0,0,0,0,0|2,0,0]=4 945 B9R0.2 CCCCCCNC(N)=O Amb23569596 [2,0,0,0,0,0|2,0,0]=4 946 B9R0.2 CCCCCCOC(=O)Cl Amb10070637 [2,0,0,0,0,0|2,0,0]=4 947 B9R0.2 CCCCCCOC(C)=O Amb8513414 [2,0,0,0,0,0|2,0,0]=4 948 B9R0.2 CCCCCCOC(N)=O Amb22495526 [2,0,0,0,0,0|2,0,0]=4 949 B9R0.2 CCCCCCSC(=O)Cl Amb28421765 [2,0,0,0,0,0|2,0,0]=4 950 B9R0.2 CCCCCCSC(C)=O Amb27837874 [2,0,0,0,0,0|2,0,0]=4 951 B9R0.2 CCCCCNCC(N)=O Amb6708061 [2,0,0,0,0,0|2,0,0]=4 952 B9R0.2 CCCCCOCC(=O)O Amb8902706 [2,0,0,0,0,0|1,0,0]=3 953 B9R0.2 CCCCCSCC(=O)O Amb6249571 [2,0,0,0,0,0|1,0,0]=3 954 B9R0.2 CCCCNCCC(=O)O Amb7755713 [2,0,0,0,0,0|1,0,0]=3 955 B9R0.2 CCCCNCCC(C)=O Amb26381876 [2,0,0,0,0,0|2,0,0]=4 956 B9R0.2 CCCCNCCC(N)=O Amb8841106 [2,0,0,0,0,0|2,0,0]=4 957 B9R0.2 CCCCOCCC(N)=O Amb27480748 [2,0,0,0,0,0|2,0,0]=4 958 B9R0.2 CCCCSCCC(=O)O Amb1032992 [2,0,0,0,0,0|1,0,0]=3 959 B9R0.2 CCCC\C=C\CC(=O)O Amb6297257 [2,0,0,0,0,0|0,0,2]=4 960 B9R0.2 CCCNCCCC(=O)O Amb1109953 [2,0,0,0,0,0|1,0,0]=3 961 B9R0.2 CCCOCCCC(=O)O Amb8874517 [2,0,0,0,0,0|1,0,0]=3 962 B9R0.2 CCCONCCC(=O)O Amb27233908 [2,0,0,0,0,0|2,0,0]=4 963 B9R0.2 CCCSCCCC(=O)O Amb6680215 [2,0,0,0,0,0|1,0,0]=3 964 B9R0.2 CCCSCCCC(C)=O Amb9660304 [2,0,0,0,0,0|2,0,0]=4 965 B9R0.2 CCC\C=C/CCC(=O)O Amb26566880 [2,0,0,0,0,0|0,0,2]=4 966 B9R0.2 CCC\C=C\CCC(=O)O Amb25378821 [2,0,0,0,0,0|0,0,2]=4 967 B9R0.2 CCNCCCCC(=O)O Amb24385094 [2,0,0,0,0,0|1,0,0]=3 968 B9R0.2 CCNCCCCC(=O)O Amb32686610 [2,0,0,0,0,0|1,0,0]=3 969 B9R0.2 CCNCCCCC(C)=O Amb27951143 [2,0,0,0,0,0|2,0,0]=4 970 B9R0.2 CCNCCCCC(N)=O Amb27964384 [2,0,0,0,0,0|2,0,0]=4 971 B9R0.2 CCOCCCCC(=O)O Amb9207786 [2,0,0,0,0,0|1,0,0]=3 972 B9R0.2 CCOCCCCC(C)=O Amb9659807 [2,0,0,0,0,0|2,0,0]=4 973 B9R0.2 CCOCCOCC(=O)O Amb6258165 [2,0,0,0,0,0|2,0,0]=4 974 B9R0.2 CCOCSCCC(=O)O Amb27447358 [2,0,0,0,0,0|2,0,0]=4 975 B9R0.2 CCONCCCC(=O)O Amb27839067 [2,0,0,0,0,0|2,0,0]=4 976 B9R0.2 CCSCCCCC(=O)O Amb7782874 [2,0,0,0,0,0|1,0,0]=3 977 B9R0.2 CCSCCSCC(=O)O Amb28126747 [2,0,0,0,0,0|2,0,0]=4 978 B9R0.2 CNCCCCCC(C)=O Amb25728176 [2,0,0,0,0,0|2,0,0]=4 979 B9R0.2 CNCCCCCC(N)=O Amb27625362 [2,0,0,0,0,0|2,0,0]=4 980 B9R0.2 CNCCOCCC(=O)O Amb18111840 [2,0,0,0,0,0|2,0,0]=4 981 B9R0.2 CNCCSCCC(=O)O Amb27442544 [2,0,0,0,0,0|2,0,0]=4 982 B9R0.2 COCCCCCC(=O)O Amb10607872 [2,0,0,0,0,0|1,0,0]=3 983 B9R0.2 COCCCCCC(C)=O Amb27227265 [2,0,0,0,0,0|2,0,0]=4 984 B9R0.2 COCCCOCC(=O)O Amb25304314 [2,0,0,0,0,0|2,0,0]=4 985 B9R0.2 COCCNCCC(=O)O Amb33527038 [2,0,0,0,0,0|2,0,0]=4 986 B9R0.2 COCCNCCC(=O)O Amb7755691 [2,0,0,0,0,0|2,0,0]=4 987 B9R0.2 COCCOCCC(=O)O Amb6268336 [2,0,0,0,0,0|2,0,0]=4 988 B9R0.2 CSCCCCCC(=O)O Amb27444761 [2,0,0,0,0,0|1,0,0]=3 989 B9R0.2 CSCCCNCC(=O)O Amb8827601 [2,0,0,0,0,0|2,0,0]=4 990 B9R0.2 CSCCCOCC(=O)O Amb28042679 [2,0,0,0,0,0|2,0,0]=4 991 B9R0.2 CSCCNCCC(=O)O Amb25055507 [2,0,0,0,0,0|2,0,0]=4 992 B9R0.2 C[NH2+]CCCCCC(=O)O Amb9791271 [2,0,0,0,0,0|1,0,0]=3 993 B9R0.2 C\C=C\CCCCC(=O)O Amb18643887 [2,0,0,0,0,0|0,0,2]=4 994 B9R0.2 N#CCCCCCC(=O)O Amb18643705 [2,0,0,0,0,0|1,0,1]=4 995 B9R0.2 NC(=O)CCCCCCBr Amb27654995 [2,0,0,0,0,0|2,0,0]=4 996 B9R0.2 NC(=O)CCCCCCCl Amb27254212 [2,0,0,0,0,0|2,0,0]=4 997 B9R0.2 NCCCCCCC(=O)O Amb1151254 [2,0,0,0,0,0|1,0,0]=3 998 B9R0.2 NCCCCCCC(=O)O Amb16232099 [2,0,0,0,0,0|1,0,0]=3 999 B9R0.2 NCCCCCCC(=O)[O-] Amb32663972 [2,0,0,0,0,0|1,0,1]=4 1000 B9R0.2 NCCCCNCC(=O)O Amb27800960 [2,0,0,0,0,0|2,0,0]=4 1001 B9R0.2 NCCCCSCC(=O)O Amb17500919 [2,0,0,0,0,0|2,0,0]=4 1002 B9R0.2 NCCCNCCC(=O)O Amb27959846 [2,0,0,0,0,0|2,0,0]=4 1003 B9R0.2 NCCCOCCC(=O)O Amb18111494 [2,0,0,0,0,0|2,0,0]=4 1004 B9R0.2 NCCCSCCC(=O)O Amb24496605 [2,0,0,0,0,0|2,0,0]=4 1005 B9R0.2 NCCOCCCC(=O)O Amb18111467 [2,0,0,0,0,0|2,0,0]=4 1006 B9R0.2 NCCSCCCC(=O)O Amb17500468 [2,0,0,0,0,0|2,0,0]=4 1007 B9R0.2 NOCCCCCC(=O)O Amb32708458 [2,0,0,0,0,0|2,0,0]=4 1008 B9R0.2 O=C(O)CCCCCCBr Amb10071514 [2,0,0,0,0,0|1,0,0]=3 1009 B9R0.2 O=C(O)CCCCCCCl Amb17594087 [2,0,0,0,0,0|1,0,0]=3 1010 B9R0.2 O=C(O)CCCCCCF Amb25132501 [2,0,0,0,0,0|1,0,0]=3 1011 B9R0.2 O=C(O)CCCCCCO Amb9787028 [2,0,0,0,0,0|1,0,0]=3 1012 B9R0.2 O=C(O)CCCCCCS Amb24710334 [2,0,0,0,0,0|1,0,0]=3 1013 B9R0.2 O=C(O)CCCCCNBr Amb28054088 [2,0,0,0,0,0|2,0,0]=4 1014 B9R0.2 O=C(O)CCCNCCO Amb9333522 [2,0,0,0,0,0|2,0,0]=4 1015 B9R0.2 O=C(O)CCCOCCO Amb6680919 [2,0,0,0,0,0|2,0,0]=4 1016 B9R0.2 O=C(O)CCCSCCF Amb27614997 [2,0,0,0,0,0|2,0,0]=4 1017 B9R0.2 O=C(O)CCCSCCO Amb9481728 [2,0,0,0,0,0|2,0,0]=4 1018 B9R0.2 O=C(O)CCNCCCF Amb28049536 [2,0,0,0,0,0|2,0,0]=4 1019 B9R0.2 O=C(O)CCNCCCO Amb9239888 [2,0,0,0,0,0|2,0,0]=4 1020 B9R0.2 O=C(O)CCOCCCO Amb24476864 [2,0,0,0,0,0|2,0,0]=4 1021 B9R0.2 O=C(O)CCSCCCCl Amb26421708 [2,0,0,0,0,0|2,0,0]=4 1022 B9R0.2 O=C(O)CCSCCCF Amb27251653 [2,0,0,0,0,0|2,0,0]=4 1023 B9R0.2 O=C(O)CNCCCCO Amb28063278 [2,0,0,0,0,0|2,0,0]=4 1024 B9R0.2 O=C(O)COCCCCF Amb27770553 [2,0,0,0,0,0|2,0,0]=4 1025 B9R0.2 O=C(O)COCCCCO Amb27465121 [2,0,0,0,0,0|2,0,0]=4 1026 B9R0.2 O=C(O)CSCCCCCl Amb27165750 [2,0,0,0,0,0|2,0,0]=4 1027 B9R0.2 O=C(O)CSCCCCF Amb28062594 [2,0,0,0,0,0|2,0,0]=4 1028 B9R0.2 O=CCCCCCC(=O)O Amb26548890 [2,0,0,0,0,0|1,0,1]=4 1029 B9R0.45 BrCCCCCCCCBr Amb2725461 [2,0,0,0,0,0|2,0,0]=4 1030 B9R0.45 C#CCCCCCCCC Amb2721541 [2,0,0,0,0,0|0,0,2]=4 1031 B9R0.45 C#CCCCCCCCO Amb10563785 [2,0,0,0,0,0|0,0,2]=4 1032 B9R0.45 C=CCCCCCCC=O Amb28193259 [2,0,0,0,0,0|0,0,2]=4 1033 B9R0.45 C=CCCCCCCCBr Amb19895211 [2,0,0,0,0,0|1,0,1]=4 1034 B9R0.45 C=CCCCCCCCC Amb3940503 [2,0,0,0,0,0|0,0,1]=3 1035 B9R0.45 C=CCCCCCCCCl Amb6298880 [2,0,0,0,0,0|1,0,1]=4 1036 B9R0.45 C=CCCCCCCCN Amb24763980 [2,0,0,0,0,0|1,0,1]=4 1037 B9R0.45 C=CCCCCCCCN Amb32653343 [2,0,0,0,0,0|1,0,1]=4 1038 B9R0.45 C=CCCCCCCCO Amb22733549 [2,0,0,0,0,0|0,0,2]=4 1039 B9R0.45 C=CCCCCCCNC Amb28120535 [2,0,0,0,0,0|1,0,1]=4 1040 B9R0.45 C=CCCCCCSCC Amb27396740 [2,0,0,0,0,0|1,0,1]=4 1041 B9R0.45 C=CCCCCNCCC Amb26576689 [2,0,0,0,0,0|1,0,1]=4 1042 B9R0.45 C=CCCCNCCCC Amb27799206 [2,0,0,0,0,0|1,0,1]=4 1043 B9R0.45 C=CCCNCCCCC Amb27838999 [2,0,0,0,0,0|1,0,1]=4 1044 B9R0.45 C=CCNCCCCCC Amb7756950 [2,0,0,0,0,0|1,0,1]=4 1045 B9R0.45 C=CCOCCCCCC Amb17933923 [2,0,0,0,0,0|1,0,1]=4 1046 B9R0.45 C=CCSCCCCCC Amb22733767 [2,0,0,0,0,0|1,0,1]=4 1047 B9R0.45 CC#CCCCCCC=O Amb28198592 [2,0,0,0,0,0|0,0,2]=4 1048 B9R0.45 CC#CCCCCCCO Amb27478697 [2,0,0,0,0,0|0,0,2]=4 1049 B9R0.45 CCC#CCCCCCO Amb28050678 [2,0,0,0,0,0|0,0,2]=4 1050 B9R0.45 CCCCC#CCCC=O Amb27790685 [2,0,0,0,0,0|0,0,2]=4 1051 B9R0.45 CCCCCC#CCCO Amb2721746 [2,0,0,0,0,0|0,0,2]=4 1052 B9R0.45 CCCCCCC#CCO Amb2721748 [2,0,0,0,0,0|0,0,2]=4 1053 B9R0.45 CCCCCCCCC#N Amb7764626 [2,0,0,0,0,0|1,0,1]=4 1054 B9R0.45 CCCCCCCCCBr Amb3940224 [2,0,0,0,0,0|1,0,0]=3 1055 B9R0.45 CCCCCCCCCC Amb7757835 [2,0,0,0,0,0|0,0,1]=3 1056 B9R0.45 CCCCCCCCCCl Amb6652537 [2,0,0,0,0,0|1,0,0]=3 1057 B9R0.45 CCCCCCCCCF Amb8515361 [2,0,0,0,0,0|1,0,0]=3 1058 B9R0.45 CCCCCCCCCI Amb3940284 [2,0,0,0,0,0|1,0,0]=3 1059 B9R0.45 CCCCCCCCCN Amb3987584 [2,0,0,0,0,0|1,0,0]=3 1060 B9R0.45 CCCCCCCCCO Amb3940342 [2,0,0,0,0,0|0,0,0]=2 1061 B9R0.45 CCCCCCCCC[Mg+] Amb22351330 [2,0,0,0,0,0|1,0,0]=3 1062 B9R0.45 CCCCCCCCNC Amb7757640 [2,0,0,0,0,0|1,0,1]=4 1063 B9R0.45 CCCCCCCCNN Amb7786451 [2,0,0,0,0,0|2,0,0]=4 1064 B9R0.45 CCCCCCCCNO Amb28069968 [2,0,0,0,0,0|1,0,0]=3 1065 B9R0.45 CCCCCCCCON Amb2818885 [2,0,0,0,0,0|2,0,0]=4 1066 B9R0.45 CCCCCCCCSC Amb10553780 [2,0,0,0,0,0|1,0,1]=4 1067 B9R0.45 CCCCCCCN=C=O Amb3940866 [2,0,0,0,0,0|1,0,1]=4 1068 B9R0.45 CCCCCCCNC=O Amb27170738 [2,0,0,0,0,0|1,0,0]=3 1069 B9R0.45 CCCCCCCOC=O Amb9787223 [2,0,0,0,0,0|1,0,0]=3 1070 B9R0.45 CCCCCCCOCC Amb26332517 [2,0,0,0,0,0|1,0,1]=4 1071 B9R0.45 CCCCCCNCCC Amb6730565 [2,0,0,0,0,0|1,0,1]=4 1072 B9R0.45 CCCCCCNCCCl Amb27175028 [2,0,0,0,0,0|2,0,0]=4 1073 B9R0.45 CCCCCCNCCN Amb33611669 [2,0,0,0,0,0|2,0,0]=4 1074 B9R0.45 CCCCCCNCCN Amb9786764 [2,0,0,0,0,0|2,0,0]=4 1075 B9R0.45 CCCCCCNCCO Amb2720857 [2,0,0,0,0,0|1,0,0]=3 1076 B9R0.45 CCCCCCOCC=O Amb26624223 [2,0,0,0,0,0|1,0,0]=3 1077 B9R0.45 CCCCCCOCCC Amb27838831 [2,0,0,0,0,0|1,0,1]=4 1078 B9R0.45 CCCCCCOCCCl Amb8828502 [2,0,0,0,0,0|2,0,0]=4 1079 B9R0.45 CCCCCCOCCO Amb9787183 [2,0,0,0,0,0|1,0,0]=3 1080 B9R0.45 CCCCCCPCCN Amb28121064 [2,0,0,0,0,0|2,0,0]=4 1081 B9R0.45 CCCCCCSCCCl Amb22228746 [2,0,0,0,0,0|2,0,0]=4 1082 B9R0.45 CCCCCCSCCN Amb7794935 [2,0,0,0,0,0|2,0,0]=4 1083 B9R0.45 CCCCCC\C=C/CO Amb10807383 [2,0,0,0,0,0|0,0,2]=4 1084 B9R0.45 CCCCCC\C=C\C=O Amb24061310 [2,0,0,0,0,0|0,0,2]=4 1085 B9R0.45 CCCCCC\C=C\CO Amb22168300 [2,0,0,0,0,0|0,0,2]=4 1086 B9R0.45 CCCCCNCCCBr Amb27171159 [2,0,0,0,0,0|2,0,0]=4 1087 B9R0.45 CCCCCNCCCC Amb6688183 [2,0,0,0,0,0|1,0,1]=4 1088 B9R0.45 CCCCCNCCCF Amb27757655 [2,0,0,0,0,0|2,0,0]=4 1089 B9R0.45 CCCCCNCCCN Amb17315271 [2,0,0,0,0,0|2,0,0]=4 1090 B9R0.45 CCCCCNCCCO Amb6733807 [2,0,0,0,0,0|1,0,0]=3 1091 B9R0.45 CCCCCOCCC=O Amb27628424 [2,0,0,0,0,0|1,0,0]=3 1092 B9R0.45 CCCCCSCCCF Amb28204722 [2,0,0,0,0,0|2,0,0]=4 1093 B9R0.45 CCCCCSCCCN Amb17500694 [2,0,0,0,0,0|2,0,0]=4 1094 B9R0.45 CCCCCSCCCO Amb17502837 [2,0,0,0,0,0|1,0,0]=3 1095 B9R0.45 CCCCC\C=C/CCO Amb9825885 [2,0,0,0,0,0|0,0,2]=4 1096 B9R0.45 CCCCC\C=C\CCO Amb27953070 [2,0,0,0,0,0|0,0,2]=4 1097 B9R0.45 CCCCNCCCCBr Amb27403712 [2,0,0,0,0,0|2,0,0]=4 1098 B9R0.45 CCCCOCCCCBr Amb8895240 [2,0,0,0,0,0|2,0,0]=4 1099 B9R0.45 CCCCOCCCCCl Amb18798377 [2,0,0,0,0,0|2,0,0]=4 1100 B9R0.45 CCCCOCCCCO Amb19375051 [2,0,0,0,0,0|1,0,0]=3 1101 B9R0.45 CCCCSCCCCN Amb9480126 [2,0,0,0,0,0|2,0,0]=4 1102 B9R0.45 CCCCSCCCCS Amb28206440 [2,0,0,0,0,0|1,1,0]=4 1103 B9R0.45 CCCC\C=C\CCC=O Amb27966384 [2,0,0,0,0,0|0,0,2]=4 1104 B9R0.45 CCCNCCCCCBr Amb27614955 [2,0,0,0,0,0|2,0,0]=4 1105 B9R0.45 CCCNCCCCCO Amb17334254 [2,0,0,0,0,0|1,0,0]=3 1106 B9R0.45 CCCNCCNCCO Amb24644910 [2,0,0,0,0,0|2,0,0]=4 1107 B9R0.45 CCCNCCOCCO Amb6736235 [2,0,0,0,0,0|2,0,0]=4 1108 B9R0.45 CCCOCCCCCBr Amb27494337 [2,0,0,0,0,0|2,0,0]=4 1109 B9R0.45 CCCOCCCCCN Amb27869443 [2,0,0,0,0,0|2,0,0]=4 1110 B9R0.45 CCCOCCCNC=O Amb27453700 [2,0,0,0,0,0|2,0,0]=4 1111 B9R0.45 CCCOCCOCCO Amb22351569 [2,0,0,0,0,0|2,0,0]=4 1112 B9R0.45 CCCSCCCCCBr Amb27603024 [2,0,0,0,0,0|2,0,0]=4 1113 B9R0.45 CCCSCCCCCCl Amb9304986 [2,0,0,0,0,0|2,0,0]=4 1114 B9R0.45 CCCSCCCCCS Amb27431515 [2,0,0,0,0,0|1,1,0]=4 1115 B9R0.45 CCCSCCNCCO Amb27618844 [2,0,0,0,0,0|2,0,0]=4 1116 B9R0.45 CCCSCCSCCO Amb27433297 [2,0,0,0,0,0|2,0,0]=4 1117 B9R0.45 CCC\C=C\CCCC=O Amb33361614 [2,0,0,0,0,0|0,0,2]=4 1118 B9R0.45 CCNCCCCCCN Amb25855319 [2,0,0,0,0,0|2,0,0]=4 1119 B9R0.45 CCNCCCNCCO Amb27770477 [2,0,0,0,0,0|2,0,0]=4 1120 B9R0.45 CCOCCCCCCS Amb27834959 [2,0,0,0,0,0|1,1,0]=4 1121 B9R0.45 CCOCCCCNC=O Amb27634560 [2,0,0,0,0,0|2,0,0]=4 1122 B9R0.45 CCOCCOCCC=O Amb27167183 [2,0,0,0,0,0|2,0,0]=4 1123 B9R0.45 CCOCCSCCCO Amb27830336 [2,0,0,0,0,0|2,0,0]=4 1124 B9R0.45 CCONCCCCCO Amb28245082 [2,0,0,0,0,0|2,0,0]=4 1125 B9R0.45 CCSCCCCCCCl Amb18186755 [2,0,0,0,0,0|2,0,0]=4 1126 B9R0.45 CCSCCNCCCO Amb27797112 [2,0,0,0,0,0|2,0,0]=4 1127 B9R0.45 CCSCCSCCCO Amb27489348 [2,0,0,0,0,0|2,0,0]=4 1128 B9R0.45 CC\N=N\CCCCCO Amb27631929 [2,0,0,0,0,0|2,0,0]=4 1129 B9R0.45 CNCCCCNCCO Amb27630866 [2,0,0,0,0,0|2,0,0]=4 1130 B9R0.45 CNCCSCCCCO Amb28193864 [2,0,0,0,0,0|2,0,0]=4 1131 B9R0.45 COCCCCCCCCl Amb28066514 [2,0,0,0,0,0|2,0,0]=4 1132 B9R0.45 COCCCCNCCO Amb28368980 [2,0,0,0,0,0|2,0,0]=4 1133 B9R0.45 COCCCNCCCO Amb17308606 [2,0,0,0,0,0|2,0,0]=4 1134 B9R0.45 COCCCOCCCO Amb20242414 [2,0,0,0,0,0|2,0,0]=4 1135 B9R0.45 COCOCCCCCO Amb27839456 [2,0,0,0,0,0|2,0,0]=4 1136 B9R0.45 CONCCCCCCO Amb27952629 [2,0,0,0,0,0|2,0,0]=4 1137 B9R0.45 CSCCCCCCCN Amb27860341 [2,0,0,0,0,0|2,0,0]=4 1138 B9R0.45 CSCCCCCNC=O Amb27165514 [2,0,0,0,0,0|2,0,0]=4 1139 B9R0.45 CSCCCSCCCO Amb28132547 [2,0,0,0,0,0|2,0,0]=4 1140 B9R0.45 C\C=C/CCCCCCC Amb26019969 [2,0,0,0,0,0|1,0,1]=4 1141 B9R0.45 C\C=C\CCCCCCO Amb27980554 [2,0,0,0,0,0|0,0,2]=4 1142 B9R0.45 ClCCCCCCCCCl Amb2721447 [2,0,0,0,0,0|2,0,0]=4 1143 B9R0.45 FCCCCCCCCBr Amb27265588 [2,0,0,0,0,0|2,0,0]=4 1144 B9R0.45 FCCCCCCCCCl Amb28067739 [2,0,0,0,0,0|2,0,0]=4 1145 B9R0.45 FCCCCCCCCF Amb22641491 [2,0,0,0,0,0|2,0,0]=4 1146 B9R0.45 N#CCCCCCCC=O Amb26516252 [2,0,0,0,0,0|1,0,1]=4 1147 B9R0.45 NCCCCCCCCN Amb8387247 [2,0,0,0,0,0|2,0,0]=4 1148 B9R0.45 NCCCCCCCCO Amb24116967 [2,0,0,0,0,0|1,0,0]=3 1149 B9R0.45 NCCCCCCNC=O Amb28251393 [2,0,0,0,0,0|2,0,0]=4 1150 B9R0.45 NCCCCCNCCO Amb8394909 [2,0,0,0,0,0|2,0,0]=4 1151 B9R0.45 NCCCCNCCCO Amb27473423 [2,0,0,0,0,0|2,0,0]=4 1152 B9R0.45 NCCCCSCCCO Amb17500966 [2,0,0,0,0,0|2,0,0]=4 1153 B9R0.45 NCCCNCCCC=O Amb27489145 [2,0,0,0,0,0|2,0,0]=4 1154 B9R0.45 NCCCOCCCCO Amb28454517 [2,0,0,0,0,0|2,0,0]=4 1155 B9R0.45 O=CCCCCCCC=O Amb27836602 [2,0,0,0,0,0|1,0,1]=4 1156 B9R0.45 O=CCCCCCCCF Amb25075653 [2,0,0,0,0,0|1,0,0]=3 1157 B9R0.45 O=CCCCCCCCO Amb25765567 [2,0,0,0,0,0|1,0,0]=3 1158 B9R0.45 OCCCCCCCCBr Amb4296902 [2,0,0,0,0,0|1,0,0]=3 1159 B9R0.45 OCCCCCCCCCl Amb6366711 [2,0,0,0,0,0|1,0,0]=3 1160 B9R0.45 OCCCCCCCCF Amb25330666 [2,0,0,0,0,0|1,0,0]=3 1161 B9R0.45 OCCCCCCCCI Amb32411246 [2,0,0,0,0,0|1,0,0]=3 1162 B9R0.45 OCCCCCCCCO Amb8383419 [2,0,0,0,0,0|1,0,0]=3 1163 B9R0.45 OCCCCCCCCS Amb28046913 [2,0,0,0,0,0|1,0,0]=3 1164 B9R0.45 OCCCCCOCCCl Amb28321747 [2,0,0,0,0,0|2,0,0]=4 1165 B9R0.45 OCCCCCOCCO Amb27847385 [2,0,0,0,0,0|2,0,0]=4 1166 B9R0.45 OCCCCCSCCO Amb18800854 [2,0,0,0,0,0|2,0,0]=4 1167 B9R0.45 OCCCCOCCCO Amb27218138 [2,0,0,0,0,0|2,0,0]=4 1168 B9R0.45 OCCCNCCCCF Amb27752581 [2,0,0,0,0,0|2,0,0]=4 1169 B9R0.45 OCCCSCCCCF Amb28204584 [2,0,0,0,0,0|2,0,0]=4 1170 B9R0.45 OCCCSCCCCS Amb27452872 [2,0,0,0,0,0|2,0,0]=4 1171 B9R0.45 OCCNCCCCCF Amb27805496 [2,0,0,0,0,0|2,0,0]=4 1172 B9R0.45 [NH3+]CCCCCCCC[NH3+] Amb16234024 [2,0,0,0,0,0|2,0,0]=4 1173 B11R0.2 CCCCCCC(C)CC(=O)O Amb4001745 [1,1,0,0,0,0|0,0,0]=2 1174 B11R0.2 CCCCCCC(C)OC(=O)Cl Amb24061311 [1,1,0,0,0,0|2,0,0]=4 1175 B11R0.2 CCCCCCC(N)CC(=O)O Amb2229636 [1,1,0,0,0,0|0,0,0]=2 1176 B11R0.2 CCCCCCC(N)CC(=O)O Amb31307615 [1,1,0,0,0,0|0,0,0]=2 1177 B11R0.2 CCCCCCC(N)CC(N)=O Amb32787662 [1,1,0,0,0,0|1,0,0]=3 1178 B11R0.2 CCCCCCC(O)CC(=O)O Amb18803982 [1,1,0,0,0,0|0,0,0]=2 1179 B11R0.2 CCCCCCN(C)CC(=O)O Amb33552686 [1,1,0,0,0,0|1,0,0]=3 1180 B11R0.2 COCCOCC(N)CC(=O)O Amb33255511 [1,1,0,0,0,0|2,0,0]=4 1181 B11R0.30 C=C(Cl)CCCCCCC(=O)O Amb6299583 [1,1,0,0,0,0|0,0,2]=4 1182 B11R0.30 CC(=O)CCCCCCC(=O)O Amb28653044 [1,1,0,0,0,0|0,0,1]=3 1183 B11R0.30 CC(=O)CCCCCCC(C)=O Amb21962685 [1,1,0,0,0,0|1,0,1]=4 1184 B11R0.30 CC(=O)NCCCCCC(=O)O Amb1208026 [1,1,0,0,0,0|1,0,1]=4 1185 B11R0.30 CC(=O)NCCCCCC(=O)O Amb33513104 [1,1,0,0,0,0|1,0,1]=4 1186 B11R0.30 CC(C)CCCCCCC(=O)[O-] Amb33513097 [1,1,0,0,0,0|0,0,1]=3 1187 B11R0.30 CC(C)CCNCCCC(=O)O Amb24271192 [1,1,0,0,0,0|1,0,0]=3 1188 B11R0.30 CC(C)CCNCCCC(=O)O Amb9208916 [1,1,0,0,0,0|1,0,0]=3 1189 B11R0.30 CC(C)COCCCCC(=O)O Amb9207793 [1,1,0,0,0,0|1,0,0]=3 1190 B11R0.30 CC(C)\C=C/CCCCC(=O)O Amb2724658 [1,1,0,0,0,0|0,0,2]=4 1191 B11R0.30 CC(C)\C=C\CCCCC(=O)O Amb4477197 [1,1,0,0,0,0|0,0,2]=4 1192 B11R0.30 O=C(O)CCCCCCC(=O)O Amb533225 [1,1,0,0,0,0|1,0,1]=4 1193 B11R0.40 C=CS(=O)CCCCCCCC Amb1032994 [1,1,0,0,0,0|2,0,0]=4 1194 B11R0.40 CCCCCCC#CC(=O)OC Amb2725482 [1,1,0,0,0,0|0,0,2]=4 1195 B11R0.40 CCCCCCCCC(=O)CC Amb9024774 [1,1,0,0,0,0|1,0,0]=3 1196 B11R0.40 CCCCCCCCC(=O)NN Amb6544507 [1,1,0,0,0,0|1,0,0]=3 1197 B11R0.40 CCCCCCCCC(=O)OC Amb8517582 [1,1,0,0,0,0|0,0,0]=2 1198 B11R0.40 CCCCCCCCC(N)CO Amb22536244 [1,1,0,0,0,0|1,0,1]=4 1199 B11R0.40 CCCCCCCCC(O)CO Amb8517521 [1,1,0,0,0,0|0,0,2]=4 1200 B11R0.40 CCCCCCCNC(=O)CBr Amb17323631 [1,1,0,0,0,0|2,0,0]=4 1201 B11R0.40 CCCCCCCNC(=O)CCl Amb17329833 [1,1,0,0,0,0|2,0,0]=4 1202 B11R0.40 CCCCCCCNC(=O)CN Amb24115161 [1,1,0,0,0,0|2,0,0]=4 1203 B11R0.40 CCCCCCCOC(=O)CC Amb9787227 [1,1,0,0,0,0|2,0,0]=4 1204 B11R0.40 CCCCCCCOC(=O)CCl Amb9787570 [1,1,0,0,0,0|2,0,0]=4 1205 B11R0.40 CCCCCCCOC(=O)CS Amb9786410 [1,1,0,0,0,0|1,1,0]=4 1206 B11R0.40 CCCCCC\C=C\C(=O)OC Amb33513079 [1,1,0,0,0,0|0,0,2]=4 1207 B11R0.40 CCCSSCCCC(=O)OC Amb33040840 [1,1,0,0,0,0|2,0,0]=4 1208 B11R0.40 CNCCOCCCC(=O)OC Amb18624289 [1,1,0,0,0,0|2,0,0]=4 1209 B11R0.40 COC(=O)CCCCCCCBr Amb24063235 [1,1,0,0,0,0|1,0,0]=3 1210 B11R0.40 COC(=O)CCCCCCCN Amb20669115 [1,1,0,0,0,0|1,0,0]=3 1211 B11R0.40 COC(=O)CCCCCCCN Amb24331924 [1,1,0,0,0,0|1,0,0]=3 1212 B11R0.40 COC(=O)CCCOCCCN Amb18111569 [1,1,0,0,0,0|2,0,0]=4 1213 B11R0.40 COC(=O)CCCSCCCN Amb17500720 [1,1,0,0,0,0|2,0,0]=4 1214 B11R0.40 COC(=O)CCCSCCCO Amb17502861 [1,1,0,0,0,0|2,0,0]=4 1215 B11R0.40 COC(=O)NCCCCCCO Amb24095886 [1,1,0,0,0,0|2,0,0]=4 1216 B11R0.42 C#CCCCCCC(N)C(=O)O Amb33065497 [1,1,0,0,0,0|0,0,2]=4 1217 B11R0.42 C#CCCCCC[C@@H](N)C(=O)O Amb33069966 [1,1,0,0,0,0|0,0,2]=4 1218 B11R0.42 C#CCCCCC[C@H](N)C(=O)O Amb33034711 [1,1,0,0,0,0|0,0,2]=4 1219 B11R0.42 C=CCCCCCC(N)C(=O)O Amb21936740 [1,1,0,0,0,0|0,0,2]=4 1220 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O Amb22745701 [1,1,0,0,0,0|0,0,2]=4 1221 B11R0.42 C=CCCCCC[C@H](N)C(=O)O Amb33037010 [1,1,0,0,0,0|0,0,2]=4 1222 B11R0.42 CCCCCCCC(=O)C(=O)O Amb22904309 [1,1,0,0,0,0|0,0,1]=3 1223 B11R0.42 CCCCCCCC(N)C(=O)O Amb2229635 [1,1,0,0,0,0|0,0,0]=2 1224 B11R0.42 CCCCCCCC(N)C(N)=O Amb18794469 [1,1,0,0,0,0|1,0,0]=3 1225 B11R0.42 CCCCCCC[C@@H](N)C(=O)O Amb22747720 [1,1,0,0,0,0|0,0,0]=2 1226 B11R0.42 CCCCCCC[C@H](N)C(=O)O Amb33308889 [1,1,0,0,0,0|0,0,0]=2 1227 B11R0.42 CCCCCCOC(C)C(=O)O Amb7790036 [1,1,0,0,0,0|1,0,0]=3 1228 B11R0.42 CCCCOCCC(N)C(=O)O Amb18795636 [1,1,0,0,0,0|1,0,0]=3 1229 B11R0.42 CCCCOCCC(N)C(N)=O Amb18178142 [1,1,0,0,0,0|2,0,0]=4 1230 B11R0.42 CCCCOCC[C@@H](N)C(=O)O Amb33065700 [1,1,0,0,0,0|1,0,0]=3 1231 B11R0.42 CCCCOCC[C@H](N)C(=O)O Amb32789517 [1,1,0,0,0,0|1,0,0]=3 1232 B11R0.42 CCC\C=C\CCC(C)C(=O)O Amb33373744 [1,1,0,0,0,0|0,0,2]=4 1233 B11R0.42 CCOCCNCC(C)C(=O)O Amb13952381 [1,1,0,0,0,0|2,0,0]=4 1234 B11R0.42 CCOCCNCC(C)C(=O)O Amb9454345 [1,1,0,0,0,0|2,0,0]=4 1235 B11R0.42 COCCOCCC(N)C(=O)O Amb18790828 [1,1,0,0,0,0|2,0,0]=4 1236 B11R0.42 COCCOCC[C@@H](N)C(=O)O Amb33065896 [1,1,0,0,0,0|2,0,0]=4 1237 B11R0.42 COCCOCC[C@H](N)C(=O)O Amb32864933 [1,1,0,0,0,0|2,0,0]=4 1238 B11R0.42 N#CCCCCCC(N)C(=O)O Amb33309071 [1,1,0,0,0,0|1,0,1]=4 1239 B11R0.42 N#CCCCCC[C@@H](N)C(=O)O Amb33308705 [1,1,0,0,0,0|1,0,1]=4 1240 B11R0.42 N#CCCCCC[C@H](N)C(=O)O Amb32789469 [1,1,0,0,0,0|1,0,1]=4 1241 B11R0.42 NC(=O)C(N)CCCCCCO Amb33036551 [1,1,0,0,0,0|2,0,0]=4 1242 B11R0.42 NC(CCCCCCO)C(=O)O Amb32937041 [1,1,0,0,0,0|1,0,0]=3 1243 B11R0.42 N[C@@H](CCCCCCO)C(=O)O Amb33033601 [1,1,0,0,0,0|1,0,0]=3 1244 B11R0.42 N[C@H](CCCCCCO)C(=O)O Amb33069952 [1,1,0,0,0,0|1,0,0]=3 1245 B11R0.46 CCCCCC(=O)CCC(=O)O Amb4330519 [1,1,0,0,0,0|0,0,1]=3 1246 B11R0.46 CCCCCC(=O)NCC(=O)O Amb4306505 [1,1,0,0,0,0|1,0,1]=4 1247 B11R0.46 CCCCCC(C)CCC(=O)O Amb10807482 [1,1,0,0,0,0|0,0,0]=2 1248 B11R0.46 CCCCCC(C)CCC(=O)[O-] Amb33513096 [1,1,0,0,0,0|0,0,1]=3 1249 B11R0.46 CCCCCN(C)CCC(=O)O Amb8392952 [1,1,0,0,0,0|1,0,0]=3 1250 B11R0.46 CCCCCN(C)CCC(=O)O Amb8925855 [1,1,0,0,0,0|1,0,0]=3 1251 B11R0.46 CCCCNC(=O)CCC(=O)O Amb1785994 [1,1,0,0,0,0|1,0,1]=4 1252 B11R0.46 CCCCOC(=O)CCC(=O)O Amb19888684 [1,1,0,0,0,0|1,0,1]=4 1253 B11R0.46 CCC\C=C\C(N)CCC(=O)O Amb33327182 [1,1,0,0,0,0|0,0,2]=4 1254 B11R0.111 CCC(=O)CCCCCC(=O)O Amb6305228 [1,1,0,0,0,0|0,0,1]=3 1255 B11R0.111 COC(=O)CCCCCC(=O)O Amb13887311 [1,1,0,0,0,0|1,0,1]=4 1256 B11R0.111 O=C(O)CCCCCC(F)CBr Amb22547633 [1,1,0,0,0,0|1,0,0]=3 1257 B11R0.147 CCCCC(=O)CCCC(=O)O Amb6305231 [1,1,0,0,0,0|0,0,1]=3 1258 B11R0.147 CCCCC(=O)NCCC(=O)O Amb5741939 [1,1,0,0,0,0|1,0,1]=4 1259 B11R0.147 CCCCN(C)CCCC(=O)Cl Amb17143107 [1,1,0,0,0,0|2,0,0]=4 1260 B11R0.147 CCCNC(=O)CCCC(=O)O Amb1841483 [1,1,0,0,0,0|1,0,1]=4 1261 B11R0.159 CCCCCCCCC(C)(C)O Amb33330811 [1,1,0,0,0,0|1,0,1]=4 1262 B11R0.159 CCCCCCCCP(=O)(O)O Amb19515959 [1,1,0,0,0,0|1,0,0]=3 1263 B11R0.159 CCCCCCCCS(=O)(=O)Cl Amb8516201 [1,1,0,0,0,0|1,0,1]=4 1264 B11R0.159 CCCCCCCCS(=O)(=O)F Amb33352751 [1,1,0,0,0,0|1,0,1]=4 1265 B11R0.159 CCCCCCCCS(=O)(=O)O Amb22228001 [1,1,0,0,0,0|1,0,0]=3 1266 B11R0.159 CCCCCCCCS(=O)(=O)[O-] Amb2689968 [1,1,0,0,0,0|1,0,1]=4 1267 B11R0.159 CCCCCCCCS(=O)(=O)[O-] Amb6366784 [1,1,0,0,0,0|1,0,1]=4 1268 B11R0.159 CCCCCCCCS(=O)(=O)[O-] Amb9871421 [1,1,0,0,0,0|1,0,1]=4 1269 B11R0.159 CCCCCCCCS(N)(=O)=O Amb16191923 [1,1,0,0,0,0|1,0,1]=4 1270 B11R0.176 CCCC(=O)CCCCC(=O)O Amb6305241 [1,1,0,0,0,0|0,0,1]=3 1271 B11R0.176 CCCC(=O)NCCCC(=O)O Amb5741969 [1,1,0,0,0,0|1,0,1]=4 1272 B11R0.176 CCOC(=O)CCCCC(=O)O Amb3939942 [1,1,0,0,0,0|1,0,1]=4 1273 B11R0.176 O=C(O)CCCC[C@@H](S)CCS Amb24099064 [1,1,0,0,0,0|1,0,0]=3 1274 B11R0.3 BrCCCCCCCCCCBr Amb2721556 [1,1,0,0,0,0|1,0,1]=4 1275 B11R0.3 C#CCCCCCCCCCC Amb2721432 [1,1,0,0,0,0|1,0,1]=4 1276 B11R0.3 C=CCCCCCCCCC=O Amb8513533 [1,1,0,0,0,0|0,0,1]=3 1277 B11R0.3 C=CCCCCCCCCCBr Amb2691196 [1,1,0,0,0,0|1,0,0]=3 1278 B11R0.3 C=CCCCCCCCCCC Amb3940486 [1,1,0,0,0,0|1,0,0]=3 1279 B11R0.3 C=CCCCCCCCCCCl Amb2721562 [1,1,0,0,0,0|1,0,0]=3 1280 B11R0.3 C=CCCCCCCCCCN Amb2721533 [1,1,0,0,0,0|1,0,0]=3 1281 B11R0.3 C=CCCCCCCCCCO Amb2721673 [1,1,0,0,0,0|1,0,0]=3 1282 B11R0.3 CCCCCCCCCCCBr Amb8514664 [1,1,0,0,0,0|1,0,1]=4 1283 B11R0.3 CCCCCCCCCCCC Amb8513157 [1,1,0,0,0,0|1,0,1]=4 1284 B11R0.3 CCCCCCCCCCCCl Amb9787117 [1,1,0,0,0,0|1,0,1]=4 1285 B11R0.3 CCCCCCCCCCCN Amb3941511 [1,1,0,0,0,0|1,0,1]=4 1286 B11R0.3 CCCCCCCCCCCO Amb6646062 [1,1,0,0,0,0|0,0,1]=3 1287 B11R0.3 CCCCCCCCCCNC Amb33934687 [1,1,0,0,0,0|1,0,1]=4 1288 B11R0.3 CCCCCCCCCCNC Amb9787067 [1,1,0,0,0,0|1,0,1]=4 1289 B11R0.3 CCCCCCCCCN=C=S Amb2689944 [1,1,0,0,0,0|0,1,1]=4 1290 B11R0.3 CCCCCCCCCN=[N+]=[N-] Amb18633019 [1,1,0,0,0,0|2,0,0]=4 1291 B11R0.3 CCCCCCCCCNCC Amb7761767 [1,1,0,0,0,0|1,0,1]=4 1292 B11R0.3 CCCCCCCCNCCN Amb18794624 [1,1,0,0,0,0|1,0,1]=4 1293 B11R0.3 CCCCCCCCNCCN Amb22358941 [1,1,0,0,0,0|1,0,1]=4 1294 B11R0.3 CCCCCCCCNCCO Amb7757629 [1,1,0,0,0,0|0,0,1]=3 1295 B11R0.3 CCCCCCCCOCCN Amb7790956 [1,1,0,0,0,0|1,0,1]=4 1296 B11R0.3 CCCCCCCCOCCO Amb9787110 [1,1,0,0,0,0|0,0,1]=3 1297 B11R0.3 CCCCCCCCSCCN Amb7794933 [1,1,0,0,0,0|1,0,1]=4 1298 B11R0.3 CCCCCCCCSCCO Amb33531593 [1,1,0,0,0,0|0,0,1]=3 1299 B11R0.3 CCCCCCCCSCCS Amb9787630 [1,1,0,0,0,0|0,1,1]=4 1300 B11R0.3 CCCCCCCC\C=C\C=O Amb22045177 [1,1,0,0,0,0|0,0,1]=3 1301 B11R0.3 CCCCCCCC\C=C\CO Amb22052644 [1,1,0,0,0,0|0,0,1]=3 1302 B11R0.3 CCCCCCCNCCCC Amb4313708 [1,1,0,0,0,0|1,0,1]=4 1303 B11R0.3 CCCCCCCNCCCN Amb18794637 [1,1,0,0,0,0|1,0,1]=4 1304 B11R0.3 CCCCCCCNCCCO Amb4304117 [1,1,0,0,0,0|0,0,1]=3 1305 B11R0.3 CCCCCCNCCCCC Amb6656070 [1,1,0,0,0,0|1,0,1]=4 1306 B11R0.3 CCCCCCNCCCOC Amb7760836 [1,1,0,0,0,0|1,0,1]=4 1307 B11R0.3 CCCCNCCCCCOC Amb33133268 [1,1,0,0,0,0|1,0,1]=4 1308 B11R0.3 CCOCCOCCOCC=O Amb32669837 [1,1,0,0,0,0|2,0,0]=4 1309 B11R0.3 C\C=C\CCCCCCCCO Amb22641580 [1,1,0,0,0,0|0,0,2]=4 1310 B11R0.3 ClCCCCCCCCCCCl Amb8514864 [1,1,0,0,0,0|1,0,1]=4 1311 B11R0.3 FCCCCCCCCCCF Amb33756851 [1,1,0,0,0,0|1,0,1]=4 1312 B11R0.3 ICCCCCCCCCCI Amb10071532 [1,1,0,0,0,0|1,0,1]=4 1313 B11R0.3 NCCCCCCCCCCN Amb33446968 [1,1,0,0,0,0|1,0,1]=4 1314 B11R0.3 NCCCCCCCCCCN Amb798005 [1,1,0,0,0,0|1,0,1]=4 1315 B11R0.3 NCCCCCCCCCCO Amb17607975 [1,1,0,0,0,0|0,0,1]=3 1316 B11R0.3 O=CCCCCCCCCCBr Amb21963218 [1,1,0,0,0,0|0,0,0]=2 1317 B11R0.3 OCCCCCCCCCCBr Amb2694963 [1,1,0,0,0,0|0,0,1]=3 1318 B11R0.3 OCCCCCCCCCCCl Amb10844747 [1,1,0,0,0,0|0,0,1]=3 1319 B11R0.3 OCCCCCCCCCCO Amb2721538 [1,1,0,0,0,0|0,0,1]=3 1320 B11R0.4 CCCCCCCC(O)CCC Amb18803156 [1,1,0,0,0,0|1,0,1]=4 1321 B11R0.4 CCCCCCCC(O)CCN Amb32693374 [1,1,0,0,0,0|1,0,1]=4 1322 B11R0.4 CCOC(=O)CCCCCC=O Amb8471024 [1,1,0,0,0,0|1,0,1]=4 1323 B11R0.140 CCCCCC(N)CCCCC Amb9620841 [1,1,0,0,0,0|1,0,1]=4 1324 B11R0.140 CCCCCC(S)CCCCC Amb32788302 [1,1,0,0,0,0|1,0,1]=4 1325 B13R0.62 CCCCCCCC(CC)CC(=O)O Amb32412880 [0,2,0,0,0,0|0,0,0]=2 1326 B13R0.274 CCCCCCCC(=O)CC(=O)OC Amb17617713 [0,2,0,0,0,0|0,0,1]=3 1327 B13R0.274 CCCCCCC[C@@H](O)CC(=O)OC Amb17615271 [0,2,0,0,0,0|0,0,0]=2 1328 B13R0.274 CCCCCCC\C(C)=C\C(=O)OC Amb33472149 [0,2,0,0,0,0|0,0,2]=4 1329 B13R0.274 CCCCCCNC(C)CC(=O)OC Amb20673380 [0,2,0,0,0,0|1,0,0]=3 1330 B13R0.274 CCOCCCNC(C)CC(=O)OC Amb9398643 [0,2,0,0,0,0|2,0,0]=4 1331 B13R0.335 CCCCCCCCC(C)CC(=O)O Amb28653289 [0,2,0,0,0,0|0,0,0]=2 1332 B13R0.335 CCCCCCCOC(=O)CC(C)=O Amb9787148 [0,2,0,0,0,0|1,0,1]=4 1333 B13R0.712 COCCCNCC(F)(F)CC(=O)O Amb33347089 [0,2,0,0,0,0|2,0,0]=4 1334 B13R0.188 CCCCCC(=O)CCCCC(=O)O Amb6305236 [0,2,0,0,0,0|0,0,0]=2 1335 B13R0.456 CCCCS(=O)(=O)NCCCC(=O)O Amb1109633 [0,2,0,0,0,0|2,0,0]=4 1336 B13R0.280 CCCCCCCCCCC(C)(C)O Amb33330860 [0,2,0,0,0,0|1,0,1]=4 1337 B13R0.280 CCCCCCCCCCP(=O)(O)O Amb9786421 [0,2,0,0,0,0|1,0,0]=3 1338 B13R0.280 CCCCCCCCCCP(C)(C)=O Amb1239581 [0,2,0,0,0,0|2,0,0]=4 1339 B13R0.280 CCCCCCCCCCS(=O)(=O)Cl Amb8517441 [0,2,0,0,0,0|1,0,1]=4 1340 B13R0.280 CCCCCCCCCCS(=O)(=O)F Amb33352607 [0,2,0,0,0,0|1,0,1]=4 1341 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] Amb2686676 [0,2,0,0,0,0|1,0,1]=4 1342 B13R0.280 CCCCCCCCCCS(N)(=O)=O Amb9789393 [0,2,0,0,0,0|1,0,1]=4 1343 B13R0.280 CCCCCCCOCCS(=O)(=O)Cl Amb32940028 [0,2,0,0,0,0|1,0,1]=4 1344 B13R0.280 CCCCCCOCCCS(=O)(=O)Cl Amb32939915 [0,2,0,0,0,0|1,0,1]=4 1345 B13R0.280 CCCCCOCCCCS(=O)(=O)Cl Amb32940399 [0,2,0,0,0,0|1,0,1]=4 1346 B13R0.280 CCCCOCCCCCS(=O)(=O)Cl Amb32939832 [0,2,0,0,0,0|1,0,1]=4 1347 B13R0.280 CCCOCCCCCCS(=O)(=O)Cl Amb32939865 [0,2,0,0,0,0|1,0,1]=4 1348 B13R0.442 O=C(O)CCCCCNCC(F)(F)F Amb33725437 [0,2,0,0,0,0|2,0,0]=4 1349 B13R0.442 O=C(O)CCNCCCCC(F)(F)F Amb33483428 [0,2,0,0,0,0|2,0,0]=4 1350 B13R0.442 O=C(O)CCNCCCCC(F)(F)F Amb33483429 [0,2,0,0,0,0|2,0,0]=4 1351 B13R0.1215 CCCCCCCCOS(=O)(=O)O[Na] Amb22352581 [0,2,0,0,0,0|2,0,0]=4 1352 B13R0.88 CCCC(=O)NCCCCCC(=O)O Amb6251697 [0,2,0,0,0,0|0,0,1]=3 1353 B13R0.88 CCOC(=O)CCCCCCC(=O)O Amb8471020 [0,2,0,0,0,0|0,0,1]=3 1354 B13R0.180 CC(C)C(=O)NCCCCCC(=O)O Amb1127947 [0,2,0,0,0,0|1,0,1]=4 1355 B13R0.201 COC(=O)CCCCCCC(=O)OC Amb2695243 [0,2,0,0,0,0|1,0,1]=4 1356 B13R0.204 CCC(=O)NCCCC[C@H](N)C(=O)O Amb33841783 [0,2,0,0,0,0|1,0,1]=4 1357 B13R0.291 CCS(=O)(=O)NCCCCCC(=O)O Amb1124665 [0,2,0,0,0,0|2,0,0]=4 1358 B13R0.1 CCCCCCC(C)NCCC(C)O Amb33455973 [0,2,0,0,0,0|1,0,1]=4 1359 B13R0.1259 NCCCCS(=O)(=O)CCCC(=O)O Amb17501090 [0,2,0,0,0,0|2,0,0]=4 1360 B13R0.1398 NC(CCCC(=O)O)CCCC(=O)O Amb33465463 [0,2,0,0,0,0|1,0,1]=4 1361 B13R0.1398 NC(CCCC(=O)O)CCCC(=O)O Amb33465464 [0,2,0,0,0,0|1,0,1]=4 1362 B13R0.54 C=CCCCCCCCCCC(=O)O Amb6296074 [0,2,0,0,0,0|0,0,0]=2 1363 B13R0.54 C=CCCCCCCCCOC(C)=O Amb10563791 [0,2,0,0,0,0|1,0,1]=4 1364 B13R0.54 CCCCCC#CC#CCCC(=O)O Amb2721435 [0,2,0,0,0,0|0,0,2]=4 1365 B13R0.54 CCCCCCCCCCCC(=O)Cl Amb3940238 [0,2,0,0,0,0|1,0,0]=3 1366 B13R0.54 CCCCCCCCCCCC(=O)O Amb2708779 [0,2,0,0,0,0|0,0,0]=2 1367 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb22729066 [0,2,0,0,0,0|0,0,1]=3 1368 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb8516675 [0,2,0,0,0,0|0,0,1]=3 1369 B13R0.54 CCCCCCCCCCCC(N)=O Amb4008368 [0,2,0,0,0,0|1,0,0]=3 1370 B13R0.54 CCCCCCCCCCCC(N)=S Amb13953232 [0,2,0,0,0,0|1,1,0]=4 1371 B13R0.54 CCCCCCCCCCOC(=O)Cl Amb22337976 [0,2,0,0,0,0|1,0,0]=3 1372 B13R0.54 CCCCCCCCC\C=C/C(=O)O Amb30666645 [0,2,0,0,0,0|0,0,0]=2 1373 B13R0.54 CCCCCCCCC\C=C\C(=O)O Amb13952752 [0,2,0,0,0,0|0,0,0]=2 1374 B13R0.54 CCCCCCCCSCCC(=O)O Amb1038994 [0,2,0,0,0,0|0,0,0]=2 1375 B13R0.54 CCCCCNCCCCCC(=O)O Amb32410634 [0,2,0,0,0,0|0,0,0]=2 1376 B13R0.54 CCCCOCCOCCCC(=O)O Amb9208474 [0,2,0,0,0,0|0,0,0]=2 1377 B13R0.54 CCCCOCCOCCOC(C)=O Amb8516522 [0,2,0,0,0,0|2,0,0]=4 1378 B13R0.54 CCCCSCCCCCCC(=O)O Amb1036584 [0,2,0,0,0,0|0,0,0]=2 1379 B13R0.54 CCCC\C=C/CCCCOC(C)=O Amb4025835 [0,2,0,0,0,0|1,0,1]=4 1380 B13R0.54 COCCOCCOCCCC(=O)O Amb32667431 [0,2,0,0,0,0|1,0,0]=3 1381 B13R0.54 N#CCCCCCCCCCC(=O)O Amb22547629 [0,2,0,0,0,0|0,0,0]=2 1382 B13R0.54 NCCCCCCCCCCC(=O)Cl Amb17143769 [0,2,0,0,0,0|1,0,0]=3 1383 B13R0.54 NCCCCCCCCCCC(=O)O Amb3940461 [0,2,0,0,0,0|0,0,0]=2 1384 B13R0.54 NCCOCCOCCOCC(=O)O Amb34193405 [0,2,0,0,0,0|2,0,0]=4 1385 B13R0.54 O=C(O)CCCCCCCCCCBr Amb639361 [0,2,0,0,0,0|0,0,0]=2 1386 B13R0.54 O=C(O)CCCCCCCCCCCl Amb534918 [0,2,0,0,0,0|0,0,0]=2 1387 B13R0.54 O=C(O)CCCCCCCCCCO Amb1814707 [0,2,0,0,0,0|0,0,0]=2 1388 B13R0.54 O=C(O)CCCCCCCCCCS Amb584507 [0,2,0,0,0,0|0,0,0]=2 1389 B13R0.54 O=C(O)COCCOCCOCCO Amb34912913 [0,2,0,0,0,0|2,0,0]=4 1390 B13R0.54 [N-]=[N+]=NCCCCCCCCC(=O)O Amb34913620 [0,2,0,0,0,0|1,0,0]=3 1391 B13R0.119 CCCCC(=O)CCCCCC(=O)O Amb6305233 [0,2,0,0,0,0|0,0,0]=2 1392 B13R0.147 C=CC(=O)OCCCCCCCCC Amb20670989 [0,2,0,0,0,0|1,0,0]=3 1393 B13R0.147 C=CCCCCCCCCC(=O)NN Amb6393023 [0,2,0,0,0,0|1,0,1]=4 1394 B13R0.147 C=CCCCCCCCCC(=O)OC Amb612439 [0,2,0,0,0,0|0,0,1]=3 1395 B13R0.147 CC#CCCCCCCCC(=O)OC Amb22641576 [0,2,0,0,0,0|0,0,1]=3 1396 B13R0.147 CCCCCCCCCCC(=O)NN Amb534278 [0,2,0,0,0,0|1,0,0]=3 1397 B13R0.147 CCCCCCCCCCC(=O)OC Amb9787313 [0,2,0,0,0,0|0,0,0]=2 1398 B13R0.147 CCCCCCCCCCC(C)C=O Amb32671323 [0,2,0,0,0,0|1,0,1]=4 1399 B13R0.147 CCCCCCCCCCC(C)CO Amb30988002 [0,2,0,0,0,0|1,0,1]=4 1400 B13R0.147 CCCCCCCCCCC(O)CO Amb22002456 [0,2,0,0,0,0|0,0,2]=4 1401 B13R0.147 CCCCCCCCCNC(=O)CCl Amb17797886 [0,2,0,0,0,0|1,0,0]=3 1402 B13R0.147 CCCCCCCCOCC(O)CO Amb4458899 [0,2,0,0,0,0|0,0,2]=4 1403 B13R0.147 CCCCCCCNCCC(=O)NC Amb18333360 [0,2,0,0,0,0|1,0,0]=3 1404 B13R0.147 CCCCCCCNCCC(=O)NN Amb20171959 [0,2,0,0,0,0|1,0,0]=3 1405 B13R0.147 COC(=O)CCCCCCCCC=O Amb9787740 [0,2,0,0,0,0|0,0,1]=3 1406 B13R0.147 COC(=O)CCCCCCCCCBr Amb3941556 [0,2,0,0,0,0|0,0,0]=2 1407 B13R0.147 COC(=O)CCCCCCCCCN Amb32680801 [0,2,0,0,0,0|0,0,0]=2 1408 B13R0.147 COC(=O)CCCCCCCCCN Amb33330795 [0,2,0,0,0,0|0,0,0]=2 1409 B13R0.147 COC(=O)CCCSCCOCCN Amb17502012 [0,2,0,0,0,0|2,0,0]=4 1410 B13R0.147 C\C=C\CCCCCCCC(=O)OC Amb22641574 [0,2,0,0,0,0|0,0,1]=3 1411 B13R0.147 NCCCCCCCCNC(=O)CBr Amb19981082 [0,2,0,0,0,0|2,0,0]=4 1412 B13R0.150 CCCCCCCCCC(=O)C(F)F Amb35744328 [0,2,0,0,0,0|1,0,0]=3 1413 B13R0.150 CCCCCCCCCC(=O)N(C)C Amb2720945 [0,2,0,0,0,0|1,0,0]=3 1414 B13R0.150 CCCCCCCCCC(C)C(=O)O Amb18320092 [0,2,0,0,0,0|0,0,0]=2 1415 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O Amb34139108 [0,2,0,0,0,0|0,0,0]=2 1416 B13R0.150 CCCCCCCCC[C@H](N)C(=O)O Amb34152043 [0,2,0,0,0,0|0,0,0]=2 1417 B13R0.150 CCCCCCCCNC(=O)C(=O)O Amb28653366 [0,2,0,0,0,0|0,0,1]=3 1418 B13R0.150 CCCCCCCCNC(=O)C(C)Br Amb17327670 [0,2,0,0,0,0|2,0,0]=4 1419 B13R0.150 CCCCCCCCNC(=O)C(C)Cl Amb17329451 [0,2,0,0,0,0|2,0,0]=4 1420 B13R0.154 CCCCCCCC(=O)NCC(=O)O Amb3998086 [0,2,0,0,0,0|0,0,1]=3 1421 B13R0.154 CCCCCCCC(C)NCC(C)O Amb9359358 [0,2,0,0,0,0|1,0,1]=4 1422 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] Amb19148937 [0,2,0,0,0,0|0,0,1]=3 1423 B13R0.154 CCCCCCNC(=O)CCC(N)=O Amb17143236 [0,2,0,0,0,0|1,0,1]=4 1424 B13R0.154 COCCOCCN(C)CCC(=O)O Amb28653212 [0,2,0,0,0,0|2,0,0]=4 1425 B13R0.154 COCCOCCN(C)CCC(=O)O Amb32668946 [0,2,0,0,0,0|2,0,0]=4 1426 B13R0.179 CC(Br)CCCCCCCCC(=O)O Amb8487858 [0,2,0,0,0,0|0,0,0]=2 1427 B13R0.179 CC(C)OCCOCCCCC(=O)O Amb9207797 [0,2,0,0,0,0|1,0,0]=3 1428 B13R0.179 NC(=O)CCCCCCCCC(N)=O Amb6366826 [0,2,0,0,0,0|1,0,1]=4 1429 B13R0.179 O=C(Cl)CCCCCCCCC(=O)Cl Amb6608951 [0,2,0,0,0,0|1,0,1]=4 1430 B13R0.179 O=C(O)CCCCCCCCC(=O)O Amb4037061 [0,2,0,0,0,0|0,0,1]=3 1431 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] Amb22168122 [0,2,0,0,0,0|0,0,2]=4 1432 B13R0.202 COC(=O)CCCCCCCC(=O)O Amb2099653 [0,2,0,0,0,0|0,0,1]=3 1433 B13R0.202 O=C(O)CCCCCCCC(F)CBr Amb22547613 [0,2,0,0,0,0|0,0,0]=2 1434 B13R0.2 C=CCCCCCCCC(=O)OCC Amb30666619 [0,2,0,0,0,0|0,0,2]=4 1435 B13R0.2 C=COC(=O)CCCCCCCCC Amb17672564 [0,2,0,0,0,0|0,0,0]=2 1436 B13R0.2 CCCCCCCCCC(=O)CCC Amb9031610 [0,2,0,0,0,0|1,0,0]=3 1437 B13R0.2 CCCCCCCCCC(=O)OCCl Amb31282507 [0,2,0,0,0,0|0,0,0]=2 1438 B13R0.2 CCCCCCCCCC(=O)OCI Amb32410583 [0,2,0,0,0,0|0,0,0]=2 1439 B13R0.2 CCCCCCCCCC(C)CC=O Amb33421993 [0,2,0,0,0,0|1,0,1]=4 1440 B13R0.2 CCCCCCCCCC(C)CCO Amb33321507 [0,2,0,0,0,0|1,0,1]=4 1441 B13R0.2 CCCCCCCCCC(O)CCO Amb24081769 [0,2,0,0,0,0|0,0,2]=4 1442 B13R0.2 CCCCCCCCNC(=O)CC#N Amb1103425 [0,2,0,0,0,0|2,0,0]=4 1443 B13R0.2 CCCCCCCCNC(=O)CCCl Amb17327381 [0,2,0,0,0,0|2,0,0]=4 1444 B13R0.2 CCCCCCCCNC(=O)CNC Amb24115165 [0,2,0,0,0,0|2,0,0]=4 1445 B13R0.2 CCCCCCCCOC(=O)CC#N Amb16232993 [0,2,0,0,0,0|2,0,0]=4 1446 B13R0.2 CCCCCCNCCC(=O)OCC Amb18334458 [0,2,0,0,0,0|1,0,0]=3 1447 B13R0.2 CCOC(=O)CCCCCCCC=O Amb30666661 [0,2,0,0,0,0|1,0,1]=4 1448 B13R0.2 CCOC(=O)CCCCCCCCBr Amb21520303 [0,2,0,0,0,0|1,0,0]=3 1449 B13R0.2 CCOCCCNCCC(=O)OCC Amb9024081 [0,2,0,0,0,0|2,0,0]=4 1450 B13R0.340 CCCCCCCCC(F)[C@@H](O)CO Amb24122594 [0,2,0,0,0,0|0,0,2]=4 1451 B13R0.340 CCCCCCNCC(C)C(=O)OC Amb20673379 [0,2,0,0,0,0|1,0,0]=3 1452 B13R0.340 CCOCCCNCC(C)C(=O)OC Amb9252992 [0,2,0,0,0,0|2,0,0]=4 1453 B13R0.340 COCCCCCNC(C)C(=O)OC Amb33133280 [0,2,0,0,0,0|2,0,0]=4 1454 B13R0.340 COCCCNCCC(N)C(=O)OC Amb32993439 [0,2,0,0,0,0|2,0,0]=4 1455 B13R0.413 C=CCCCCCC[C@@](C)(N)C(=O)O Amb35826773 [0,2,0,0,0,0|0,0,2]=4 1456 B13R0.413 CCCCCCNCC(F)(F)C(=O)O Amb33170084 [0,2,0,0,0,0|1,0,0]=3 1457 B13R0.413 CCCCCCOCC(F)(F)C(=O)O Amb33169275 [0,2,0,0,0,0|1,0,0]=3 1458 B13R0.413 CCCOCCNCC(F)(F)C(=O)O Amb33169918 [0,2,0,0,0,0|2,0,0]=4 1459 B13R0.413 CCCOCCOCC(F)(F)C(=O)O Amb33169278 [0,2,0,0,0,0|2,0,0]=4 1460 B13R0.413 CCCSCCNCC(F)(F)C(=O)O Amb33169727 [0,2,0,0,0,0|2,0,0]=4 1461 B13R0.413 CCOCCCNCC(F)(F)C(=O)O Amb33170255 [0,2,0,0,0,0|2,0,0]=4 1462 B13R0.413 CCSCCCNCC(F)(F)C(=O)O Amb33170309 [0,2,0,0,0,0|2,0,0]=4 1463 B13R0.413 COCCCCNCC(F)(F)C(=O)O Amb33170265 [0,2,0,0,0,0|2,0,0]=4 1464 B13R0.413 CSCCCCNCC(F)(F)C(=O)O Amb33170313 [0,2,0,0,0,0|2,0,0]=4 1465 B13R0.413 NCCCCCSCC(F)(F)C(=O)O Amb33169300 [0,2,0,0,0,0|2,0,0]=4 1466 B13R0.413 O=C(O)C(F)(F)CNCCCCCO Amb33170263 [0,2,0,0,0,0|2,0,0]=4 1467 B13R0.1167 CCCCCCC(C)(O)CCC(=O)O Amb30987997 [0,2,0,0,0,0|0,0,0]=2 1468 B11R1.24 CCCCC1=CC(=O)CCC1 Amb17593800 [1,0,0,1,0,0|1,0,1]=4 1469 B11R1.24 CCCCN1CCCC(=O)C1 Amb28322509 [1,0,0,1,0,0|2,0,0]=4 1470 B11R1.24 CCCC[C@@H]1CCCC(O)O1 Amb27456731 [1,0,0,1,0,0|0,0,2]=4 1471 B11R1.24 CCCC[C@@H]1CCC[C@@H](O)C1 Amb27251503 [1,0,0,1,0,0|1,0,1]=4 1472 B11R1.24 CCCC[C@@H]1CCC[C@H](O)C1 Amb27970937 [1,0,0,1,0,0|1,0,1]=4 1473 B11R1.24 CCCC[C@H]1CCC[C@H](O)C1 Amb27652900 [1,0,0,1,0,0|1,0,1]=4 1474 B11R1.24 CCNCC1CCCC(=O)N1 Amb32721818 [1,0,0,1,0,0|2,0,0]=4 1475 B11R1.24 CCOCC1CCCC(=O)C1 Amb28073558 [1,0,0,1,0,0|2,0,0]=4 1476 B11R1.24 CCSCC1CCCC(=O)C1 Amb35699380 [1,0,0,1,0,0|2,0,0]=4 1477 B11R1.24 CNCCC1CCCC(=O)N1 Amb27466194 [1,0,0,1,0,0|2,0,0]=4 1478 B11R1.24 NCCCC1CCCC(=O)C1 Amb27272657 [1,0,0,1,0,0|2,0,0]=4 1479 B11R1.24 NCCCC1CCCC(=O)N1 Amb18200144 [1,0,0,1,0,0|2,0,0]=4 1480 B11R1.24 O=C1CCCC(CCCO)N1 Amb18199970 [1,0,0,1,0,0|2,0,0]=4 1481 B11R1.27 CCCCCC1=CC(=O)CC1 Amb27987060 [1,0,0,1,0,0|1,0,1]=4 1482 B11R1.27 CCCCCC1=CCC(=O)O1 Amb26998895 [1,0,0,1,0,0|0,0,2]=4 1483 B11R1.27 CCCCCC1C=CC(=O)O1 Amb24766300 [1,0,0,1,0,0|0,0,2]=4 1484 B11R1.27 CCCCCC1CCC(=O)O1 Amb569744 [1,0,0,1,0,0|0,0,0]=2 1485 B11R1.27 CCCCCC1CCC(O)C1 Amb27272444 [1,0,0,1,0,0|1,0,1]=4 1486 B11R1.27 CCCCCC1CN=C(N)O1 Amb27987869 [1,0,0,1,0,0|2,0,0]=4 1487 B11R1.27 CCCCCC1CNC(=O)O1 Amb27987874 [1,0,0,1,0,0|1,0,0]=3 1488 B11R1.27 CCCCC[C@@H]1CCC(=O)C1 Amb27673726 [1,0,0,1,0,0|1,0,0]=3 1489 B11R1.27 CCCCC[C@H]1CCC(=O)C1 Amb28080151 [1,0,0,1,0,0|1,0,0]=3 1490 B11R1.27 CCCCC[C@H]1CCC(=O)N1 Amb28080184 [1,0,0,1,0,0|1,0,0]=3 1491 B11R1.27 CCCCC[C@H]1CCC(=O)O1 Amb22348365 [1,0,0,1,0,0|0,0,0]=2 1492 B11R1.27 CCCNCC1CCC(=O)N1 Amb25382477 [1,0,0,1,0,0|2,0,0]=4 1493 B11R1.27 CCCNCC1CNC(=O)O1 Amb28352094 [1,0,0,1,0,0|2,0,0]=4 1494 B11R1.27 CCCOCC1CCC(=O)C1 Amb27987809 [1,0,0,1,0,0|2,0,0]=4 1495 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 Amb27673440 [1,0,0,1,0,0|2,0,0]=4 1496 B11R1.27 NCCCCC1CCC(=O)O1 Amb27671667 [1,0,0,1,0,0|1,0,0]=3 1497 B11R1.27 O=C1CCC(CCCCBr)C1 Amb27673519 [1,0,0,1,0,0|2,0,0]=4 1498 B11R1.27 O=C1CCC(CCCCCl)C1 Amb27990027 [1,0,0,1,0,0|2,0,0]=4 1499 B11R1.27 O=C1CCC(CCCCO)C1 Amb28080310 [1,0,0,1,0,0|2,0,0]=4 1500 B11R1.53 C#CC1CCCCC1C(=O)O Amb27478096 [1,0,0,1,0,0|0,0,2]=4 1501 B11R1.53 C=CC1CCCCC1C(=O)O Amb18644639 [1,0,0,1,0,0|0,0,2]=4 1502 B11R1.53 C=C[C@@H]1CCCC[C@@H]1C(=O)O Amb27865534 [1,0,0,1,0,0|0,0,2]=4 1503 B11R1.53 C=C[C@@H]1CCCC[C@H]1C(=O)O Amb26552392 [1,0,0,1,0,0|0,0,2]=4 1504 B11R1.53 CC(=O)C1CCCCC1CN Amb24488210 [1,0,0,1,0,0|2,0,0]=4 1505 B11R1.53 CC(=O)C1CCCCC1CO Amb28144180 [1,0,0,1,0,0|2,0,0]=4 1506 B11R1.53 CC(=O)[C@@H]1CCCC[C@@H]1CN Amb33132917 [1,0,0,1,0,0|2,0,0]=4 1507 B11R1.53 CC(=O)[C@H]1CCCC[C@@H]1CBr Amb27252188 [1,0,0,1,0,0|2,0,0]=4 1508 B11R1.53 CC(=O)[C@H]1CCCC[C@@H]1CCl Amb27634843 [1,0,0,1,0,0|2,0,0]=4 1509 B11R1.53 CCC1C=CCCC1C(=O)O Amb28384133 [1,0,0,1,0,0|0,0,2]=4 1510 B11R1.53 CCC1CCCCC1B(O)O Amb21927861 [1,0,0,1,0,0|1,0,1]=4 1511 B11R1.53 CCC1CCCCC1C(=O)O Amb27606678 [1,0,0,1,0,0|0,0,0]=2 1512 B11R1.53 CCC1CCCCC1C(N)=O Amb27989232 [1,0,0,1,0,0|1,0,0]=3 1513 B11R1.53 CCC1CCCCC1[N+](=O)[O-] Amb33299040 [1,0,0,1,0,0|1,0,1]=4 1514 B11R1.53 CCC1CCCCN1C(N)=O Amb8873523 [1,0,0,1,0,0|2,0,0]=4 1515 B11R1.53 CCC1CCCNC1C(=O)O Amb26014486 [1,0,0,1,0,0|1,0,0]=3 1516 B11R1.53 CCC1CCNCC1C(=O)O Amb18199964 [1,0,0,1,0,0|1,0,0]=3 1517 B11R1.53 CCC1CCNCC1C(N)=O Amb28286755 [1,0,0,1,0,0|2,0,0]=4 1518 B11R1.53 CCC1CNCCC1C(=O)O Amb33275584 [1,0,0,1,0,0|1,0,0]=3 1519 B11R1.53 CCC1CNCCC1C(C)=O Amb32676965 [1,0,0,1,0,0|2,0,0]=4 1520 B11R1.53 CCC1CNCCC1C(N)=O Amb27186164 [1,0,0,1,0,0|2,0,0]=4 1521 B11R1.53 CCC1COCCC1C(=O)O Amb27791043 [1,0,0,1,0,0|1,0,0]=3 1522 B11R1.53 CCC1NCCCC1C(=O)O Amb27858957 [1,0,0,1,0,0|1,0,0]=3 1523 B11R1.53 CCC1OCCCC1C(=O)O Amb26441727 [1,0,0,1,0,0|1,0,0]=3 1524 B11R1.53 CCC1OCCCC1C(N)=O Amb27752806 [1,0,0,1,0,0|2,0,0]=4 1525 B11R1.53 CCN1CCCCC1C(=O)O Amb10603421 [1,0,0,1,0,0|1,0,0]=3 1526 B11R1.53 CCN1CCCCC1C(=O)O Amb9299667 [1,0,0,1,0,0|1,0,0]=3 1527 B11R1.53 CCN1CCCC[C@@H]1C(=O)O Amb27400269 [1,0,0,1,0,0|1,0,0]=3 1528 B11R1.53 CCN1CCCC[C@H]1C(=O)O Amb28244690 [1,0,0,1,0,0|1,0,0]=3 1529 B11R1.53 CCN1CCNCC1C(=O)O Amb18199893 [1,0,0,1,0,0|2,0,0]=4 1530 B11R1.53 CCN1CCOCC1C(=O)O Amb28652958 [1,0,0,1,0,0|2,0,0]=4 1531 B11R1.53 CC[C@@H]1CCCC[C@H]1C(C)=O Amb25232533 [1,0,0,1,0,0|1,0,0]=3 1532 B11R1.53 CC[C@@H]1CCCN[C@@H]1C(=O)O Amb28200831 [1,0,0,1,0,0|1,0,0]=3 1533 B11R1.53 CC[C@@H]1NCCC[C@H]1C(=O)O Amb18199984 [1,0,0,1,0,0|1,0,0]=3 1534 B11R1.53 CC[C@@H]1OCCC[C@@H]1C(=O)O Amb27858544 [1,0,0,1,0,0|1,0,0]=3 1535 B11R1.53 CC[C@H]1CC=CC[C@@H]1C(=O)O Amb27252233 [1,0,0,1,0,0|0,0,2]=4 1536 B11R1.53 CC[C@H]1CCCN[C@@H]1C(=O)O Amb27620290 [1,0,0,1,0,0|1,0,0]=3 1537 B11R1.53 CNC1CCCCC1C(=O)O Amb26595951 [1,0,0,1,0,0|1,0,0]=3 1538 B11R1.53 CNC1CCCCC1C(N)=O Amb25255322 [1,0,0,1,0,0|2,0,0]=4 1539 B11R1.53 CN[C@@H]1CCCC[C@@H]1C(N)=O Amb27631439 [1,0,0,1,0,0|2,0,0]=4 1540 B11R1.53 COC1CCCCC1C(=O)Cl Amb25124892 [1,0,0,1,0,0|2,0,0]=4 1541 B11R1.53 COC1CCCCC1C(=O)O Amb18967398 [1,0,0,1,0,0|1,0,0]=3 1542 B11R1.53 COC1CCCCC1C(C)=O Amb27762537 [1,0,0,1,0,0|2,0,0]=4 1543 B11R1.53 COC1CCCCC1C(N)=O Amb27152949 [1,0,0,1,0,0|2,0,0]=4 1544 B11R1.53 COC1CCNCC1C(=O)O Amb27427525 [1,0,0,1,0,0|2,0,0]=4 1545 B11R1.53 COC1CCOCC1C(=O)O Amb27813521 [1,0,0,1,0,0|2,0,0]=4 1546 B11R1.53 COC1CNCCC1C(=O)O Amb26427777 [1,0,0,1,0,0|2,0,0]=4 1547 B11R1.53 COC1COCCC1C(=O)O Amb27399112 [1,0,0,1,0,0|2,0,0]=4 1548 B11R1.53 COC1OCCCC1C(=O)O Amb28245261 [1,0,0,1,0,0|2,0,0]=4 1549 B11R1.53 CO[C@H]1CCCC[C@@H]1C(=O)O Amb27845470 [1,0,0,1,0,0|1,0,0]=3 1550 B11R1.53 N#CC1CCCCC1C(=O)O Amb18125545 [1,0,0,1,0,0|1,0,1]=4 1551 B11R1.53 NC(=O)C1CCCCC1CO Amb28365379 [1,0,0,1,0,0|2,0,0]=4 1552 B11R1.53 NC(=O)[C@@H]1CCCC[C@@H]1CO Amb26884904 [1,0,0,1,0,0|2,0,0]=4 1553 B11R1.53 NC(=O)[C@@H]1CCCC[C@H]1CO Amb16233807 [1,0,0,1,0,0|2,0,0]=4 1554 B11R1.53 NC(=O)[C@H]1CCCC[C@H]1CO Amb25362020 [1,0,0,1,0,0|2,0,0]=4 1555 B11R1.53 NCC1CCCCC1C(=O)O Amb18126060 [1,0,0,1,0,0|1,0,0]=3 1556 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O Amb22901093 [1,0,0,1,0,0|1,0,0]=3 1557 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O Amb24602383 [1,0,0,1,0,0|1,0,0]=3 1558 B11R1.53 O=C(O)C1CCCCC1CCl Amb28121870 [1,0,0,1,0,0|1,0,0]=3 1559 B11R1.53 O=C(O)C1CCCCC1CF Amb20668097 [1,0,0,1,0,0|1,0,0]=3 1560 B11R1.53 O=C(O)C1CCCCC1CO Amb24484407 [1,0,0,1,0,0|1,0,0]=3 1561 B11R1.53 O=C(O)C1CCNCC1CO Amb28053243 [1,0,0,1,0,0|2,0,0]=4 1562 B11R1.53 O=C(O)C1CNCCC1CO Amb27215492 [1,0,0,1,0,0|2,0,0]=4 1563 B11R1.53 O=C(O)[C@@H]1CCCN[C@H]1CO Amb18199870 [1,0,0,1,0,0|2,0,0]=4 1564 B11R1.53 O=C(O)[C@H]1CCCC[C@H]1CO Amb24615220 [1,0,0,1,0,0|1,0,0]=3 1565 B11R1.53 O=C(O)[C@H]1CCCN[C@@H]1CO Amb27420244 [1,0,0,1,0,0|2,0,0]=4 1566 B11R1.57 C=C[C@@H]1CCC[C@@H]1CC(=O)O Amb27788425 [1,0,0,1,0,0|0,0,2]=4 1567 B11R1.57 CC(=O)C[C@@H]1CCC[C@H]1CCl Amb27660210 [1,0,0,1,0,0|2,0,0]=4 1568 B11R1.57 CCC1CCCC1NC(=O)Cl Amb35633526 [1,0,0,1,0,0|2,0,0]=4 1569 B11R1.57 CCC1CNCC1CC(=O)O Amb28198977 [1,0,0,1,0,0|1,0,0]=3 1570 B11R1.57 CCC1COCC1CC(=O)O Amb35631919 [1,0,0,1,0,0|1,0,0]=3 1571 B11R1.57 CCN1CCCC1CC(=O)O Amb17504530 [1,0,0,1,0,0|1,0,0]=3 1572 B11R1.57 CCN1CCCC1CC(=O)O Amb33550833 [1,0,0,1,0,0|1,0,0]=3 1573 B11R1.57 CC[C@@H]1NCC[C@H]1CC(=O)O Amb18199980 [1,0,0,1,0,0|1,0,0]=3 1574 B11R1.57 CC[C@H]1NCC[C@@H]1CC(=O)O Amb28429151 [1,0,0,1,0,0|1,0,0]=3 1575 B11R1.57 COC1CCCC1CC(=O)O Amb18199909 [1,0,0,1,0,0|1,0,0]=3 1576 B11R1.57 N#CC1CCCC1CC(=O)O Amb18201141 [1,0,0,1,0,0|1,0,1]=4 1577 B11R1.57 NCC1CCCN1CC(=O)O Amb26998361 [1,0,0,1,0,0|2,0,0]=4 1578 B11R1.57 NC[C@@H]1CCCN1CC(=O)O Amb24737565 [1,0,0,1,0,0|2,0,0]=4 1579 B11R1.57 NC[C@@H]1CCC[C@H]1CC(=O)O Amb27967366 [1,0,0,1,0,0|1,0,0]=3 1580 B11R1.57 NC[C@H]1CCCN1CC(=O)O Amb25314232 [1,0,0,1,0,0|2,0,0]=4 1581 B11R1.57 O=C(O)CN1CCCC1CO Amb18984550 [1,0,0,1,0,0|2,0,0]=4 1582 B11R1.57 O=C(O)CN1CCC[C@H]1CO Amb10067045 [1,0,0,1,0,0|2,0,0]=4 1583 B11R1.86 C=C1CCCCC1CC(=O)O Amb18125767 [1,0,0,1,0,0|0,0,2]=4 1584 B11R1.86 C=C1CCCC[C@@H]1CC(=O)O Amb27407705 [1,0,0,1,0,0|0,0,2]=4 1585 B11R1.86 CC(=O)CC1CCCCC1Cl Amb28137935 [1,0,0,1,0,0|2,0,0]=4 1586 B11R1.86 CC(=O)CC1CCCCC1F Amb27791180 [1,0,0,1,0,0|2,0,0]=4 1587 B11R1.86 CC(=O)CC1CCCCC1N Amb24582661 [1,0,0,1,0,0|2,0,0]=4 1588 B11R1.86 CC(=O)CC1CCCCN1C Amb5718445 [1,0,0,1,0,0|2,0,0]=4 1589 B11R1.86 CC(=O)CN1CCCCC1C Amb8427993 [1,0,0,1,0,0|2,0,0]=4 1590 B11R1.86 CC(=O)C[C@@H]1CCCCN1C Amb26450192 [1,0,0,1,0,0|2,0,0]=4 1591 B11R1.86 CC(=O)C[C@@H]1CCCC[C@@H]1N Amb33307982 [1,0,0,1,0,0|2,0,0]=4 1592 B11R1.86 CC(=O)C[C@@H]1CCCC[C@H]1O Amb27212016 [1,0,0,1,0,0|2,0,0]=4 1593 B11R1.86 CC(=O)N[C@H]1CCCC[C@@H]1C Amb28435840 [1,0,0,1,0,0|2,0,0]=4 1594 B11R1.86 CC(=O)O[C@@H]1CCCC[C@H]1C Amb26958236 [1,0,0,1,0,0|2,0,0]=4 1595 B11R1.86 CC1CCCCC1CB(O)O Amb28063935 [1,0,0,1,0,0|1,0,1]=4 1596 B11R1.86 CC1CCCCC1CC(=O)O Amb6749252 [1,0,0,1,0,0|0,0,0]=2 1597 B11R1.86 CC1CCCCC1CC(N)=O Amb27232827 [1,0,0,1,0,0|1,0,0]=3 1598 B11R1.86 CC1CCCCC1NC(=O)Cl Amb35637113 [1,0,0,1,0,0|2,0,0]=4 1599 B11R1.86 CC1CCCCC1NC(N)=O Amb1105317 [1,0,0,1,0,0|2,0,0]=4 1600 B11R1.86 CC1CCCCC1OC(=O)Cl Amb27648622 [1,0,0,1,0,0|2,0,0]=4 1601 B11R1.86 CC1CCCCN1CC(=O)O Amb6356107 [1,0,0,1,0,0|1,0,0]=3 1602 B11R1.86 CC1CCCCN1CC(N)=O Amb6528335 [1,0,0,1,0,0|2,0,0]=4 1603 B11R1.86 CC1CCNCC1CC(=O)O Amb28652859 [1,0,0,1,0,0|1,0,0]=3 1604 B11R1.86 CC1CCNCC1CC(=O)O Amb8387926 [1,0,0,1,0,0|1,0,0]=3 1605 B11R1.86 CC1CNCCC1CC(=O)O Amb8387925 [1,0,0,1,0,0|1,0,0]=3 1606 B11R1.86 CC1CNCCN1CC(=O)O Amb18286635 [1,0,0,1,0,0|2,0,0]=4 1607 B11R1.86 CC1CSCCN1CC(=O)O Amb27454283 [1,0,0,1,0,0|2,0,0]=4 1608 B11R1.86 CC1NCCCC1CC(=O)O Amb32662853 [1,0,0,1,0,0|1,0,0]=3 1609 B11R1.86 CC1NCCCC1CC(=O)O Amb8387928 [1,0,0,1,0,0|1,0,0]=3 1610 B11R1.86 CC1NCCCC1CC(N)=O Amb27186162 [1,0,0,1,0,0|2,0,0]=4 1611 B11R1.86 CC1SCCCC1CC(=O)O Amb27235116 [1,0,0,1,0,0|1,0,0]=3 1612 B11R1.86 CN1CCCCC1CC(=O)O Amb1076959 [1,0,0,1,0,0|1,0,0]=3 1613 B11R1.86 CN1CCCCC1CC(=O)O Amb13885783 [1,0,0,1,0,0|1,0,0]=3 1614 B11R1.86 CN1CCCCC1CC(N)=O Amb26606500 [1,0,0,1,0,0|2,0,0]=4 1615 B11R1.86 CN1CCNCC1CC(=O)O Amb18199894 [1,0,0,1,0,0|2,0,0]=4 1616 B11R1.86 CN1CCOCC1CC(=O)O Amb18199876 [1,0,0,1,0,0|2,0,0]=4 1617 B11R1.86 CN1CCOCC1CC(=O)O Amb33328716 [1,0,0,1,0,0|2,0,0]=4 1618 B11R1.86 C[C@@H]1CNCCN1CC(=O)O Amb28314163 [1,0,0,1,0,0|2,0,0]=4 1619 B11R1.86 C[C@H]1CNCCN1CC(=O)O Amb25843322 [1,0,0,1,0,0|2,0,0]=4 1620 B11R1.86 NC(=O)CC1CCCCC1O Amb25700984 [1,0,0,1,0,0|2,0,0]=4 1621 B11R1.86 NC1CCCCC1CC(=O)O Amb24509773 [1,0,0,1,0,0|1,0,0]=3 1622 B11R1.86 NC1CCCCC1CC(=O)O Amb28652992 [1,0,0,1,0,0|1,0,0]=3 1623 B11R1.86 NC1CCCCN1CC(=O)O Amb25152865 [1,0,0,1,0,0|2,0,0]=4 1624 B11R1.86 NC1CCNCC1CC(=O)O Amb32863483 [1,0,0,1,0,0|2,0,0]=4 1625 B11R1.86 NC1CCOCC1CC(=O)O Amb32992077 [1,0,0,1,0,0|2,0,0]=4 1626 B11R1.86 NC1CCSCC1CC(=O)O Amb32863486 [1,0,0,1,0,0|2,0,0]=4 1627 B11R1.86 NC1CSCCC1CC(=O)O Amb27229405 [1,0,0,1,0,0|2,0,0]=4 1628 B11R1.86 N[C@@H]1CCCC[C@@H]1CC(=O)O Amb26528136 [1,0,0,1,0,0|1,0,0]=3 1629 B11R1.86 N[C@@H]1CCCC[C@@H]1CC(=O)O Amb32661117 [1,0,0,1,0,0|1,0,0]=3 1630 B11R1.86 N[C@@H]1CCCC[C@H]1CC(=O)O Amb28199039 [1,0,0,1,0,0|1,0,0]=3 1631 B11R1.86 N[C@H]1CCCC[C@H]1CC(=O)O Amb24561031 [1,0,0,1,0,0|1,0,0]=3 1632 B11R1.86 O=C(O)CC1CCCCC1=O Amb18125947 [1,0,0,1,0,0|1,0,1]=4 1633 B11R1.86 O=C(O)CC1CCCCC1F Amb24697602 [1,0,0,1,0,0|1,0,0]=3 1634 B11R1.86 O=C(O)CC1CCCCC1O Amb8009303 [1,0,0,1,0,0|1,0,0]=3 1635 B11R1.86 O=C(O)CC1CCCC[C@H]1O Amb25792260 [1,0,0,1,0,0|1,0,0]=3 1636 B11R1.86 O=C(O)CC1CCOCC1O Amb18199849 [1,0,0,1,0,0|2,0,0]=4 1637 B11R1.86 O=C(O)CC1CCSCC1O Amb18196580 [1,0,0,1,0,0|2,0,0]=4 1638 B11R1.86 O=C(O)CC1CNCCC1F Amb27592671 [1,0,0,1,0,0|2,0,0]=4 1639 B11R1.86 O=C(O)CC1COCCC1O Amb18199848 [1,0,0,1,0,0|2,0,0]=4 1640 B11R1.86 O=C(O)CC1CSCCC1F Amb27445619 [1,0,0,1,0,0|2,0,0]=4 1641 B11R1.86 O=C(O)CC1CSCCC1O Amb18196579 [1,0,0,1,0,0|2,0,0]=4 1642 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1F Amb25168843 [1,0,0,1,0,0|1,0,0]=3 1643 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1O Amb28057566 [1,0,0,1,0,0|1,0,0]=3 1644 B11R1.86 O=C(O)C[C@@H]1OCCC[C@H]1O Amb27232764 [1,0,0,1,0,0|2,0,0]=4 1645 B11R1.86 O=C(O)C[C@H]1CCCC[C@@H]1O Amb25274080 [1,0,0,1,0,0|1,0,0]=3 1646 B11R1.86 O=C(O)C[C@H]1CCCC[C@H]1O Amb27419962 [1,0,0,1,0,0|1,0,0]=3 1647 B11R1.90 CC(=O)CCC1CCCN1C Amb25145698 [1,0,0,1,0,0|2,0,0]=4 1648 B11R1.90 CC(=O)CCC1CCOC1C Amb33426815 [1,0,0,1,0,0|2,0,0]=4 1649 B11R1.90 CC(=O)NCC1CCCC1C Amb27617362 [1,0,0,1,0,0|2,0,0]=4 1650 B11R1.90 CC(=O)NC[C@@H]1CCC[C@@H]1C Amb27216289 [1,0,0,1,0,0|2,0,0]=4 1651 B11R1.90 CC(O)CC[C@H]1CCC[C@@H]1C Amb27198020 [1,0,0,1,0,0|1,0,1]=4 1652 B11R1.90 CC(O)CC[C@H]1CCC[C@H]1C Amb27472609 [1,0,0,1,0,0|1,0,1]=4 1653 B11R1.90 CC1CCCC1CNC(=O)Cl Amb35633347 [1,0,0,1,0,0|2,0,0]=4 1654 B11R1.90 CC1CCNC1CCC(N)=O Amb27638874 [1,0,0,1,0,0|2,0,0]=4 1655 B11R1.90 CC1COCC1NCC(=O)O Amb35632271 [1,0,0,1,0,0|2,0,0]=4 1656 B11R1.90 CC1CSCC1NCC(=O)O Amb27652020 [1,0,0,1,0,0|2,0,0]=4 1657 B11R1.90 CC1OCCC1CCC(=O)O Amb33427953 [1,0,0,1,0,0|1,0,0]=3 1658 B11R1.90 CC1OCCC1OCC(=O)O Amb33426781 [1,0,0,1,0,0|2,0,0]=4 1659 B11R1.90 CN1CCCC1CCC(=O)O Amb17504569 [1,0,0,1,0,0|1,0,0]=3 1660 B11R1.90 CN1CCCC1CCC(=O)O Amb28872305 [1,0,0,1,0,0|1,0,0]=3 1661 B11R1.90 C[C@H]1CCC[C@@H]1CCC(=O)O Amb28455731 [1,0,0,1,0,0|0,0,0]=2 1662 B11R1.90 N[C@@H]1CCC[C@H]1CCC(=O)O Amb28244799 [1,0,0,1,0,0|1,0,0]=3 1663 B11R1.90 O=C(O)CCC1CCCC1=O Amb17400002 [1,0,0,1,0,0|1,0,1]=4 1664 B11R1.90 O=C(O)CCC1CCCC1F Amb27623706 [1,0,0,1,0,0|1,0,0]=3 1665 B11R1.90 O=C(O)CCC1NCCC1O Amb27162121 [1,0,0,1,0,0|2,0,0]=4 1666 B11R1.90 O=C(O)CCC1OCCC1O Amb27755061 [1,0,0,1,0,0|2,0,0]=4 1667 B11R1.90 O=C(O)CC[C@@H]1NCC[C@@H]1O Amb27640642 [1,0,0,1,0,0|2,0,0]=4 1668 B11R1.90 O=C(O)CSC1CCCC1O Amb18292041 [1,0,0,1,0,0|2,0,0]=4 1669 B11R1.91 CC(=O)CCC1CCCCC1 Amb9031564 [1,0,0,1,0,0|1,0,0]=3 1670 B11R1.91 CC(=O)CCC1CCCCN1 Amb27881489 [1,0,0,1,0,0|2,0,0]=4 1671 B11R1.91 CC(=O)CCC1CCCCO1 Amb26040132 [1,0,0,1,0,0|2,0,0]=4 1672 B11R1.91 CC(=O)CCC1CCCNC1 Amb25041564 [1,0,0,1,0,0|2,0,0]=4 1673 B11R1.91 CC(=O)CCC1CCCOC1 Amb26058874 [1,0,0,1,0,0|2,0,0]=4 1674 B11R1.91 CC(=O)CCC1CCCSC1 Amb32726147 [1,0,0,1,0,0|2,0,0]=4 1675 B11R1.91 CC(=O)CCC1CCNCC1 Amb24377330 [1,0,0,1,0,0|2,0,0]=4 1676 B11R1.91 CC(=O)CCC1CCOCC1 Amb18182100 [1,0,0,1,0,0|2,0,0]=4 1677 B11R1.91 CC(=O)CCN1CCCCC1 Amb1130395 [1,0,0,1,0,0|2,0,0]=4 1678 B11R1.91 CC(=O)CCN1CCCCC1 Amb33548792 [1,0,0,1,0,0|2,0,0]=4 1679 B11R1.91 CC(=O)OCC1CCCCC1 Amb24323616 [1,0,0,1,0,0|2,0,0]=4 1680 B11R1.91 CC(O)CCC1CCCCC1 Amb18799747 [1,0,0,1,0,0|1,0,1]=4 1681 B11R1.91 CN(O)CCC1CCCCC1 Amb33326187 [1,0,0,1,0,0|2,0,0]=4 1682 B11R1.91 C[C@@H](O)CCC1CCCCC1 Amb33361711 [1,0,0,1,0,0|1,0,1]=4 1683 B11R1.91 C[C@H](O)CCC1CCCCC1 Amb33361713 [1,0,0,1,0,0|1,0,1]=4 1684 B11R1.91 N=C(N)CCC1CCCCC1 Amb24392724 [1,0,0,1,0,0|2,0,0]=4 1685 B11R1.91 NC(=O)CCC1CCCCC1 Amb6430126 [1,0,0,1,0,0|1,0,0]=3 1686 B11R1.91 NC(=O)CCC1CCCCN1 Amb18295940 [1,0,0,1,0,0|2,0,0]=4 1687 B11R1.91 NC(=O)CCC1CCCNC1 Amb10607788 [1,0,0,1,0,0|2,0,0]=4 1688 B11R1.91 NC(=O)CCC1CCCNC1 Amb13949150 [1,0,0,1,0,0|2,0,0]=4 1689 B11R1.91 NC(=O)CCC1CCCOC1 Amb28280723 [1,0,0,1,0,0|2,0,0]=4 1690 B11R1.91 NC(=O)CCC1CCNCC1 Amb8011291 [1,0,0,1,0,0|2,0,0]=4 1691 B11R1.91 NC(=O)CCC1CCNCC1 Amb8503428 [1,0,0,1,0,0|2,0,0]=4 1692 B11R1.91 NC(=O)CCC1CCOCC1 Amb28139505 [1,0,0,1,0,0|2,0,0]=4 1693 B11R1.91 NC(=O)CCN1CCCCC1 Amb9681664 [1,0,0,1,0,0|2,0,0]=4 1694 B11R1.91 NC(=O)CC[C@@H]1CCCNC1 Amb28043282 [1,0,0,1,0,0|2,0,0]=4 1695 B11R1.91 NC(=O)CNC1CCCCC1 Amb6661332 [1,0,0,1,0,0|2,0,0]=4 1696 B11R1.91 NC(=O)COC1CCCCC1 Amb18791809 [1,0,0,1,0,0|2,0,0]=4 1697 B11R1.91 NC(=O)NCC1CCCCC1 Amb4016522 [1,0,0,1,0,0|2,0,0]=4 1698 B11R1.91 NC(=O)OCC1CCCCC1 Amb28458479 [1,0,0,1,0,0|2,0,0]=4 1699 B11R1.91 NC(=S)CCC1CCCCC1 Amb18627059 [1,0,0,1,0,0|1,1,0]=4 1700 B11R1.91 NS(=O)CCC1CCCCC1 Amb32720441 [1,0,0,1,0,0|2,0,0]=4 1701 B11R1.91 N[C@@H](O)CCC1CCCCC1 Amb27960693 [1,0,0,1,0,0|1,0,1]=4 1702 B11R1.91 O=C(Cl)CCC1CCCCC1 Amb2720380 [1,0,0,1,0,0|1,0,0]=3 1703 B11R1.91 O=C(Cl)NCC1CCCCC1 Amb35637043 [1,0,0,1,0,0|2,0,0]=4 1704 B11R1.91 O=C(Cl)OCC1CCCCC1 Amb25140788 [1,0,0,1,0,0|2,0,0]=4 1705 B11R1.91 O=C(O)C#CC1CCCCC1 Amb21963916 [1,0,0,1,0,0|0,0,2]=4 1706 B11R1.91 O=C(O)CCC1=CCCCC1 Amb25775024 [1,0,0,1,0,0|0,0,2]=4 1707 B11R1.91 O=C(O)CCC1CC=CCC1 Amb26491506 [1,0,0,1,0,0|0,0,2]=4 1708 B11R1.91 O=C(O)CCC1CCCCC1 Amb3939828 [1,0,0,1,0,0|0,0,0]=2 1709 B11R1.91 O=C(O)CCC1CCCCN1 Amb1102729 [1,0,0,1,0,0|1,0,0]=3 1710 B11R1.91 O=C(O)CCC1CCCCN1 Amb8630249 [1,0,0,1,0,0|1,0,0]=3 1711 B11R1.91 O=C(O)CCC1CCCCO1 Amb17506864 [1,0,0,1,0,0|1,0,0]=3 1712 B11R1.91 O=C(O)CCC1CCCCS1 Amb33470228 [1,0,0,1,0,0|1,0,0]=3 1713 B11R1.91 O=C(O)CCC1CCCNC1 Amb10576190 [1,0,0,1,0,0|1,0,0]=3 1714 B11R1.91 O=C(O)CCC1CCCNC1 Amb1101056 [1,0,0,1,0,0|1,0,0]=3 1715 B11R1.91 O=C(O)CCC1CCCOC1 Amb33529911 [1,0,0,1,0,0|1,0,0]=3 1716 B11R1.91 O=C(O)CCC1CCCSC1 Amb18825218 [1,0,0,1,0,0|1,0,0]=3 1717 B11R1.91 O=C(O)CCC1CCC[NH2+]C1 Amb2694709 [1,0,0,1,0,0|1,0,0]=3 1718 B11R1.91 O=C(O)CCC1CCNCC1 Amb10609864 [1,0,0,1,0,0|1,0,0]=3 1719 B11R1.91 O=C(O)CCC1CCNCC1 Amb10609915 [1,0,0,1,0,0|1,0,0]=3 1720 B11R1.91 O=C(O)CCC1CCNCC1 Amb2696646 [1,0,0,1,0,0|1,0,0]=3 1721 B11R1.91 O=C(O)CCC1CCOCC1 Amb18990337 [1,0,0,1,0,0|1,0,0]=3 1722 B11R1.91 O=C(O)CCC1CCSCC1 Amb18197511 [1,0,0,1,0,0|1,0,0]=3 1723 B11R1.91 O=C(O)CCC1CNCCN1 Amb22229402 [1,0,0,1,0,0|2,0,0]=4 1724 B11R1.91 O=C(O)CCC1CNCCO1 Amb18061965 [1,0,0,1,0,0|2,0,0]=4 1725 B11R1.91 O=C(O)CCC1CNCCO1 Amb34155769 [1,0,0,1,0,0|2,0,0]=4 1726 B11R1.91 O=C(O)CCC1COCCN1 Amb10603708 [1,0,0,1,0,0|2,0,0]=4 1727 B11R1.91 O=C(O)CCC1COCCO1 Amb545206 [1,0,0,1,0,0|2,0,0]=4 1728 B11R1.91 O=C(O)CCC1OCCCO1 Amb6305245 [1,0,0,1,0,0|2,0,0]=4 1729 B11R1.91 O=C(O)CCN1CCCCC1 Amb10609748 [1,0,0,1,0,0|1,0,0]=3 1730 B11R1.91 O=C(O)CCN1CCCCC1 Amb594197 [1,0,0,1,0,0|1,0,0]=3 1731 B11R1.91 O=C(O)CCN1CCCCO1 Amb13949096 [1,0,0,1,0,0|2,0,0]=4 1732 B11R1.91 O=C(O)CCN1CCCCO1 Amb8009617 [1,0,0,1,0,0|2,0,0]=4 1733 B11R1.91 O=C(O)CCN1CCNCC1 Amb10609986 [1,0,0,1,0,0|2,0,0]=4 1734 B11R1.91 O=C(O)CCN1CCNCC1 Amb10610059 [1,0,0,1,0,0|2,0,0]=4 1735 B11R1.91 O=C(O)CCN1CCNCC1 Amb2690366 [1,0,0,1,0,0|2,0,0]=4 1736 B11R1.91 O=C(O)CCN1CCOCC1 Amb1098976 [1,0,0,1,0,0|2,0,0]=4 1737 B11R1.91 O=C(O)CCN1CCOCC1 Amb1294360 [1,0,0,1,0,0|2,0,0]=4 1738 B11R1.91 O=C(O)CCN1CCOCC1 Amb22504586 [1,0,0,1,0,0|2,0,0]=4 1739 B11R1.91 O=C(O)CCN1CCSCC1 Amb6307195 [1,0,0,1,0,0|2,0,0]=4 1740 B11R1.91 O=C(O)CNC1CCCCC1 Amb19263851 [1,0,0,1,0,0|1,0,0]=3 1741 B11R1.91 O=C(O)CNC1CCCCC1 Amb840542 [1,0,0,1,0,0|1,0,0]=3 1742 B11R1.91 O=C(O)CNC1CCCSC1 Amb18301750 [1,0,0,1,0,0|2,0,0]=4 1743 B11R1.91 O=C(O)CNC1CCNCC1 Amb18289709 [1,0,0,1,0,0|2,0,0]=4 1744 B11R1.91 O=C(O)CNC1CCNCC1 Amb24271155 [1,0,0,1,0,0|2,0,0]=4 1745 B11R1.91 O=C(O)CNC1CCOCC1 Amb9472619 [1,0,0,1,0,0|2,0,0]=4 1746 B11R1.91 O=C(O)COC1CCCCC1 Amb2693120 [1,0,0,1,0,0|1,0,0]=3 1747 B11R1.91 O=C(O)COC1CCCCO1 Amb28325642 [1,0,0,1,0,0|2,0,0]=4 1748 B11R1.91 O=C(O)COC1CCCNC1 Amb13783632 [1,0,0,1,0,0|2,0,0]=4 1749 B11R1.91 O=C(O)COC1CCCNC1 Amb32661916 [1,0,0,1,0,0|2,0,0]=4 1750 B11R1.91 O=C(O)COC1CCCOC1 Amb27467259 [1,0,0,1,0,0|2,0,0]=4 1751 B11R1.91 O=C(O)COC1CCCSC1 Amb25117929 [1,0,0,1,0,0|2,0,0]=4 1752 B11R1.91 O=C(O)COC1CCNCC1 Amb10603194 [1,0,0,1,0,0|2,0,0]=4 1753 B11R1.91 O=C(O)COC1CCNCC1 Amb21960053 [1,0,0,1,0,0|2,0,0]=4 1754 B11R1.91 O=C(O)COC1CCOCC1 Amb18975304 [1,0,0,1,0,0|2,0,0]=4 1755 B11R1.91 O=C(O)CSC1CCCCC1 Amb6537757 [1,0,0,1,0,0|1,0,0]=3 1756 B11R1.91 O=C(O)CSC1CCCCO1 Amb26481367 [1,0,0,1,0,0|2,0,0]=4 1757 B11R1.91 O=C(O)CSC1CCNCC1 Amb17502143 [1,0,0,1,0,0|2,0,0]=4 1758 B11R1.91 O=C(O)\C=C\C1CCCCC1 Amb31330735 [1,0,0,1,0,0|0,0,2]=4 1759 B11R1.91 O=S(Cl)CCC1CCCCC1 Amb32720440 [1,0,0,1,0,0|2,0,0]=4 1760 B11R1.91 O=S([O-])CCC1CCCCC1 Amb32755538 [1,0,0,1,0,0|1,0,1]=4 1761 B11R1.91 O=[N+]([O-])CCC1CCCCC1 Amb25911033 [1,0,0,1,0,0|1,0,1]=4 1762 B11R1.91 OB(O)CCC1CCCCC1 Amb27881671 [1,0,0,1,0,0|1,0,1]=4 1763 B11R1.101 O=C1C=CCCCCCCC1 Amb28254479 [1,0,0,1,0,0|1,0,1]=4 1764 B11R1.101 O=C1CCCCCCCCC1 Amb2778532 [1,0,0,1,0,0|1,0,0]=3 1765 B11R1.101 O=C1CCCCCCCCN1 Amb4034840 [1,0,0,1,0,0|1,0,0]=3 1766 B11R1.101 O=C1CCNCCCCCN1 Amb32679586 [1,0,0,1,0,0|2,0,0]=4 1767 B11R1.101 O=C1CNCCCCCCN1 Amb28044832 [1,0,0,1,0,0|2,0,0]=4 1768 B11R1.101 OC1CCCCCCCCC1 Amb22008249 [1,0,0,1,0,0|1,0,1]=4 1769 B11R1.101 S=C1CCCCCCCCN1 Amb27636863 [1,0,0,1,0,0|1,1,0]=4 1770 B11R1.107 CC1CCCCCCC(=O)C1 Amb28200023 [1,0,0,1,0,0|1,0,0]=3 1771 B11R1.107 O=C1CCCCCCC(=O)O1 Amb27437831 [1,0,0,1,0,0|1,0,1]=4 1772 B11R1.110 CCCC1CCCCC(=O)N1 Amb2229640 [1,0,0,1,0,0|1,0,0]=3 1773 B11R1.110 CCC[C@@H]1CSCCC(=O)N1 Amb27169108 [1,0,0,1,0,0|2,0,0]=4 1774 B11R1.110 COCC1CCCCC(=O)C1 Amb27246950 [1,0,0,1,0,0|2,0,0]=4 1775 B11R1.110 NCCC1CCCCC(=O)N1 Amb19515432 [1,0,0,1,0,0|2,0,0]=4 1776 B11R1.110 O=C1CCCCC(CCCl)O1 Amb27407753 [1,0,0,1,0,0|1,0,0]=3 1777 B11R1.110 O=C1CCCC[C@@H](CCO)O1 Amb27197176 [1,0,0,1,0,0|1,0,0]=3 1778 B11R1.143 CC(=O)C1CCCCCC1C Amb35725700 [1,0,0,1,0,0|1,0,0]=3 1779 B11R1.143 CC(=O)C1CCCCCC1N Amb26968176 [1,0,0,1,0,0|2,0,0]=4 1780 B11R1.143 CC(=O)C1CCCCCC1O Amb32945460 [1,0,0,1,0,0|2,0,0]=4 1781 B11R1.143 CC(=O)C1CCCCCN1C Amb27963187 [1,0,0,1,0,0|2,0,0]=4 1782 B11R1.143 CC(=O)[C@@H]1CCCCC[C@@H]1N Amb33307461 [1,0,0,1,0,0|2,0,0]=4 1783 B11R1.143 CC(=O)[C@@H]1CCCCC[C@H]1O Amb32945317 [1,0,0,1,0,0|2,0,0]=4 1784 B11R1.143 CC(O)C1CCCCCC1C Amb35672756 [1,0,0,1,0,0|1,0,1]=4 1785 B11R1.143 CC1CCNCCC1C(=O)O Amb27445777 [1,0,0,1,0,0|1,0,0]=3 1786 B11R1.143 CC1CCOCCC1C(=O)O Amb27861013 [1,0,0,1,0,0|1,0,0]=3 1787 B11R1.143 CC1NCCCCC1C(=O)O Amb27597000 [1,0,0,1,0,0|1,0,0]=3 1788 B11R1.143 CN1CCCCCC1C(=O)O Amb3941310 [1,0,0,1,0,0|1,0,0]=3 1789 B11R1.143 CN1CCCCCC1C(=O)O Amb8503498 [1,0,0,1,0,0|1,0,0]=3 1790 B11R1.143 CN1CCCCCC1C(N)=O Amb27607657 [1,0,0,1,0,0|2,0,0]=4 1791 B11R1.143 CN1CCCOCC1C(=O)O Amb27842358 [1,0,0,1,0,0|2,0,0]=4 1792 B11R1.143 C[C@@H]1NCCCC[C@H]1C(=O)O Amb18199981 [1,0,0,1,0,0|1,0,0]=3 1793 B11R1.143 C[C@H]1NCCCC[C@@H]1C(=O)O Amb27420245 [1,0,0,1,0,0|1,0,0]=3 1794 B11R1.143 NC(=O)C1CCCCCC1N Amb20668797 [1,0,0,1,0,0|2,0,0]=4 1795 B11R1.143 NC(=O)C1CCCCCC1N Amb22059737 [1,0,0,1,0,0|2,0,0]=4 1796 B11R1.143 NC(=O)C1CCCCCC1O Amb25760752 [1,0,0,1,0,0|2,0,0]=4 1797 B11R1.143 NC(=O)[C@@H]1CCCCC[C@H]1O Amb28137536 [1,0,0,1,0,0|2,0,0]=4 1798 B11R1.143 NC1CCCCCC1C(=O)O Amb2694961 [1,0,0,1,0,0|1,0,0]=3 1799 B11R1.143 NC1CCCCCC1C(=O)O Amb8630073 [1,0,0,1,0,0|1,0,0]=3 1800 B11R1.143 NC1CCNCCC1C(=O)O Amb26917458 [1,0,0,1,0,0|2,0,0]=4 1801 B11R1.143 NC1CCOCCC1C(=O)O Amb28051653 [1,0,0,1,0,0|2,0,0]=4 1802 B11R1.143 NC1CCSCCC1C(=O)O Amb28051654 [1,0,0,1,0,0|2,0,0]=4 1803 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O Amb1993851 [1,0,0,1,0,0|1,0,0]=3 1804 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O Amb1994004 [1,0,0,1,0,0|1,0,0]=3 1805 B11R1.143 N[C@@H]1CCCCC[C@H]1C(=O)O Amb27635591 [1,0,0,1,0,0|1,0,0]=3 1806 B11R1.143 N[C@H]1CCCCC[C@@H]1C(=O)O Amb28411250 [1,0,0,1,0,0|1,0,0]=3 1807 B11R1.143 N[C@H]1CCCCC[C@H]1C(=O)O Amb1993850 [1,0,0,1,0,0|1,0,0]=3 1808 B11R1.143 N[C@H]1CCCCC[C@H]1C(=O)O Amb1994003 [1,0,0,1,0,0|1,0,0]=3 1809 B11R1.143 O=C(O)C1CCCCCC1O Amb18280963 [1,0,0,1,0,0|1,0,0]=3 1810 B11R1.143 O=C(O)C1CCCCCC1S Amb18949212 [1,0,0,1,0,0|1,0,0]=3 1811 B11R1.143 O=C(O)C1CCOCCC1O Amb27613245 [1,0,0,1,0,0|2,0,0]=4 1812 B11R1.143 O=C(O)[C@@H]1CCCCC[C@@H]1O Amb27848050 [1,0,0,1,0,0|1,0,0]=3 1813 B11R1.143 O=C(O)[C@H]1CCCCC[C@@H]1O Amb27848051 [1,0,0,1,0,0|1,0,0]=3 1814 B11R1.161 CC1CCC1CCCC(=O)O Amb27266949 [1,0,0,1,0,0|0,0,0]=2 1815 B11R1.161 CC1CCC1NCCC(=O)O Amb27270129 [1,0,0,1,0,0|1,0,0]=3 1816 B11R1.161 CC1CCC1NCCC(N)=O Amb27270131 [1,0,0,1,0,0|2,0,0]=4 1817 B11R1.172 CC(=O)CCCC1CCCC1 Amb26076138 [1,0,0,1,0,0|1,0,0]=3 1818 B11R1.172 CC(=O)CCCN1CCCC1 Amb9659032 [1,0,0,1,0,0|2,0,0]=4 1819 B11R1.172 CC(=O)COCC1CCCC1 Amb28386909 [1,0,0,1,0,0|2,0,0]=4 1820 B11R1.172 CC(=O)CSCC1CCCC1 Amb27269541 [1,0,0,1,0,0|2,0,0]=4 1821 B11R1.172 CC(=O)NCCC1CCCC1 Amb8328911 [1,0,0,1,0,0|2,0,0]=4 1822 B11R1.172 CC(=O)OCCC1CCCC1 Amb28326525 [1,0,0,1,0,0|2,0,0]=4 1823 B11R1.172 CC(O)CCCC1CCCC1 Amb26992742 [1,0,0,1,0,0|1,0,1]=4 1824 B11R1.172 CN(O)CCCC1CCCC1 Amb33374912 [1,0,0,1,0,0|2,0,0]=4 1825 B11R1.172 C[C@@H](O)CCCC1CCCC1 Amb33378384 [1,0,0,1,0,0|1,0,1]=4 1826 B11R1.172 C[C@H](O)CCCC1CCCC1 Amb33378386 [1,0,0,1,0,0|1,0,1]=4 1827 B11R1.172 N=C(N)CCCC1CCCC1 Amb33379884 [1,0,0,1,0,0|2,0,0]=4 1828 B11R1.172 NC(=O)CCCC1CCCO1 Amb27818759 [1,0,0,1,0,0|2,0,0]=4 1829 B11R1.172 NC(=O)CCCN1CCCC1 Amb17142881 [1,0,0,1,0,0|2,0,0]=4 1830 B11R1.172 NC(=O)CCNC1CCCC1 Amb8841120 [1,0,0,1,0,0|2,0,0]=4 1831 B11R1.172 NC(=O)COCC1CCCC1 Amb28386904 [1,0,0,1,0,0|2,0,0]=4 1832 B11R1.172 NC(=O)CSCC1CCCC1 Amb27269544 [1,0,0,1,0,0|2,0,0]=4 1833 B11R1.172 NC(=S)CCCC1CCCC1 Amb33379883 [1,0,0,1,0,0|1,1,0]=4 1834 B11R1.172 O=C(Cl)NCCC1CCCC1 Amb35625732 [1,0,0,1,0,0|2,0,0]=4 1835 B11R1.172 O=C(O)C#CCC1CCCC1 Amb28370188 [1,0,0,1,0,0|0,0,2]=4 1836 B11R1.172 O=C(O)CC#CC1CCCC1 Amb26346554 [1,0,0,1,0,0|0,0,2]=4 1837 B11R1.172 O=C(O)CCCC1=CCCC1 Amb18125777 [1,0,0,1,0,0|0,0,2]=4 1838 B11R1.172 O=C(O)CCCC1CCCC1 Amb19149142 [1,0,0,1,0,0|0,0,0]=2 1839 B11R1.172 O=C(O)CCCC1CCCN1 Amb18199969 [1,0,0,1,0,0|1,0,0]=3 1840 B11R1.172 O=C(O)CCCC1CCCO1 Amb26990705 [1,0,0,1,0,0|1,0,0]=3 1841 B11R1.172 O=C(O)CCCC1CCCS1 Amb26659241 [1,0,0,1,0,0|1,0,0]=3 1842 B11R1.172 O=C(O)CCCC1CCOC1 Amb24755490 [1,0,0,1,0,0|1,0,0]=3 1843 B11R1.172 O=C(O)CCCC1CCSC1 Amb27989571 [1,0,0,1,0,0|1,0,0]=3 1844 B11R1.172 O=C(O)CCCN1CCCC1 Amb2607773 [1,0,0,1,0,0|1,0,0]=3 1845 B11R1.172 O=C(O)CCCN1CCCC1 Amb33551514 [1,0,0,1,0,0|1,0,0]=3 1846 B11R1.172 O=C(O)CCNC1CCCC1 Amb1109669 [1,0,0,1,0,0|1,0,0]=3 1847 B11R1.172 O=C(O)CCNC1CCCC1 Amb13951292 [1,0,0,1,0,0|1,0,0]=3 1848 B11R1.172 O=C(O)CCOC1CCCC1 Amb6275835 [1,0,0,1,0,0|1,0,0]=3 1849 B11R1.172 O=C(O)CCOC1CCOC1 Amb27271540 [1,0,0,1,0,0|2,0,0]=4 1850 B11R1.172 O=C(O)CCSC1CCCC1 Amb6274643 [1,0,0,1,0,0|1,0,0]=3 1851 B11R1.172 O=C(O)CCSC1CCOC1 Amb27271544 [1,0,0,1,0,0|2,0,0]=4 1852 B11R1.172 O=C(O)CNCC1CCCN1 Amb27673661 [1,0,0,1,0,0|2,0,0]=4 1853 B11R1.172 O=C(O)CNCC1CCCO1 Amb7766544 [1,0,0,1,0,0|2,0,0]=4 1854 B11R1.172 O=C(O)CNCC1CCOC1 Amb8827655 [1,0,0,1,0,0|2,0,0]=4 1855 B11R1.172 O=C(O)CNCC1CCSC1 Amb27989553 [1,0,0,1,0,0|2,0,0]=4 1856 B11R1.172 O=C(O)CNOC1CCCC1 Amb27271182 [1,0,0,1,0,0|2,0,0]=4 1857 B11R1.172 O=C(O)COCC1CCCC1 Amb21963936 [1,0,0,1,0,0|1,0,0]=3 1858 B11R1.172 O=C(O)COCC1CCCN1 Amb19516849 [1,0,0,1,0,0|2,0,0]=4 1859 B11R1.172 O=C(O)COCC1CCCN1 Amb22587360 [1,0,0,1,0,0|2,0,0]=4 1860 B11R1.172 O=C(O)COCC1CCCO1 Amb9720381 [1,0,0,1,0,0|2,0,0]=4 1861 B11R1.172 O=C(O)COCC1CCOC1 Amb18307774 [1,0,0,1,0,0|2,0,0]=4 1862 B11R1.172 O=C(O)CSCC1CCCO1 Amb9708921 [1,0,0,1,0,0|2,0,0]=4 1863 B11R1.172 O=C(O)C\C=C\C1CCCC1 Amb24473377 [1,0,0,1,0,0|0,0,2]=4 1864 B11R1.172 O=C(O)\C=C\CC1CCCC1 Amb33172382 [1,0,0,1,0,0|0,0,2]=4 1865 B11R1.172 O=[N+]([O-])CCCC1CCCC1 Amb33378376 [1,0,0,1,0,0|1,0,1]=4 1866 B11R1.172 OB(O)CCCC1CCCC1 Amb28388132 [1,0,0,1,0,0|1,0,1]=4 1867 B11R1.176 O=C(O)CCCOCC1CC1 Amb6680910 [1,0,0,1,0,0|1,0,0]=3 1868 B11R1.191 CCCC1CCCCC1(C)O Amb32945232 [1,0,0,1,0,0|1,0,1]=4 1869 B11R1.191 CCC[C@@H]1CCCC[C@@]1(C)O Amb33213723 [1,0,0,1,0,0|1,0,1]=4 1870 B11R1.193 CCCC1CCCC1C(=O)O Amb18644850 [1,0,0,1,0,0|0,0,0]=2 1871 B11R1.193 CCCC1CCCN1C(=O)Cl Amb27493472 [1,0,0,1,0,0|2,0,0]=4 1872 B11R1.193 CCCC1CCNC1C(=O)O Amb25241187 [1,0,0,1,0,0|1,0,0]=3 1873 B11R1.193 CCCC1CCNC1C(=O)O Amb28652947 [1,0,0,1,0,0|1,0,0]=3 1874 B11R1.193 CCCC1CCN[C@@H]1C(=O)O Amb28340938 [1,0,0,1,0,0|1,0,0]=3 1875 B11R1.193 CCCC1COCC1C(=O)O Amb27864218 [1,0,0,1,0,0|1,0,0]=3 1876 B11R1.193 CCCC1COCC1C(C)=O Amb29882922 [1,0,0,1,0,0|2,0,0]=4 1877 B11R1.193 CCCN1CCCC1C(=O)O Amb9704298 [1,0,0,1,0,0|1,0,0]=3 1878 B11R1.193 CCCN1CCCC1C(N)=O Amb26327231 [1,0,0,1,0,0|2,0,0]=4 1879 B11R1.193 CCCN1CCC[C@@H]1C(=O)O Amb27591265 [1,0,0,1,0,0|1,0,0]=3 1880 B11R1.193 CCCN1CCC[C@@H]1C(=O)O Amb27839891 [1,0,0,1,0,0|1,0,0]=3 1881 B11R1.193 CCCN1CCC[C@H]1C(=O)O Amb25864864 [1,0,0,1,0,0|1,0,0]=3 1882 B11R1.193 CCCN1CCC[C@H]1C(N)=O Amb26480008 [1,0,0,1,0,0|2,0,0]=4 1883 B11R1.193 CCC[C@@H]1CCC[C@@H]1C(=O)O Amb27878683 [1,0,0,1,0,0|0,0,0]=2 1884 B11R1.193 CCC[C@@H]1CCN[C@H]1C(=O)O Amb26452406 [1,0,0,1,0,0|1,0,0]=3 1885 B11R1.193 CCC[C@@H]1CNC[C@H]1C(=O)O Amb32992396 [1,0,0,1,0,0|1,0,0]=3 1886 B11R1.193 CCC[C@@H]1CNC[C@H]1C(=O)O Amb32992397 [1,0,0,1,0,0|1,0,0]=3 1887 B11R1.193 CCOC1CNCC1C(=O)O Amb35592518 [1,0,0,1,0,0|2,0,0]=4 1888 B11R1.193 CNCC1CCCC1C(=O)O Amb27654981 [1,0,0,1,0,0|1,0,0]=3 1889 B11R1.193 COCC1CCCC1C(=O)O Amb25200900 [1,0,0,1,0,0|1,0,0]=3 1890 B11R1.193 COC[C@@H]1CCC[C@@H]1C(=O)O Amb27758197 [1,0,0,1,0,0|1,0,0]=3 1891 B11R1.193 COC[C@H]1CCC[C@H]1C(=O)O Amb25295380 [1,0,0,1,0,0|1,0,0]=3 1892 B11R1.193 COC[C@H]1CCO[C@H]1C(=O)O Amb27867716 [1,0,0,1,0,0|2,0,0]=4 1893 B11R1.193 N#CCC1CCC[C@@H]1C(=O)O Amb27427596 [1,0,0,1,0,0|1,0,1]=4 1894 B11R1.193 NCCN1CCCC1C(=O)O Amb27764990 [1,0,0,1,0,0|2,0,0]=4 1895 B11R1.193 O=C(O)C1CCCC1CCF Amb27635907 [1,0,0,1,0,0|1,0,0]=3 1896 B11R1.193 O=C(O)C1CNCC1CCO Amb2696583 [1,0,0,1,0,0|2,0,0]=4 1897 B11R1.193 O=C(O)[C@@H]1CCCN1CCO Amb27839895 [1,0,0,1,0,0|2,0,0]=4 1898 B11R1.193 O=C(O)[C@H]1CCCN1CCO Amb25700707 [1,0,0,1,0,0|2,0,0]=4 1899 B11R1.193 O=CCC1CCCC1C(=O)O Amb28367096 [1,0,0,1,0,0|1,0,1]=4 1900 B11R1.193 O=CC[C@@H]1CCC[C@@H]1C(=O)O Amb27234851 [1,0,0,1,0,0|1,0,1]=4 1901 B11R1.204 CCCCN1CC[C@H]1C(N)=O Amb27272273 [1,0,0,1,0,0|2,0,0]=4 1902 B11R1.204 CCONC1CCC1C(=O)O Amb28386717 [1,0,0,1,0,0|2,0,0]=4 1903 B11R1.204 COCCN1CCC1C(=O)O Amb26998103 [1,0,0,1,0,0|2,0,0]=4 1904 B11R1.204 CSCCC1CCC1C(=O)O Amb27986354 [1,0,0,1,0,0|1,0,0]=3 1905 B11R1.204 NCCNC1CCC1C(=O)O Amb28386725 [1,0,0,1,0,0|2,0,0]=4 1906 B11R1.204 O=C(O)C1NCC1CCCO Amb27673478 [1,0,0,1,0,0|2,0,0]=4 1907 B11R1.245 CCC1CCCCCC(=O)N1 Amb25313080 [1,0,0,1,0,0|1,0,0]=3 1908 B11R1.245 COC1CCCCCC(=O)C1 Amb27164648 [1,0,0,1,0,0|2,0,0]=4 1909 B11R1.271 CCC1CCC1NCC(N)=O Amb27272153 [1,0,0,1,0,0|2,0,0]=4 1910 B11R1.271 CCC1CCN1CCC(=O)O Amb27986912 [1,0,0,1,0,0|1,0,0]=3 1911 B11R1.271 CCC1CCN1CCC(C)=O Amb27986910 [1,0,0,1,0,0|2,0,0]=4 1912 B11R1.271 CCC1CCN1CCC(N)=O Amb27986696 [1,0,0,1,0,0|2,0,0]=4 1913 B11R1.543 CC1(O)CCCCCCCC1 Amb22342433 [1,0,0,1,0,0|1,0,1]=4 1914 B11R1.706 CC(=O)C1CCCCCCC1 Amb25327542 [1,0,0,1,0,0|1,0,0]=3 1915 B11R1.706 O=C(Cl)C1CCCCCCC1 Amb25760237 [1,0,0,1,0,0|1,0,0]=3 1916 B11R1.706 O=C(O)C1C=CCCCCC1 Amb27401809 [1,0,0,1,0,0|0,0,2]=4 1917 B11R1.706 O=C(O)C1CCC=CCCC1 Amb26853121 [1,0,0,1,0,0|0,0,2]=4 1918 B11R1.706 O=C(O)C1CCCCCCC1 Amb18278612 [1,0,0,1,0,0|0,0,0]=2 1919 B11R1.706 O=C(O)C1CCCCCCN1 Amb27760420 [1,0,0,1,0,0|1,0,0]=3 1920 B11R1.706 O=C(O)C1CCCCCCN1 Amb28652940 [1,0,0,1,0,0|1,0,0]=3 1921 B11R1.706 O=C(O)C1CCCSCCC1 Amb28239756 [1,0,0,1,0,0|1,0,0]=3 1922 B11R1.706 O=[N+]([O-])C1CCCCCCC1 Amb33299000 [1,0,0,1,0,0|1,0,1]=4 1923 B11R1.706 OC(O)C1CCCCCCC1 Amb28065889 [1,0,0,1,0,0|0,0,2]=4 1924 B11R1.742 CC(=O)CC1CCCCCC1 Amb25094261 [1,0,0,1,0,0|1,0,0]=3 1925 B11R1.742 CC(=O)CC1CCCCCN1 Amb23585599 [1,0,0,1,0,0|2,0,0]=4 1926 B11R1.742 CC(=O)CC1CCCOCC1 Amb27486093 [1,0,0,1,0,0|2,0,0]=4 1927 B11R1.742 CC(=O)CN1CCCCCC1 Amb8427988 [1,0,0,1,0,0|2,0,0]=4 1928 B11R1.742 CC(=O)CN1CCCCCC1 Amb9173328 [1,0,0,1,0,0|2,0,0]=4 1929 B11R1.742 CC(=O)OC1CCCCCC1 Amb26487005 [1,0,0,1,0,0|2,0,0]=4 1930 B11R1.742 CC(O)CC1CCCCCC1 Amb27195551 [1,0,0,1,0,0|1,0,1]=4 1931 B11R1.742 CN(O)CC1CCCCCC1 Amb33224395 [1,0,0,1,0,0|2,0,0]=4 1932 B11R1.742 C[C@@H](O)CC1CCCCCC1 Amb33267867 [1,0,0,1,0,0|1,0,1]=4 1933 B11R1.742 C[C@H](O)CC1CCCCCC1 Amb33267868 [1,0,0,1,0,0|1,0,1]=4 1934 B11R1.742 N=C(N)CC1CCCCCC1 Amb32882353 [1,0,0,1,0,0|2,0,0]=4 1935 B11R1.742 NC(=O)CC1CCCCCC1 Amb24487974 [1,0,0,1,0,0|1,0,0]=3 1936 B11R1.742 NC(=O)CC1CCCNCC1 Amb24363656 [1,0,0,1,0,0|2,0,0]=4 1937 B11R1.742 NC(=O)CC1CCCNCC1 Amb26473933 [1,0,0,1,0,0|2,0,0]=4 1938 B11R1.742 NC(=O)CC1CCCNCC1 Amb32663654 [1,0,0,1,0,0|2,0,0]=4 1939 B11R1.742 NC(=O)CN1CCCCCC1 Amb8326954 [1,0,0,1,0,0|2,0,0]=4 1940 B11R1.742 NC(=O)NC1CCCCCC1 Amb4008281 [1,0,0,1,0,0|2,0,0]=4 1941 B11R1.742 NC(=S)CC1CCCCCC1 Amb33267826 [1,0,0,1,0,0|1,1,0]=4 1942 B11R1.742 O=C(Cl)NC1CCCCCC1 Amb35637080 [1,0,0,1,0,0|2,0,0]=4 1943 B11R1.742 O=C(Cl)OC1CCCCCC1 Amb28365356 [1,0,0,1,0,0|2,0,0]=4 1944 B11R1.742 O=C(O)C=C1CCCCCC1 Amb6749176 [1,0,0,1,0,0|0,0,2]=4 1945 B11R1.742 O=C(O)CC1C=CCCCC1 Amb26951387 [1,0,0,1,0,0|0,0,2]=4 1946 B11R1.742 O=C(O)CC1CCC=CCC1 Amb26054605 [1,0,0,1,0,0|0,0,2]=4 1947 B11R1.742 O=C(O)CC1CCCCCC1 Amb6749261 [1,0,0,1,0,0|0,0,0]=2 1948 B11R1.742 O=C(O)CC1CCCCCN1 Amb18199972 [1,0,0,1,0,0|1,0,0]=3 1949 B11R1.742 O=C(O)CC1CCCCCO1 Amb27823132 [1,0,0,1,0,0|1,0,0]=3 1950 B11R1.742 O=C(O)CC1CCCCNC1 Amb18199974 [1,0,0,1,0,0|1,0,0]=3 1951 B11R1.742 O=C(O)CC1CCCNCC1 Amb18199994 [1,0,0,1,0,0|1,0,0]=3 1952 B11R1.742 O=C(O)CC1CCCNCC1 Amb30584770 [1,0,0,1,0,0|1,0,0]=3 1953 B11R1.742 O=C(O)CC1CCCOCC1 Amb18199912 [1,0,0,1,0,0|1,0,0]=3 1954 B11R1.742 O=C(O)CC1CCCSCC1 Amb18197457 [1,0,0,1,0,0|1,0,0]=3 1955 B11R1.742 O=C(O)CC1COCCOC1 Amb27847958 [1,0,0,1,0,0|2,0,0]=4 1956 B11R1.742 O=C(O)CN1CCCCCC1 Amb2536986 [1,0,0,1,0,0|1,0,0]=3 1957 B11R1.742 O=C(O)CN1CCCCCC1 Amb9677404 [1,0,0,1,0,0|1,0,0]=3 1958 B11R1.742 O=C(O)CN1CCCNCC1 Amb13952776 [1,0,0,1,0,0|2,0,0]=4 1959 B11R1.742 O=C(O)CN1CCCNCC1 Amb9380317 [1,0,0,1,0,0|2,0,0]=4 1960 B11R1.742 O=[N+]([O-])CC1CCCCCC1 Amb33267271 [1,0,0,1,0,0|1,0,1]=4 1961 B11R1.753 CCCCOC1CC1C(=O)O Amb9677555 [1,0,0,1,0,0|1,0,0]=3 1962 B11R1.753 CCC\C=C\C1CC1C(=O)O Amb33327169 [1,0,0,1,0,0|0,0,2]=4 1963 B11R1.753 CCC\C=C\[C@@H]1C[C@H]1C(=O)O Amb33327155 [1,0,0,1,0,0|0,0,2]=4 1964 B11R1.944 CCC1CCCCCC1(C)O Amb35721138 [1,0,0,1,0,0|1,0,1]=4 1965 B11R1.4 BrCCCCCC1CCCC1 Amb33005083 [1,0,0,1,0,0|1,0,1]=4 1966 B11R1.4 BrCCCCCC1CCCO1 Amb32688248 [1,0,0,1,0,0|1,0,1]=4 1967 B11R1.4 C#CCCCCC1CCCC1 Amb33380242 [1,0,0,1,0,0|1,0,1]=4 1968 B11R1.4 CCCCCCC1CCCN1 Amb2235790 [1,0,0,1,0,0|1,0,1]=4 1969 B11R1.4 CCCCCCC1CCCO1 Amb10558596 [1,0,0,1,0,0|0,0,1]=3 1970 B11R1.4 CCCCNCC1CCCO1 Amb4313709 [1,0,0,1,0,0|1,0,1]=4 1971 B11R1.4 CNCCCCC1CCCC1 Amb33448409 [1,0,0,1,0,0|2,0,0]=4 1972 B11R1.4 ClCCCCCC1CCCO1 Amb32688218 [1,0,0,1,0,0|1,0,1]=4 1973 B11R1.4 N#CCCCCC1CCCC1 Amb33374908 [1,0,0,1,0,0|1,0,1]=4 1974 B11R1.4 NCCCCCC1CCCC1 Amb18200303 [1,0,0,1,0,0|1,0,1]=4 1975 B11R1.4 NOCCCCC1CCCC1 Amb33374554 [1,0,0,1,0,0|2,0,0]=4 1976 B11R1.4 O=C=NCCCC1CCCC1 Amb26083705 [1,0,0,1,0,0|1,0,1]=4 1977 B11R1.4 O=CCCCCC1CCCC1 Amb33358714 [1,0,0,1,0,0|0,0,0]=2 1978 B11R1.4 O=CCCCCN1CCCC1 Amb33225870 [1,0,0,1,0,0|1,0,0]=3 1979 B11R1.4 O=CNCCCC1CCCN1 Amb27989289 [1,0,0,1,0,0|2,0,0]=4 1980 B11R1.4 O=CNCCCC1CCNC1 Amb27989293 [1,0,0,1,0,0|2,0,0]=4 1981 B11R1.4 O=CNCCCN1CCCC1 Amb28386791 [1,0,0,1,0,0|2,0,0]=4 1982 B11R1.4 O=CNCCOC1CCCC1 Amb27818501 [1,0,0,1,0,0|2,0,0]=4 1983 B11R1.4 O=C\C=C\CCC1CCCC1 Amb33374529 [1,0,0,1,0,0|0,0,2]=4 1984 B11R1.4 OCCCCCC1CCCC1 Amb33358865 [1,0,0,1,0,0|0,0,1]=3 1985 B11R1.4 OCCCCCN1CCCC1 Amb17334420 [1,0,0,1,0,0|1,0,1]=4 1986 B11R1.4 OCCCNCC1CCCC1 Amb18177551 [1,0,0,1,0,0|1,0,1]=4 1987 B11R1.4 SCCCCCC1CCCC1 Amb33379887 [1,0,0,1,0,0|0,1,1]=4 1988 B11R1.4 [C-]#[N+]CCCCC1CCCC1 Amb33374569 [1,0,0,1,0,0|2,0,0]=4 1989 B11R1.5 C=C1CCCCCC1CCO Amb27829924 [1,0,0,1,0,0|2,0,0]=4 1990 B11R1.5 C=CCC1CCCCCC1=O Amb18181756 [1,0,0,1,0,0|0,0,2]=4 1991 B11R1.5 C=CCC1CCCCCC1Cl Amb18185761 [1,0,0,1,0,0|2,0,0]=4 1992 B11R1.5 C=CCC1CCCCCC1O Amb18182944 [1,0,0,1,0,0|2,0,0]=4 1993 B11R1.5 C=CC[C@@H]1CCCCC[C@H]1O Amb25968545 [1,0,0,1,0,0|2,0,0]=4 1994 B11R1.5 CC1CCCCCC1CCN Amb27639026 [1,0,0,1,0,0|1,0,1]=4 1995 B11R1.5 CC1CCSCCN1CC=O Amb27786524 [1,0,0,1,0,0|2,0,0]=4 1996 B11R1.5 CC1COCCCN1CC=O Amb28195623 [1,0,0,1,0,0|2,0,0]=4 1997 B11R1.5 CCCC1CCCCCC1Br Amb27809042 [1,0,0,1,0,0|1,0,1]=4 1998 B11R1.5 CCCC1CCCCCC1Cl Amb28291245 [1,0,0,1,0,0|1,0,1]=4 1999 B11R1.5 CCCC1CCCCCC1O Amb18799751 [1,0,0,1,0,0|0,0,1]=3 2000 B11R1.5 CCCC1CSCCNC1=O Amb28284783 [1,0,0,1,0,0|2,0,0]=4 2001 B11R1.5 CCCC1NCCCNC1=O Amb32719912 [1,0,0,1,0,0|2,0,0]=4 2002 B11R1.5 CCCN1CCCNCC1=O Amb22549346 [1,0,0,1,0,0|2,0,0]=4 2003 B11R1.5 CCCN1CCNCCC1=O Amb22498695 [1,0,0,1,0,0|2,0,0]=4 2004 B11R1.5 CCC[C@@H]1CCCCC[C@H]1O Amb24675468 [1,0,0,1,0,0|0,0,1]=3 2005 B11R1.5 CCC[C@H]1NCCCNC1=O Amb32719924 [1,0,0,1,0,0|2,0,0]=4 2006 B11R1.5 CN1CCCCCC1CCO Amb28126475 [1,0,0,1,0,0|1,0,1]=4 2007 B11R1.5 COCC1CCCCCC1O Amb26871984 [1,0,0,1,0,0|1,0,1]=4 2008 B11R1.5 COCC1CCCCNC1=O Amb25093894 [1,0,0,1,0,0|2,0,0]=4 2009 B11R1.5 COC[C@@H]1CCCCC[C@H]1O Amb33213541 [1,0,0,1,0,0|1,0,1]=4 2010 B11R1.5 C[C@@H]1CCOCC[C@H]1OC=O Amb25257191 [1,0,0,1,0,0|2,0,0]=4 2011 B11R1.5 NCCC1CCCCCC1=O Amb18200342 [1,0,0,1,0,0|1,0,0]=3 2012 B11R1.5 NCCC1CCCCCC1O Amb18199945 [1,0,0,1,0,0|1,0,1]=4 2013 B11R1.5 NCCN1CCCCCC1=O Amb10610308 [1,0,0,1,0,0|2,0,0]=4 2014 B11R1.5 NCCN1CCCCCC1=O Amb6252150 [1,0,0,1,0,0|2,0,0]=4 2015 B11R1.5 NCCN1CCCCCC1=O Amb7969849 [1,0,0,1,0,0|2,0,0]=4 2016 B11R1.5 O=C1CCCCCC1CCO Amb27395084 [1,0,0,1,0,0|1,0,0]=3 2017 B11R1.5 O=C1CCCCCN1CCO Amb9370344 [1,0,0,1,0,0|2,0,0]=4 2018 B11R1.5 O=C1NCCCCC1CCO Amb26456499 [1,0,0,1,0,0|2,0,0]=4 2019 B11R1.5 O=CCC1OCCCCC1O Amb28350808 [1,0,0,1,0,0|2,0,0]=4 2020 B11R1.5 O=COC1CCCCCC1Cl Amb27444181 [1,0,0,1,0,0|2,0,0]=4 2021 B11R1.5 OC1CCCCCC1CCF Amb28363868 [1,0,0,1,0,0|1,0,1]=4 2022 B11R1.17 C=C1CCCCC1CCC=O Amb28239533 [1,0,0,1,0,0|0,0,2]=4 2023 B11R1.17 C=C1CCCCC1CCCBr Amb27654983 [1,0,0,1,0,0|2,0,0]=4 2024 B11R1.17 C=CCCC1CCCCC1Br Amb28079317 [1,0,0,1,0,0|2,0,0]=4 2025 B11R1.17 C=CCCC1CCCCC1O Amb25227048 [1,0,0,1,0,0|2,0,0]=4 2026 B11R1.17 C=CCC[C@@H]1CCCC[C@H]1O Amb27793096 [1,0,0,1,0,0|2,0,0]=4 2027 B11R1.17 C=CCNC1CCCCC1C Amb4304020 [1,0,0,1,0,0|2,0,0]=4 2028 B11R1.17 C=CCN[C@@H]1CCCC[C@@H]1C Amb27633906 [1,0,0,1,0,0|2,0,0]=4 2029 B11R1.17 C=CCN[C@H]1CCCC[C@H]1C Amb27462045 [1,0,0,1,0,0|2,0,0]=4 2030 B11R1.17 CC1=C(CCC=O)CCCC1 Amb27592943 [1,0,0,1,0,0|0,0,2]=4 2031 B11R1.17 CC1CCCCC1CCCN Amb28135308 [1,0,0,1,0,0|1,0,1]=4 2032 B11R1.17 CC1CCCCC1NCCO Amb6712645 [1,0,0,1,0,0|1,0,1]=4 2033 B11R1.17 CC1CCCCC1OCC=O Amb18183071 [1,0,0,1,0,0|1,0,0]=3 2034 B11R1.17 CC1CCCCC1\C=C\C=O Amb24513220 [1,0,0,1,0,0|0,0,2]=4 2035 B11R1.17 CC1CCCCN1CCCO Amb3939429 [1,0,0,1,0,0|1,0,1]=4 2036 B11R1.17 CC1CNCCN1CCC=O Amb27419928 [1,0,0,1,0,0|2,0,0]=4 2037 B11R1.17 CC1CSCCN1CCC=O Amb27872905 [1,0,0,1,0,0|2,0,0]=4 2038 B11R1.17 CCCCC1CCCCC1=O Amb3940594 [1,0,0,1,0,0|0,0,0]=2 2039 B11R1.17 CCCCC1CCCCC1C Amb24484363 [1,0,0,1,0,0|1,0,1]=4 2040 B11R1.17 CCCCC1CCCCC1O Amb3354798 [1,0,0,1,0,0|0,0,1]=3 2041 B11R1.17 CCCCC1NCCCC1O Amb27176604 [1,0,0,1,0,0|1,0,1]=4 2042 B11R1.17 CCCCC1NCCNC1=O Amb18989085 [1,0,0,1,0,0|2,0,0]=4 2043 B11R1.17 CCCCC1OCCCC1O Amb27651657 [1,0,0,1,0,0|1,0,1]=4 2044 B11R1.17 CCCCN1CCCCC1=S Amb24589190 [1,0,0,1,0,0|1,1,0]=4 2045 B11R1.17 CCCCN1CCNCC1=O Amb10607569 [1,0,0,1,0,0|2,0,0]=4 2046 B11R1.17 CCCC[C@@H]1CCCC[C@@H]1O Amb25933579 [1,0,0,1,0,0|0,0,1]=3 2047 B11R1.17 CCCC[C@@H]1CCCC[C@H]1N Amb28457366 [1,0,0,1,0,0|1,0,1]=4 2048 B11R1.17 CCCC[C@@H]1CCCC[C@H]1O Amb26614644 [1,0,0,1,0,0|0,0,1]=3 2049 B11R1.17 CCCC[C@@H]1NCCC[C@@H]1O Amb27965046 [1,0,0,1,0,0|1,0,1]=4 2050 B11R1.17 CCCC[C@@H]1OCCC[C@H]1O Amb27852842 [1,0,0,1,0,0|1,0,1]=4 2051 B11R1.17 CCCC[C@H]1NCCC[C@@H]1O Amb27213987 [1,0,0,1,0,0|1,0,1]=4 2052 B11R1.17 CCCNC1CCCCC1O Amb844924 [1,0,0,1,0,0|1,0,1]=4 2053 B11R1.17 CCCN[C@@H]1CCCC[C@@H]1O Amb23263413 [1,0,0,1,0,0|1,0,1]=4 2054 B11R1.17 CCCN[C@@H]1CCCC[C@H]1O Amb10608055 [1,0,0,1,0,0|1,0,1]=4 2055 B11R1.17 CCCOC1CCCCC1O Amb18183283 [1,0,0,1,0,0|1,0,1]=4 2056 B11R1.17 CCCO[C@@H]1CCCC[C@H]1O Amb28319930 [1,0,0,1,0,0|1,0,1]=4 2057 B11R1.17 CCCS[C@@H]1CCCC[C@H]1O Amb25699949 [1,0,0,1,0,0|1,0,1]=4 2058 B11R1.17 CCCS[C@H]1CCCC[C@@H]1O Amb27822957 [1,0,0,1,0,0|1,0,1]=4 2059 B11R1.17 CCC\C=C1/CCCCC1=O Amb3372069 [1,0,0,1,0,0|0,0,2]=4 2060 B11R1.17 CCNCC1CCCCC1O Amb18644960 [1,0,0,1,0,0|1,0,1]=4 2061 B11R1.17 CCOCC1CCCCC1=O Amb27399156 [1,0,0,1,0,0|1,0,0]=3 2062 B11R1.17 CCOCC1CCCCC1O Amb26996081 [1,0,0,1,0,0|1,0,1]=4 2063 B11R1.17 CCOC[C@@H]1CCCC[C@H]1O Amb26970539 [1,0,0,1,0,0|1,0,1]=4 2064 B11R1.17 CN1CCCCC1CCC=O Amb33322456 [1,0,0,1,0,0|1,0,0]=3 2065 B11R1.17 CN1CCCCC1CCCO Amb25846934 [1,0,0,1,0,0|1,0,1]=4 2066 B11R1.17 CNCCC1CCCCC1O Amb28077324 [1,0,0,1,0,0|1,0,1]=4 2067 B11R1.17 CNCCN1CCCCC1=O Amb10607655 [1,0,0,1,0,0|2,0,0]=4 2068 B11R1.17 CNCCN1CCCCC1=O Amb8503381 [1,0,0,1,0,0|2,0,0]=4 2069 B11R1.17 COCCC1CCCNC1=O Amb28313285 [1,0,0,1,0,0|2,0,0]=4 2070 B11R1.17 COCCC1COCCC1=O Amb27628599 [1,0,0,1,0,0|2,0,0]=4 2071 B11R1.17 COCC[C@@H]1CCCC[C@@H]1O Amb27978371 [1,0,0,1,0,0|1,0,1]=4 2072 B11R1.17 COCC[C@@H]1CCCC[C@H]1O Amb27197114 [1,0,0,1,0,0|1,0,1]=4 2073 B11R1.17 COCC[C@H]1CCCCC1=O Amb27974073 [1,0,0,1,0,0|1,0,0]=3 2074 B11R1.17 COCOC1CCCCC1=O Amb27750289 [1,0,0,1,0,0|2,0,0]=4 2075 B11R1.17 CSCCC1CCCNC1=O Amb27949745 [1,0,0,1,0,0|2,0,0]=4 2076 B11R1.17 C[C@H]1CCCC[C@H]1OCCO Amb27220257 [1,0,0,1,0,0|1,0,1]=4 2077 B11R1.17 N#CCCC1CCCCC1=O Amb2720475 [1,0,0,1,0,0|1,0,1]=4 2078 B11R1.17 NCCCC1CCCCC1=O Amb18251486 [1,0,0,1,0,0|1,0,0]=3 2079 B11R1.17 NCCCC1CCCCC1O Amb9783182 [1,0,0,1,0,0|1,0,1]=4 2080 B11R1.17 NCCCC1CCCNC1=O Amb27863499 [1,0,0,1,0,0|2,0,0]=4 2081 B11R1.17 NCCCN1CCCCC1=O Amb6751261 [1,0,0,1,0,0|2,0,0]=4 2082 B11R1.17 NCCC[C@@H]1CCCC[C@H]1O Amb27845404 [1,0,0,1,0,0|1,0,1]=4 2083 B11R1.17 O=C1CCCCC1CCCO Amb27481191 [1,0,0,1,0,0|1,0,0]=3 2084 B11R1.17 O=C1CCCCN1CCCCl Amb6751295 [1,0,0,1,0,0|2,0,0]=4 2085 B11R1.17 O=C1CCCCN1CCCO Amb9370460 [1,0,0,1,0,0|2,0,0]=4 2086 B11R1.17 O=C1CCOCC1CCCF Amb27640843 [1,0,0,1,0,0|2,0,0]=4 2087 B11R1.17 O=C1CCOCC1CCCO Amb28284744 [1,0,0,1,0,0|2,0,0]=4 2088 B11R1.17 O=C1NCCCC1CCCO Amb25978142 [1,0,0,1,0,0|2,0,0]=4 2089 B11R1.17 O=C1OCCCC1CCCI Amb27261546 [1,0,0,1,0,0|2,0,0]=4 2090 B11R1.17 O=CCCC1CCCCC1O Amb27166081 [1,0,0,1,0,0|1,0,0]=3 2091 B11R1.17 OCCCC1CCCCC1O Amb27170228 [1,0,0,1,0,0|1,0,1]=4 2092 B11R1.17 OCCC[C@@H]1CCCC[C@H]1O Amb27448760 [1,0,0,1,0,0|1,0,1]=4 2093 B11R1.18 C#CCCC1CCCC1C=O Amb27442997 [1,0,0,1,0,0|0,0,2]=4 2094 B11R1.18 C#CCC[C@@H]1CCC[C@H]1C=O Amb28143047 [1,0,0,1,0,0|0,0,2]=4 2095 B11R1.18 C=CC1CCCN1CCCC Amb25383205 [1,0,0,1,0,0|2,0,0]=4 2096 B11R1.18 C=CCCC1CCCC1NC Amb27271588 [1,0,0,1,0,0|2,0,0]=4 2097 B11R1.18 CCC1CCCN1CCCO Amb18179765 [1,0,0,1,0,0|1,0,1]=4 2098 B11R1.18 CCCCC1CCCC1CC Amb27674064 [1,0,0,1,0,0|1,0,1]=4 2099 B11R1.18 CCCCC1OCCC1CO Amb27987731 [1,0,0,1,0,0|1,0,1]=4 2100 B11R1.18 CCCCN1CCCC1CO Amb18799841 [1,0,0,1,0,0|1,0,1]=4 2101 B11R1.18 CCCCN1CCC[C@@H]1CO Amb27670885 [1,0,0,1,0,0|1,0,1]=4 2102 B11R1.18 CCCCN1CCC[C@H]1CO Amb27670884 [1,0,0,1,0,0|1,0,1]=4 2103 B11R1.18 CCCC[C@H]1OCC[C@@H]1C=O Amb24765269 [1,0,0,1,0,0|1,0,0]=3 2104 B11R1.18 CCCC[C@H]1OCC[C@H]1C=O Amb24765268 [1,0,0,1,0,0|1,0,0]=3 2105 B11R1.18 CCCNC1CCCC1CO Amb27269399 [1,0,0,1,0,0|1,0,1]=4 2106 B11R1.18 CCNCC1CCCC1CO Amb27271612 [1,0,0,1,0,0|1,0,1]=4 2107 B11R1.18 CC\C=C/[C@H]1CCC[C@H]1C=O Amb28122412 [1,0,0,1,0,0|0,0,2]=4 2108 B11R1.18 COC1CCCC1CCC=O Amb28079946 [1,0,0,1,0,0|1,0,0]=3 2109 B11R1.18 COC1CCCC1CCCO Amb28079932 [1,0,0,1,0,0|1,0,1]=4 2110 B11R1.18 COCCN1CCCC1C=O Amb23586304 [1,0,0,1,0,0|2,0,0]=4 2111 B11R1.18 OCCC[C@H]1CCC[C@H]1CO Amb27989722 [1,0,0,1,0,0|1,0,1]=4 2112 B11R1.26 C=C1CCCCCCC1CO Amb27765896 [1,0,0,1,0,0|2,0,0]=4 2113 B11R1.26 CCC1CCCCCCC1=O Amb28284886 [1,0,0,1,0,0|0,0,0]=2 2114 B11R1.26 CCC1CCCCCCC1O Amb28342347 [1,0,0,1,0,0|0,0,1]=3 2115 B11R1.26 CC[C@@H]1CCCCCC[C@H]1O Amb25931014 [1,0,0,1,0,0|0,0,1]=3 2116 B11R1.26 C\C=C1\CCCCCCC1=O Amb25967372 [1,0,0,1,0,0|0,0,2]=4 2117 B11R1.26 N#CC1CCCCCCC1=O Amb27954163 [1,0,0,1,0,0|1,0,1]=4 2118 B11R1.26 NC1CCCCCCC1CO Amb27798202 [1,0,0,1,0,0|1,0,1]=4 2119 B11R1.26 NCC1CCCCCCC1O Amb26386383 [1,0,0,1,0,0|1,0,1]=4 2120 B11R1.26 NCN1CCCCCCC1=O Amb28436920 [1,0,0,1,0,0|2,0,0]=4 2121 B11R1.26 O=C1CCCCCCN1CCl Amb8844104 [1,0,0,1,0,0|2,0,0]=4 2122 B11R1.26 O=C1CCCCCCN1CO Amb8844103 [1,0,0,1,0,0|2,0,0]=4 2123 B11R1.26 O=CC1CCCCCCC1=O Amb27863967 [1,0,0,1,0,0|1,0,1]=4 2124 B11R1.26 OCC1CCCCCCC1O Amb26612870 [1,0,0,1,0,0|1,0,1]=4 2125 B11R1.26 OC[C@H]1CCCCCC[C@@H]1O Amb28292208 [1,0,0,1,0,0|1,0,1]=4 2126 B11R1.28 BrCCCCC1CCCCC1 Amb21937167 [1,0,0,1,0,0|1,0,1]=4 2127 B11R1.28 BrCCCCC1CCCCO1 Amb32690655 [1,0,0,1,0,0|1,0,1]=4 2128 B11R1.28 C#CCCCC1CCCCC1 Amb24062905 [1,0,0,1,0,0|1,0,1]=4 2129 B11R1.28 C=CCCCC1CCCCC1 Amb24117204 [1,0,0,1,0,0|1,0,0]=3 2130 B11R1.28 C=CCCCC1CCCCN1 Amb27271589 [1,0,0,1,0,0|2,0,0]=4 2131 B11R1.28 C=CCCCN1CCCCC1 Amb27986500 [1,0,0,1,0,0|2,0,0]=4 2132 B11R1.28 C=CCCNC1CCCCC1 Amb10559348 [1,0,0,1,0,0|2,0,0]=4 2133 B11R1.28 C=CCNCC1CCCCC1 Amb6683817 [1,0,0,1,0,0|2,0,0]=4 2134 B11R1.28 CCCCCC1CCCCC1 Amb4035883 [1,0,0,1,0,0|1,0,1]=4 2135 B11R1.28 CCCCCC1CCCCN1 Amb35745661 [1,0,0,1,0,0|1,0,1]=4 2136 B11R1.28 CCCCCC1CCCCN1 Amb3788144 [1,0,0,1,0,0|1,0,1]=4 2137 B11R1.28 CCCCCC1CCCNC1 Amb22642855 [1,0,0,1,0,0|2,0,0]=4 2138 B11R1.28 CCCCCC1CCCNC1 Amb35745623 [1,0,0,1,0,0|2,0,0]=4 2139 B11R1.28 CCCCCC1CCOCO1 Amb27673274 [1,0,0,1,0,0|1,0,1]=4 2140 B11R1.28 CCCCOC1CCCCO1 Amb33856103 [1,0,0,1,0,0|1,0,1]=4 2141 B11R1.28 CCCNCC1CCC=CO1 Amb18183022 [1,0,0,1,0,0|1,0,1]=4 2142 B11R1.28 CCCNCC1CCCCO1 Amb9258727 [1,0,0,1,0,0|1,0,1]=4 2143 B11R1.28 CCNCCC1CCCCO1 Amb18312531 [1,0,0,1,0,0|1,0,1]=4 2144 B11R1.28 CNCCCC1CCCCC1 Amb8853671 [1,0,0,1,0,0|2,0,0]=4 2145 B11R1.28 CNCCCC1CCCCO1 Amb27266780 [1,0,0,1,0,0|1,0,1]=4 2146 B11R1.28 C[NH2+]CCCC1CCCCC1 Amb20648432 [1,0,0,1,0,0|2,0,0]=4 2147 B11R1.28 ClCCCCC1CCCCC1 Amb26076997 [1,0,0,1,0,0|1,0,1]=4 2148 B11R1.28 ClCCCCC1CCCCO1 Amb32690653 [1,0,0,1,0,0|1,0,1]=4 2149 B11R1.28 ICCCCC1CCCCC1 Amb32411024 [1,0,0,1,0,0|1,0,1]=4 2150 B11R1.28 N#CCCCC1CCCCC1 Amb4035890 [1,0,0,1,0,0|1,0,1]=4 2151 B11R1.28 NCCCCC1CCCCC1 Amb17570025 [1,0,0,1,0,0|1,0,1]=4 2152 B11R1.28 NCCCCC1CCCCO1 Amb33377397 [1,0,0,1,0,0|1,0,1]=4 2153 B11R1.28 NNCCCC1CCCCC1 Amb6248425 [1,0,0,1,0,0|2,0,0]=4 2154 B11R1.28 NOCCCC1CCCCC1 Amb33422787 [1,0,0,1,0,0|2,0,0]=4 2155 B11R1.28 O=C=NCCC1CCCCC1 Amb6272842 [1,0,0,1,0,0|1,0,1]=4 2156 B11R1.28 O=CCCC=C1CCCCC1 Amb27441049 [1,0,0,1,0,0|0,0,2]=4 2157 B11R1.28 O=CCCCC1CC=CCC1 Amb33375581 [1,0,0,1,0,0|0,0,2]=4 2158 B11R1.28 O=CCCCC1CCCCC1 Amb26998071 [1,0,0,1,0,0|0,0,0]=2 2159 B11R1.28 O=CCCCC1CCCCO1 Amb25385814 [1,0,0,1,0,0|1,0,0]=3 2160 B11R1.28 O=CCCCC1CCCOC1 Amb33323158 [1,0,0,1,0,0|1,0,0]=3 2161 B11R1.28 O=CCCCC1CCCSC1 Amb32726172 [1,0,0,1,0,0|1,0,0]=3 2162 B11R1.28 O=CCCCC1CCOCC1 Amb26076142 [1,0,0,1,0,0|1,0,0]=3 2163 B11R1.28 O=CCCCN1CCOCC1 Amb25385962 [1,0,0,1,0,0|2,0,0]=4 2164 B11R1.28 O=CCCOC1CCCOC1 Amb27673699 [1,0,0,1,0,0|2,0,0]=4 2165 B11R1.28 O=CCOCC1CCOCC1 Amb18797338 [1,0,0,1,0,0|2,0,0]=4 2166 B11R1.28 O=CNCCC1CCCCC1 Amb28293397 [1,0,0,1,0,0|1,0,0]=3 2167 B11R1.28 O=C\C=C\CC1CCCCC1 Amb33172261 [1,0,0,1,0,0|0,0,2]=4 2168 B11R1.28 OCCCCC1CCCCC1 Amb3939108 [1,0,0,1,0,0|0,0,1]=3 2169 B11R1.28 OCCCCC1CCCCN1 Amb22749320 [1,0,0,1,0,0|1,0,1]=4 2170 B11R1.28 OCCCCC1CCCCO1 Amb26658869 [1,0,0,1,0,0|1,0,1]=4 2171 B11R1.28 OCCCCC1CCCNC1 Amb22749319 [1,0,0,1,0,0|1,0,1]=4 2172 B11R1.28 OCCCCC1CCNCC1 Amb21858465 [1,0,0,1,0,0|1,0,1]=4 2173 B11R1.28 OCCCCC1CCNCC1 Amb21858466 [1,0,0,1,0,0|1,0,1]=4 2174 B11R1.28 OCCCCC1CCOCC1 Amb24750759 [1,0,0,1,0,0|1,0,1]=4 2175 B11R1.28 OCCCCN1CCCCC1 Amb3204765 [1,0,0,1,0,0|1,0,1]=4 2176 B11R1.28 OCCCNC1CCCCC1 Amb35750445 [1,0,0,1,0,0|1,0,1]=4 2177 B11R1.28 OCCCNC1CCCCC1 Amb6733735 [1,0,0,1,0,0|1,0,1]=4 2178 B11R1.28 OCCCOC1CCCCC1 Amb6893051 [1,0,0,1,0,0|1,0,1]=4 2179 B11R1.28 OCCCPC1CCCCC1 Amb27989607 [1,0,0,1,0,0|1,0,1]=4 2180 B11R1.28 OCCNCC1CCCCC1 Amb9203178 [1,0,0,1,0,0|1,0,1]=4 2181 B11R1.28 O\N=C\CCC1CCCCC1 Amb27442803 [1,0,0,1,0,0|1,0,1]=4 2182 B11R1.28 SCCCCC1CCCCC1 Amb33422122 [1,0,0,1,0,0|0,1,1]=4 2183 B11R1.28 [C-]#[N+]CCCC1CCCCC1 Amb26448941 [1,0,0,1,0,0|2,0,0]=4 2184 B11R1.41 C=CC1CCCCN1CCC Amb28453966 [1,0,0,1,0,0|2,0,0]=4 2185 B11R1.41 C=CCC1CCCCC1NC Amb18993613 [1,0,0,1,0,0|2,0,0]=4 2186 B11R1.41 C=COC1CCCCC1CC Amb27757966 [1,0,0,1,0,0|2,0,0]=4 2187 B11R1.41 C=C[C@@H]1CCCC[C@H]1CC=O Amb27447266 [1,0,0,1,0,0|0,0,2]=4 2188 B11R1.41 CCC1CCCCC1CCBr Amb28186141 [1,0,0,1,0,0|1,0,1]=4 2189 B11R1.41 CCC1CCCCC1CCO Amb28186835 [1,0,0,1,0,0|0,0,1]=3 2190 B11R1.41 CCC1CCCCC1N=C=O Amb28347996 [1,0,0,1,0,0|1,0,1]=4 2191 B11R1.41 CCC1CCCCC1OC=N Amb26009235 [1,0,0,1,0,0|2,0,0]=4 2192 B11R1.41 CCC1CCCCN1CC=O Amb18799608 [1,0,0,1,0,0|1,0,0]=3 2193 B11R1.41 CCC1CCCCN1CCO Amb9370238 [1,0,0,1,0,0|1,0,1]=4 2194 B11R1.41 CCC1COCCN1CC=O Amb18799791 [1,0,0,1,0,0|2,0,0]=4 2195 B11R1.41 CCCC1CCCCC1CN Amb26014918 [1,0,0,1,0,0|1,0,1]=4 2196 B11R1.41 CCCC1CCCCN1C=O Amb24523123 [1,0,0,1,0,0|1,0,0]=3 2197 B11R1.41 CCCC1CCCC\C1=N/O Amb25992585 [1,0,0,1,0,0|1,0,1]=4 2198 B11R1.41 CCCC1OCCCC1C=O Amb28132010 [1,0,0,1,0,0|1,0,0]=3 2199 B11R1.41 CCCN1CCCC[C@H]1CO Amb27604762 [1,0,0,1,0,0|1,0,1]=4 2200 B11R1.41 CCN1CCCCC1CC=O Amb27958566 [1,0,0,1,0,0|1,0,0]=3 2201 B11R1.41 CCN1CCCCC1CCO Amb18183195 [1,0,0,1,0,0|1,0,1]=4 2202 B11R1.41 CCSC1CCCCC1C=O Amb27431708 [1,0,0,1,0,0|1,0,0]=3 2203 B11R1.41 CC[C@@H]1CCCC[C@H]1CCO Amb28321391 [1,0,0,1,0,0|0,0,1]=3 2204 B11R1.41 CC[C@H]1CNCC[C@@H]1CCO Amb27482650 [1,0,0,1,0,0|1,0,1]=4 2205 B11R1.41 CNCC1CCCCC1CO Amb27640096 [1,0,0,1,0,0|1,0,1]=4 2206 B11R1.41 COC[C@@H]1CCCC[C@H]1CO Amb17939261 [1,0,0,1,0,0|1,0,1]=4 2207 B11R1.41 CO[C@@H]1CCCC[C@H]1CCO Amb27207783 [1,0,0,1,0,0|1,0,1]=4 2208 B11R1.41 C\C=C/[C@@H]1CCCC[C@H]1C=O Amb25956926 [1,0,0,1,0,0|0,0,2]=4 2209 B11R1.41 O=CCN1CCCCC1CO Amb18799800 [1,0,0,1,0,0|2,0,0]=4 2210 B11R1.41 O=CC[C@@H]1CCCC[C@@H]1C=O Amb28131369 [1,0,0,1,0,0|1,0,1]=4 2211 B11R1.41 O=CN1CCCCC1CCCl Amb26642972 [1,0,0,1,0,0|2,0,0]=4 2212 B11R1.41 O=CNC1CCCCC1CO Amb27235336 [1,0,0,1,0,0|2,0,0]=4 2213 B11R1.41 OCC1CCCCC1CCF Amb27958912 [1,0,0,1,0,0|1,0,1]=4 2214 B11R1.41 OCC[C@@H]1CCCC[C@H]1CO Amb28249036 [1,0,0,1,0,0|1,0,1]=4 2215 B11R1.47 OCCCCNCC1CCC1 Amb18182245 [1,0,0,1,0,0|1,0,1]=4 2216 B11R1.51 CCC1CCCCCC1C#N Amb35611345 [1,0,0,1,0,0|1,0,1]=4 2217 B11R1.51 CCC1CCCCCC1C=O Amb35725693 [1,0,0,1,0,0|0,0,0]=2 2218 B11R1.51 CCC1CCCCCC1CBr Amb35721286 [1,0,0,1,0,0|1,0,1]=4 2219 B11R1.51 CCC1CCCCCC1CCl Amb35721285 [1,0,0,1,0,0|1,0,1]=4 2220 B11R1.51 CCC1CCCCCC1CN Amb27977818 [1,0,0,1,0,0|1,0,1]=4 2221 B11R1.51 CCC1CCCCCC1CO Amb35672750 [1,0,0,1,0,0|0,0,1]=3 2222 B11R1.51 CCC1CCCCCC1NN Amb35734051 [1,0,0,1,0,0|2,0,0]=4 2223 B11R1.51 CCC1CCCCCC1NO Amb35725722 [1,0,0,1,0,0|1,0,0]=3 2224 B11R1.51 CCC1CCCCC\C1=N/O Amb35681163 [1,0,0,1,0,0|1,0,1]=4 2225 B11R1.51 CCN1CCCCCC1C=O Amb28135545 [1,0,0,1,0,0|1,0,0]=3 2226 B11R1.51 CCN1CCCCCC1CO Amb10817345 [1,0,0,1,0,0|1,0,1]=4 2227 B11R1.51 COC1CCCCCN1C=O Amb27488557 [1,0,0,1,0,0|2,0,0]=4 2228 B11R1.51 O=CN1CCCCCC1CO Amb26932888 [1,0,0,1,0,0|2,0,0]=4 2229 B11R1.51 OCC1CCCCCC1CCl Amb27875207 [1,0,0,1,0,0|1,0,1]=4 2230 B11R1.51 OC[C@H]1CCCCC[C@H]1CO Amb22356584 [1,0,0,1,0,0|1,0,1]=4 2231 B11R1.85 NC1CCCCCCNC1=O Amb27640572 [1,0,0,1,0,0|2,0,0]=4 2232 B11R1.92 C1CCCCCCCCCC1 Amb25060085 [1,0,0,1,0,0|1,0,1]=4 2233 B11R1.92 C1CCCCCNCCCC1 Amb27462141 [1,0,0,1,0,0|1,0,1]=4 2234 B11R1.109 C=CCC1CCCC1CC=O Amb27986653 [1,0,0,1,0,0|0,0,2]=4 2235 B11R1.109 CCCC1CCNC1CCO Amb32946581 [1,0,0,1,0,0|1,0,1]=4 2236 B11R1.109 CCCC1COCC1NC=O Amb35617215 [1,0,0,1,0,0|2,0,0]=4 2237 B11R1.109 CCCN1CCCC1CCO Amb27989578 [1,0,0,1,0,0|1,0,1]=4 2238 B11R1.109 CCNC1CCCC1CCO Amb27272356 [1,0,0,1,0,0|1,0,1]=4 2239 B11R1.109 O=CCN1CCCC1CCO Amb27987139 [1,0,0,1,0,0|2,0,0]=4 2240 B11R1.117 BrCCC1CCCCCCC1 Amb27231389 [1,0,0,1,0,0|1,0,1]=4 2241 B11R1.117 Br\C=C\C1CCCCCCC1 Amb33135178 [1,0,0,1,0,0|1,0,1]=4 2242 B11R1.117 C=CCN1CCCCCCC1 Amb27632227 [1,0,0,1,0,0|2,0,0]=4 2243 B11R1.117 CCCC1CCCCCCN1 Amb27400100 [1,0,0,1,0,0|1,0,1]=4 2244 B11R1.117 CNCC1C=CCCCCC1 Amb28206523 [1,0,0,1,0,0|2,0,0]=4 2245 B11R1.117 CNCC1CCCCCCC1 Amb19149347 [1,0,0,1,0,0|2,0,0]=4 2246 B11R1.117 ClCCC1CCCCCCC1 Amb27760938 [1,0,0,1,0,0|1,0,1]=4 2247 B11R1.117 N#CCC1CCCCCCC1 Amb25947499 [1,0,0,1,0,0|1,0,1]=4 2248 B11R1.117 NCCC1CCCCCCC1 Amb10607690 [1,0,0,1,0,0|1,0,1]=4 2249 B11R1.117 O=C=NC1CCCCCCC1 Amb22362664 [1,0,0,1,0,0|1,0,1]=4 2250 B11R1.117 OCCC1CCCCCCN1 Amb28135445 [1,0,0,1,0,0|1,0,1]=4 2251 B11R1.117 ONCC1CCCCCCC1 Amb28189794 [1,0,0,1,0,0|1,0,0]=3 2252 B11R1.180 C=CCCCC1CCCC1=O Amb27271584 [1,0,0,1,0,0|0,0,2]=4 2253 B11R1.180 C=CCCCC1CCCC1Br Amb27271586 [1,0,0,1,0,0|2,0,0]=4 2254 B11R1.180 C=CCCCC1CCCC1Cl Amb27271585 [1,0,0,1,0,0|2,0,0]=4 2255 B11R1.180 C=CCCCC1CCCC1N Amb27271587 [1,0,0,1,0,0|2,0,0]=4 2256 B11R1.180 C=CCCCC1CCCC1O Amb24762973 [1,0,0,1,0,0|2,0,0]=4 2257 B11R1.180 C=CCCCN1CCCC1C Amb28326413 [1,0,0,1,0,0|2,0,0]=4 2258 B11R1.180 C=CCCC[C@@H]1CCCC1=O Amb28080270 [1,0,0,1,0,0|0,0,2]=4 2259 B11R1.180 C=CCCC[C@@H]1CCC[C@@H]1O Amb27989516 [1,0,0,1,0,0|2,0,0]=4 2260 B11R1.180 C=CCCC[C@@H]1CCC[C@H]1O Amb26999456 [1,0,0,1,0,0|2,0,0]=4 2261 B11R1.180 C=CCCNC1CCCC1C Amb27266961 [1,0,0,1,0,0|2,0,0]=4 2262 B11R1.180 CC1CCCC1CCN=C=O Amb27964358 [1,0,0,1,0,0|1,0,1]=4 2263 B11R1.180 CC1CCCC1NCCCO Amb24750431 [1,0,0,1,0,0|1,0,1]=4 2264 B11R1.180 CC1OCCC1CCCC=O Amb33426812 [1,0,0,1,0,0|1,0,0]=3 2265 B11R1.180 CCC#CCC1CCCC1=O Amb27791342 [1,0,0,1,0,0|0,0,2]=4 2266 B11R1.180 CCCCCC1=CCCC1=O Amb533108 [1,0,0,1,0,0|0,0,2]=4 2267 B11R1.180 CCCCCC1C=CCC1=O Amb27672594 [1,0,0,1,0,0|0,0,2]=4 2268 B11R1.180 CCCCCC1CC=CC1=O Amb17843926 [1,0,0,1,0,0|0,0,2]=4 2269 B11R1.180 CCCCCC1CCCC1=O Amb534714 [1,0,0,1,0,0|0,0,0]=2 2270 B11R1.180 CCCCCC1CCCC1Br Amb27266930 [1,0,0,1,0,0|1,0,1]=4 2271 B11R1.180 CCCCCC1CCCC1O Amb18183110 [1,0,0,1,0,0|0,0,1]=3 2272 B11R1.180 CCCCCC1CCCN1C Amb27272323 [1,0,0,1,0,0|2,0,0]=4 2273 B11R1.180 CCCCCC1CNCC1O Amb32944704 [1,0,0,1,0,0|1,0,1]=4 2274 B11R1.180 CCCCCC1COCC1=O Amb27672690 [1,0,0,1,0,0|1,0,0]=3 2275 B11R1.180 CCCCCC1COCC1O Amb32945486 [1,0,0,1,0,0|1,0,1]=4 2276 B11R1.180 CCCCCC1OCCC1O Amb27673890 [1,0,0,1,0,0|1,0,1]=4 2277 B11R1.180 CCCCCN1CCCC1=O Amb20621968 [1,0,0,1,0,0|1,0,0]=3 2278 B11R1.180 CCCCCN1CCNC1=O Amb28386660 [1,0,0,1,0,0|2,0,0]=4 2279 B11R1.180 CCCCC[C@@H]1CCC[C@H]1O Amb26659964 [1,0,0,1,0,0|0,0,1]=3 2280 B11R1.180 CCCCC[C@@H]1CNC[C@H]1O Amb32945391 [1,0,0,1,0,0|1,0,1]=4 2281 B11R1.180 CCCCC[C@@H]1COC[C@H]1O Amb32945059 [1,0,0,1,0,0|1,0,1]=4 2282 B11R1.180 CCCCC[C@@H]1OCC[C@H]1O Amb27989725 [1,0,0,1,0,0|1,0,1]=4 2283 B11R1.180 CCCCNC1CCCC1O Amb18303638 [1,0,0,1,0,0|1,0,1]=4 2284 B11R1.180 CCCCN[C@@H]1CCC[C@H]1O Amb27266974 [1,0,0,1,0,0|1,0,1]=4 2285 B11R1.180 CCCCN[C@H]1CCC[C@@H]1O Amb27988011 [1,0,0,1,0,0|1,0,1]=4 2286 B11R1.180 CCCCOC1CCCC1O Amb18799957 [1,0,0,1,0,0|1,0,1]=4 2287 B11R1.180 CCCCOC1OCCC1=O Amb27673554 [1,0,0,1,0,0|2,0,0]=4 2288 B11R1.180 CCCC\C=C1\CCCC1=O Amb533060 [1,0,0,1,0,0|0,0,2]=4 2289 B11R1.180 CCCNCC1CCCC1O Amb27271525 [1,0,0,1,0,0|1,0,1]=4 2290 B11R1.180 CCCOCC1CCCC1=O Amb27987801 [1,0,0,1,0,0|1,0,0]=3 2291 B11R1.180 CCCOCC1CCCC1O Amb27987798 [1,0,0,1,0,0|1,0,1]=4 2292 B11R1.180 CCCOC[C@@H]1CCC[C@H]1O Amb32944526 [1,0,0,1,0,0|1,0,1]=4 2293 B11R1.180 CCNCCC1CCNC1=O Amb27674171 [1,0,0,1,0,0|2,0,0]=4 2294 B11R1.180 CCOCCC1CCCC1O Amb18183285 [1,0,0,1,0,0|1,0,1]=4 2295 B11R1.180 CCSCCC1CCCC1=O Amb27269774 [1,0,0,1,0,0|1,0,0]=3 2296 B11R1.180 CCSCCC1CCCC1O Amb27986369 [1,0,0,1,0,0|1,0,1]=4 2297 B11R1.180 CCSCCC1CSCC1=O Amb27271770 [1,0,0,1,0,0|2,0,0]=4 2298 B11R1.180 CC\C=C/CC1CCCC1=O Amb27272751 [1,0,0,1,0,0|0,0,2]=4 2299 B11R1.180 CC\C=C\CC1CCCC1=O Amb26923884 [1,0,0,1,0,0|0,0,2]=4 2300 B11R1.180 CN1CCCC1CCCC=O Amb33320340 [1,0,0,1,0,0|1,0,0]=3 2301 B11R1.180 CN1CCCC1CCCCO Amb24750381 [1,0,0,1,0,0|1,0,1]=4 2302 B11R1.180 CN1CCCC1CCNC=O Amb35682237 [1,0,0,1,0,0|2,0,0]=4 2303 B11R1.180 CNCCCN1CCCC1=O Amb19015452 [1,0,0,1,0,0|2,0,0]=4 2304 B11R1.180 COCCCC1CCCC1O Amb18183284 [1,0,0,1,0,0|1,0,1]=4 2305 B11R1.180 COCCCN1CCCC1=O Amb24064201 [1,0,0,1,0,0|2,0,0]=4 2306 B11R1.180 COCCC[C@@H]1CCC[C@H]1O Amb32945571 [1,0,0,1,0,0|1,0,1]=4 2307 B11R1.180 CSCCCC1CCCC1O Amb27986370 [1,0,0,1,0,0|1,0,1]=4 2308 B11R1.180 CSCCCC1CSCC1=O Amb27271771 [1,0,0,1,0,0|2,0,0]=4 2309 B11R1.180 CSCCSC1CCCC1=O Amb28079899 [1,0,0,1,0,0|2,0,0]=4 2310 B11R1.180 N#CCCCC1CCCC1=O Amb25717939 [1,0,0,1,0,0|1,0,1]=4 2311 B11R1.180 NCCCCN1CCCC1=O Amb6244615 [1,0,0,1,0,0|2,0,0]=4 2312 B11R1.180 O=C1CCCC1CCCCBr Amb27672177 [1,0,0,1,0,0|1,0,0]=3 2313 B11R1.180 O=C1CCCC1CCCCF Amb27267015 [1,0,0,1,0,0|1,0,0]=3 2314 B11R1.180 O=C1CCCC1CCCCO Amb27986534 [1,0,0,1,0,0|1,0,0]=3 2315 B11R1.180 O=C1CCCC1SCCCO Amb27271109 [1,0,0,1,0,0|2,0,0]=4 2316 B11R1.180 O=C1CCCN1CCCCBr Amb33545934 [1,0,0,1,0,0|2,0,0]=4 2317 B11R1.180 O=C1CCCN1CCCCCl Amb18184015 [1,0,0,1,0,0|2,0,0]=4 2318 B11R1.180 O=C1CSCC1CCCCF Amb27267016 [1,0,0,1,0,0|2,0,0]=4 2319 B11R1.180 O=C1OCCC1CCCCO Amb27989920 [1,0,0,1,0,0|2,0,0]=4 2320 B11R1.180 OCCCCC1CCCC1O Amb28080690 [1,0,0,1,0,0|1,0,1]=4 2321 B11R1.181 CCC1CCC1CNCCO Amb32419822 [1,0,0,1,0,0|1,0,1]=4 2322 B11R1.190 CC1CCC1CNCCCO Amb32420109 [1,0,0,1,0,0|1,0,1]=4 2323 B11R1.190 CCCCC\C=C1/CCC1=O Amb28080152 [1,0,0,1,0,0|0,0,2]=4 2324 B11R1.203 BrCCCC1CCCCCC1 Amb25836156 [1,0,0,1,0,0|1,0,1]=4 2325 B11R1.203 C#CCCC1CCCCCC1 Amb32882184 [1,0,0,1,0,0|1,0,1]=4 2326 B11R1.203 C=CCCC1CCCCCC1 Amb29865043 [1,0,0,1,0,0|1,0,0]=3 2327 B11R1.203 C=CCNC1CCCCCC1 Amb6683795 [1,0,0,1,0,0|2,0,0]=4 2328 B11R1.203 CCCCC1CCNCCO1 Amb32679926 [1,0,0,1,0,0|1,0,1]=4 2329 B11R1.203 CNCCC1CCCCCC1 Amb26457524 [1,0,0,1,0,0|2,0,0]=4 2330 B11R1.203 N#CCCC1CCCCCC1 Amb26050765 [1,0,0,1,0,0|1,0,1]=4 2331 B11R1.203 NCCCC1CCCCCC1 Amb25113900 [1,0,0,1,0,0|1,0,1]=4 2332 B11R1.203 NOCCC1CCCCCC1 Amb33267300 [1,0,0,1,0,0|2,0,0]=4 2333 B11R1.203 O=C=NCC1CCCCCC1 Amb27847742 [1,0,0,1,0,0|1,0,1]=4 2334 B11R1.203 O=CCCC1C=CCCCC1 Amb27176435 [1,0,0,1,0,0|0,0,2]=4 2335 B11R1.203 O=CCCC1CCCCCC1 Amb26946978 [1,0,0,1,0,0|0,0,0]=2 2336 B11R1.203 O=CCCN1CCCOCC1 Amb18177532 [1,0,0,1,0,0|2,0,0]=4 2337 B11R1.203 O=CCOC1CCCCCC1 Amb18183074 [1,0,0,1,0,0|1,0,0]=3 2338 B11R1.203 O=CNCC1CCCCCC1 Amb28193191 [1,0,0,1,0,0|1,0,0]=3 2339 B11R1.203 O=CNCC1CCCSCC1 Amb35637603 [1,0,0,1,0,0|2,0,0]=4 2340 B11R1.203 O=C\C=C\C1CCCCCC1 Amb33079648 [1,0,0,1,0,0|0,0,2]=4 2341 B11R1.203 OCCCC1CCCCCC1 Amb26928808 [1,0,0,1,0,0|0,0,1]=3 2342 B11R1.203 OCCCC1CCCCCN1 Amb18199937 [1,0,0,1,0,0|1,0,1]=4 2343 B11R1.203 OCCCC1CCCCCO1 Amb27218605 [1,0,0,1,0,0|1,0,1]=4 2344 B11R1.203 OCCCC1CCCCNC1 Amb27241624 [1,0,0,1,0,0|1,0,1]=4 2345 B11R1.203 OCCCC1CCCNCC1 Amb23453247 [1,0,0,1,0,0|1,0,1]=4 2346 B11R1.203 OCCCN1CCCCCC1 Amb31188130 [1,0,0,1,0,0|1,0,1]=4 2347 B11R1.203 OCCCN1CCCCCC1 Amb8503314 [1,0,0,1,0,0|1,0,1]=4 2348 B11R1.203 OCCC[C@H]1C=CCCCC1 Amb27662385 [1,0,0,1,0,0|2,0,0]=4 2349 B11R1.203 OCCNC1CCCCCC1 Amb28960309 [1,0,0,1,0,0|1,0,1]=4 2350 B11R1.203 OCCNC1CCCCCC1 Amb9203172 [1,0,0,1,0,0|1,0,1]=4 2351 B11R1.203 OCCOC1CCCCCC1 Amb18799958 [1,0,0,1,0,0|1,0,1]=4 2352 B11R1.203 OCCSC1CCCCCC1 Amb28401295 [1,0,0,1,0,0|1,0,1]=4 2353 B11R1.203 SCCCC1CCCCCC1 Amb32881853 [1,0,0,1,0,0|0,1,1]=4 2354 B11R1.203 [C-]#[N+]CCC1CCCCCC1 Amb28071396 [1,0,0,1,0,0|2,0,0]=4 2355 B11R1.229 CCCCC#CC1CC1C=O Amb25725911 [1,0,0,1,0,0|0,0,2]=4 2356 B11R1.229 CCCCC#C[C@@H]1C[C@@H]1C=O Amb27629609 [1,0,0,1,0,0|0,0,2]=4 2357 B11R1.248 C=CC1CCCCNCCC1 Amb27635206 [1,0,0,1,0,0|2,0,0]=4 2358 B11R1.248 NCC1CCCCCCCC1 Amb27645281 [1,0,0,1,0,0|1,0,1]=4 2359 B11R1.248 O=CC1=CCCCCCCC1 Amb25172766 [1,0,0,1,0,0|0,0,2]=4 2360 B11R1.248 O=CC1CCCCCCCC1 Amb27215402 [1,0,0,1,0,0|0,0,0]=2 2361 B11R1.248 O=NN1CCCCCCCC1 Amb27605593 [1,0,0,1,0,0|2,0,0]=4 2362 B11R1.248 OCC1CCCCCCCN1 Amb27463499 [1,0,0,1,0,0|1,0,1]=4 2363 B13R1.55 C\C=C\CCC1CC(O)CC(=O)O1 Amb27179772 [0,1,0,1,0,0|0,0,2]=4 2364 B13R1.55 C\C=C\CC[C@H]1C[C@H](O)CC(=O)O1 Amb27208246 [0,1,0,1,0,0|0,0,2]=4 2365 B13R1.88 CCC1CCCCC1(N)CC(=O)O Amb24415698 [0,1,0,1,0,0|0,0,0]=2 2366 B13R1.88 CCC1CCCCC1(N)CC(N)=O Amb32787664 [0,1,0,1,0,0|1,0,0]=3 2367 B13R1.88 COC1CCCCC1(N)CC(=O)O Amb25141215 [0,1,0,1,0,0|1,0,0]=3 2368 B13R1.88 COC1CCCCC1(N)CC(N)=O Amb33254189 [0,1,0,1,0,0|2,0,0]=4 2369 B13R1.88 COC1COCCC1(N)CC(=O)O Amb25171984 [0,1,0,1,0,0|2,0,0]=4 2370 B13R1.190 CCCCC#C[C@@H]1OC(=O)C[C@@H]1O Amb28350317 [0,1,0,1,0,0|0,0,2]=4 2371 B13R1.190 CCCCCCC1OC(=O)CC1C Amb22001856 [0,1,0,1,0,0|0,0,0]=2 2372 B13R1.201 C=C(C)CC(N)C1CCCCC1C Amb27859270 [0,1,0,1,0,0|2,0,0]=4 2373 B13R1.201 CC(=O)CC(C)N1CCCCC1C Amb28243499 [0,1,0,1,0,0|2,0,0]=4 2374 B13R1.201 CC(=O)CC(O)C1CCCCC1C Amb27764836 [0,1,0,1,0,0|1,0,0]=3 2375 B13R1.201 CC(CC(=O)O)C1CCCCC1O Amb28076696 [0,1,0,1,0,0|1,0,0]=3 2376 B13R1.201 CC(CC(=O)O)C1CCCCN1C Amb33323480 [0,1,0,1,0,0|1,0,0]=3 2377 B13R1.201 CC1=C(C(C)CC(=O)O)CCCC1 Amb27608589 [0,1,0,1,0,0|0,0,2]=4 2378 B13R1.201 CC1CCCCC1C(N)CC(=O)O Amb27983852 [0,1,0,1,0,0|0,0,0]=2 2379 B13R1.201 CC1CCCCC1C(N)CC(N)=O Amb26547592 [0,1,0,1,0,0|1,0,0]=3 2380 B13R1.201 CC1CCCCC1[C@@H](N)CC(=O)O Amb26537480 [0,1,0,1,0,0|0,0,0]=2 2381 B13R1.201 CC1CCCCC1[C@@H](N)CC(N)=O Amb28193965 [0,1,0,1,0,0|1,0,0]=3 2382 B13R1.201 CC1CCCCC1[C@H](N)CC(=O)O Amb26451779 [0,1,0,1,0,0|0,0,0]=2 2383 B13R1.201 CC1CCCCC1[C@H](N)CC(N)=O Amb26537449 [0,1,0,1,0,0|1,0,0]=3 2384 B13R1.201 CC1CCCCN1C(=O)CC(=O)O Amb18284943 [0,1,0,1,0,0|1,0,1]=4 2385 B13R1.201 CC1CCCCN1C(C)CC(=O)O Amb9399111 [0,1,0,1,0,0|1,0,0]=3 2386 B13R1.201 CN(CC(=O)O)C1CCCCC1O Amb18289472 [0,1,0,1,0,0|2,0,0]=4 2387 B13R1.201 CN1CCCCC1C(N)CC(=O)O Amb33323485 [0,1,0,1,0,0|1,0,0]=3 2388 B13R1.201 CN1CCCCC1C(O)CC(=O)O Amb33322748 [0,1,0,1,0,0|1,0,0]=3 2389 B13R1.201 CN1CCCCC1[C@@H](O)CC(=O)O Amb33322747 [0,1,0,1,0,0|1,0,0]=3 2390 B13R1.201 CN1CCCCC1[C@H](O)CC(=O)O Amb33223887 [0,1,0,1,0,0|1,0,0]=3 2391 B13R1.201 C[C@H](CC(=O)O)C1CCCCC1=O Amb27475546 [0,1,0,1,0,0|1,0,1]=4 2392 B13R1.282 CC(CC(=O)O)CC1CCCN1C Amb33321416 [0,1,0,1,0,0|1,0,0]=3 2393 B13R1.282 CC1CCCC1NC(=O)CC(=O)O Amb28317866 [0,1,0,1,0,0|1,0,1]=4 2394 B13R1.282 CN1CCCC1CC(N)CC(=O)O Amb33321429 [0,1,0,1,0,0|1,0,0]=3 2395 B13R1.282 CN1CCCC1CC(O)CC(=O)O Amb33320748 [0,1,0,1,0,0|1,0,0]=3 2396 B13R1.282 CN1CCCC1C[C@@H](O)CC(=O)O Amb33320747 [0,1,0,1,0,0|1,0,0]=3 2397 B13R1.282 CN1CCCC1C[C@H](O)CC(=O)O Amb33223668 [0,1,0,1,0,0|1,0,0]=3 2398 B13R1.289 CC1CCCCCCCCC(=O)N1 Amb28365005 [0,1,0,1,0,0|1,0,0]=3 2399 B13R1.348 CC(=O)CC(C)SC1CCCCC1 Amb32670934 [0,1,0,1,0,0|2,0,0]=4 2400 B13R1.348 CC(=O)NC(C)CC1CCCCC1 Amb27408553 [0,1,0,1,0,0|2,0,0]=4 2401 B13R1.348 CC(CC(=O)O)CC1CCCCC1 Amb32953558 [0,1,0,1,0,0|0,0,0]=2 2402 B13R1.348 CC(CC(=O)O)NC1CCCCC1 Amb9398387 [0,1,0,1,0,0|1,0,0]=3 2403 B13R1.348 CC(CC(N)=O)NC1CCCCC1 Amb17234100 [0,1,0,1,0,0|2,0,0]=4 2404 B13R1.348 CC(CC1CCCCC1)NC(=O)Cl Amb35633523 [0,1,0,1,0,0|2,0,0]=4 2405 B13R1.348 CC(CC1CCCCC1)NC(N)=O Amb35742464 [0,1,0,1,0,0|2,0,0]=4 2406 B13R1.348 C[C@@H](CC1CCCCC1)NC(N)=O Amb28350849 [0,1,0,1,0,0|2,0,0]=4 2407 B13R1.348 C\C(=C/C(=O)O)CC1CCCCC1 Amb35662608 [0,1,0,1,0,0|0,0,2]=4 2408 B13R1.348 NC(=O)CC(N)CC1CCCCC1 Amb33255910 [0,1,0,1,0,0|1,0,0]=3 2409 B13R1.348 NC(CC(=O)O)CC1CCCCC1 Amb18822383 [0,1,0,1,0,0|0,0,0]=2 2410 B13R1.348 N[C@@H](CC(=O)O)CC1CCCCC1 Amb32757665 [0,1,0,1,0,0|0,0,0]=2 2411 B13R1.348 N[C@@H](CC(=O)O)CC1CCCCC1 Amb33038389 [0,1,0,1,0,0|0,0,0]=2 2412 B13R1.348 N[C@H](CC(=O)O)CC1CCCCC1 Amb33456114 [0,1,0,1,0,0|0,0,0]=2 2413 B13R1.348 N[C@H](CC(=O)O)CC1CCCCC1 Amb33457558 [0,1,0,1,0,0|0,0,0]=2 2414 B13R1.348 O=C(O)CC(=O)NC1CCCCC1 Amb17401050 [0,1,0,1,0,0|1,0,1]=4 2415 B13R1.348 O=C(O)CC(O)CC1CCCCC1 Amb33474067 [0,1,0,1,0,0|0,0,0]=2 2416 B13R1.348 O=C(O)C[C@@H](O)CC1CCCCC1 Amb33429766 [0,1,0,1,0,0|0,0,0]=2 2417 B13R1.348 O=C(O)C[C@H](O)CC1CCCCC1 Amb33224869 [0,1,0,1,0,0|0,0,0]=2 2418 B13R1.373 CCCN1CCCC(CC(=O)O)C1 Amb19027573 [0,1,0,1,0,0|1,0,0]=3 2419 B13R1.373 COCC1CCCN(CC(=O)O)C1 Amb21865579 [0,1,0,1,0,0|2,0,0]=4 2420 B13R1.373 COCC1CCCN(CC(=O)O)C1 Amb29847900 [0,1,0,1,0,0|2,0,0]=4 2421 B13R1.390 CCCC1COCC1(N)CC(=O)O Amb33308317 [0,1,0,1,0,0|1,0,0]=3 2422 B13R1.390 CCCC1COCC1(N)CC(N)=O Amb33255348 [0,1,0,1,0,0|2,0,0]=4 2423 B13R1.498 CSCCC1NC(CC(=O)O)CS1 Amb32990270 [0,1,0,1,0,0|2,0,0]=4 2424 B13R1.593 CC(CC(=O)O)NCC1CCCO1 Amb9398646 [0,1,0,1,0,0|2,0,0]=4 2425 B13R1.593 CC(CCC1CCCC1)CC(=O)O Amb33172403 [0,1,0,1,0,0|0,0,0]=2 2426 B13R1.593 CC(CCN1CCCC1)CC(=O)O Amb33448123 [0,1,0,1,0,0|1,0,0]=3 2427 B13R1.593 C[C@@H](CCC1OCCO1)CC(=O)O Amb27179346 [0,1,0,1,0,0|2,0,0]=4 2428 B13R1.593 NC(CCC1CCCC1)CC(=O)O Amb33481442 [0,1,0,1,0,0|0,0,0]=2 2429 B13R1.593 NC(CCN1CCCC1)CC(=O)O Amb33448127 [0,1,0,1,0,0|1,0,0]=3 2430 B13R1.593 O=C(O)CC(O)CCC1CCCC1 Amb33374559 [0,1,0,1,0,0|0,0,0]=2 2431 B13R1.593 O=C(O)CC(O)CCN1CCCC1 Amb33275231 [0,1,0,1,0,0|1,0,0]=3 2432 B13R1.593 O=C(O)C[C@@H](O)CCC1CCCC1 Amb33374558 [0,1,0,1,0,0|0,0,0]=2 2433 B13R1.593 O=C(O)C[C@@H](O)CCN1CCCC1 Amb33275230 [0,1,0,1,0,0|1,0,0]=3 2434 B13R1.593 O=C(O)C[C@H](O)CCC1CCCC1 Amb33481206 [0,1,0,1,0,0|0,0,0]=2 2435 B13R1.593 O=C(O)C[C@H](O)CCN1CCCC1 Amb33225882 [0,1,0,1,0,0|1,0,0]=3 2436 B13R1.775 CC1CC(O)CC=CCCC(=O)O1 Amb28281832 [0,1,0,1,0,0|0,0,2]=4 2437 B13R1.775 C[C@@H]1CCCC=C[C@@H](O)CC(=O)O1 Amb27775460 [0,1,0,1,0,0|0,0,2]=4 2438 B13R1.775 C[C@H]1CCCC=CC(O)CC(=O)O1 Amb28188202 [0,1,0,1,0,0|0,0,2]=4 2439 B13R1.775 C[C@H]1CCCC=C[C@H](O)CC(=O)O1 Amb27493513 [0,1,0,1,0,0|0,0,2]=4 2440 B13R1.775 C[C@H]1CCCCC[C@H](O)CC(=O)O1 Amb27467919 [0,1,0,1,0,0|0,0,0]=2 2441 B13R1.1107 CC(=O)CN1CCCCCCCC1 Amb27596192 [0,1,0,1,0,0|1,0,0]=3 2442 B13R1.1107 N=C(N)CN1CCCCCCCC1 Amb27669483 [0,1,0,1,0,0|2,0,0]=4 2443 B13R1.1107 NC(=O)CN1CCCCCCCC1 Amb28254750 [0,1,0,1,0,0|1,0,0]=3 2444 B13R1.1107 O=C(O)CC1=CCCCCCCC1 Amb28324566 [0,1,0,1,0,0|0,0,1]=3 2445 B13R1.1107 O=C(O)CN1CCNCCNCC1 Amb21953270 [0,1,0,1,0,0|2,0,0]=4 2446 B13R1.2020 C=C(C)CC1(N)CCCCCCC1 Amb30030521 [0,1,0,1,0,0|2,0,0]=4 2447 B13R1.2020 CC(=O)CC1(O)CCCCCCC1 Amb32943767 [0,1,0,1,0,0|1,0,0]=3 2448 B13R1.2020 CC(O)CC1(N)CCCCCCC1 Amb30030844 [0,1,0,1,0,0|1,0,1]=4 2449 B13R1.2020 NC(=O)CC1(N)CCCCCCC1 Amb32787700 [0,1,0,1,0,0|1,0,0]=3 2450 B13R1.2020 NC1(CC(=O)O)CCCCCCC1 Amb22641941 [0,1,0,1,0,0|0,0,0]=2 2451 B13R1.2020 NC1(CC(=O)O)CCCCCCC1 Amb31307619 [0,1,0,1,0,0|0,0,0]=2 2452 B13R1.2897 CCCN1CCCC(C)C1C(=O)O Amb27603812 [0,1,0,1,0,0|1,0,0]=3 2453 B13R1.3051 O=C(O)CN1CCCCC(CO)C1 Amb27396547 [0,1,0,1,0,0|2,0,0]=4 2454 B13R1.3765 CC1(CC(=O)O)CCCCCC1=O Amb27400372 [0,1,0,1,0,0|1,0,1]=4 2455 B13R1.3765 CC1CCCCCC1(N)CC(=O)O Amb33255481 [0,1,0,1,0,0|0,0,0]=2 2456 B13R1.3765 CC1CCCCCC1(N)CC(N)=O Amb33255409 [0,1,0,1,0,0|1,0,0]=3 2457 B13R1.3765 CC1CCCCCC1(O)CC(=O)O Amb35718034 [0,1,0,1,0,0|0,0,0]=2 2458 B13R1.3816 N[C@H]1CCCCCCC=C1C(=O)O Amb27863463 [0,1,0,1,0,0|0,0,2]=4 2459 B13R1.3816 O=C(O)C1=CCCCCCCC1O Amb28119812 [0,1,0,1,0,0|0,0,2]=4 2460 B13R1.7456 CC(=O)CC(O)C1CCCCCC1 Amb27980460 [0,1,0,1,0,0|1,0,0]=3 2461 B13R1.7456 CC(=O)N[C@@H](C)C1CCCCCC1 Amb27609226 [0,1,0,1,0,0|2,0,0]=4 2462 B13R1.7456 CC(=O)OC(C)C1CCCCCC1 Amb27833463 [0,1,0,1,0,0|2,0,0]=4 2463 B13R1.7456 CC(CC(=O)O)C1CCCCCC1 Amb18191560 [0,1,0,1,0,0|0,0,0]=2 2464 B13R1.7456 CC(CC(=O)O)C1CCCNCC1 Amb18822380 [0,1,0,1,0,0|1,0,0]=3 2465 B13R1.7456 CC(CC(=O)O)N1CCCCCC1 Amb13949208 [0,1,0,1,0,0|1,0,0]=3 2466 B13R1.7456 CC(CC(=O)O)N1CCCCCC1 Amb9399146 [0,1,0,1,0,0|1,0,0]=3 2467 B13R1.7456 CC(CC(N)=O)N1CCCCCC1 Amb17234102 [0,1,0,1,0,0|2,0,0]=4 2468 B13R1.7456 CC(O)CC(N)C1CCCCCC1 Amb35593168 [0,1,0,1,0,0|1,0,1]=4 2469 B13R1.7456 CN(CC(=O)O)C1CCCCCC1 Amb9266116 [0,1,0,1,0,0|1,0,0]=3 2470 B13R1.7456 CN(CC(=O)O)C1CCCOCC1 Amb28207498 [0,1,0,1,0,0|2,0,0]=4 2471 B13R1.7456 CN(CC(=O)O)C1CCCSCC1 Amb35700458 [0,1,0,1,0,0|2,0,0]=4 2472 B13R1.7456 NC(=O)CC(N)C1CCCCCC1 Amb25851902 [0,1,0,1,0,0|1,0,0]=3 2473 B13R1.7456 NC(=O)C[C@@H](N)C1CCCCCC1 Amb24629675 [0,1,0,1,0,0|1,0,0]=3 2474 B13R1.7456 NC(=O)C[C@H](N)C1CCCCCC1 Amb24377514 [0,1,0,1,0,0|1,0,0]=3 2475 B13R1.7456 NC(CC(=O)O)C1CCCCCC1 Amb28243685 [0,1,0,1,0,0|0,0,0]=2 2476 B13R1.7456 NC(CC(=O)O)C1CCCCCC1 Amb33184712 [0,1,0,1,0,0|0,0,0]=2 2477 B13R1.7456 N[C@@H](CC(=O)O)C1CCCCCC1 Amb26037948 [0,1,0,1,0,0|0,0,0]=2 2478 B13R1.7456 N[C@H](CC(=O)O)C1CCCCCC1 Amb25266526 [0,1,0,1,0,0|0,0,0]=2 2479 B13R1.7456 O=C(O)CC(=O)N1CCCCCC1 Amb17401052 [0,1,0,1,0,0|1,0,1]=4 2480 B13R1.7456 O=C(O)CC(O)C1CCCCCC1 Amb33171812 [0,1,0,1,0,0|0,0,0]=2 2481 B13R1.7456 O=C(O)C[C@@H](O)C1CCCCCC1 Amb33267304 [0,1,0,1,0,0|0,0,0]=2 2482 B13R1.7456 O=C(O)C[C@H](O)C1CCCCCC1 Amb33267305 [0,1,0,1,0,0|0,0,0]=2 2483 B13R1.51 CC[C@@H]1NC(=O)CC[C@H]1CC(=O)O Amb18191381 [0,1,0,1,0,0|1,0,1]=4 2484 B13R1.51 COC1CC(C)CCC1CC(=O)O Amb18822014 [0,1,0,1,0,0|1,0,0]=3 2485 B13R1.51 COC1CN(C)CCC1CC(=O)O Amb18191132 [0,1,0,1,0,0|2,0,0]=4 2486 B13R1.51 C[C@@H]1CCN(CC(=O)O)[C@H](CN)C1 Amb35723469 [0,1,0,1,0,0|2,0,0]=4 2487 B13R1.128 CC(C)CCNCC1CCC(=O)N1 Amb33230933 [0,1,0,1,0,0|2,0,0]=4 2488 B13R1.128 CC1CCC(CCCCC(=O)O)C1 Amb33229248 [0,1,0,1,0,0|0,0,0]=2 2489 B13R1.158 CC(=O)NCCC1CCCCC1O Amb33229060 [0,1,0,1,0,0|2,0,0]=4 2490 B13R1.158 CC(=O)NCCC1NCCCC1C Amb35731467 [0,1,0,1,0,0|2,0,0]=4 2491 B13R1.158 CC(=O)NCCN1CCCCC1C Amb27605089 [0,1,0,1,0,0|2,0,0]=4 2492 B13R1.158 CC(O)CCNC1CCCCC1C Amb33455962 [0,1,0,1,0,0|1,0,1]=4 2493 B13R1.158 CC1CC=CCC1COCC(=O)O Amb9208701 [0,1,0,1,0,0|0,0,2]=4 2494 B13R1.158 CC1CCCCC1NCCC(=O)O Amb7755666 [0,1,0,1,0,0|0,0,0]=2 2495 B13R1.158 CC1CCCCC1NCCC(N)=S Amb17315343 [0,1,0,1,0,0|1,1,0]=4 2496 B13R1.158 CC1CCCCN1CCCC(=O)O Amb5761440 [0,1,0,1,0,0|0,0,0]=2 2497 B13R1.158 CC1CCCNC1CCNC(N)=O Amb35716590 [0,1,0,1,0,0|2,0,0]=4 2498 B13R1.158 CN1CCCCC1CCCC(=O)O Amb33322459 [0,1,0,1,0,0|0,0,0]=2 2499 B13R1.158 CN1CCCCC1CNCC(=O)O Amb18313080 [0,1,0,1,0,0|1,0,0]=3 2500 B13R1.158 CN1CCCCC1COCC(=O)O Amb8010336 [0,1,0,1,0,0|1,0,0]=3 2501 B13R1.158 O=C(O)CCCC1CCCCC1=O Amb17594755 [0,1,0,1,0,0|0,0,1]=3 2502 B13R1.158 O=C(O)CCCN1CCCCC1=O Amb6751285 [0,1,0,1,0,0|1,0,1]=4 2503 B13R1.337 CC(=O)CCCCN1CCOCC1 Amb9659035 [0,1,0,1,0,0|2,0,0]=4 2504 B13R1.337 CC(O)CCNCC1CCCCC1 Amb33455991 [0,1,0,1,0,0|1,0,1]=4 2505 B13R1.337 NC(=O)CNCCC1CCCCC1 Amb13952496 [0,1,0,1,0,0|1,0,0]=3 2506 B13R1.337 O=C(O)C#CCCC1CCCCC1 Amb27947677 [0,1,0,1,0,0|0,0,1]=3 2507 B13R1.337 O=C(O)CCCCC1CCCCC1 Amb22336378 [0,1,0,1,0,0|0,0,0]=2 2508 B13R1.337 O=C(O)CCCCC1CCCCN1 Amb32430376 [0,1,0,1,0,0|0,0,0]=2 2509 B13R1.337 O=C(O)CCCCC1CCCOC1 Amb33229244 [0,1,0,1,0,0|0,0,0]=2 2510 B13R1.337 O=C(O)CCCCC1CCOCC1 Amb33229243 [0,1,0,1,0,0|0,0,0]=2 2511 B13R1.337 O=C(O)CCCCN1CCCCC1 Amb19373622 [0,1,0,1,0,0|0,0,0]=2 2512 B13R1.337 O=C(O)CCCCN1CCNCC1 Amb17479004 [0,1,0,1,0,0|1,0,0]=3 2513 B13R1.337 O=C(O)CCCCN1CCOCC1 Amb32956216 [0,1,0,1,0,0|1,0,0]=3 2514 B13R1.337 O=C(O)CCCCN1CCOCC1 Amb7783149 [0,1,0,1,0,0|1,0,0]=3 2515 B13R1.337 O=C(O)CCCOC1CCOCC1 Amb19046913 [0,1,0,1,0,0|1,0,0]=3 2516 B13R1.337 O=C(O)CCCSC1CCCCC1 Amb32411477 [0,1,0,1,0,0|0,0,0]=2 2517 B13R1.337 O=C(O)CCCSC1CCNCC1 Amb17502196 [0,1,0,1,0,0|1,0,0]=3 2518 B13R1.337 O=C(O)CCNCC1CCCCC1 Amb8830821 [0,1,0,1,0,0|0,0,0]=2 2519 B13R1.337 O=C(O)CCSCC1CCCCC1 Amb6260195 [0,1,0,1,0,0|0,0,0]=2 2520 B13R1.337 O=C(O)CNCCN1CCCCC1 Amb9325913 [0,1,0,1,0,0|1,0,0]=3 2521 B13R1.337 O=C(O)CNCCN1CCOCC1 Amb7766531 [0,1,0,1,0,0|2,0,0]=4 2522 B13R1.337 O=C(O)CN\C=N\C1CCCCC1 Amb27848052 [0,1,0,1,0,0|1,0,1]=4 2523 B13R1.337 O=C(O)COCCC1CCCCN1 Amb18628209 [0,1,0,1,0,0|1,0,0]=3 2524 B13R1.337 O=C(O)COCCN1CCCCC1 Amb33620646 [0,1,0,1,0,0|1,0,0]=3 2525 B13R1.337 O=C(O)COCCN1CCCCC1 Amb33732301 [0,1,0,1,0,0|1,0,0]=3 2526 B13R1.337 O=C(O)COCCN1CCOCC1 Amb33359255 [0,1,0,1,0,0|2,0,0]=4 2527 B13R1.337 O=C(O)CSCCN1CCCCC1 Amb6745655 [0,1,0,1,0,0|1,0,0]=3 2528 B13R1.337 O=C(O)CSCCN1CCOCC1 Amb6673247 [0,1,0,1,0,0|2,0,0]=4 2529 B13R1.337 O=C(O)\C=C\CCC1CCCCC1 Amb33470091 [0,1,0,1,0,0|0,0,1]=3 2530 B13R1.487 CCCC[C@H]1CCCC[C@H](O)CC1 Amb28345404 [0,1,0,1,0,0|1,0,1]=4 2531 B13R1.568 CC#CCC1CCCC(C(=O)O)N1 Amb27980843 [0,1,0,1,0,0|0,0,2]=4 2532 B13R1.568 CCCCC1CC(C(=O)O)CCN1 Amb33500837 [0,1,0,1,0,0|1,0,0]=3 2533 B13R1.568 CCCCC1CCCC(C(=O)O)N1 Amb33500856 [0,1,0,1,0,0|0,0,0]=2 2534 B13R1.568 CCCCC1CCNC(C(=O)O)C1 Amb33500848 [0,1,0,1,0,0|1,0,0]=3 2535 B13R1.568 CCCCC1CNCC(C(=O)O)C1 Amb33500826 [0,1,0,1,0,0|1,0,0]=3 2536 B13R1.568 COCCN1CCCC(C(=O)O)C1 Amb21954138 [0,1,0,1,0,0|2,0,0]=4 2537 B13R1.568 COCCN1CCCC(C(=O)O)C1 Amb9299313 [0,1,0,1,0,0|2,0,0]=4 2538 B13R1.893 C=C(C)CCC1CC(N)CCC1C Amb32866201 [0,1,0,1,0,0|2,0,0]=4 2539 B13R1.893 CC(=O)CCN1CC(C)CCC1C Amb28347655 [0,1,0,1,0,0|2,0,0]=4 2540 B13R1.893 CC(=O)CC[C@@H]1C[C@H](O)OC[C@@H]1C Amb27651755 [0,1,0,1,0,0|2,0,0]=4 2541 B13R1.893 CC(=O)OCC1CC(C)CCC1C Amb25980821 [0,1,0,1,0,0|2,0,0]=4 2542 B13R1.893 CC1CCC(=O)C(CCC(=O)O)C1 Amb18191663 [0,1,0,1,0,0|1,0,1]=4 2543 B13R1.893 CC1CCC(C)C(OCC(=O)O)C1 Amb32946296 [0,1,0,1,0,0|1,0,0]=3 2544 B13R1.893 CC1CCC(N)CN1CCC(=O)O Amb35643207 [0,1,0,1,0,0|1,0,0]=3 2545 B13R1.893 CC1CCC(O)CN1CCC(=O)O Amb27969323 [0,1,0,1,0,0|1,0,0]=3 2546 B13R1.893 CC1CN(CCC(=O)O)C(C)CN1 Amb28185440 [0,1,0,1,0,0|2,0,0]=4 2547 B13R1.893 C[C@@H]1CC[C@@H](O)CN1CCC(N)=O Amb26934119 [0,1,0,1,0,0|2,0,0]=4 2548 B13R1.893 C[C@H]1CCC(=O)[C@@H](CCC(=O)O)C1 Amb27232771 [0,1,0,1,0,0|1,0,1]=4 2549 B13R1.893 C[C@H]1CC[C@H](O)CN1CCC(=O)O Amb27254939 [0,1,0,1,0,0|1,0,0]=3 2550 B13R1.893 C[C@H]1CC[C@H](O)CN1CCC(N)=O Amb27760529 [0,1,0,1,0,0|2,0,0]=4 2551 B13R1.1042 O=C(O)CCCCC(=O)C1CCC1 Amb6305213 [0,1,0,1,0,0|0,0,1]=3 2552 B13R1.3501 C=C(C)CCC1CCCCC(Br)C1 Amb28457143 [0,1,0,1,0,0|2,0,0]=4 2553 B13R1.3501 C=C(C)CCC1CCCCC(N)C1 Amb27754899 [0,1,0,1,0,0|2,0,0]=4 2554 B13R1.3501 C=C(C)CCC1CCCCC(O)C1 Amb28457142 [0,1,0,1,0,0|2,0,0]=4 2555 B13R1.3501 CC(=O)CCN1CCCCC(C)C1 Amb27188266 [0,1,0,1,0,0|2,0,0]=4 2556 B13R1.3501 CC(C)CCC1=CC(=O)CCCC1 Amb27652133 [0,1,0,1,0,0|1,0,1]=4 2557 B13R1.3501 CC(C)OCC1CCCCC(=O)C1 Amb27756608 [0,1,0,1,0,0|2,0,0]=4 2558 B13R1.3501 CC1CCCCN(CCC(=O)O)C1 Amb27834688 [0,1,0,1,0,0|1,0,0]=3 2559 B13R1.3501 CC1CCCCN(CCC(N)=O)C1 Amb28185675 [0,1,0,1,0,0|2,0,0]=4 2560 B13R1.3501 CC1CN(CCC(=O)O)CCCO1 Amb19002886 [0,1,0,1,0,0|2,0,0]=4 2561 B13R1.3501 CS(=O)CCC1CCCCC(Br)C1 Amb27874528 [0,1,0,1,0,0|2,0,0]=4 2562 B13R1.3501 NC(=O)CCN1CCCCC(F)C1 Amb28184739 [0,1,0,1,0,0|2,0,0]=4 2563 B13R1.3501 O=C(O)CCC1CCCCC(=O)N1 Amb18191370 [0,1,0,1,0,0|1,0,1]=4 2564 B13R1.3710 CC(=O)OC1CCCCC(Cl)CC1 Amb27401165 [0,1,0,1,0,0|2,0,0]=4 2565 B13R1.3803 O=C1CCC=CCC(O)CCCO1 Amb27457854 [0,1,0,1,0,0|0,0,2]=4 2566 B13R1.3803 O=C1CCCCCC(O)CCCO1 Amb28205496 [0,1,0,1,0,0|0,0,0]=2 2567 B13R1.4010 CCCN1C(=O)CCC1CC(=O)O Amb22056001 [0,1,0,1,0,0|1,0,1]=4 2568 B13R1.4012 CCCC1C(C)CCCN1C(=O)Cl Amb32864031 [0,1,0,1,0,0|2,0,0]=4 2569 B13R1.4012 CCCC1C(C)CCCN1C(N)=O Amb28078573 [0,1,0,1,0,0|2,0,0]=4 2570 B13R1.6434 CC1(CCCCl)CCCCC(=O)N1 Amb27659484 [0,1,0,1,0,0|2,0,0]=4 2571 B13R1.6434 C[C@@]1(CCCCl)CCCCC(=O)N1 Amb28251108 [0,1,0,1,0,0|2,0,0]=4 2572 B13R1.7746 CC1(CCCCC(=O)O)OCCO1 Amb28325632 [0,1,0,1,0,0|2,0,0]=4 2573 B13R1.612 CCC1CCCCCC1S(=O)(=O)Cl Amb32692909 [0,1,0,1,0,0|1,0,1]=4 2574 B13R1.612 CCC1CCCCCC1S(=O)(=O)F Amb33352758 [0,1,0,1,0,0|1,0,1]=4 2575 B13R1.612 CCC1CCCCCC1S(N)(=O)=O Amb32691836 [0,1,0,1,0,0|1,0,1]=4 2576 B13R1.622 CCC1CCCCC1CS(=O)(=O)Cl Amb26597815 [0,1,0,1,0,0|1,0,1]=4 2577 B13R1.622 CCC1CCCCC1CS(=O)(=O)F Amb33352652 [0,1,0,1,0,0|1,0,1]=4 2578 B13R1.622 CCC1CCCCC1CS(N)(=O)=O Amb25353935 [0,1,0,1,0,0|1,0,1]=4 2579 B13R1.3441 CCCCCCC1CCS(=O)(=O)N1 Amb32992191 [0,1,0,1,0,0|1,0,1]=4 2580 B13R1.3523 NS(=O)(=O)CCCC1CCCCC1 Amb32691796 [0,1,0,1,0,0|1,0,1]=4 2581 B13R1.3523 O=S(=O)(Cl)CCCC1CCCCC1 Amb30625640 [0,1,0,1,0,0|1,0,1]=4 2582 B13R1.3523 O=S(=O)(F)CCCC1CCCCC1 Amb33352372 [0,1,0,1,0,0|1,0,1]=4 2583 B13R1.3523 O=S(=O)(O)CCNC1CCCCC1 Amb6356471 [0,1,0,1,0,0|2,0,0]=4 2584 B13R1.6268 NS(=O)(=O)CCC1CCCCCC1 Amb24663753 [0,1,0,1,0,0|1,0,1]=4 2585 B13R1.6268 O=S(=O)(Cl)CCC1CCCCCC1 Amb26066271 [0,1,0,1,0,0|1,0,1]=4 2586 B13R1.6268 O=S(=O)(F)CCC1CCCCCC1 Amb33352327 [0,1,0,1,0,0|1,0,1]=4 2587 B13R1.6279 NS(=O)(=O)CC1CCCCCCC1 Amb26434558 [0,1,0,1,0,0|1,0,1]=4 2588 B13R1.6279 O=S(=O)(Cl)CC1CCCCCCC1 Amb26520009 [0,1,0,1,0,0|1,0,1]=4 2589 B13R1.6279 O=S(=O)(F)CC1CCCCCCC1 Amb33352821 [0,1,0,1,0,0|1,0,1]=4 2590 B13R1.15 CCC(C)NCC1CCCC(=O)N1 Amb32721819 [0,1,0,1,0,0|2,0,0]=4 2591 B13R1.150 CC(=O)CCN1CCCC(O)C1C Amb27211602 [0,1,0,1,0,0|2,0,0]=4 2592 B13R1.150 CC(=O)NCC1CCCC(C)C1C Amb27665155 [0,1,0,1,0,0|2,0,0]=4 2593 B13R1.150 CC1C(=O)CCCC1CCC(=O)O Amb27650595 [0,1,0,1,0,0|0,0,1]=3 2594 B13R1.150 CC1C(N)CCCN1CCC(N)=O Amb27427372 [0,1,0,1,0,0|2,0,0]=4 2595 B13R1.150 CC1C(O)CCCN1CCC(N)=O Amb27198954 [0,1,0,1,0,0|2,0,0]=4 2596 B13R1.150 CC1CCCC(CNC(N)=O)C1C Amb27804816 [0,1,0,1,0,0|2,0,0]=4 2597 B13R1.150 CC1CCCC(NCC(=O)O)C1C Amb7766543 [0,1,0,1,0,0|1,0,0]=3 2598 B13R1.150 CC1CCCC(OCC(=O)O)C1C Amb32946293 [0,1,0,1,0,0|1,0,0]=3 2599 B13R1.150 CC1CCCN(CCC(N)=O)C1C Amb19057628 [0,1,0,1,0,0|2,0,0]=4 2600 B13R1.150 CC1NCCN(CCC(=O)O)C1C Amb27453951 [0,1,0,1,0,0|2,0,0]=4 2601 B13R1.150 C[C@@H]1CCC[C@H](CCC(=O)O)C1=O Amb28458400 [0,1,0,1,0,0|1,0,1]=4 2602 B13R1.150 C[C@@H]1[C@H](N)CCCN1CCC(N)=O Amb27187022 [0,1,0,1,0,0|2,0,0]=4 2603 B13R1.513 CC1CCC(=CCCC(=O)O)CC1 Amb18129133 [0,1,0,1,0,0|0,0,2]=4 2604 B13R1.513 CC1CCC(CCCC(=O)O)CC1 Amb33449764 [0,1,0,1,0,0|0,0,0]=2 2605 B13R1.513 CC1CCC(CCNC(=O)Cl)CC1 Amb35633386 [0,1,0,1,0,0|2,0,0]=4 2606 B13R1.513 CC1CCC(CCNC(N)=O)CC1 Amb27970374 [0,1,0,1,0,0|2,0,0]=4 2607 B13R1.513 CC1CCN(CCCC(=O)Cl)CC1 Amb17143297 [0,1,0,1,0,0|2,0,0]=4 2608 B13R1.513 CC1CCN(CCCC(=O)O)CC1 Amb15741040 [0,1,0,1,0,0|1,0,0]=3 2609 B13R1.513 CC1CCN(CCCC(=O)O)CC1 Amb5768161 [0,1,0,1,0,0|1,0,0]=3 2610 B13R1.513 CC1CCN(CCCC(N)=O)CC1 Amb17143016 [0,1,0,1,0,0|2,0,0]=4 2611 B13R1.513 CN1CCC(CCCC(=O)O)CC1 Amb33358866 [0,1,0,1,0,0|1,0,0]=3 2612 B13R1.513 CN1CCC(COCC(=O)O)CC1 Amb21860246 [0,1,0,1,0,0|2,0,0]=4 2613 B13R1.513 CN1CCN(CCCC(=O)O)CC1 Amb15740927 [0,1,0,1,0,0|2,0,0]=4 2614 B13R1.513 CN1CCN(CCCC(=O)O)CC1 Amb5775155 [0,1,0,1,0,0|2,0,0]=4 2615 B13R1.513 NC1CCN(CCCC(=O)O)CC1 Amb19016096 [0,1,0,1,0,0|1,0,0]=3 2616 B13R1.513 NC1CCN(CCCC(=O)O)CC1 Amb24271268 [0,1,0,1,0,0|1,0,0]=3 2617 B13R1.513 O=C(O)CCCN1CCC(=O)CC1 Amb5768904 [0,1,0,1,0,0|1,0,1]=4 2618 B13R1.547 CC(CO)N1CCCCC1C(=O)O Amb27800799 [0,1,0,1,0,0|2,0,0]=4 2619 B13R1.547 CCC(=O)C1CCCCC1C(=O)O Amb28193420 [0,1,0,1,0,0|0,0,1]=3 2620 B13R1.547 CCC(=O)N1CCCCC1C(=O)O Amb9705381 [0,1,0,1,0,0|1,0,1]=4 2621 B13R1.547 CCC(=O)N1CCCC[C@H]1C(=O)O Amb28318035 [0,1,0,1,0,0|1,0,1]=4 2622 B13R1.547 CCC(C)C1CC=CCC1C(=O)O Amb28119830 [0,1,0,1,0,0|0,0,2]=4 2623 B13R1.547 CCC(C)C1CCCCN1C(=O)Cl Amb32863978 [0,1,0,1,0,0|2,0,0]=4 2624 B13R1.547 CCC(C)C1CCNCC1C(=O)O Amb18191304 [0,1,0,1,0,0|1,0,0]=3 2625 B13R1.547 CCC(C)N1CCCCC1C(N)=O Amb27804832 [0,1,0,1,0,0|2,0,0]=4 2626 B13R1.547 CCS(=O)N1CCCC[C@H]1C(=O)O Amb27202923 [0,1,0,1,0,0|2,0,0]=4 2627 B13R1.547 CNC(=O)C1CCCCC1C(=O)O Amb9390755 [0,1,0,1,0,0|1,0,1]=4 2628 B13R1.547 CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O Amb23441200 [0,1,0,1,0,0|1,0,1]=4 2629 B13R1.547 CNC(=O)[C@H]1CCCC[C@H]1C(=O)O Amb27231632 [0,1,0,1,0,0|1,0,1]=4 2630 B13R1.547 COC(=O)C1CCCCC1C(=O)O Amb4014526 [0,1,0,1,0,0|1,0,1]=4 2631 B13R1.547 COC(=O)[C@@H]1CCCC[C@@H]1C(=O)O Amb27620026 [0,1,0,1,0,0|1,0,1]=4 2632 B13R1.547 COC(=O)[C@@H]1CCCC[C@H]1C(=O)O Amb22735906 [0,1,0,1,0,0|1,0,1]=4 2633 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)O Amb6299839 [0,1,0,1,0,0|1,0,1]=4 2634 B13R1.547 NCC(=O)C1CCCCC1C(=O)O Amb27403533 [0,1,0,1,0,0|1,0,1]=4 2635 B13R1.547 NCC(O)C1CCCCC1C(=O)O Amb27955921 [0,1,0,1,0,0|1,0,0]=3 2636 B13R1.547 NCC(O)[C@H]1CCCC[C@@H]1C(=O)O Amb28193712 [0,1,0,1,0,0|1,0,0]=3 2637 B13R1.643 CCC1CCCC(OCC(=O)O)C1 Amb32946267 [0,1,0,1,0,0|1,0,0]=3 2638 B13R1.643 CCC1CCCC(\C=C\C(=O)O)C1 Amb27847785 [0,1,0,1,0,0|0,0,2]=4 2639 B13R1.643 CCN1CCOC(CCC(=O)O)C1 Amb18061909 [0,1,0,1,0,0|2,0,0]=4 2640 B13R1.643 COC1CCCC(OCC(=O)O)C1 Amb32946162 [0,1,0,1,0,0|2,0,0]=4 2641 B13R1.643 COC1CNCC(CCC(=O)O)C1 Amb33068998 [0,1,0,1,0,0|2,0,0]=4 2642 B13R1.717 CCC(C)CNCC1CCC(=O)N1 Amb33230957 [0,1,0,1,0,0|2,0,0]=4 2643 B13R1.1868 C=C(CC)CC1CCCCC(=O)C1 Amb27852319 [0,1,0,1,0,0|1,0,1]=4 2644 B13R1.2878 CCC(C)CC1CCCCC1(C)O Amb32950054 [0,1,0,1,0,0|1,0,1]=4 2645 B13R1.2878 CCC(C)C[C@@H]1CCCC[C@@]1(C)O Amb32944808 [0,1,0,1,0,0|1,0,1]=4 2646 B13R1.2878 CCC(N)CC1CCCCS1(=O)=O Amb35673359 [0,1,0,1,0,0|1,0,1]=4 2647 B13R1.2878 CCC(O)CC1CCCCC1(C)O Amb35665922 [0,1,0,1,0,0|1,0,1]=4 2648 B13R1.2878 CCC(O)C[C@@H]1CCCC[C@@]1(C)O Amb35665913 [0,1,0,1,0,0|1,0,1]=4 2649 B13R1.2880 CCC(=O)N[C@@H]1CCC[C@@H]1C(=O)O Amb29892615 [0,1,0,1,0,0|1,0,1]=4 2650 B13R1.3499 C[C@@H]1[C@@H](CC(=O)O)CCCCN1C Amb18191311 [0,1,0,1,0,0|1,0,0]=3 2651 B13R1.3796 CC1CCCN(CCC(=O)O)CC1 Amb28317829 [0,1,0,1,0,0|1,0,0]=3 2652 B13R1.3796 CC1CCN(CCC(=O)O)CCS1 Amb28067084 [0,1,0,1,0,0|2,0,0]=4 2653 B13R1.3796 CN1CCCC(CCC(=O)O)CC1 Amb18191340 [0,1,0,1,0,0|1,0,0]=3 2654 B13R1.3796 CN1CCCN(CCC(=O)O)CC1 Amb6639909 [0,1,0,1,0,0|2,0,0]=4 2655 B13R1.3796 NC(=O)CCN1CCCC(N)CC1 Amb27945201 [0,1,0,1,0,0|2,0,0]=4 2656 B13R1.3821 CC1CCCC=CCC(Cl)C(=O)O1 Amb27797361 [0,1,0,1,0,0|0,0,2]=4 2657 B13R1.149 CC(C)CNCC1CCCC(=O)N1 Amb32721823 [0,1,0,1,0,0|2,0,0]=4 2658 B13R1.149 CC1CCCC(CCNC(=O)Cl)C1 Amb35633231 [0,1,0,1,0,0|2,0,0]=4 2659 B13R1.149 CC1CCCC(OCCC(=O)O)C1 Amb9208496 [0,1,0,1,0,0|1,0,0]=3 2660 B13R1.149 CC1CCCN(CCCC(=O)Cl)C1 Amb17143295 [0,1,0,1,0,0|2,0,0]=4 2661 B13R1.149 CC1CCCN(CCCC(=O)O)C1 Amb5774660 [0,1,0,1,0,0|1,0,0]=3 2662 B13R1.149 CC1CCCN(CCCC(N)=O)C1 Amb17143014 [0,1,0,1,0,0|2,0,0]=4 2663 B13R1.149 CN1CCCC(COCC(=O)O)C1 Amb21860244 [0,1,0,1,0,0|2,0,0]=4 2664 B13R1.149 O=C(O)CCCC1CCCC(=O)N1 Amb33465486 [0,1,0,1,0,0|1,0,1]=4 2665 B13R1.280 C=C(C)CCC1CCCCCC1N Amb27865273 [0,1,0,1,0,0|2,0,0]=4 2666 B13R1.280 C=C(C)CCC1CCCCCC1O Amb26330320 [0,1,0,1,0,0|2,0,0]=4 2667 B13R1.280 C=C(C)CC[C@@H]1CCCCC[C@H]1O Amb33213344 [0,1,0,1,0,0|2,0,0]=4 2668 B13R1.280 C=C(C)CNC1CCCCCC1C Amb27181020 [0,1,0,1,0,0|2,0,0]=4 2669 B13R1.280 CC(=O)CCN1CCCOCC1C Amb27804744 [0,1,0,1,0,0|2,0,0]=4 2670 B13R1.280 CC1CCCCCC1NC[C@H](C)O Amb27979536 [0,1,0,1,0,0|1,0,1]=4 2671 B13R1.280 CC1CCCCCN1CCC(N)=S Amb27761041 [0,1,0,1,0,0|1,1,0]=4 2672 B13R1.280 CC1CCCCCN1\C=C\C(=O)O Amb27415974 [0,1,0,1,0,0|0,0,2]=4 2673 B13R1.280 CC1COCCCN1CCC(N)=O Amb28078627 [0,1,0,1,0,0|2,0,0]=4 2674 B13R1.280 CN1CCCCCC1CCC(=O)O Amb18191306 [0,1,0,1,0,0|0,0,0]=2 2675 B13R1.280 CS(=O)CCC1CCCCCC1Cl Amb27879969 [0,1,0,1,0,0|2,0,0]=4 2676 B13R1.280 NC(=O)COC1CCCCCC1N Amb27596830 [0,1,0,1,0,0|2,0,0]=4 2677 B13R1.280 NC(=O)CSC1CCCCCC1O Amb27394341 [0,1,0,1,0,0|2,0,0]=4 2678 B13R1.280 O=C(O)CCC1CCCCCC1=O Amb18822898 [0,1,0,1,0,0|0,0,1]=3 2679 B13R1.280 O=C(O)CCN1CCCCCC1=O Amb1125181 [0,1,0,1,0,0|1,0,1]=4 2680 B13R1.280 O=C(O)CC[C@H]1CCCCCC1=O Amb28366204 [0,1,0,1,0,0|0,0,1]=3 2681 B13R1.280 O=C(O)CNC1CCCCCC1O Amb28315346 [0,1,0,1,0,0|1,0,0]=3 2682 B13R1.280 O=C(O)CSC1CCCCCC1O Amb27401645 [0,1,0,1,0,0|1,0,0]=3 2683 B13R1.342 CC(COCC(=O)O)N1CCCC1 Amb28662520 [0,1,0,1,0,0|2,0,0]=4 2684 B13R1.342 CC(COCC(=O)O)N1CCCC1 Amb32661696 [0,1,0,1,0,0|2,0,0]=4 2685 B13R1.342 O=C(O)CCCC(=O)C1CCCC1 Amb6305208 [0,1,0,1,0,0|0,0,1]=3 2686 B13R1.342 O=C(O)CCCC(=O)N1CCCC1 Amb1119271 [0,1,0,1,0,0|1,0,1]=4 2687 B13R1.342 O=C(O)CCNC(=O)C1CCCC1 Amb1111626 [0,1,0,1,0,0|1,0,1]=4 2688 B13R1.356 C=CCC1CC(C)CCC1C(=O)O Amb27608739 [0,1,0,1,0,0|0,0,2]=4 2689 B13R1.356 CCCN1CC(=O)CCC1C(=O)O Amb28048270 [0,1,0,1,0,0|1,0,1]=4 2690 B13R1.356 COCC1CC(C)CCC1C(=O)O Amb27836315 [0,1,0,1,0,0|1,0,0]=3 2691 B13R1.658 CCCCCC1NC(C(=O)O)CS1 Amb7795646 [0,1,0,1,0,0|1,0,0]=3 2692 B13R1.769 N[C@H]1CCC[C@@H](O)CC[C@H]1C(=O)O Amb27472020 [0,1,0,1,0,0|1,0,0]=3 2693 B13R1.1988 CC(=O)NCCN1CCCCCC1 Amb25897411 [0,1,0,1,0,0|2,0,0]=4 2694 B13R1.1988 CC(=O)NOCC1CCCCCC1 Amb27806373 [0,1,0,1,0,0|2,0,0]=4 2695 B13R1.1988 CC(C)=CCCC1CCCCCC1 Amb35588025 [0,1,0,1,0,0|2,0,0]=4 2696 B13R1.1988 CC(O)CCNC1CCCCCC1 Amb33496526 [0,1,0,1,0,0|1,0,1]=4 2697 B13R1.1988 NC(=O)CCNC1CCCCCC1 Amb8858451 [0,1,0,1,0,0|1,0,0]=3 2698 B13R1.1988 NC(=O)NOCC1CCCCCC1 Amb27467105 [0,1,0,1,0,0|2,0,0]=4 2699 B13R1.1988 O=C(O)C#CCC1CCCCCC1 Amb27238099 [0,1,0,1,0,0|0,0,1]=3 2700 B13R1.1988 O=C(O)CCCC1CCCCCC1 Amb33470260 [0,1,0,1,0,0|0,0,0]=2 2701 B13R1.1988 O=C(O)CCCN1CCCCCC1 Amb10072744 [0,1,0,1,0,0|0,0,0]=2 2702 B13R1.1988 O=C(O)CCCN1CCCCCC1 Amb5501646 [0,1,0,1,0,0|0,0,0]=2 2703 B13R1.1988 O=C(O)CCNC1=NCCCCC1 Amb1052796 [0,1,0,1,0,0|1,0,1]=4 2704 B13R1.1988 O=C(O)CON=C1CCCCCC1 Amb27837033 [0,1,0,1,0,0|1,0,1]=4 2705 B13R1.1988 O=C(O)\C=C\CC1CCCCCC1 Amb26047869 [0,1,0,1,0,0|0,0,1]=3 2706 B13R1.1988 O=C(O)\C=C\CN1CCCCCC1 Amb18296443 [0,1,0,1,0,0|0,0,2]=4 2707 B13R1.2744 CCCCOC(=O)[C@@H]1C[C@@H]1C(=O)O Amb30869361 [0,1,0,1,0,0|1,0,1]=4 2708 B13R1.2744 CCCCOC(=O)[C@H]1C[C@H]1C(=O)O Amb33806136 [0,1,0,1,0,0|1,0,1]=4 2709 B13R1.3089 C=C(C)CC1CC(N)CCC1CC Amb32866398 [0,1,0,1,0,0|2,0,0]=4 2710 B13R1.3089 C=C(Cl)CC1CC(N)CCC1CC Amb32866445 [0,1,0,1,0,0|2,0,0]=4 2711 B13R1.3089 CC1CCC(C#N)C(CC(=O)O)C1 Amb29854490 [0,1,0,1,0,0|1,0,1]=4 2712 B13R1.3089 CCC1CCC(=O)CC1CC(=O)O Amb32865504 [0,1,0,1,0,0|0,0,1]=3 2713 B13R1.3089 CCC1CNC(=O)CC1CC(=O)O Amb18129519 [0,1,0,1,0,0|1,0,1]=4 2714 B13R1.3089 CCC1CNC(C)CN1CC(=O)O Amb27857567 [0,1,0,1,0,0|2,0,0]=4 2715 B13R1.3089 CC[C@H]1CNC(=O)C[C@H]1CC(=O)O Amb28134339 [0,1,0,1,0,0|1,0,1]=4 2716 B13R1.3089 COC1CCN(C)CC1CC(=O)O Amb18191133 [0,1,0,1,0,0|2,0,0]=4 2717 B13R1.3787 CC(=O)CCN1[C@H](C)CCC[C@H]1C Amb27434722 [0,1,0,1,0,0|2,0,0]=4 2718 B13R1.3787 CC1CCCC(C)N1CCC(=O)Cl Amb17143289 [0,1,0,1,0,0|2,0,0]=4 2719 B13R1.3787 CC1CCCC(C)N1CCC(=O)O Amb13949151 [0,1,0,1,0,0|1,0,0]=3 2720 B13R1.3787 CC1CCCC(C)N1CCC(=O)O Amb5774352 [0,1,0,1,0,0|1,0,0]=3 2721 B13R1.3787 CC1CCCC(C)N1CCC(N)=O Amb17143008 [0,1,0,1,0,0|2,0,0]=4 2722 B13R1.3787 CC1CCCC(C)N1NCC(=O)O Amb28382463 [0,1,0,1,0,0|2,0,0]=4 2723 B13R1.3787 CC1CNCC(C)N1CCC(=O)O Amb27226265 [0,1,0,1,0,0|2,0,0]=4 2724 B13R1.3787 CC1COCC(C)N1CCC(=O)O Amb28189249 [0,1,0,1,0,0|2,0,0]=4 2725 B13R1.3787 C[C@@H]1CCC[C@@H](C)N1CCC(=O)O Amb27472166 [0,1,0,1,0,0|1,0,0]=3 2726 B13R1.3787 C[C@H]1CCC[C@@H](C)N1CCC(=O)O Amb22757831 [0,1,0,1,0,0|1,0,0]=3 2727 B13R1.3787 C[C@H]1CNC[C@@H](C)N1CCC(=O)O Amb35696474 [0,1,0,1,0,0|2,0,0]=4 2728 B13R1.3792 CC1CCCC(C)N(CC(=O)O)C1 Amb28293806 [0,1,0,1,0,0|1,0,0]=3 2729 B13R1.5134 CC1(CCCC(=O)O)CCCCC1 Amb33449448 [0,1,0,1,0,0|0,0,0]=2 2730 B13R1.5134 CC1(CCCC(=O)O)CCOCC1 Amb33415595 [0,1,0,1,0,0|1,0,0]=3 2731 B13R1.5134 NC(=O)NCCC1(O)CCCCC1 Amb35704646 [0,1,0,1,0,0|2,0,0]=4 2732 B13R1.7541 C[C@@H]1CC=C[C@@H](O)CCCC(=O)O1 Amb28428577 [0,1,0,1,0,0|0,0,2]=4 2733 B13R1.8925 CCCCCC1(C)CCCC1(C)O Amb33213071 [0,1,0,1,0,0|1,0,1]=4 2734 B13R1.6 CCCCCCC1CCCC(=O)O1 Amb9825889 [0,1,0,1,0,0|0,0,0]=2 2735 B13R1.6 CCCCNCC1CCCC(=O)N1 Amb32721277 [0,1,0,1,0,0|1,0,0]=3 2736 B13R1.6 CCCCOCC1CCNC(=O)C1 Amb32654950 [0,1,0,1,0,0|2,0,0]=4 2737 B13R1.6 N#CCCCCC1CCCC(=O)C1 Amb6302009 [0,1,0,1,0,0|1,0,1]=4 2738 B13R1.90 CCC1CCCCC1NCC(C)O Amb19058194 [0,1,0,1,0,0|1,0,1]=4 2739 B13R1.90 CCC1CCCCC1OCC(=O)O Amb6281025 [0,1,0,1,0,0|0,0,0]=2 2740 B13R1.90 CCC1CCCCC1\C=C\C(=O)O Amb27626367 [0,1,0,1,0,0|0,0,1]=3 2741 B13R1.90 CCC1CCCCN1CCC(=O)Cl Amb17143287 [0,1,0,1,0,0|1,0,0]=3 2742 B13R1.90 CCC1CCCCN1CCC(=O)O Amb21955365 [0,1,0,1,0,0|0,0,0]=2 2743 B13R1.90 CCC1CCCCN1CCC(=O)O Amb5760925 [0,1,0,1,0,0|0,0,0]=2 2744 B13R1.90 CCC1CCCCN1CCC(C)=O Amb8872862 [0,1,0,1,0,0|1,0,0]=3 2745 B13R1.90 CCC1CCCCN1\C=C\C(=O)O Amb27415872 [0,1,0,1,0,0|0,0,2]=4 2746 B13R1.90 CCN1CCCCC1CNC(N)=O Amb27823872 [0,1,0,1,0,0|2,0,0]=4 2747 B13R1.90 CCN1CCCCC1COC(=O)Cl Amb33297367 [0,1,0,1,0,0|2,0,0]=4 2748 B13R1.90 COC1CCCCC1CNC(N)=O Amb27769616 [0,1,0,1,0,0|2,0,0]=4 2749 B13R1.90 COC1CCCCC1NCC(=O)O Amb9640481 [0,1,0,1,0,0|1,0,0]=3 2750 B13R1.90 COC1CCCCC1NCC(N)=O Amb9620810 [0,1,0,1,0,0|2,0,0]=4 2751 B13R1.90 C\C=C1\CCCCC1CCC(=O)O Amb27649352 [0,1,0,1,0,0|0,0,1]=3 2752 B13R1.90 N#CN1CCCCC1CCC(=O)O Amb29870690 [0,1,0,1,0,0|1,0,1]=4 2753 B13R1.90 NC[C@@H]1CCCCN1CCC(=O)O Amb33218409 [0,1,0,1,0,0|1,0,0]=3 2754 B13R1.90 NC[C@@H]1COCCN1CCC(=O)O Amb33218371 [0,1,0,1,0,0|2,0,0]=4 2755 B13R1.90 NC[C@H]1CCCCN1CCC(=O)O Amb33218357 [0,1,0,1,0,0|1,0,0]=3 2756 B13R1.167 CN1CCCC1CCCCC(=O)O Amb33320357 [0,1,0,1,0,0|0,0,0]=2 2757 B13R1.224 C=CCC1CCCCCC1C(=O)O Amb28423343 [0,1,0,1,0,0|0,0,1]=3 2758 B13R1.224 CCNC1CCCCCC1C(N)=O Amb27804671 [0,1,0,1,0,0|1,0,0]=3 2759 B13R1.224 CCNC1CCCCCC1S(C)=O Amb27873686 [0,1,0,1,0,0|2,0,0]=4 2760 B13R1.224 N#CCN1CCCCCC1C(=O)O Amb27851226 [0,1,0,1,0,0|1,0,1]=4 2761 B13R1.224 N#CNC1CCCCCC1C(=O)O Amb29870691 [0,1,0,1,0,0|1,0,1]=4 2762 B13R1.224 NCCN1CCCCCC1C(=O)O Amb27444112 [0,1,0,1,0,0|1,0,0]=3 2763 B13R1.279 O=C1CCCCCCCCCCC1 Amb1935123 [0,1,0,1,0,0|1,0,0]=3 2764 B13R1.279 O=C1CCCCCCCCCCN1 Amb22011853 [0,1,0,1,0,0|1,0,0]=3 2765 B13R1.279 O=C1CNCCCCCCCCN1 Amb27240963 [0,1,0,1,0,0|1,0,0]=3 2766 B13R1.279 OC1CCCCCCCCCCC1 Amb532972 [0,1,0,1,0,0|1,0,1]=4 2767 B13R1.283 CC(=O)OC1CCCCCCC1O Amb28146133 [0,1,0,1,0,0|2,0,0]=4 2768 B13R1.283 CC(=O)O[C@@H]1CCCCCC[C@H]1O Amb27447910 [0,1,0,1,0,0|2,0,0]=4 2769 B13R1.283 CC(=O)O[C@H]1CCCCCC[C@@H]1Cl Amb28344689 [0,1,0,1,0,0|2,0,0]=4 2770 B13R1.283 NC1CCCCCCC1CC(=O)O Amb32863475 [0,1,0,1,0,0|0,0,0]=2 2771 B13R1.283 O=C(O)CN1CCCCCCC1=O Amb6251748 [0,1,0,1,0,0|1,0,1]=4 2772 B13R1.343 CC(=O)NCCCCN1CCCC1 Amb13848931 [0,1,0,1,0,0|2,0,0]=4 2773 B13R1.343 O=C(O)CCCCCC1CCCC1 Amb33172440 [0,1,0,1,0,0|0,0,0]=2 2774 B13R1.343 O=C(O)CCCCCN1CCCC1 Amb32953909 [0,1,0,1,0,0|0,0,0]=2 2775 B13R1.343 O=C(O)CCCCOC1CCCC1 Amb9207783 [0,1,0,1,0,0|0,0,0]=2 2776 B13R1.343 O=C(O)CCNCCN1CCCC1 Amb9240770 [0,1,0,1,0,0|1,0,0]=3 2777 B13R1.343 O=C(O)CCSCCN1CCCC1 Amb6745718 [0,1,0,1,0,0|1,0,0]=3 2778 B13R1.343 O=C(O)CNCCCN1CCCC1 Amb19058449 [0,1,0,1,0,0|1,0,0]=3 2779 B13R1.380 C#CCN1CCCCC1CC(=O)O Amb18971239 [0,1,0,1,0,0|0,0,2]=4 2780 B13R1.380 CC(=O)C[C@@H]1CCCC[C@H]1CC#N Amb28194621 [0,1,0,1,0,0|1,0,1]=4 2781 B13R1.380 CCCC1CCCCC1NC(N)=O Amb28051036 [0,1,0,1,0,0|1,0,0]=3 2782 B13R1.380 CCOC1COCCC1CC(=O)O Amb18821116 [0,1,0,1,0,0|1,0,0]=3 2783 B13R1.380 CCSC1CCCCC1NC(C)=O Amb28342862 [0,1,0,1,0,0|2,0,0]=4 2784 B13R1.380 CCSC1CCCCC1NC(N)=O Amb28352300 [0,1,0,1,0,0|2,0,0]=4 2785 B13R1.380 COCC1CCCCN1CC(=O)O Amb21865524 [0,1,0,1,0,0|1,0,0]=3 2786 B13R1.380 N#CCN1CCCCC1CC(=O)O Amb18971243 [0,1,0,1,0,0|1,0,1]=4 2787 B13R1.380 N#CNC1CCCCC1CC(=O)O Amb29870425 [0,1,0,1,0,0|1,0,1]=4 2788 B13R1.380 N#CN[C@H]1CCCC[C@H]1CC(=O)O Amb35593373 [0,1,0,1,0,0|1,0,1]=4 2789 B13R1.380 O=C(O)CN1CCCCC1CCO Amb6651199 [0,1,0,1,0,0|1,0,0]=3 2790 B13R1.486 O=C1CCCCCC(CCCO)N1 Amb18191307 [0,1,0,1,0,0|1,0,0]=3 2791 B13R1.572 C#CCCC1CCCCC1C(=O)O Amb27589249 [0,1,0,1,0,0|0,0,1]=3 2792 B13R1.572 CC#CCN1CCCCC1C(=O)O Amb18297007 [0,1,0,1,0,0|0,0,2]=4 2793 B13R1.572 CCCCC1CCCNC1C(=O)O Amb33500830 [0,1,0,1,0,0|0,0,0]=2 2794 B13R1.572 CCCCC1CCNCC1C(=O)O Amb33500858 [0,1,0,1,0,0|0,0,0]=2 2795 B13R1.572 CCCCC1CNCCC1C(=O)O Amb33500839 [0,1,0,1,0,0|0,0,0]=2 2796 B13R1.572 CCCCC1NCCCC1C(=O)O Amb33500838 [0,1,0,1,0,0|0,0,0]=2 2797 B13R1.572 CCCCN1CCCCC1C(=O)O Amb13886354 [0,1,0,1,0,0|0,0,0]=2 2798 B13R1.572 CCCCN1CCCCC1C(=O)O Amb2382770 [0,1,0,1,0,0|0,0,0]=2 2799 B13R1.572 CCCCN1CCOCC1C(=O)O Amb24271291 [0,1,0,1,0,0|1,0,0]=3 2800 B13R1.572 CCNCC1CCCCN1C(C)=O Amb21860340 [0,1,0,1,0,0|2,0,0]=4 2801 B13R1.572 C\C=C\CN1CCCCC1C(=O)O Amb9300039 [0,1,0,1,0,0|0,0,2]=4 2802 B13R1.572 N#CNCC1CCCCC1C(=O)O Amb29870420 [0,1,0,1,0,0|1,0,1]=4 2803 B13R1.578 COCCN1CCCC1CC(=O)[O-] Amb19514745 [0,1,0,1,0,0|1,0,1]=4 2804 B13R1.610 CCC1CCCCCC1CC(=O)O Amb35721706 [0,1,0,1,0,0|0,0,0]=2 2805 B13R1.610 CCC1CCCCCC1NC(C)=O Amb2227899 [0,1,0,1,0,0|1,0,0]=3 2806 B13R1.610 CCC1CCCCCN1CC(C)=O Amb28250568 [0,1,0,1,0,0|1,0,0]=3 2807 B13R1.610 CCC1CCCCCN1CC(C)O Amb27251592 [0,1,0,1,0,0|1,0,1]=4 2808 B13R1.610 CCC1CCCCC\C1=C/C(=O)O Amb35721261 [0,1,0,1,0,0|0,0,1]=3 2809 B13R1.610 CCC1CCCCC\C1=C/C(C)=O Amb35734056 [0,1,0,1,0,0|1,0,1]=4 2810 B13R1.610 CC[C@@H]1NCCCC[C@H]1CC(=O)O Amb18191310 [0,1,0,1,0,0|0,0,0]=2 2811 B13R1.610 CC[C@H]1CCCCC[C@@H]1NC(C)=O Amb27969225 [0,1,0,1,0,0|1,0,0]=3 2812 B13R1.610 COC1CCCCCC1CC(=O)O Amb18822015 [0,1,0,1,0,0|0,0,0]=2 2813 B13R1.610 COC1CCCCCC1NC(C)=O Amb28283624 [0,1,0,1,0,0|2,0,0]=4 2814 B13R1.610 CO[C@@H]1CCNCC[C@H]1CC(N)=O Amb30530058 [0,1,0,1,0,0|2,0,0]=4 2815 B13R1.610 N#CC1CCCCCC1CC(=O)O Amb29854449 [0,1,0,1,0,0|0,0,1]=3 2816 B13R1.610 NC(=O)CN1CCCCCC1CO Amb27810697 [0,1,0,1,0,0|2,0,0]=4 2817 B13R1.610 NC(=O)NC1CCCCCC1CO Amb28182914 [0,1,0,1,0,0|2,0,0]=4 2818 B13R1.614 C=CC1CCCCCCC1C(=O)O Amb27872195 [0,1,0,1,0,0|0,0,1]=3 2819 B13R1.614 CCN1CCCCCCC1C(=O)O Amb28249659 [0,1,0,1,0,0|0,0,0]=2 2820 B13R1.614 N#CN1CCCCCCC1C(=O)O Amb29870427 [0,1,0,1,0,0|1,0,1]=4 2821 B13R1.614 O=NN1CCCCCCC1C(=O)O Amb27760448 [0,1,0,1,0,0|2,0,0]=4 2822 B13R1.659 CCCCCCCCCCC1CO1 Amb6600546 [0,1,0,1,0,0|1,0,1]=4 2823 B13R1.668 CCCCCC1CCCCC1(C)O Amb32945009 [0,1,0,1,0,0|1,0,1]=4 2824 B13R1.668 CCCCC[C@@H]1CCCC[C@@]1(C)O Amb32944703 [0,1,0,1,0,0|1,0,1]=4 2825 B13R1.668 CCCOCC1CCCCC1(C)O Amb33213679 [0,1,0,1,0,0|1,0,1]=4 2826 B13R1.668 CCCOC[C@@H]1CCCC[C@@]1(C)O Amb32950926 [0,1,0,1,0,0|1,0,1]=4 2827 B13R1.668 COCCCC1CCCCC1(C)O Amb33507139 [0,1,0,1,0,0|1,0,1]=4 2828 B13R1.668 COCCC[C@@H]1CCCC[C@@]1(C)O Amb32950635 [0,1,0,1,0,0|1,0,1]=4 2829 B13R1.670 CC#CCCN1CCCC1C(=O)O Amb27602120 [0,1,0,1,0,0|0,0,2]=4 2830 B13R1.1009 O=C(O)C1CCCCCCCCN1 Amb27392275 [0,1,0,1,0,0|0,0,0]=2 2831 B13R1.1022 C=C(C)CNC1CCCCCCC1 Amb17308786 [0,1,0,1,0,0|2,0,0]=4 2832 B13R1.1022 CC(=O)\N=C\C1CCCCCCC1 Amb26953639 [0,1,0,1,0,0|1,0,1]=4 2833 B13R1.1022 C[C@H](O)CNC1CCCCCCC1 Amb28075804 [0,1,0,1,0,0|1,0,1]=4 2834 B13R1.1022 NC(=O)NNC1CCCCCCC1 Amb27848563 [0,1,0,1,0,0|2,0,0]=4 2835 B13R1.1022 NC(=O)\C=C\C1CCCCCCC1 Amb25791108 [0,1,0,1,0,0|1,0,1]=4 2836 B13R1.1022 O=C(O)CCC1CCCCCCC1 Amb27605503 [0,1,0,1,0,0|0,0,0]=2 2837 B13R1.1022 O=C(O)CCN1CCCCCCC1 Amb21955684 [0,1,0,1,0,0|0,0,0]=2 2838 B13R1.1022 O=C(O)CCN1CCCCCCC1 Amb6646779 [0,1,0,1,0,0|0,0,0]=2 2839 B13R1.1022 O=C(O)COC1C#CCCCCC1 Amb26356331 [0,1,0,1,0,0|0,0,2]=4 2840 B13R1.1022 O=C(O)COC1C=CCCCCC1 Amb27268143 [0,1,0,1,0,0|0,0,2]=4 2841 B13R1.1022 O=C(O)COC1CCC=CCCC1 Amb27444604 [0,1,0,1,0,0|0,0,2]=4 2842 B13R1.1022 O=C(O)COC1CCCCCCC1 Amb28385714 [0,1,0,1,0,0|0,0,0]=2 2843 B13R1.1022 O=C(O)\C=C\C1CCCCCCC1 Amb24397482 [0,1,0,1,0,0|0,0,1]=3 2844 B13R1.1052 O=C(O)CCCCCCCC1CC1 Amb33167110 [0,1,0,1,0,0|0,0,0]=2 2845 B13R1.1052 O=C(O)CCOCCOCC1CC1 Amb33167111 [0,1,0,1,0,0|1,0,0]=3 2846 B13R1.3435 NCCCCCN1CCC1C(N)=O Amb33195369 [0,1,0,1,0,0|2,0,0]=4 2847 B13R1.9 CCCCCCC1CCC(=O)CC1 Amb33718611 [0,1,0,1,0,0|1,0,0]=3 2848 B13R1.9 CCCCCCN1CCC(=O)CC1 Amb6384594 [0,1,0,1,0,0|2,0,0]=4 2849 B13R1.91 C#CC(=O)NC1CCCCC1CC Amb27594523 [0,1,0,1,0,0|2,0,0]=4 2850 B13R1.91 CCC1CCCCC1NC(=O)CBr Amb27179056 [0,1,0,1,0,0|2,0,0]=4 2851 B13R1.91 CCC1CCCCC1NC(=O)CS Amb27858203 [0,1,0,1,0,0|1,1,0]=4 2852 B13R1.91 CCC1CCCCC1NC(=O)NC Amb27225632 [0,1,0,1,0,0|2,0,0]=4 2853 B13R1.91 CCC1CCCCC1\C=C(\C)CO Amb27222932 [0,1,0,1,0,0|1,0,1]=4 2854 B13R1.91 CCC1CCCC\C1=C/C(=O)OC Amb27803102 [0,1,0,1,0,0|0,0,2]=4 2855 B13R1.91 CCC1CCCC\C1=C\C(=O)OC Amb33468675 [0,1,0,1,0,0|0,0,2]=4 2856 B13R1.91 COC1CCCCC1CC(=O)NN Amb23538287 [0,1,0,1,0,0|2,0,0]=4 2857 B13R1.91 CO[C@@H]1CCCC[C@H]1NC(=O)CO Amb27661677 [0,1,0,1,0,0|2,0,0]=4 2858 B13R1.91 O=C(CO)N[C@@H]1CCCC[C@H]1CO Amb28254894 [0,1,0,1,0,0|2,0,0]=4 2859 B13R1.203 CC1CCCCCCCCCC1O Amb27650320 [0,1,0,1,0,0|1,0,1]=4 2860 B13R1.203 C[C@@H]1CCCCCCCCC[C@H]1O Amb27432179 [0,1,0,1,0,0|1,0,1]=4 2861 B13R1.203 O=C1CCCCCCCCCC1O Amb28282020 [0,1,0,1,0,0|0,0,0]=2 2862 B13R1.203 O[C@@H]1CCCCCCCCC[C@H]1O Amb27970887 [0,1,0,1,0,0|0,0,2]=4 2863 B13R1.203 O[C@H]1CCCCCCCCC[C@H]1O Amb28190320 [0,1,0,1,0,0|0,0,2]=4 2864 B13R1.382 CCCC1CCCCN1C(=O)NC Amb27415066 [0,1,0,1,0,0|2,0,0]=4 2865 B13R1.382 CCCC1CCCCN1C(=O)NN Amb27410952 [0,1,0,1,0,0|2,0,0]=4 2866 B13R1.382 CCCC1CCCCN1\C(N)=N\O Amb27171820 [0,1,0,1,0,0|2,0,0]=4 2867 B13R1.382 CCCC1OCCCC1C(=O)NN Amb27757055 [0,1,0,1,0,0|2,0,0]=4 2868 B13R1.382 CCCC1OCCCC1C(=O)NO Amb27586306 [0,1,0,1,0,0|1,0,0]=3 2869 B13R1.382 NNC(=O)C1CCCCC1CCO Amb27486370 [0,1,0,1,0,0|2,0,0]=4 2870 B13R1.382 O=C(CO)N1CCCCC1CCO Amb5798105 [0,1,0,1,0,0|2,0,0]=4 2871 B13R1.527 CC1CCCCCC1NC(=O)CCl Amb27181116 [0,1,0,1,0,0|2,0,0]=4 2872 B13R1.527 CC1CCCCCC1NC(=O)CN Amb28397086 [0,1,0,1,0,0|2,0,0]=4 2873 B13R1.527 CC1CCCCCN1C\C(N)=N\O Amb28067776 [0,1,0,1,0,0|2,0,0]=4 2874 B13R1.527 CNC(=O)CN1CCCCCC1C Amb27823783 [0,1,0,1,0,0|2,0,0]=4 2875 B13R1.527 COC(=O)CC1CCCCCC1=O Amb25134202 [0,1,0,1,0,0|1,0,1]=4 2876 B13R1.527 COC(=O)CC1CCCCCC1N Amb32861898 [0,1,0,1,0,0|1,0,0]=3 2877 B13R1.527 COC(=O)CN1CCSCCC1C Amb27396675 [0,1,0,1,0,0|2,0,0]=4 2878 B13R1.527 COC(=O)NC1CCCCCC1O Amb27810523 [0,1,0,1,0,0|2,0,0]=4 2879 B13R1.527 COC(=O)\C=C1\CCCCCC1C Amb35721700 [0,1,0,1,0,0|0,0,2]=4 2880 B13R1.528 CC1CCCCC1CNC(=O)NN Amb19058079 [0,1,0,1,0,0|2,0,0]=4 2881 B13R1.528 CC1COCCN1CCC(=O)NO Amb27853389 [0,1,0,1,0,0|2,0,0]=4 2882 B13R1.528 CN1CCCCC1CC\C(N)=N\O Amb27172574 [0,1,0,1,0,0|2,0,0]=4 2883 B13R1.528 CNC(=O)CCC1CCCCC1N Amb27859013 [0,1,0,1,0,0|2,0,0]=4 2884 B13R1.528 CNC(=O)COC1CCCCC1C Amb25883056 [0,1,0,1,0,0|2,0,0]=4 2885 B13R1.528 COC(=O)CCC1CCCCC1=O Amb576431 [0,1,0,1,0,0|1,0,1]=4 2886 B13R1.528 COC(=O)CCC1CCCCC1N Amb33726906 [0,1,0,1,0,0|1,0,0]=3 2887 B13R1.528 COC(=O)CCC1CCNCC1C Amb33747347 [0,1,0,1,0,0|1,0,0]=3 2888 B13R1.528 COC(=O)CCN1CCCCC1C Amb7755661 [0,1,0,1,0,0|1,0,0]=3 2889 B13R1.528 COC(=O)CCN1CCNCC1C Amb19028082 [0,1,0,1,0,0|2,0,0]=4 2890 B13R1.528 COC(=O)CCN1CCNCC1C Amb33291370 [0,1,0,1,0,0|2,0,0]=4 2891 B13R1.528 COC(=O)COC1CCCCC1C Amb9206376 [0,1,0,1,0,0|1,0,0]=3 2892 B13R1.528 COC(=O)NCC1CCCCC1C Amb28351017 [0,1,0,1,0,0|1,0,0]=3 2893 B13R1.528 COC(=O)NCC1CCCCN1C Amb27415034 [0,1,0,1,0,0|2,0,0]=4 2894 B13R1.528 COC(=O)NCC1CCOCC1C Amb27599129 [0,1,0,1,0,0|2,0,0]=4 2895 B13R1.528 COC(=O)NCC1NCCCC1C Amb27394523 [0,1,0,1,0,0|2,0,0]=4 2896 B13R1.536 COC(=O)CCNCC1CCCO1 Amb9024181 [0,1,0,1,0,0|2,0,0]=4 2897 B13R1.536 COC(=O)CCOCC1CCNC1 Amb21957248 [0,1,0,1,0,0|2,0,0]=4 2898 B13R1.536 COC(=O)CCSCC1CCCN1 Amb22395581 [0,1,0,1,0,0|2,0,0]=4 2899 B13R1.536 COC(=O)CCSCC1CCCN1 Amb35746836 [0,1,0,1,0,0|2,0,0]=4 2900 B13R1.539 COC(=O)CCCCOC1CNC1 Amb32941602 [0,1,0,1,0,0|2,0,0]=4 2901 B13R1.546 C=C(CO)C1CCCCCCC1O Amb27980544 [0,1,0,1,0,0|2,0,0]=4 2902 B13R1.546 C=C(CO)[C@H]1CCCCCC[C@@H]1O Amb27452361 [0,1,0,1,0,0|2,0,0]=4 2903 B13R1.546 C=C(CO)[C@H]1CCCCCC[C@H]1O Amb27652951 [0,1,0,1,0,0|2,0,0]=4 2904 B13R1.546 COC(=O)C1CCCCCCC1=O Amb22270247 [0,1,0,1,0,0|1,0,1]=4 2905 B13R1.546 COC(=O)C1CCCCCCC1N Amb20668749 [0,1,0,1,0,0|1,0,0]=3 2906 B13R1.546 COC(=O)C1CCCCCCC1N Amb25114777 [0,1,0,1,0,0|1,0,0]=3 2907 B13R1.546 COC(=O)C1CCCCCC[C@@H]1O Amb27593953 [0,1,0,1,0,0|1,0,0]=3 2908 B13R1.546 COC(=O)[C@@H]1CCCCCC[C@@H]1N Amb25932755 [0,1,0,1,0,0|1,0,0]=3 2909 B13R1.546 COC(=O)[C@@H]1CCCCCC[C@@H]1N Amb32651799 [0,1,0,1,0,0|1,0,0]=3 2910 B13R1.611 C=CC(=O)N1CCCCCC1CC Amb27759697 [0,1,0,1,0,0|2,0,0]=4 2911 B13R1.611 CCC(=O)C1CCCCCC1CC Amb35725694 [0,1,0,1,0,0|1,0,0]=3 2912 B13R1.611 CCC(O)C1CCCCCC1CC Amb35672752 [0,1,0,1,0,0|1,0,1]=4 2913 B13R1.611 CCN1CCCCCC1C(=O)OC Amb27823899 [0,1,0,1,0,0|1,0,0]=3 2914 B13R1.611 CCN1CCCNCC1C(=O)OC Amb28132094 [0,1,0,1,0,0|2,0,0]=4 2915 B13R1.611 CNC1CCCCCC1C(=O)OC Amb28282320 [0,1,0,1,0,0|1,0,0]=3 2916 B13R1.611 COC(=O)N1CCCCCC1CO Amb27415029 [0,1,0,1,0,0|2,0,0]=4 2917 B13R1.623 COC1=NCCCCCCCCC1 Amb33621275 [0,1,0,1,0,0|1,0,0]=3 2918 B13R1.623 OCC1CCCCCCCCCC1 Amb27259064 [0,1,0,1,0,0|1,0,1]=4 2919 B13R1.718 C#CC(=O)NCCC1CCCCC1 Amb28249420 [0,1,0,1,0,0|2,0,0]=4 2920 B13R1.718 COC(=O)C#CCC1CCCCC1 Amb27798236 [0,1,0,1,0,0|0,0,2]=4 2921 B13R1.718 COC(=O)CCCC1CCCCN1 Amb33746927 [0,1,0,1,0,0|1,0,0]=3 2922 B13R1.718 COC(=O)CCCN1CCCCC1 Amb22235542 [0,1,0,1,0,0|1,0,0]=3 2923 B13R1.718 COC(=O)CCCN1CCCCC1 Amb8455430 [0,1,0,1,0,0|1,0,0]=3 2924 B13R1.718 COC(=O)CCCN1CCNCC1 Amb8960799 [0,1,0,1,0,0|2,0,0]=4 2925 B13R1.718 COC(=O)CCCN1CCOCC1 Amb8455435 [0,1,0,1,0,0|2,0,0]=4 2926 B13R1.718 COC(=O)CCNC1CCCCC1 Amb9203454 [0,1,0,1,0,0|1,0,0]=3 2927 B13R1.718 COC(=O)CCNC1CCOCC1 Amb9472630 [0,1,0,1,0,0|2,0,0]=4 2928 B13R1.718 COC(=O)CCOC1CCCCC1 Amb9206350 [0,1,0,1,0,0|1,0,0]=3 2929 B13R1.718 COC(=O)CCOC1CCNCC1 Amb21957742 [0,1,0,1,0,0|2,0,0]=4 2930 B13R1.718 COC(=O)CCOC1CCNCC1 Amb31297732 [0,1,0,1,0,0|2,0,0]=4 2931 B13R1.718 COC(=O)CCSC1CCNCC1 Amb22395536 [0,1,0,1,0,0|2,0,0]=4 2932 B13R1.718 COC(=O)CCSC1CCNCC1 Amb35745554 [0,1,0,1,0,0|2,0,0]=4 2933 B13R1.718 COC(=O)COCC1CCCNC1 Amb32645722 [0,1,0,1,0,0|2,0,0]=4 2934 B13R1.718 COC(=O)COCC1CCCNC1 Amb33330197 [0,1,0,1,0,0|2,0,0]=4 2935 B13R1.718 COC(=O)COCC1CCNCC1 Amb35749673 [0,1,0,1,0,0|2,0,0]=4 2936 B13R1.718 COC(=O)COCC1CCNCC1 Amb35751379 [0,1,0,1,0,0|2,0,0]=4 2937 B13R1.718 COC(=O)CSCC1CCCCN1 Amb22395629 [0,1,0,1,0,0|2,0,0]=4 2938 B13R1.718 COC(=O)CSCC1CCCNC1 Amb22395608 [0,1,0,1,0,0|2,0,0]=4 2939 B13R1.718 COC(=O)CSCC1CCNCC1 Amb22395592 [0,1,0,1,0,0|2,0,0]=4 2940 B13R1.718 COC(=O)NCCC1CCCCN1 Amb6668912 [0,1,0,1,0,0|2,0,0]=4 2941 B13R1.718 NNC(=O)CCCN1CCCCC1 Amb8455553 [0,1,0,1,0,0|2,0,0]=4 2942 B13R1.718 N\C(CCCN1CCCCC1)=N/O Amb6262605 [0,1,0,1,0,0|2,0,0]=4 2943 B13R1.718 N\C(CCCN1CCCCC1)=N\O Amb589652 [0,1,0,1,0,0|2,0,0]=4 2944 B13R1.718 N\C(CCNC1CCCCC1)=N\O Amb19981290 [0,1,0,1,0,0|2,0,0]=4 2945 B13R1.718 O=C(CBr)NCCC1CCCCC1 Amb17330356 [0,1,0,1,0,0|2,0,0]=4 2946 B13R1.718 O=C(CCl)NCCC1CCCCC1 Amb17325960 [0,1,0,1,0,0|2,0,0]=4 2947 B13R1.1689 C#CC(=O)N1CCCCCCCC1 Amb29888608 [0,1,0,1,0,0|2,0,0]=4 2948 B13R1.1689 C=CC(=O)N1CCCCCCCC1 Amb25878803 [0,1,0,1,0,0|2,0,0]=4 2949 B13R1.1689 COC(=O)C1CCCCCNCC1 Amb28141756 [0,1,0,1,0,0|1,0,0]=3 2950 B13R1.1689 NCC(O)C1CCCCCCCC1 Amb27598067 [0,1,0,1,0,0|1,0,1]=4 2951 B13R1.1711 C#CC(=O)NCC1CCCCCC1 Amb35614242 [0,1,0,1,0,0|2,0,0]=4 2952 B13R1.1711 CCC(=O)NCC1CCCCCC1 Amb28193192 [0,1,0,1,0,0|2,0,0]=4 2953 B13R1.1711 COC(=O)C#CC1CCCCCC1 Amb25278204 [0,1,0,1,0,0|0,0,2]=4 2954 B13R1.1711 COC(=O)CCN1CCCCCC1 Amb843107 [0,1,0,1,0,0|1,0,0]=3 2955 B13R1.1711 COC(=O)NCC1CCCCNC1 Amb27828396 [0,1,0,1,0,0|2,0,0]=4 2956 B13R1.1711 COC(=O)NCC1CCCSCC1 Amb30030719 [0,1,0,1,0,0|2,0,0]=4 2957 B13R1.1711 NNC(=O)CCN1CCCCCC1 Amb1152580 [0,1,0,1,0,0|2,0,0]=4 2958 B13R1.1711 NNC(=O)NCC1CCCCCC1 Amb27964801 [0,1,0,1,0,0|2,0,0]=4 2959 B13R1.1711 N\C(=N/O)NCC1CCCCCC1 Amb28286512 [0,1,0,1,0,0|2,0,0]=4 2960 B13R1.1711 N\C(CNC1CCCCCC1)=N/O Amb27810616 [0,1,0,1,0,0|2,0,0]=4 2961 B13R1.1711 O=C(CBr)NCC1CCCCCC1 Amb28286509 [0,1,0,1,0,0|2,0,0]=4 2962 B13R1.1711 O=C(CO)CC=C1CCCCCC1 Amb22363899 [0,1,0,1,0,0|0,0,2]=4 2963 B13R1.1711 O=C(CS)NCC1CCCCCC1 Amb28067183 [0,1,0,1,0,0|1,1,0]=4 2964 B13R1.1870 C#CC(=O)NC1CCCCCCC1 Amb27765680 [0,1,0,1,0,0|2,0,0]=4 2965 B13R1.1870 C=CC(=O)NC1CCCCCCC1 Amb9480537 [0,1,0,1,0,0|2,0,0]=4 2966 B13R1.1870 CCC(=O)CN1CCCCCCC1 Amb19074506 [0,1,0,1,0,0|2,0,0]=4 2967 B13R1.1870 CCC(=O)NC1CCCCCCC1 Amb5797475 [0,1,0,1,0,0|2,0,0]=4 2968 B13R1.1870 CCC(=O)OC1CCCCCCC1 Amb27605036 [0,1,0,1,0,0|2,0,0]=4 2969 B13R1.1870 CNC(=O)NC1CCCCCCC1 Amb27793309 [0,1,0,1,0,0|2,0,0]=4 2970 B13R1.1870 COC(=O)C=C1CCCCCCC1 Amb25180453 [0,1,0,1,0,0|0,0,2]=4 2971 B13R1.1870 COC(=O)CC1CCCCCCN1 Amb33356231 [0,1,0,1,0,0|1,0,0]=3 2972 B13R1.1870 COC(=O)CN1CCCCCCC1 Amb7761444 [0,1,0,1,0,0|1,0,0]=3 2973 B13R1.1870 COC(=O)NC1CCCCCCC1 Amb17739564 [0,1,0,1,0,0|1,0,0]=3 2974 B13R1.1870 COC(=O)OC1CCCCCCC1 Amb25782061 [0,1,0,1,0,0|1,0,0]=3 2975 B13R1.1870 C\C(C=O)=C/C1CCCCCCC1 Amb27586948 [0,1,0,1,0,0|1,0,1]=4 2976 B13R1.1870 NNC(=O)CN1CCCCCCC1 Amb27236769 [0,1,0,1,0,0|2,0,0]=4 2977 B13R1.1870 N\C(CN1CCCCCCC1)=N/O Amb6750434 [0,1,0,1,0,0|2,0,0]=4 2978 B13R1.1870 O=C(CBr)NC1CCCCCCC1 Amb27480675 [0,1,0,1,0,0|2,0,0]=4 2979 B13R1.1870 O=C(CCl)NC1CCCCCCC1 Amb1150245 [0,1,0,1,0,0|2,0,0]=4 2980 B13R1.1870 O=C(CO)NC1CCCCCCC1 Amb5798096 [0,1,0,1,0,0|1,0,0]=3 2981 B13R1.1870 O=C(CO)OC1CCCCCCC1 Amb28249413 [0,1,0,1,0,0|1,0,0]=3 2982 B13R1.3115 NC1(CO)CCCCCCCCC1 Amb27394230 [0,1,0,1,0,0|1,0,1]=4 2983 B13R1.3115 NCC1(O)CCCCCCCCC1 Amb25743744 [0,1,0,1,0,0|1,0,1]=4 2984 B13R1.89 C=C(C)C(O)C1CCCCC1CC Amb28344240 [0,1,0,1,0,0|2,0,0]=4 2985 B13R1.89 CC(C(=O)O)C1CCCCC1C#N Amb35703546 [0,1,0,1,0,0|1,0,1]=4 2986 B13R1.89 CCC1CCCCC1C(=O)C(=O)O Amb27786999 [0,1,0,1,0,0|0,0,1]=3 2987 B13R1.89 CCC1CCCCC1C(F)C(=O)O Amb28282175 [0,1,0,1,0,0|0,0,0]=2 2988 B13R1.89 CCC1CCCCC1C(N)C(N)=O Amb25900285 [0,1,0,1,0,0|1,0,0]=3 2989 B13R1.89 CCC1CCCCC1N(C)C(N)=O Amb28190181 [0,1,0,1,0,0|2,0,0]=4 2990 B13R1.89 CCC1CCCCC1[C@@H](N)C(=O)O Amb26350175 [0,1,0,1,0,0|0,0,0]=2 2991 B13R1.89 CCC1CCCCC1[C@H](N)C(=O)O Amb28136297 [0,1,0,1,0,0|0,0,0]=2 2992 B13R1.89 CCC1CCCCN1C(=O)C(=O)O Amb9304054 [0,1,0,1,0,0|1,0,1]=4 2993 B13R1.89 CCC1CCCCN1C(C)C(N)=O Amb17143004 [0,1,0,1,0,0|2,0,0]=4 2994 B13R1.89 COC1CCCCC1C(N)C(N)=O Amb26591826 [0,1,0,1,0,0|2,0,0]=4 2995 B13R1.89 COC1CCCCC1C(O)C(=O)O Amb27628233 [0,1,0,1,0,0|1,0,0]=3 2996 B13R1.89 COC1CCCCC1[C@@H](N)C(=O)O Amb26615055 [0,1,0,1,0,0|1,0,0]=3 2997 B13R1.89 COC1CCCCC1[C@H](N)C(=O)O Amb24462349 [0,1,0,1,0,0|1,0,0]=3 2998 B13R1.89 COC1COCCC1C(F)C(=O)O Amb28071953 [0,1,0,1,0,0|2,0,0]=4 2999 B13R1.89 COC1COCCC1C(N)C(=O)O Amb29892506 [0,1,0,1,0,0|2,0,0]=4 3000 B13R1.89 N#CC1CCCCC1C(N)C(=O)O Amb33066202 [0,1,0,1,0,0|1,0,1]=4 3001 B13R1.89 N#CC1CCCCC1[C@@H](N)C(=O)O Amb32867922 [0,1,0,1,0,0|1,0,1]=4 3002 B13R1.89 N#CC1CCCCC1[C@H](N)C(=O)O Amb33065602 [0,1,0,1,0,0|1,0,1]=4 3003 B13R1.169 CC(CCC1CCCN1C)C(=O)O Amb33323149 [0,1,0,1,0,0|1,0,0]=3 3004 B13R1.169 CC(CCC1CCOC1C)C(=O)O Amb33426814 [0,1,0,1,0,0|1,0,0]=3 3005 B13R1.169 CN1CCCC1CCC(=O)C(=O)O Amb33321405 [0,1,0,1,0,0|1,0,1]=4 3006 B13R1.169 CN1CCCC1CCC(N)C(=O)O Amb33309174 [0,1,0,1,0,0|1,0,0]=3 3007 B13R1.169 CN1CCCC1CCC(N)C(N)=O Amb33035591 [0,1,0,1,0,0|2,0,0]=4 3008 B13R1.169 CN1CCCC1CCC(O)C(=O)O Amb33321391 [0,1,0,1,0,0|1,0,0]=3 3009 B13R1.169 CN1CCCC1CC[C@@H](N)C(=O)O Amb33066248 [0,1,0,1,0,0|1,0,0]=3 3010 B13R1.169 CN1CCCC1CC[C@H](N)C(=O)O Amb33127549 [0,1,0,1,0,0|1,0,0]=3 3011 B13R1.169 NC(CCC1CCCC1=O)C(=O)O Amb33036960 [0,1,0,1,0,0|1,0,1]=4 3012 B13R1.169 N[C@@H](CCC1CCCC1=O)C(=O)O Amb33065900 [0,1,0,1,0,0|1,0,1]=4 3013 B13R1.169 N[C@H](CCC1CCCC1=O)C(=O)O Amb33065680 [0,1,0,1,0,0|1,0,1]=4 3014 B13R1.202 CC(CC1CCCCN1C)C(=O)O Amb33323479 [0,1,0,1,0,0|1,0,0]=3 3015 B13R1.202 CC(CN1CCCCC1C)C(=O)O Amb9400671 [0,1,0,1,0,0|1,0,0]=3 3016 B13R1.202 CC(CN1CCNC[C@@H]1C)C(=O)O Amb27259984 [0,1,0,1,0,0|2,0,0]=4 3017 B13R1.202 CC(OC1CCCCC1N)C(=O)O Amb24464563 [0,1,0,1,0,0|2,0,0]=4 3018 B13R1.202 CC(SC1CCCCC1O)C(=O)O Amb27973436 [0,1,0,1,0,0|2,0,0]=4 3019 B13R1.202 CC1CCCCC1CC(=O)C(=O)O Amb27645540 [0,1,0,1,0,0|0,0,1]=3 3020 B13R1.202 CC1CCCCC1CC(O)C(=O)O Amb33353338 [0,1,0,1,0,0|0,0,0]=2 3021 B13R1.202 CC1CCCCC1C[C@H](N)C(=O)O Amb27964783 [0,1,0,1,0,0|0,0,0]=2 3022 B13R1.202 CC1CCCCC1N[C@H](C)C(=O)O Amb27979612 [0,1,0,1,0,0|1,0,0]=3 3023 B13R1.202 CC1CCCCN1CC(N)C(N)=O Amb18294520 [0,1,0,1,0,0|2,0,0]=4 3024 B13R1.202 CC1CNCCC1N[C@@H](C)C(=O)O Amb28288527 [0,1,0,1,0,0|2,0,0]=4 3025 B13R1.202 CC1COCCC1N[C@H](C)C(=O)O Amb27257076 [0,1,0,1,0,0|2,0,0]=4 3026 B13R1.202 CC1COCCN1CC(N)C(=O)O Amb18981878 [0,1,0,1,0,0|2,0,0]=4 3027 B13R1.202 CC1CSCCN1CC(N)C(=O)O Amb27841868 [0,1,0,1,0,0|2,0,0]=4 3028 B13R1.202 CC1SCCCC1N[C@@H](C)C(=O)O Amb27832357 [0,1,0,1,0,0|2,0,0]=4 3029 B13R1.202 CN1CCCCC1CC(=O)C(=O)O Amb33323470 [0,1,0,1,0,0|1,0,1]=4 3030 B13R1.202 CN1CCCCC1CC(N)C(=O)O Amb33309018 [0,1,0,1,0,0|1,0,0]=3 3031 B13R1.202 CN1CCCCC1CC(N)C(N)=O Amb33036451 [0,1,0,1,0,0|2,0,0]=4 3032 B13R1.202 CN1CCCCC1CC(O)C(=O)O Amb33323461 [0,1,0,1,0,0|1,0,0]=3 3033 B13R1.202 CN1CCCCC1C[C@@H](N)C(=O)O Amb33066240 [0,1,0,1,0,0|1,0,0]=3 3034 B13R1.202 CN1CCCCC1C[C@H](N)C(=O)O Amb33065679 [0,1,0,1,0,0|1,0,0]=3 3035 B13R1.202 NC(=O)C(N)CC1CCCCC1O Amb33037026 [0,1,0,1,0,0|2,0,0]=4 3036 B13R1.202 NC(CC1CCCCC1O)C(=O)O Amb33066186 [0,1,0,1,0,0|1,0,0]=3 3037 B13R1.202 N[C@@H](CC1CCCCC1=O)C(=O)O Amb27179110 [0,1,0,1,0,0|1,0,1]=4 3038 B13R1.202 N[C@@H](CC1CCCCC1O)C(=O)O Amb33065863 [0,1,0,1,0,0|1,0,0]=3 3039 B13R1.202 N[C@H](CC1CCCCC1O)C(=O)O Amb33065423 [0,1,0,1,0,0|1,0,0]=3 3040 B13R1.351 CC(CCC1CC=CCC1)C(=O)O Amb32954134 [0,1,0,1,0,0|0,0,2]=4 3041 B13R1.351 CC(CCC1CCCCC1)C(=O)O Amb33449274 [0,1,0,1,0,0|0,0,0]=2 3042 B13R1.351 CC(CCC1CCCCO1)C(=O)O Amb33377394 [0,1,0,1,0,0|1,0,0]=3 3043 B13R1.351 CC(CCC1CCCOC1)C(=O)O Amb33323169 [0,1,0,1,0,0|1,0,0]=3 3044 B13R1.351 CC(CCC1CCCSC1)C(=O)O Amb32726173 [0,1,0,1,0,0|1,0,0]=3 3045 B13R1.351 CC(CCC1CCOCC1)C(=O)O Amb33080038 [0,1,0,1,0,0|1,0,0]=3 3046 B13R1.351 CC(CCN1CCOCC1)C(=O)O Amb32685800 [0,1,0,1,0,0|2,0,0]=4 3047 B13R1.351 CC(CNC1CCCCC1)C(=O)O Amb9400300 [0,1,0,1,0,0|1,0,0]=3 3048 B13R1.351 CC(CNC1CCCCC1)C(N)=O Amb8944555 [0,1,0,1,0,0|2,0,0]=4 3049 B13R1.351 CC(NCC1CCCCC1)C(=O)O Amb9326921 [0,1,0,1,0,0|1,0,0]=3 3050 B13R1.351 CC(O)C(C)CCC1CCCCC1 Amb32944282 [0,1,0,1,0,0|1,0,1]=4 3051 B13R1.351 CC(OCC1CCCCO1)C(=O)O Amb9729171 [0,1,0,1,0,0|2,0,0]=4 3052 B13R1.351 C[C@@H](CCC1CCCCC1)C(=O)O Amb33729748 [0,1,0,1,0,0|0,0,0]=2 3053 B13R1.351 C[C@@H](CCC1CCOCC1)C(=O)O Amb33745937 [0,1,0,1,0,0|1,0,0]=3 3054 B13R1.351 C[C@H](CCC1CCCCC1)C(=O)O Amb33727422 [0,1,0,1,0,0|0,0,0]=2 3055 B13R1.351 C[C@H](CCC1CCOCC1)C(=O)O Amb33728214 [0,1,0,1,0,0|1,0,0]=3 3056 B13R1.351 C\C(=C/CC1CCCCC1)C(=O)O Amb28367524 [0,1,0,1,0,0|0,0,2]=4 3057 B13R1.351 NC(=O)C(N)CCC1CCCCC1 Amb33069939 [0,1,0,1,0,0|1,0,0]=3 3058 B13R1.351 NC(=O)C(N)CCC1CCCCO1 Amb33065463 [0,1,0,1,0,0|2,0,0]=4 3059 B13R1.351 NC(=O)C(N)CCC1CCOCC1 Amb32937045 [0,1,0,1,0,0|2,0,0]=4 3060 B13R1.351 NC(=O)C(N)CCN1CCCCC1 Amb19036808 [0,1,0,1,0,0|2,0,0]=4 3061 B13R1.351 NC(=O)C(N)COC1CCCCC1 Amb18319290 [0,1,0,1,0,0|2,0,0]=4 3062 B13R1.351 NC(CCC1=CCCCC1)C(=O)O Amb33036995 [0,1,0,1,0,0|0,0,2]=4 3063 B13R1.351 NC(CCC1CCCCC1)C(=O)O Amb32867914 [0,1,0,1,0,0|0,0,0]=2 3064 B13R1.351 NC(CCC1CCCCO1)C(=O)O Amb33308598 [0,1,0,1,0,0|1,0,0]=3 3065 B13R1.351 NC(CCC1CCOCC1)C(=O)O Amb33066300 [0,1,0,1,0,0|1,0,0]=3 3066 B13R1.351 NC(CCN1CCCCC1)C(=O)O Amb19036809 [0,1,0,1,0,0|1,0,0]=3 3067 B13R1.351 NC(CCN1CCNCC1)C(=O)O Amb33228458 [0,1,0,1,0,0|2,0,0]=4 3068 B13R1.351 NC(CCN1CCOCC1)C(=O)O Amb6673278 [0,1,0,1,0,0|2,0,0]=4 3069 B13R1.351 NC(CCN1CCSCC1)C(=O)O Amb33065643 [0,1,0,1,0,0|2,0,0]=4 3070 B13R1.351 NC(COC1CCCCC1)C(=O)O Amb19046442 [0,1,0,1,0,0|1,0,0]=3 3071 B13R1.351 NC(COC1CCCOC1)C(=O)O Amb33036849 [0,1,0,1,0,0|2,0,0]=4 3072 B13R1.351 NC(COC1CCOCC1)C(=O)O Amb19047353 [0,1,0,1,0,0|2,0,0]=4 3073 B13R1.351 NC(CSC1CCCCO1)C(=O)O Amb4148723 [0,1,0,1,0,0|2,0,0]=4 3074 B13R1.351 N[C@@H](CCC1=CCCCC1)C(=O)O Amb33036866 [0,1,0,1,0,0|0,0,2]=4 3075 B13R1.351 N[C@@H](CCC1CCCCC1)C(=O)O Amb30594707 [0,1,0,1,0,0|0,0,0]=2 3076 B13R1.351 N[C@@H](CCC1CCCCO1)C(=O)O Amb33308886 [0,1,0,1,0,0|1,0,0]=3 3077 B13R1.351 N[C@@H](CCC1CCOCC1)C(=O)O Amb33036604 [0,1,0,1,0,0|1,0,0]=3 3078 B13R1.351 N[C@@H](CCN1CCCCC1)C(=O)O Amb33066105 [0,1,0,1,0,0|1,0,0]=3 3079 B13R1.351 N[C@@H](CCN1CCOCC1)C(=O)O Amb33036614 [0,1,0,1,0,0|2,0,0]=4 3080 B13R1.351 N[C@@H](CCN1CCSCC1)C(=O)O Amb33309219 [0,1,0,1,0,0|2,0,0]=4 3081 B13R1.351 N[C@@H](COC1CCCCC1)C(=O)O Amb33065709 [0,1,0,1,0,0|1,0,0]=3 3082 B13R1.351 N[C@@H](COC1CCCCC1)C(=O)O Amb33743732 [0,1,0,1,0,0|1,0,0]=3 3083 B13R1.351 N[C@@H](COC1CCCOC1)C(=O)O Amb33066117 [0,1,0,1,0,0|2,0,0]=4 3084 B13R1.351 N[C@@H](COC1CCOCC1)C(=O)O Amb33066018 [0,1,0,1,0,0|2,0,0]=4 3085 B13R1.351 N[C@@H](COC1CCOCC1)C(=O)O Amb35789395 [0,1,0,1,0,0|2,0,0]=4 3086 B13R1.351 N[C@H](CCC1=CCCCC1)C(=O)O Amb33034704 [0,1,0,1,0,0|0,0,2]=4 3087 B13R1.351 N[C@H](CCC1CCCCC1)C(=O)O Amb33308683 [0,1,0,1,0,0|0,0,0]=2 3088 B13R1.351 N[C@H](CCC1CCCCO1)C(=O)O Amb33309040 [0,1,0,1,0,0|1,0,0]=3 3089 B13R1.351 N[C@H](CCC1CCOCC1)C(=O)O Amb33065725 [0,1,0,1,0,0|1,0,0]=3 3090 B13R1.351 N[C@H](CCN1CCCCC1)C(=O)O Amb32698173 [0,1,0,1,0,0|1,0,0]=3 3091 B13R1.351 N[C@H](CCN1CCNCC1)C(=O)O Amb32698164 [0,1,0,1,0,0|2,0,0]=4 3092 B13R1.351 N[C@H](CCN1CCOCC1)C(=O)O Amb32698152 [0,1,0,1,0,0|2,0,0]=4 3093 B13R1.351 N[C@H](CCN1CCSCC1)C(=O)O Amb33036476 [0,1,0,1,0,0|2,0,0]=4 3094 B13R1.351 N[C@H](COC1CCCCC1)C(=O)O Amb32789414 [0,1,0,1,0,0|1,0,0]=3 3095 B13R1.351 N[C@H](COC1CCCOC1)C(=O)O Amb33065503 [0,1,0,1,0,0|2,0,0]=4 3096 B13R1.351 N[C@H](COC1CCOCC1)C(=O)O Amb33065762 [0,1,0,1,0,0|2,0,0]=4 3097 B13R1.351 O=C(O)C(=O)CCC1CCCCC1 Amb33079594 [0,1,0,1,0,0|0,0,1]=3 3098 B13R1.351 O=C(O)C(O)CCC1CCCCC1 Amb18649400 [0,1,0,1,0,0|0,0,0]=2 3099 B13R1.351 O=C(O)C(O)CCN1CCOCC1 Amb33358742 [0,1,0,1,0,0|2,0,0]=4 3100 B13R1.351 O=C(O)\C(F)=C\CC1CCCCC1 Amb27221422 [0,1,0,1,0,0|0,0,2]=4 3101 B13R1.1097 CC1(C(=O)O)CCCCCCCC1 Amb28193430 [0,1,0,1,0,0|0,0,0]=2 3102 B13R1.1097 NC1(C(=O)O)CCCCCCCC1 Amb27256620 [0,1,0,1,0,0|0,0,0]=2 3103 B13R1.1110 CC(CCCC1CCCC1)C(=O)O Amb33481728 [0,1,0,1,0,0|0,0,0]=2 3104 B13R1.1110 CC(CCCN1CCCC1)C(=O)O Amb33429936 [0,1,0,1,0,0|1,0,0]=3 3105 B13R1.1110 CC(CNCC1CCCO1)C(=O)O Amb9400523 [0,1,0,1,0,0|2,0,0]=4 3106 B13R1.1110 CC(NCCN1CCCC1)C(=O)O Amb33741529 [0,1,0,1,0,0|2,0,0]=4 3107 B13R1.1110 CC(NCCN1CCCC1)C(=O)O Amb9327089 [0,1,0,1,0,0|2,0,0]=4 3108 B13R1.1110 CC(SCCN1CCCC1)C(=O)O Amb6745702 [0,1,0,1,0,0|2,0,0]=4 3109 B13R1.1110 NC(=O)C(N)CCCC1CCCO1 Amb33066035 [0,1,0,1,0,0|2,0,0]=4 3110 B13R1.1110 NC(=O)C(N)CCCC1CCOC1 Amb33065832 [0,1,0,1,0,0|2,0,0]=4 3111 B13R1.1110 NC(=O)C(N)CCCN1CCCC1 Amb33127552 [0,1,0,1,0,0|2,0,0]=4 3112 B13R1.1110 NC(=O)C(N)CCOC1CCCC1 Amb18319326 [0,1,0,1,0,0|2,0,0]=4 3113 B13R1.1110 NC(CCCC1CCCC1)C(=O)O Amb33374920 [0,1,0,1,0,0|0,0,0]=2 3114 B13R1.1110 NC(CCCC1CCCO1)C(=O)O Amb33036602 [0,1,0,1,0,0|1,0,0]=3 3115 B13R1.1110 NC(CCCC1CCOC1)C(=O)O Amb33308994 [0,1,0,1,0,0|1,0,0]=3 3116 B13R1.1110 NC(CCCN1CCCC1)C(=O)O Amb18323623 [0,1,0,1,0,0|1,0,0]=3 3117 B13R1.1110 NC(CCOC1CCCC1)C(=O)O Amb18319496 [0,1,0,1,0,0|1,0,0]=3 3118 B13R1.1110 NC(CCOC1CCOC1)C(=O)O Amb33065906 [0,1,0,1,0,0|2,0,0]=4 3119 B13R1.1110 N[C@@H](CCCC1CCCO1)C(=O)O Amb33036792 [0,1,0,1,0,0|1,0,0]=3 3120 B13R1.1110 N[C@@H](CCCC1CCOC1)C(=O)O Amb33036130 [0,1,0,1,0,0|1,0,0]=3 3121 B13R1.1110 N[C@@H](CCCC1OCCO1)C(=O)O Amb24088871 [0,1,0,1,0,0|2,0,0]=4 3122 B13R1.1110 N[C@@H](CCCN1CCCC1)C(=O)O Amb33065648 [0,1,0,1,0,0|1,0,0]=3 3123 B13R1.1110 N[C@@H](CCOC1CCCC1)C(=O)O Amb33308856 [0,1,0,1,0,0|1,0,0]=3 3124 B13R1.1110 N[C@@H](CCOC1CCOC1)C(=O)O Amb33066221 [0,1,0,1,0,0|2,0,0]=4 3125 B13R1.1110 N[C@H](CCCC1CCCO1)C(=O)O Amb33036513 [0,1,0,1,0,0|1,0,0]=3 3126 B13R1.1110 N[C@H](CCCC1CCOC1)C(=O)O Amb33065744 [0,1,0,1,0,0|1,0,0]=3 3127 B13R1.1110 N[C@H](CCCC1OCCO1)C(=O)O Amb27230615 [0,1,0,1,0,0|2,0,0]=4 3128 B13R1.1110 N[C@H](CCCN1CCCC1)C(=O)O Amb33066086 [0,1,0,1,0,0|1,0,0]=3 3129 B13R1.1110 N[C@H](CCOC1CCCC1)C(=O)O Amb32796901 [0,1,0,1,0,0|1,0,0]=3 3130 B13R1.1110 N[C@H](CCOC1CCOC1)C(=O)O Amb33308545 [0,1,0,1,0,0|2,0,0]=4 3131 B13R1.1110 O=C(O)C(=O)CCCC1CCCC1 Amb33481441 [0,1,0,1,0,0|0,0,1]=3 3132 B13R1.1110 O=C(O)C(=O)CCCN1CCCC1 Amb33424660 [0,1,0,1,0,0|1,0,1]=4 3133 B13R1.1110 O=C(O)C(O)CCCC1CCCC1 Amb33374586 [0,1,0,1,0,0|0,0,0]=2 3134 B13R1.1110 O=C(O)C(O)CCCN1CCCC1 Amb33448111 [0,1,0,1,0,0|1,0,0]=3 3135 B13R1.1232 CCCCCC[C@@H]1C[C@@]1(C)C(=O)O Amb33098437 [0,1,0,1,0,0|0,0,0]=2 3136 B13R1.1232 CCCCCC[C@H]1C[C@@]1(C)C(=O)O Amb33098411 [0,1,0,1,0,0|0,0,0]=2 3137 B13R1.1267 CC1(C(=O)O)CCCCC1CCO Amb28341692 [0,1,0,1,0,0|1,0,0]=3 3138 B13R1.1267 CCCC1=CCCCC1(C)C(=O)O Amb27592099 [0,1,0,1,0,0|0,0,2]=4 3139 B13R1.1267 CCCC1CCCCC1(N)C(=O)O Amb28385663 [0,1,0,1,0,0|0,0,0]=2 3140 B13R1.1267 CCCN1CCCCC1(C)C(=O)O Amb27749862 [0,1,0,1,0,0|1,0,0]=3 3141 B13R1.1267 CCOC1CCCCC1(N)C(=O)O Amb2695104 [0,1,0,1,0,0|1,0,0]=3 3142 B13R1.1889 COCCCNC1CC(C(=O)O)C1 Amb33070090 [0,1,0,1,0,0|2,0,0]=4 3143 B13R1.2191 C=C(C)C1(O)CCCCCC1CC Amb35721147 [0,1,0,1,0,0|2,0,0]=4 3144 B13R1.2191 CCC1CCCCCC1(N)C(=O)O Amb35681356 [0,1,0,1,0,0|0,0,0]=2 3145 B13R1.2191 CCC1CCCCCC1(N)C(N)=O Amb35733874 [0,1,0,1,0,0|1,0,0]=3 3146 B13R1.2191 CCC1CCCCCC1(O)C(=O)O Amb29865302 [0,1,0,1,0,0|0,0,0]=2 3147 B13R1.2191 CCC1CCCCCC1(O)C(N)=O Amb35706799 [0,1,0,1,0,0|1,0,0]=3 3148 B13R1.2839 NC(=O)C(N)CCCOC1CCC1 Amb33309236 [0,1,0,1,0,0|2,0,0]=4 3149 B13R1.2839 NC(=O)C(N)CCOCC1CCC1 Amb33036579 [0,1,0,1,0,0|2,0,0]=4 3150 B13R1.2839 NC(CCCOC1CCC1)C(=O)O Amb33065541 [0,1,0,1,0,0|1,0,0]=3 3151 B13R1.2839 NC(CCOCC1CCC1)C(=O)O Amb33066296 [0,1,0,1,0,0|1,0,0]=3 3152 B13R1.2839 N[C@@H](CCCOC1CCC1)C(=O)O Amb33065494 [0,1,0,1,0,0|1,0,0]=3 3153 B13R1.2839 N[C@@H](CCOCC1CCC1)C(=O)O Amb33036898 [0,1,0,1,0,0|1,0,0]=3 3154 B13R1.2839 N[C@H](CCCOC1CCC1)C(=O)O Amb33036580 [0,1,0,1,0,0|1,0,0]=3 3155 B13R1.2839 N[C@H](CCOCC1CCC1)C(=O)O Amb33065765 [0,1,0,1,0,0|1,0,0]=3 3156 B13R1.2840 CC(NCCCCC1CC1)C(=O)O Amb32675857 [0,1,0,1,0,0|1,0,0]=3 3157 B13R1.2840 NC(=O)C(N)CCCCCC1CC1 Amb33037078 [0,1,0,1,0,0|1,0,0]=3 3158 B13R1.2840 NC(CCCCCC1CC1)C(=O)O Amb33308704 [0,1,0,1,0,0|0,0,0]=2 3159 B13R1.2840 N[C@@H](CCCCCC1CC1)C(=O)O Amb33308674 [0,1,0,1,0,0|0,0,0]=2 3160 B13R1.2840 N[C@H](CCCCCC1CC1)C(=O)O Amb33036900 [0,1,0,1,0,0|0,0,0]=2 3161 B13R1.3714 CC1(C(=O)O)CCCCCCC1O Amb2637012 [0,1,0,1,0,0|1,0,0]=3 3162 B13R1.3714 N[C@]1(C(=O)O)CCCCCC[C@H]1O Amb28076667 [0,1,0,1,0,0|1,0,0]=3 3163 B13R1.3766 CC(=O)N(C)C1CCCCCC1C Amb35681362 [0,1,0,1,0,0|2,0,0]=4 3164 B13R1.3766 CC1CCCCCC1C(C)C(=O)O Amb29865074 [0,1,0,1,0,0|0,0,0]=2 3165 B13R1.3766 CC1CCCCCC1C(F)C(=O)O Amb29865075 [0,1,0,1,0,0|0,0,0]=2 3166 B13R1.3766 CC1CCCCCC1C(N)C(=O)O Amb35663283 [0,1,0,1,0,0|0,0,0]=2 3167 B13R1.3766 CC1CCCCCC1C(O)C(=O)O Amb35725681 [0,1,0,1,0,0|0,0,0]=2 3168 B13R1.3766 CC1CCCCCC1N(C)C(=O)Cl Amb35681231 [0,1,0,1,0,0|2,0,0]=4 3169 B13R1.3766 CC1CCCCCC1N(C)C(N)=O Amb35681201 [0,1,0,1,0,0|2,0,0]=4 3170 B13R1.3766 CC1CCCCCN1C(C)C(=O)O Amb28367626 [0,1,0,1,0,0|1,0,0]=3 3171 B13R1.3766 CC1CCCCC\C1=C(\F)C(=O)O Amb35721702 [0,1,0,1,0,0|0,0,2]=4 3172 B13R1.3766 C\C(C(=O)O)=C1\CCCCCC1C Amb35721701 [0,1,0,1,0,0|0,0,2]=4 3173 B13R1.3766 NC(=O)C(N)C1CCCCCC1O Amb33308695 [0,1,0,1,0,0|2,0,0]=4 3174 B13R1.3766 NC(C(=O)O)C1CCCCCC1O Amb26636603 [0,1,0,1,0,0|1,0,0]=3 3175 B13R1.3766 NC(C(=O)O)C1CCCCC[C@@H]1O Amb27830618 [0,1,0,1,0,0|1,0,0]=3 3176 B13R1.3766 N[C@@H](C(=O)O)C1CCCCCC1O Amb24652585 [0,1,0,1,0,0|1,0,0]=3 3177 B13R1.3766 N[C@@H](C(=O)O)[C@H]1CCCCC[C@@H]1O Amb27659264 [0,1,0,1,0,0|1,0,0]=3 3178 B13R1.3766 N[C@H](C(=O)O)C1CCCCCC1O Amb27454795 [0,1,0,1,0,0|1,0,0]=3 3179 B13R1.6161 CC(C(=O)O)C1=CCCCCCC1 Amb27658974 [0,1,0,1,0,0|0,0,2]=4 3180 B13R1.6161 CC(C(=O)O)C1CCCCCCC1 Amb24652377 [0,1,0,1,0,0|0,0,0]=2 3181 B13R1.6161 NC(=O)C(Cl)C1CCCCCCC1 Amb27598729 [0,1,0,1,0,0|1,0,0]=3 3182 B13R1.6161 NC(=O)C(N)C1CCCCCCC1 Amb27853339 [0,1,0,1,0,0|1,0,0]=3 3183 B13R1.6161 NC(=O)C(O)C1CCCCCCC1 Amb27219980 [0,1,0,1,0,0|1,0,0]=3 3184 B13R1.6161 NC(C(=O)O)C1=CCCCCCC1 Amb27407095 [0,1,0,1,0,0|0,0,2]=4 3185 B13R1.6161 NC(C(=O)O)C1C=CCCCCC1 Amb26568974 [0,1,0,1,0,0|0,0,2]=4 3186 B13R1.6161 NC(C(=O)O)C1CCCCCCC1 Amb27814084 [0,1,0,1,0,0|0,0,0]=2 3187 B13R1.6161 N[C@@H](C(=O)O)C1C=CCCCCC1 Amb26960995 [0,1,0,1,0,0|0,0,2]=4 3188 B13R1.6161 N[C@@H](C(=O)O)C1CCCCCCC1 Amb27168101 [0,1,0,1,0,0|0,0,0]=2 3189 B13R1.6161 N[C@H](C(=O)O)C1C=CCCCCC1 Amb25733190 [0,1,0,1,0,0|0,0,2]=4 3190 B13R1.6161 O=C(O)C(=O)N1CCCCCCC1 Amb9304015 [0,1,0,1,0,0|1,0,1]=4 3191 B13R1.6161 O=C(O)C(F)=C1CCCCCCC1 Amb27589170 [0,1,0,1,0,0|0,0,2]=4 3192 B13R1.6161 O=C(O)C(O)C1=CCCCCCC1 Amb27219906 [0,1,0,1,0,0|0,0,2]=4 3193 B13R1.6161 O=C(O)C(O)C1C#CCCCCC1 Amb27793692 [0,1,0,1,0,0|0,0,2]=4 3194 B13R1.6161 O=C(O)C(O)C1CCCCCCC1 Amb27205442 [0,1,0,1,0,0|0,0,0]=2 3195 B13R1.6192 C=C(C)C(N)CC1CCCCCC1 Amb27948417 [0,1,0,1,0,0|2,0,0]=4 3196 B13R1.6192 CC(CC1CCCCCC1)C(=O)O Amb28320084 [0,1,0,1,0,0|0,0,0]=2 3197 B13R1.6192 CC(CN1CCCCCC1)C(=O)O Amb9400675 [0,1,0,1,0,0|1,0,0]=3 3198 B13R1.6192 CC(CN1CCCCCC1)C(N)=O Amb17234099 [0,1,0,1,0,0|2,0,0]=4 3199 B13R1.6192 CC(NC1CCCCCC1)C(=O)O Amb17401063 [0,1,0,1,0,0|1,0,0]=3 3200 B13R1.6192 CC(NC1CCCCCC1)C(N)=O Amb8997800 [0,1,0,1,0,0|2,0,0]=4 3201 B13R1.6192 CC(NC1CCCSCC1)C(=O)O Amb29860815 [0,1,0,1,0,0|2,0,0]=4 3202 B13R1.6192 CC(OC1CCCCCC1)C(=O)O Amb18979541 [0,1,0,1,0,0|1,0,0]=3 3203 B13R1.6192 CC(OC1CCCNCC1)C(=O)O Amb35723376 [0,1,0,1,0,0|2,0,0]=4 3204 B13R1.6192 CC(SC1CCCCCC1)C(=O)O Amb27471543 [0,1,0,1,0,0|1,0,0]=3 3205 B13R1.6192 C[C@@H](CC1CCCCCC1)C(=O)O Amb33749534 [0,1,0,1,0,0|0,0,0]=2 3206 B13R1.6192 C[C@@H](NC1CCCCCC1)C(=O)O Amb27587315 [0,1,0,1,0,0|1,0,0]=3 3207 B13R1.6192 C[C@@H](NC1CCCCCC1)C(N)=O Amb27749669 [0,1,0,1,0,0|2,0,0]=4 3208 B13R1.6192 C[C@@H](NC1CCCOCC1)C(=O)O Amb27251124 [0,1,0,1,0,0|2,0,0]=4 3209 B13R1.6192 C[C@@H](NC1CCCSCC1)C(=O)O Amb29860812 [0,1,0,1,0,0|2,0,0]=4 3210 B13R1.6192 C[C@H](CC1CCCCCC1)C(=O)O Amb33727763 [0,1,0,1,0,0|0,0,0]=2 3211 B13R1.6192 C[C@H](NC1CCCCCC1)C(=O)O Amb27586975 [0,1,0,1,0,0|1,0,0]=3 3212 B13R1.6192 C[C@H](NC1CCCNCC1)C(=O)O Amb27652684 [0,1,0,1,0,0|2,0,0]=4 3213 B13R1.6192 C[C@H](NC1CCCSCC1)C(=O)O Amb29860813 [0,1,0,1,0,0|2,0,0]=4 3214 B13R1.6192 NC(CC1CCC=CCC1)C(=O)O Amb33069948 [0,1,0,1,0,0|0,0,2]=4 3215 B13R1.6192 NC(CC1CCCCCC1)C(=O)O Amb26519677 [0,1,0,1,0,0|0,0,0]=2 3216 B13R1.6192 NC(CC1CCCCCC1)C(=O)O Amb32666066 [0,1,0,1,0,0|0,0,0]=2 3217 B13R1.6192 NC(CN1CCCNCC1)C(=O)O Amb18293706 [0,1,0,1,0,0|2,0,0]=4 3218 B13R1.6192 N[C@@H](CC1CCC=CCC1)C(=O)O Amb33127526 [0,1,0,1,0,0|0,0,2]=4 3219 B13R1.6192 N[C@@H](CC1CCCCCC1)C(=O)O Amb26634280 [0,1,0,1,0,0|0,0,0]=2 3220 B13R1.6192 N[C@@H](CC1CCCCCC1)C(=O)O Amb28600370 [0,1,0,1,0,0|0,0,0]=2 3221 B13R1.6192 N[C@H](CC1CCC=CCC1)C(=O)O Amb33308848 [0,1,0,1,0,0|0,0,2]=4 3222 B13R1.6192 O=C(O)C(=O)CC1CCCCCC1 Amb24751418 [0,1,0,1,0,0|0,0,1]=3 3223 B13R1.6192 O=C(O)C(=O)NC1CCCCCC1 Amb9303952 [0,1,0,1,0,0|1,0,1]=4 3224 B13R1.6192 O=C(O)C(O)CC1CCCCCC1 Amb28434371 [0,1,0,1,0,0|0,0,0]=2 3225 B13R1.6192 O=C(O)C(O)CN1CCCCCC1 Amb25993241 [0,1,0,1,0,0|1,0,0]=3 3226 B13R1.6192 O=C(O)C(O)CN1CCCOCC1 Amb27401473 [0,1,0,1,0,0|2,0,0]=4 3227 B13R1.6192 O=C(O)C(S)CC1CCCCCC1 Amb27801746 [0,1,0,1,0,0|0,0,0]=2 3228 B13R1.6192 O=C(O)\C(F)=C\C1CCCCCC1 Amb27450569 [0,1,0,1,0,0|0,0,2]=4 3229 B13R1.45 CC(=O)NCC(O)C1CCCCC1 Amb28251033 [0,1,0,1,0,0|2,0,0]=4 3230 B13R1.45 CC(CCC(=O)O)N1CCCCC1 Amb10608276 [0,1,0,1,0,0|1,0,0]=3 3231 B13R1.45 CC(CCC(=O)O)N1CCCCC1 Amb17622173 [0,1,0,1,0,0|1,0,0]=3 3232 B13R1.45 CC(CCC(=O)O)N1CCOCC1 Amb10607496 [0,1,0,1,0,0|2,0,0]=4 3233 B13R1.45 CC(CCC(=O)O)N1CCOCC1 Amb21959691 [0,1,0,1,0,0|2,0,0]=4 3234 B13R1.45 CC(NCC(=O)O)C1CCCCC1 Amb33473568 [0,1,0,1,0,0|1,0,0]=3 3235 B13R1.45 CC(NCC(=O)O)C1CCCCC1 Amb9640431 [0,1,0,1,0,0|1,0,0]=3 3236 B13R1.45 CC(NCC(N)=O)C1CCCCC1 Amb9620775 [0,1,0,1,0,0|2,0,0]=4 3237 B13R1.45 CN(CCC(=O)O)C1CCCCC1 Amb28600294 [0,1,0,1,0,0|1,0,0]=3 3238 B13R1.45 CN(CCC(=O)O)C1CCCCC1 Amb5767696 [0,1,0,1,0,0|1,0,0]=3 3239 B13R1.45 CN(CCC(=O)O)C1CCNCC1 Amb33553043 [0,1,0,1,0,0|2,0,0]=4 3240 B13R1.45 CN(CCC(=O)O)C1CCNCC1 Amb9471656 [0,1,0,1,0,0|2,0,0]=4 3241 B13R1.45 C\C(=C/CC(=O)O)C1CCCCC1 Amb24634301 [0,1,0,1,0,0|0,0,2]=4 3242 B13R1.45 NC(CCC(=O)O)C1CC=CCC1 Amb33314962 [0,1,0,1,0,0|0,0,2]=4 3243 B13R1.45 NC(CCC(=O)O)C1CCCCC1 Amb23440686 [0,1,0,1,0,0|0,0,0]=2 3244 B13R1.45 NC(CCC(=O)O)C1CCCCO1 Amb33429848 [0,1,0,1,0,0|1,0,0]=3 3245 B13R1.45 NC(CCC(=O)O)C1CCCOC1 Amb32731911 [0,1,0,1,0,0|1,0,0]=3 3246 B13R1.45 NC(CCC(=O)O)C1CCCSC1 Amb33461545 [0,1,0,1,0,0|1,0,0]=3 3247 B13R1.45 NC(CCC(=O)O)C1CCOCC1 Amb33419124 [0,1,0,1,0,0|1,0,0]=3 3248 B13R1.45 O=C(O)CCC(=O)C1CCCCC1 Amb2699516 [0,1,0,1,0,0|0,0,1]=3 3249 B13R1.45 O=C(O)CCC(=O)N1CCCCC1 Amb1138053 [0,1,0,1,0,0|1,0,1]=4 3250 B13R1.45 O=C(O)CNC(=O)C1CCCCC1 Amb1102851 [0,1,0,1,0,0|1,0,1]=4 3251 B13R1.141 CC1CCN(CCF)C(C(=O)O)C1 Amb27833096 [0,1,0,1,0,0|2,0,0]=4 3252 B13R1.141 CC1CCN(CCN)C(C(=O)O)C1 Amb27598876 [0,1,0,1,0,0|2,0,0]=4 3253 B13R1.141 CCCC1CCC(=O)CC1C(=O)O Amb32867787 [0,1,0,1,0,0|0,0,1]=3 3254 B13R1.141 CCCC1CCC(=O)CC1C(N)=O Amb32865567 [0,1,0,1,0,0|1,0,1]=4 3255 B13R1.141 CCCC1CCC(N)CC1C(=O)O Amb32866496 [0,1,0,1,0,0|0,0,0]=2 3256 B13R1.141 CCCC1CCC(O)CC1C(=O)O Amb32867810 [0,1,0,1,0,0|0,0,0]=2 3257 B13R1.141 CCCN1CCC(C)CC1C(=O)O Amb27397456 [0,1,0,1,0,0|1,0,0]=3 3258 B13R1.141 CCCN1CCC(C)CC1C(N)=O Amb27457393 [0,1,0,1,0,0|2,0,0]=4 3259 B13R1.159 C=C(C)CCC1(N)CCCCC1C Amb35657814 [0,1,0,1,0,0|2,0,0]=4 3260 B13R1.159 CC(O)CCC1(N)CCCCC1C Amb35606501 [0,1,0,1,0,0|1,0,1]=4 3261 B13R1.159 CC1(CCC(=O)O)CCCCC1=O Amb4014069 [0,1,0,1,0,0|1,0,1]=4 3262 B13R1.159 CC1CCCCC1(O)C#CC(=O)O Amb28129254 [0,1,0,1,0,0|0,0,2]=4 3263 B13R1.159 CC1CCCCC1(O)CCC(N)=O Amb27758683 [0,1,0,1,0,0|1,0,0]=3 3264 B13R1.159 C[C@]1(CCC(=O)O)CCCCC1=O Amb27865543 [0,1,0,1,0,0|1,0,1]=4 3265 B13R1.168 CC1CCCC1C(=O)NCC(=O)O Amb27948373 [0,1,0,1,0,0|1,0,1]=4 3266 B13R1.168 CC1OCCC1C(N)CCC(=O)O Amb33427711 [0,1,0,1,0,0|1,0,0]=3 3267 B13R1.344 NC(CCC(=O)O)CC1CCCC1 Amb19045804 [0,1,0,1,0,0|0,0,0]=2 3268 B13R1.344 O=C(O)CCC(=O)NC1CCCC1 Amb6562272 [0,1,0,1,0,0|1,0,1]=4 3269 B13R1.344 O=C(O)CNC(=O)CC1CCCC1 Amb1112497 [0,1,0,1,0,0|1,0,1]=4 3270 B13R1.2135 CC[C@H]1CCCC(=O)[C@@H]1CC(=O)O Amb27433934 [0,1,0,1,0,0|0,0,1]=3 3271 B13R1.2135 CO[C@@H]1CCC[C@@H](O)[C@H]1CC(C)=O Amb27427704 [0,1,0,1,0,0|2,0,0]=4 3272 B13R1.3688 CC\C=C/CCC1(C)CCC(=O)O1 Amb22734350 [0,1,0,1,0,0|0,0,2]=4 3273 B13R1.8682 C=C(C)CCC1(N)CCCCCC1 Amb35649480 [0,1,0,1,0,0|2,0,0]=4 3274 B13R1.8682 CC(=O)NCC1(N)CCCCCC1 Amb27802154 [0,1,0,1,0,0|2,0,0]=4 3275 B13R1.8682 CC(O)CCC1(C)CCCCCC1 Amb27847837 [0,1,0,1,0,0|1,0,1]=4 3276 B13R1.8682 CC(O)CCC1(N)CCCCCC1 Amb35606497 [0,1,0,1,0,0|1,0,1]=4 3277 B13R1.8682 CS(=O)CCC1(N)CCCCCC1 Amb28430271 [0,1,0,1,0,0|2,0,0]=4 3278 B13R1.8682 NC1(CCC(=O)O)CCCCCC1 Amb18822376 [0,1,0,1,0,0|0,0,0]=2 3279 B13R1.8682 O=C(O)CCC1(O)CCCSCC1 Amb35691452 [0,1,0,1,0,0|1,0,0]=3 3280 B13R1.589 C=C(C)CC1CCCCC1C(=O)O Amb27748690 [0,1,0,1,0,0|0,0,1]=3 3281 B13R1.589 CC(=O)C1CCCCN1CC(C)C Amb27187202 [0,1,0,1,0,0|2,0,0]=4 3282 B13R1.589 CC(=O)CC1CCCCC1C(=O)O Amb18129441 [0,1,0,1,0,0|0,0,1]=3 3283 B13R1.589 CC(=O)C[C@@H]1CCCCC1C(=O)O Amb27210081 [0,1,0,1,0,0|0,0,1]=3 3284 B13R1.589 CC(=O)N1CCCCC1CC(=O)O Amb13952139 [0,1,0,1,0,0|1,0,1]=4 3285 B13R1.589 CC(=O)NC1CCCCC1C(=O)O Amb27751066 [0,1,0,1,0,0|1,0,1]=4 3286 B13R1.589 CC(=O)N[C@H]1CCCC[C@H]1C(=O)O Amb28052103 [0,1,0,1,0,0|1,0,1]=4 3287 B13R1.589 CC(C)C1CCCCC1CC(=O)O Amb28044620 [0,1,0,1,0,0|0,0,0]=2 3288 B13R1.589 CC(C)C1CCCCC1NC(=O)Cl Amb35625911 [0,1,0,1,0,0|2,0,0]=4 3289 B13R1.589 CC(C)C1CCCCC1OC(=O)Cl Amb33297334 [0,1,0,1,0,0|2,0,0]=4 3290 B13R1.589 CC(C)C1CCCCN1CC(=O)O Amb27208020 [0,1,0,1,0,0|1,0,0]=3 3291 B13R1.589 CC(C)C1CCCCN1CC(N)=O Amb27979249 [0,1,0,1,0,0|2,0,0]=4 3292 B13R1.589 CC(C)C1CCCC\C1=C/C(=O)O Amb27426985 [0,1,0,1,0,0|0,0,2]=4 3293 B13R1.589 CC(C)C1CNCCN1CC(=O)O Amb25836838 [0,1,0,1,0,0|2,0,0]=4 3294 B13R1.589 CC(C)C1NCCCC1CC(=O)O Amb27765416 [0,1,0,1,0,0|1,0,0]=3 3295 B13R1.589 CC(C)CC1CCCCN1C(=O)Cl Amb33296873 [0,1,0,1,0,0|2,0,0]=4 3296 B13R1.589 CC(C)CC1CCCNC1C(=O)O Amb33500973 [0,1,0,1,0,0|1,0,0]=3 3297 B13R1.589 CC(C)CC1CCNCC1C(=O)O Amb18191303 [0,1,0,1,0,0|1,0,0]=3 3298 B13R1.589 CC(C)CC1CNCCC1C(=O)O Amb33500980 [0,1,0,1,0,0|1,0,0]=3 3299 B13R1.589 CC(C)CC1NCCCC1C(=O)O Amb25202050 [0,1,0,1,0,0|1,0,0]=3 3300 B13R1.589 CC(C)CC1OCCCC1C(=O)Cl Amb27474213 [0,1,0,1,0,0|2,0,0]=4 3301 B13R1.589 CC(C)CN1CCCCC1C(=O)O Amb2372341 [0,1,0,1,0,0|1,0,0]=3 3302 B13R1.589 CC(C)CN1CCCCC1C(N)=O Amb24346691 [0,1,0,1,0,0|2,0,0]=4 3303 B13R1.589 CC(C)CN1CCNCC1C(=O)O Amb28206816 [0,1,0,1,0,0|2,0,0]=4 3304 B13R1.589 CC(C)CN1CCNC[C@@H]1C(=O)O Amb27779475 [0,1,0,1,0,0|2,0,0]=4 3305 B13R1.589 CC(C)CN1CCOCC1C(=O)O Amb28070526 [0,1,0,1,0,0|2,0,0]=4 3306 B13R1.589 CC(C)C[C@@H]1NCCC[C@H]1C(=O)O Amb18191329 [0,1,0,1,0,0|1,0,0]=3 3307 B13R1.589 CC(C)C[C@H]1NCCC[C@@H]1C(=O)O Amb27427791 [0,1,0,1,0,0|1,0,0]=3 3308 B13R1.589 CC(C)SC1CCCCC1C(=O)O Amb19002582 [0,1,0,1,0,0|1,0,0]=3 3309 B13R1.589 CC(C)[C@@H]1NCCC[C@H]1CC(=O)O Amb18191312 [0,1,0,1,0,0|1,0,0]=3 3310 B13R1.589 CC(O)C1CCCCN1CC(N)=O Amb28344849 [0,1,0,1,0,0|2,0,0]=4 3311 B13R1.589 CC(O)CN1CCCCC1C(N)=O Amb27594414 [0,1,0,1,0,0|2,0,0]=4 3312 B13R1.589 CC(O)CN1CCNCC1C(=O)O Amb28398933 [0,1,0,1,0,0|2,0,0]=4 3313 B13R1.589 CN(C)C1CCCCC1CC(=O)O Amb18822385 [0,1,0,1,0,0|1,0,0]=3 3314 B13R1.589 CN(C)C1CCOCC1CC(=O)O Amb18821596 [0,1,0,1,0,0|2,0,0]=4 3315 B13R1.589 CN(C)C1CCSCC1CC(=O)O Amb18176789 [0,1,0,1,0,0|2,0,0]=4 3316 B13R1.589 CN(C)C[C@H]1CCCC[C@@H]1C(=O)O Amb28349313 [0,1,0,1,0,0|1,0,0]=3 3317 B13R1.589 CS(=O)N1CCCCC1CC(=O)O Amb27250494 [0,1,0,1,0,0|2,0,0]=4 3318 B13R1.589 O=C(O)C1CCCCN1CC(F)F Amb18321150 [0,1,0,1,0,0|2,0,0]=4 3319 B13R1.589 O=C(O)C1CCCCN1CC(F)F Amb32818205 [0,1,0,1,0,0|2,0,0]=4 3320 B13R1.589 O=C(O)C[C@@H]1CCCC[C@@H]1C(=O)O Amb26428596 [0,1,0,1,0,0|1,0,1]=4 3321 B13R1.591 CC(=O)NC1CCCC1CC(=O)O Amb29863706 [0,1,0,1,0,0|1,0,1]=4 3322 B13R1.591 CC(=O)N[C@@H]1CCC[C@H]1CC(=O)O Amb30019916 [0,1,0,1,0,0|1,0,1]=4 3323 B13R1.591 CC(C)C[C@@H]1NCC[C@H]1CC(=O)O Amb18191318 [0,1,0,1,0,0|1,0,0]=3 3324 B13R1.591 CN(C)CC1CCCN1CC(=O)O Amb19033953 [0,1,0,1,0,0|2,0,0]=4 3325 B13R1.1013 CC1(C)SCCC1CCCC(=O)O Amb32725176 [0,1,0,1,0,0|1,0,0]=3 3326 B13R1.1082 CC(=O)C1CCCCCC1C(C)C Amb35725697 [0,1,0,1,0,0|1,0,0]=3 3327 B13R1.1082 CC(=O)N1CCCCCC1C(=O)O Amb8631239 [0,1,0,1,0,0|1,0,1]=4 3328 B13R1.1082 CC(=O)N1CCCCCC1C(C)C Amb27753551 [0,1,0,1,0,0|2,0,0]=4 3329 B13R1.1082 CC(C)C1CCCCCC1C(=O)Cl Amb24399876 [0,1,0,1,0,0|1,0,0]=3 3330 B13R1.1082 CC(C)C1CCCCCC1C(C)O Amb35672754 [0,1,0,1,0,0|1,0,1]=4 3331 B13R1.1082 CC(C)[C@@H]1NCCCC[C@H]1C(=O)O Amb18191321 [0,1,0,1,0,0|1,0,0]=3 3332 B13R1.1082 CN(C)C1CCCCCC1C(=O)O Amb18967362 [0,1,0,1,0,0|1,0,0]=3 3333 B13R1.1082 NC(=O)[C@H]1CCCCC[C@H]1C(=O)O Amb27437402 [0,1,0,1,0,0|1,0,1]=4 3334 B13R1.1082 O=C(O)C1CCCCCC1C(=O)O Amb25719377 [0,1,0,1,0,0|1,0,1]=4 3335 B13R1.3575 C=C(C)CCC1CCCCC1(C)O Amb32944678 [0,1,0,1,0,0|2,0,0]=4 3336 B13R1.3575 C=C(C)CC[C@@H]1CCCC[C@@]1(C)O Amb32944275 [0,1,0,1,0,0|2,0,0]=4 3337 B13R1.3575 CC(=O)CCC1CCCCC1(F)F Amb27427314 [0,1,0,1,0,0|2,0,0]=4 3338 B13R1.3575 CC(Br)CCC1CCCCS1(=O)=O Amb35732808 [0,1,0,1,0,0|1,0,1]=4 3339 B13R1.3575 CC(C)CCC1CCCCC1(C)O Amb33212947 [0,1,0,1,0,0|1,0,1]=4 3340 B13R1.3575 CC(C)CC[C@@H]1CCCC[C@@]1(C)O Amb32944946 [0,1,0,1,0,0|1,0,1]=4 3341 B13R1.3575 CC(Cl)CCC1CCCCS1(=O)=O Amb35732807 [0,1,0,1,0,0|1,0,1]=4 3342 B13R1.3575 CC(N)CCC1CCCCS1(=O)=O Amb35673024 [0,1,0,1,0,0|1,0,1]=4 3343 B13R1.3575 CC(O)CCC1CCCCS1(=O)=O Amb35723271 [0,1,0,1,0,0|1,0,1]=4 3344 B13R1.3575 CC1(C)CCCCC1CCC(=O)O Amb33470261 [0,1,0,1,0,0|0,0,0]=2 3345 B13R1.3575 CC1(C)CCCCC1NCC(N)=O Amb27971839 [0,1,0,1,0,0|2,0,0]=4 3346 B13R1.3575 CC1(C)CCCCC1\C=C\C(=O)O Amb33470092 [0,1,0,1,0,0|0,0,2]=4 3347 B13R1.3575 CC1(O)CCCCC1NCC(=O)O Amb35597316 [0,1,0,1,0,0|1,0,0]=3 3348 B13R1.3575 CC1(O)CCCCC1NCC(N)=O Amb35665600 [0,1,0,1,0,0|2,0,0]=4 3349 B13R1.3575 CC1(O)CCCCC1OCC(=O)O Amb35665605 [0,1,0,1,0,0|1,0,0]=3 3350 B13R1.3575 CC1(O)CCCCC1SCC(=O)O Amb35664219 [0,1,0,1,0,0|1,0,0]=3 3351 B13R1.3575 CC1(O)CCCCC1SCC(N)=O Amb35667565 [0,1,0,1,0,0|2,0,0]=4 3352 B13R1.3575 CC1(O)CCOCC1NCC(=O)O Amb536332 [0,1,0,1,0,0|2,0,0]=4 3353 B13R1.3575 C[C@@]1(O)CCCC[C@H]1NCC(=O)O Amb35597214 [0,1,0,1,0,0|1,0,0]=3 3354 B13R1.3575 C[C@@]1(O)CCCC[C@H]1NCC(N)=O Amb35665732 [0,1,0,1,0,0|2,0,0]=4 3355 B13R1.3575 C[C@@]1(O)CCCC[C@H]1OCC(=O)O Amb35664175 [0,1,0,1,0,0|1,0,0]=3 3356 B13R1.3575 C[C@@]1(O)CCCC[C@H]1SCC(=O)O Amb35664216 [0,1,0,1,0,0|1,0,0]=3 3357 B13R1.3575 C[C@@]1(O)CCCC[C@H]1SCC(N)=O Amb35667470 [0,1,0,1,0,0|2,0,0]=4 3358 B13R1.3575 C[C@@]1(O)CCOC[C@H]1SCC(=O)O Amb28436770 [0,1,0,1,0,0|2,0,0]=4 3359 B13R1.3575 O=C(O)CCC1CCCCC1(F)F Amb28054695 [0,1,0,1,0,0|1,0,0]=3 3360 B13R1.3575 O=C(O)CCC1CCCCS1(=O)=O Amb35672802 [0,1,0,1,0,0|2,0,0]=4 3361 B13R1.3575 O=C(O)CCC1CCNCC1(F)F Amb27445147 [0,1,0,1,0,0|2,0,0]=4 3362 B13R1.3576 CC(=O)N1CCCC1CCC(=O)O Amb31185795 [0,1,0,1,0,0|1,0,1]=4 3363 B13R1.3576 CC(C)CCN1CCCC1C(=O)O Amb1109877 [0,1,0,1,0,0|1,0,0]=3 3364 B13R1.3576 CN(C)C1CCCC1CCC(=O)O Amb18191349 [0,1,0,1,0,0|1,0,0]=3 3365 B13R1.3576 CN(C)CCC1CNCC1C(=O)O Amb18191209 [0,1,0,1,0,0|2,0,0]=4 3366 B13R1.8832 O=C(O)CC1CCCCCC1(F)F Amb27209102 [0,1,0,1,0,0|1,0,0]=3 3367 B13R1.8832 O=C(O)CC1CCNCCC1(F)F Amb25940749 [0,1,0,1,0,0|2,0,0]=4 3368 B13R1.8832 O=C(O)CC1CCNCCC1(F)F Amb33743452 [0,1,0,1,0,0|2,0,0]=4 3369 B13R1.8832 O=C(O)CC1CCOCCC1(F)F Amb27421882 [0,1,0,1,0,0|2,0,0]=4 3370 B13R1.115 CCC1C(CC(=O)O)CCCN1C Amb27587065 [0,1,0,1,0,0|1,0,0]=3 3371 B13R1.115 CC[C@@H]1[C@@H](CC(=O)O)CCCN1C Amb18191313 [0,1,0,1,0,0|1,0,0]=3 3372 B13R1.164 CC(O)CCC1CCC(C)CC1C Amb28401121 [0,1,0,1,0,0|1,0,1]=4 3373 B13R1.164 CC1CC(N)CCN1CCC(=O)O Amb28254225 [0,1,0,1,0,0|1,0,0]=3 3374 B13R1.164 CC1CCC(NCC(N)=O)C(C)C1 Amb27453291 [0,1,0,1,0,0|2,0,0]=4 3375 B13R1.164 CC1CCN(CCC(=O)O)C(C)C1 Amb18990007 [0,1,0,1,0,0|1,0,0]=3 3376 B13R1.164 CC1CS(=O)CCN1CCC(=O)O Amb27835810 [0,1,0,1,0,0|2,0,0]=4 3377 B13R1.164 C[C@H]1C[C@@H](O)CCN1CCC(=O)O Amb27782374 [0,1,0,1,0,0|1,0,0]=3 3378 B13R1.465 CCCC(C)C1CCCCC1(C)O Amb32950508 [0,1,0,1,0,0|1,0,1]=4 3379 B13R1.465 CCCC(C)[C@@H]1CCCC[C@@]1(C)O Amb32944742 [0,1,0,1,0,0|1,0,1]=4 3380 B13R1.465 CCCC(N)C1CCCCC1(C)O Amb35665774 [0,1,0,1,0,0|1,0,1]=4 3381 B13R1.465 CCCC(N)[C@@H]1CCCC[C@@]1(C)O Amb35665924 [0,1,0,1,0,0|1,0,1]=4 3382 B13R1.467 CCCC(=O)N1CCCC1C(=O)O Amb9712574 [0,1,0,1,0,0|1,0,1]=4 3383 B13R1.467 CCCC(=O)N1CCC[C@@H]1C(=O)O Amb18319022 [0,1,0,1,0,0|1,0,1]=4 3384 B13R1.467 CCNC(=O)C1CCCC1C(=O)O Amb27241852 [0,1,0,1,0,0|1,0,1]=4 3385 B13R1.1279 CCCC1(C)CCCNC1C(=O)O Amb27974172 [0,1,0,1,0,0|1,0,0]=3 3386 B13R1.1279 CSCC1(C)CCCCC1C(=O)O Amb27643572 [0,1,0,1,0,0|1,0,0]=3 3387 B13R1.1462 CCCC(C)C1CCCCC(O)C1 Amb28456318 [0,1,0,1,0,0|1,0,1]=4 3388 B13R1.3506 CC1CN(C)CCCN1CC(=O)O Amb28324662 [0,1,0,1,0,0|2,0,0]=4 3389 B13R1.3506 C[C@@H]1NC(=O)CCC[C@H]1CC(=O)O Amb18191382 [0,1,0,1,0,0|1,0,1]=4 3390 B13R2.7 CCC1CCCC12CC(=O)CO2 Amb35734224 [0,0,0,2,0,0|2,0,0]=4 3391 B13R2.7 CCC1COCC12CCC(=O)O2 Amb35632278 [0,0,0,2,0,0|1,0,0]=3 3392 B13R2.7 CCC1COCC12CNC(=O)O2 Amb35616384 [0,0,0,2,0,0|2,0,0]=4 3393 B13R2.10 ClC1=NCC(C2CCCCC2)O1 Amb28252435 [0,0,0,2,0,0|2,0,0]=4 3394 B13R2.10 O=C1CC(C2CCCCC2)CN1 Amb22411524 [0,0,0,2,0,0|2,0,0]=4 3395 B13R2.10 O=C1CCC(C2CCCCC2)N1 Amb27973556 [0,0,0,2,0,0|1,0,0]=3 3396 B13R2.10 O=C1CCC(C2CCCCO2)O1 Amb35637848 [0,0,0,2,0,0|1,0,0]=3 3397 B13R2.10 O=C1CCC(C2CCNCC2)N1 Amb15692167 [0,0,0,2,0,0|2,0,0]=4 3398 B13R2.10 O=C1COC(C2CCCCC2)C1 Amb28324356 [0,0,0,2,0,0|2,0,0]=4 3399 B13R2.10 O=C1C[C@@H](C2CCCCC2)CN1 Amb27174216 [0,0,0,2,0,0|2,0,0]=4 3400 B13R2.10 O=C1NC(C2CCCCC2)CO1 Amb24422007 [0,0,0,2,0,0|2,0,0]=4 3401 B13R2.10 O=C1NCC(C2CCCCC2)O1 Amb27595140 [0,0,0,2,0,0|1,0,0]=3 3402 B13R2.10 O=C1NCC(C2CCCCC2)S1 Amb28367673 [0,0,0,2,0,0|1,1,0]=4 3403 B13R2.10 O=C1NCC(C2CCCCO2)O1 Amb33223736 [0,0,0,2,0,0|2,0,0]=4 3404 B13R2.10 O=C1NCC(C2CCCOC2)O1 Amb27800348 [0,0,0,2,0,0|2,0,0]=4 3405 B13R2.10 O=C1NCC(C2CCCSC2)O1 Amb32726149 [0,0,0,2,0,0|2,0,0]=4 3406 B13R2.10 O=C1NCC(C2CCNCC2)O1 Amb29083328 [0,0,0,2,0,0|2,0,0]=4 3407 B13R2.10 O=C1NCC(C2CCOCC2)O1 Amb28143861 [0,0,0,2,0,0|2,0,0]=4 3408 B13R2.10 O=C1N[C@H](C2CCCCC2)CO1 Amb28130263 [0,0,0,2,0,0|2,0,0]=4 3409 B13R2.10 OC1=NC(C2CCCCC2)CN1 Amb25841065 [0,0,0,2,0,0|2,0,0]=4 3410 B13R2.10 OC1CCC(C2CCCCC2)O1 Amb22752556 [0,0,0,2,0,0|0,0,2]=4 3411 B13R2.51 CC[C@@H]1C[C@H]1CN2CCC(=O)C2 Amb27266213 [0,0,0,2,0,0|2,0,0]=4 3412 B13R2.142 O=C1CC(CC2CCCC2)CN1 Amb25064533 [0,0,0,2,0,0|2,0,0]=4 3413 B13R2.142 O=C1CCC(CN2CCCC2)N1 Amb26578562 [0,0,0,2,0,0|2,0,0]=4 3414 B13R2.142 O=C1CCC(SC2CCCC2)C1 Amb27235443 [0,0,0,2,0,0|2,0,0]=4 3415 B13R2.142 O=C1COC(CC2CCCC2)C1 Amb35734234 [0,0,0,2,0,0|2,0,0]=4 3416 B13R2.142 O=C1NC(CC2CCCC2)CO1 Amb24600592 [0,0,0,2,0,0|2,0,0]=4 3417 B13R2.142 O=C1NCC(CC2CCCC2)O1 Amb26980342 [0,0,0,2,0,0|1,0,0]=3 3418 B13R2.142 OC1CCC(CC2CCCC2)C1 Amb27206788 [0,0,0,2,0,0|1,0,1]=4 3419 B13R2.144 CC1OCCC1C2CNC(=O)O2 Amb33426783 [0,0,0,2,0,0|2,0,0]=4 3420 B13R2.144 CN1CCC[C@@H]1[C@H]2CNC(=O)O2 Amb27237265 [0,0,0,2,0,0|2,0,0]=4 3421 B13R2.144 CN1CCC[C@H]1[C@@H]2CNC(=O)O2 Amb27627136 [0,0,0,2,0,0|2,0,0]=4 3422 B13R2.259 O=CCC1CCC2OC(=O)CC12 Amb28202226 [0,0,0,2,0,0|1,0,1]=4 3423 B13R2.389 O=C1NC2C(O)CCCCC2O1 Amb27494153 [0,0,0,2,0,0|2,0,0]=4 3424 B13R2.389 O=C1N[C@H]2[C@H](CCCC[C@H]2O)O1 Amb27469824 [0,0,0,2,0,0|2,0,0]=4 3425 B13R2.390 CC1=C2C(=O)CCCCC2CC1 Amb27175815 [0,0,0,2,0,0|1,0,1]=4 3426 B13R2.390 O=C1CCCC[C@H]2CC[C@@H](O)[C@@H]12 Amb27802450 [0,0,0,2,0,0|2,0,0]=4 3427 B13R2.390 O=C1CC[C@@H]2CCCC[C@H](O)[C@H]12 Amb27428029 [0,0,0,2,0,0|2,0,0]=4 3428 B13R2.390 O=C1CC[C@H]2CCCC[C@@H](O)[C@H]12 Amb27199061 [0,0,0,2,0,0|2,0,0]=4 3429 B13R2.513 O=C1CCC2CC(CCCO)C12 Amb27177903 [0,0,0,2,0,0|2,0,0]=4 3430 B13R2.581 CCC1CCCC2=CC(=O)CC21 Amb27802678 [0,0,0,2,0,0|1,0,1]=4 3431 B13R2.581 CCC1CCCC2CC(=O)CN12 Amb27599401 [0,0,0,2,0,0|2,0,0]=4 3432 B13R2.2973 O=C1CCC(CNCC2CC2)N1 Amb33230958 [0,0,0,2,0,0|2,0,0]=4 3433 B13R2.2974 O=C1CC[C@@H](CNC2CCC2)N1 Amb28458245 [0,0,0,2,0,0|2,0,0]=4 3434 B13R2.3672 O=C1CCC2CCCCCCC12 Amb28202072 [0,0,0,2,0,0|1,0,0]=3 3435 B13R2.3672 O=C1OCC2=C1CCCCCC2 Amb28255592 [0,0,0,2,0,0|0,0,2]=4 3436 B13R2.4688 NC1=NC2CCCCCCC2O1 Amb27214155 [0,0,0,2,0,0|2,0,0]=4 3437 B13R2.4688 O=C1C=C2CCCCCCC2C1 Amb27175871 [0,0,0,2,0,0|1,0,1]=4 3438 B13R2.4688 O=C1CC2CCCCCCC2C1 Amb28351616 [0,0,0,2,0,0|1,0,0]=3 3439 B13R2.4688 O=C1CC2CCCCCCC2N1 Amb28340979 [0,0,0,2,0,0|1,0,0]=3 3440 B13R2.4688 O=C1N[C@H]2CCCCCC[C@H]2O1 Amb27201637 [0,0,0,2,0,0|1,0,0]=3 3441 B13R2.4688 OC1C[C@H]2CCCCCC[C@@H]2C1 Amb27797231 [0,0,0,2,0,0|1,0,1]=4 3442 B13R2.4688 OC1C[C@H]2CCCCCC[C@@H]2O1 Amb27423114 [0,0,0,2,0,0|0,0,2]=4 3443 B13R2.5023 CC1CCCCC12CN=C(N)O2 Amb27835469 [0,0,0,2,0,0|2,0,0]=4 3444 B13R2.5023 CC1CCCCC12COC(=O)N2 Amb28141676 [0,0,0,2,0,0|2,0,0]=4 3445 B13R2.5023 CC1CCCC[C@]12CCC(=O)C2 Amb28126666 [0,0,0,2,0,0|1,0,0]=3 3446 B13R2.5023 CC1COCCC12CNC(=O)O2 Amb27806656 [0,0,0,2,0,0|2,0,0]=4 3447 B13R2.5023 C[C@@H]1CCCC[C@]12CCC(=O)C2 Amb28248005 [0,0,0,2,0,0|1,0,0]=3 3448 B13R2.5023 C[C@H]1CCCC[C@@]12CCC(=O)C2 Amb28054352 [0,0,0,2,0,0|1,0,0]=3 3449 B13R2.5023 C[C@H]1CCCC[C@]12CNC(=O)O2 Amb28251125 [0,0,0,2,0,0|1,0,0]=3 3450 B13R2.5023 O=C1CC[C@]2(CCCC[C@@H]2O)C1 Amb28324294 [0,0,0,2,0,0|2,0,0]=4 3451 B13R2.5023 O=C1CC[C@]2(CCCC[C@@H]2O)N1 Amb27201651 [0,0,0,2,0,0|2,0,0]=4 3452 B13R2.13132 O=C1CC2(CCCCCC2)CN1 Amb10608002 [0,0,0,2,0,0|2,0,0]=4 3453 B13R2.13132 O=C1CCC2(CCCSCC2)O1 Amb35691492 [0,0,0,2,0,0|1,0,0]=3 3454 B13R2.13132 O=C1CSC2(CCCCCC2)N1 Amb15695090 [0,0,0,2,0,0|2,0,0]=4 3455 B13R2.13132 O=C1NCC2(CCCNCC2)O1 Amb19516813 [0,0,0,2,0,0|2,0,0]=4 3456 B13R2.13132 O=C1NCC2(CCCOCC2)O1 Amb27656857 [0,0,0,2,0,0|2,0,0]=4 3457 B13R2.13 O=C1C=C(C2CCCC2)CCC1 Amb28322923 [0,0,0,2,0,0|1,0,1]=4 3458 B13R2.13 O=C1CC(C2CCCC2)CCN1 Amb27618311 [0,0,0,2,0,0|2,0,0]=4 3459 B13R2.13 O=C1CC(C2CCCC2)CCO1 Amb27438645 [0,0,0,2,0,0|2,0,0]=4 3460 B13R2.13 O=C1CCCC(C2CCCC2)C1 Amb27494299 [0,0,0,2,0,0|1,0,0]=3 3461 B13R2.13 O=C1CCCC(C2CCOC2)C1 Amb25152573 [0,0,0,2,0,0|2,0,0]=4 3462 B13R2.13 O=C1CCCN(C2CCCC2)C1 Amb10603078 [0,0,0,2,0,0|2,0,0]=4 3463 B13R2.13 O=C1CCOC(C2CCCC2)C1 Amb28146616 [0,0,0,2,0,0|2,0,0]=4 3464 B13R2.13 O=C1CNCC(C2CCCC2)N1 Amb24761468 [0,0,0,2,0,0|2,0,0]=4 3465 B13R2.136 CO[C@@H]1C[C@@H]1C2CCCC(=O)C2 Amb27781993 [0,0,0,2,0,0|2,0,0]=4 3466 B13R2.136 O=C1CCC[C@@H]([C@@H]2C[C@H]2CO)O1 Amb27651720 [0,0,0,2,0,0|1,0,0]=3 3467 B13R2.136 O=C1CCC[C@H]([C@@H]2C[C@H]2CO)O1 Amb28069649 [0,0,0,2,0,0|1,0,0]=3 3468 B13R2.136 O=C[C@@H]1C[C@H]1C2CCCC(=O)O2 Amb27629666 [0,0,0,2,0,0|1,0,1]=4 3469 B13R2.270 O=C1C[C@H]2C[C@H](C[C@@H]2CCO)O1 Amb27443018 [0,0,0,2,0,0|1,0,0]=3 3470 B13R2.486 CCCCC1C2CCC1C(=O)C2 Amb27861493 [0,0,0,2,0,0|1,0,0]=3 3471 B13R2.486 CCCC[C@@H]1[C@@H]2CC[C@H]1C(=O)C2 Amb28052421 [0,0,0,2,0,0|1,0,0]=3 3472 B13R2.486 CCCC[C@H]1[C@@H]2CC[C@H]1C(=O)C2 Amb27785530 [0,0,0,2,0,0|1,0,0]=3 3473 B13R2.596 CCC1CNC2CC(=O)CC1C2 Amb27967263 [0,0,0,2,0,0|2,0,0]=4 3474 B13R2.2091 O=C1CCCC2CCC(CO)N12 Amb28283481 [0,0,0,2,0,0|2,0,0]=4 3475 B13R2.3021 O=C1CCCC(CN2CCC2)C1 Amb30013872 [0,0,0,2,0,0|2,0,0]=4 3476 B13R2.3473 CC1CCCC12CCCC(=O)C2 Amb27854953 [0,0,0,2,0,0|1,0,0]=3 3477 B13R2.3473 CC1CCCC12COCC(=O)N2 Amb28200135 [0,0,0,2,0,0|2,0,0]=4 3478 B13R2.3473 C[C@H]1CCC[C@@]12CCCC(=O)C2 Amb27211892 [0,0,0,2,0,0|1,0,0]=3 3479 B13R2.3473 O=C1CCC[C@@]2(CCC[C@@H]2Cl)C1 Amb28052053 [0,0,0,2,0,0|2,0,0]=4 3480 B13R2.3473 O=C1CCC[C@@]2(CCC[C@@H]2O)C1 Amb27267055 [0,0,0,2,0,0|2,0,0]=4 3481 B13R2.3477 N[C@H]1CCC[C@@H]2CC[C@H]1C(=O)O2 Amb27467853 [0,0,0,2,0,0|1,0,0]=3 3482 B13R2.3477 O=C1CC2CCC[C@@H](Cl)C1CC2 Amb27477815 [0,0,0,2,0,0|2,0,0]=4 3483 B13R2.3729 O=C1CCC2CCCNCC2N1 Amb28397430 [0,0,0,2,0,0|2,0,0]=4 3484 B13R2.3729 O=C1CCC2CCNCCC2N1 Amb27593578 [0,0,0,2,0,0|2,0,0]=4 3485 B13R2.3729 O=C1CCC2CNCCCC2N1 Amb27614658 [0,0,0,2,0,0|2,0,0]=4 3486 B13R2.3729 O=C1CC[C@@H]2CCCNC[C@H]2N1 Amb18826475 [0,0,0,2,0,0|2,0,0]=4 3487 B13R2.3729 O=C1CC[C@@H]2CCNCC[C@H]2N1 Amb18826473 [0,0,0,2,0,0|2,0,0]=4 3488 B13R2.3729 O=C1CC[C@@H]2CNCCC[C@H]2N1 Amb18826479 [0,0,0,2,0,0|2,0,0]=4 3489 B13R2.3729 O=C1CC[C@H]2CCCCC[C@@H]2N1 Amb27663610 [0,0,0,2,0,0|1,0,0]=3 3490 B13R2.3729 O=C1NC2CCCCCC2CO1 Amb27832446 [0,0,0,2,0,0|1,0,0]=3 3491 B13R2.3729 OC1CC[C@@H]2CCCCC[C@@H]2C1 Amb27452059 [0,0,0,2,0,0|1,0,1]=4 3492 B13R2.3729 O[C@@H]1CC[C@H]2CCCCCC2C1 Amb27980489 [0,0,0,2,0,0|1,0,1]=4 3493 B13R2.3729 O[C@@H]1CC[C@H]2CCCCC[C@@H]2C1 Amb27643513 [0,0,0,2,0,0|1,0,1]=4 3494 B13R2.4668 O=C1CC2CCCCCC1CC2 Amb27177666 [0,0,0,2,0,0|1,0,0]=3 3495 B13R2.4668 O=C1C[C@H]2CCCCC[C@@H]1CC2 Amb27629639 [0,0,0,2,0,0|1,0,0]=3 3496 B13R2.4719 O=C1CC2CCCCCC(C1)C2 Amb24400472 [0,0,0,2,0,0|1,0,0]=3 3497 B13R2.4719 O=C1C[C@H]2CCCCC[C@@H](C1)C2 Amb27177986 [0,0,0,2,0,0|1,0,0]=3 3498 B13R2.4719 OC1CC2CCCCCC(C1)C2 Amb27751915 [0,0,0,2,0,0|1,0,1]=4 3499 B13R2.4719 O[C@@H]1C[C@H]2CCCCC[C@H](C2)C1 Amb27653064 [0,0,0,2,0,0|1,0,1]=4 3500 B13R2.4818 CC1CCCC2CCCC(=O)C12 Amb27256357 [0,0,0,2,0,0|1,0,0]=3 3501 B13R2.4818 CC1CCCC2CCCC(O)C12 Amb27605346 [0,0,0,2,0,0|1,0,1]=4 3502 B13R2.4818 C[C@@H]1CCC[C@H]2CCCC(=O)[C@@H]21 Amb28429551 [0,0,0,2,0,0|1,0,0]=3 3503 B13R2.4818 C[C@@H]1CCC[C@H]2CCC[C@@H](O)[C@@H]21 Amb27443317 [0,0,0,2,0,0|1,0,1]=4 3504 B13R2.4818 C[C@H]1CCC[C@@H]2CCCC(=O)[C@H]12 Amb27427740 [0,0,0,2,0,0|1,0,0]=3 3505 B13R2.4818 C[C@H]1CCC[C@H]2CCC[C@H](O)[C@@H]12 Amb27457966 [0,0,0,2,0,0|1,0,1]=4 3506 B13R2.4818 C[C@H]1CCC[C@H]2CCC[C@H](O)[C@H]12 Amb28321599 [0,0,0,2,0,0|1,0,1]=4 3507 B13R2.4818 O=C1CCC[C@H]2CCC[C@H](O)[C@@H]12 Amb28194567 [0,0,0,2,0,0|2,0,0]=4 3508 B13R2.4820 O=C1CCCC2=C1CCCCC2 Amb28202323 [0,0,0,2,0,0|1,0,1]=4 3509 B13R2.4820 O=C1CCCC2CCCCC=C12 Amb28461159 [0,0,0,2,0,0|1,0,1]=4 3510 B13R2.4820 O=C1CCC[C@H]2CCCCC[C@H]12 Amb27212437 [0,0,0,2,0,0|1,0,0]=3 3511 B13R2.4820 O=C1CCNC2CCCCCN12 Amb33295208 [0,0,0,2,0,0|2,0,0]=4 3512 B13R2.4820 O=C1CCOC2CCCCCC12 Amb18826487 [0,0,0,2,0,0|2,0,0]=4 3513 B13R2.4820 O=C1NCCN2CCCCCC12 Amb2692468 [0,0,0,2,0,0|2,0,0]=4 3514 B13R2.4820 O[C@@H]1CCC[C@H]2CCCCC[C@H]12 Amb28321263 [0,0,0,2,0,0|1,0,1]=4 3515 B13R2.4820 O[C@H]1CCC[C@H]2CCCCC[C@H]12 Amb27420626 [0,0,0,2,0,0|1,0,1]=4 3516 B13R2.4828 O=C1CCCC2CCCC(C1)C2 Amb28351584 [0,0,0,2,0,0|1,0,0]=3 3517 B13R2.4828 O=C1CCC[C@@H]2CCC[C@H](C1)C2 Amb27854596 [0,0,0,2,0,0|1,0,0]=3 3518 B13R2.5179 CC1CCCC2=CC(=O)CCC21 Amb17594083 [0,0,0,2,0,0|1,0,1]=4 3519 B13R2.5179 CC1CCCC2NC(=O)CCC12 Amb27815132 [0,0,0,2,0,0|1,0,0]=3 3520 B13R2.5179 CC1CCCC2NC(=S)CCC12 Amb28245762 [0,0,0,2,0,0|1,1,0]=4 3521 B13R2.5179 CC1NCCC2CC(=O)CCC21 Amb27259415 [0,0,0,2,0,0|2,0,0]=4 3522 B13R2.5179 CC1NCCC2NC(=O)CCC12 Amb28123726 [0,0,0,2,0,0|2,0,0]=4 3523 B13R2.5179 CN1CCCC2CC(=O)CCC21 Amb27876196 [0,0,0,2,0,0|2,0,0]=4 3524 B13R2.5179 C[C@@H]1CCCC2=CC(=O)CC[C@H]21 Amb27212471 [0,0,0,2,0,0|1,0,1]=4 3525 B13R2.5179 C[C@@H]1CCC[C@@H]2CC(=O)CCN12 Amb27428327 [0,0,0,2,0,0|2,0,0]=4 3526 B13R2.5179 C[C@H]1CCC[C@@H]2NC(=O)CC[C@H]12 Amb27790359 [0,0,0,2,0,0|1,0,0]=3 3527 B13R2.5179 C[C@H]1NCC[C@@H]2CC(=O)CC[C@@H]21 Amb27876628 [0,0,0,2,0,0|2,0,0]=4 3528 B13R2.5179 NC1CCCC2NC(=O)CCC12 Amb23452730 [0,0,0,2,0,0|2,0,0]=4 3529 B13R2.5331 O=C1CCCC(CNC2CC2)N1 Amb32721822 [0,0,0,2,0,0|2,0,0]=4 3530 B13R2.5331 O=C1CCOC(CCC2CC2)C1 Amb27231985 [0,0,0,2,0,0|2,0,0]=4 3531 B13R2.5331 O=C1COCC(CCC2CC2)N1 Amb27427476 [0,0,0,2,0,0|2,0,0]=4 3532 B13R2.11128 O=C1CC2(CCCCC2)CCN1 Amb28288238 [0,0,0,2,0,0|2,0,0]=4 3533 B13R2.11128 O=C1CC2(CCCCC2)CCO1 Amb24737335 [0,0,0,2,0,0|2,0,0]=4 3534 B13R2.11128 O=C1CCCC2(CCCCC2)C1 Amb4009192 [0,0,0,2,0,0|1,0,0]=3 3535 B13R2.11128 O=C1CCCC2(CCCCC2)N1 Amb25150848 [0,0,0,2,0,0|1,0,0]=3 3536 B13R2.11128 O=C1CCCC2(CCCNC2)N1 Amb27175663 [0,0,0,2,0,0|2,0,0]=4 3537 B13R2.11128 O=C1CCCC2(CCNCC2)N1 Amb10069947 [0,0,0,2,0,0|2,0,0]=4 3538 B13R2.11128 O=C1CCCC2(CCNCC2)N1 Amb24425488 [0,0,0,2,0,0|2,0,0]=4 3539 B13R2.11128 O=C1CCCC2(CCOCC2)N1 Amb27217339 [0,0,0,2,0,0|2,0,0]=4 3540 B13R2.11128 O=C1CCCC2(CCSCC2)N1 Amb32946780 [0,0,0,2,0,0|2,0,0]=4 3541 B13R2.11128 O=C1CCNC2(CCCCC2)C1 Amb18826926 [0,0,0,2,0,0|2,0,0]=4 3542 B13R2.11128 O=C1CCOC2(CCCCC2)C1 Amb18826491 [0,0,0,2,0,0|2,0,0]=4 3543 B13R2.11128 O=C1CCSC2(CCCCC2)C1 Amb18822698 [0,0,0,2,0,0|2,0,0]=4 3544 B13R2.11128 O=C1NCCC2(CCCCC2)N1 Amb27186676 [0,0,0,2,0,0|2,0,0]=4 3545 B13R2.11128 O=C1NCCC2(CCCCC2)O1 Amb26587318 [0,0,0,2,0,0|1,0,0]=3 3546 B13R2.11128 O=C1NCCC2(CCCNC2)O1 Amb27793859 [0,0,0,2,0,0|2,0,0]=4 3547 B13R2.11128 O=C1NCCC2(CCCSC2)O1 Amb24564764 [0,0,0,2,0,0|2,0,0]=4 3548 B13R2.11128 O=C1NCCC2(CCNCC2)O1 Amb21964417 [0,0,0,2,0,0|2,0,0]=4 3549 B13R2.11128 O=C1NCCC2(CCNCC2)O1 Amb22727974 [0,0,0,2,0,0|2,0,0]=4 3550 B13R2.11128 O=C1NCCC2(CCOCC2)O1 Amb25941938 [0,0,0,2,0,0|2,0,0]=4 3551 B13R2.11128 O=C1NCCC2(CCSCC2)O1 Amb26973157 [0,0,0,2,0,0|2,0,0]=4 3552 B13R2.11128 OC1CCCC2(CCCCC2)O1 Amb28455557 [0,0,0,2,0,0|0,0,2]=4 3553 B13R2.31 O=C1CC(CC2CCCCC2)N1 Amb27874554 [0,0,0,2,0,0|1,0,0]=3 3554 B13R2.31 O=C1CC(CN2CCCCC2)N1 Amb27389344 [0,0,0,2,0,0|2,0,0]=4 3555 B13R2.31 O=C1C[C@@H](CN2CCCCC2)N1 Amb27600063 [0,0,0,2,0,0|2,0,0]=4 3556 B13R2.90 COC1CCCCC12CC(=O)N2 Amb27179822 [0,0,0,2,0,0|2,0,0]=4 3557 B13R2.216 O=C1CC(C2CCCCC2O)N1 Amb27948675 [0,0,0,2,0,0|2,0,0]=4 3558 B13R2.216 O=C1C[C@H]([C@@H]2CCCC[C@@H]2O)N1 Amb28287306 [0,0,0,2,0,0|2,0,0]=4 3559 B13R2.458 CCCC1COCC12CC(=O)N2 Amb35616389 [0,0,0,2,0,0|2,0,0]=4 3560 B13R2.3475 CC1CCCCCC12CC(=O)N2 Amb35734084 [0,0,0,2,0,0|1,0,0]=3 3561 B13R2.4776 O=C1CC2(CCCCCCC2)N1 Amb27761969 [0,0,0,2,0,0|1,0,0]=3 3562 B13R2.4787 O=C1C[C@H]2CCCCCCC[C@H]12 Amb27433087 [0,0,0,2,0,0|1,0,0]=3 3563 B13R2.4787 O=C1NC2CCCCCCCC12 Amb27646369 [0,0,0,2,0,0|1,0,0]=3 3564 B13R2.4787 O=C1N[C@H]2CCCCCCC[C@@H]12 Amb27983514 [0,0,0,2,0,0|1,0,0]=3 3565 B13R2.4787 O=C1N[C@H]2CCCCCCC[C@H]12 Amb27841212 [0,0,0,2,0,0|1,0,0]=3 3566 B13R2.5283 O=C1CC(C2CCCCCC2)N1 Amb27475547 [0,0,0,2,0,0|1,0,0]=3 3567 B13R2.72 CC(=O)C1CC[C@H]2CCCC[C@@H]12 Amb27212467 [0,0,0,2,0,0|1,0,0]=3 3568 B13R2.72 CC(=O)C1COC2CCCCC21 Amb27660788 [0,0,0,2,0,0|2,0,0]=4 3569 B13R2.72 CC(=O)N1CCC2CCCCC21 Amb27178271 [0,0,0,2,0,0|2,0,0]=4 3570 B13R2.72 CC(=O)N1CC[C@@H]2CCCC[C@@H]21 Amb28208619 [0,0,0,2,0,0|2,0,0]=4 3571 B13R2.72 NC(=O)C1CC[C@H]2CCCC[C@@H]12 Amb27252173 [0,0,0,2,0,0|1,0,0]=3 3572 B13R2.72 NC(=O)C1CNC2CCCCC21 Amb19515220 [0,0,0,2,0,0|2,0,0]=4 3573 B13R2.72 NC(=O)C1COC2CCCCC21 Amb33229285 [0,0,0,2,0,0|2,0,0]=4 3574 B13R2.72 NC(=O)C1NCC2CCCCC21 Amb28398056 [0,0,0,2,0,0|2,0,0]=4 3575 B13R2.72 NC(=O)N1CCC2CCCCC21 Amb27965961 [0,0,0,2,0,0|2,0,0]=4 3576 B13R2.72 NC(=O)N1CC[C@@H]2CCCC[C@@H]21 Amb27247492 [0,0,0,2,0,0|2,0,0]=4 3577 B13R2.72 O=C(Cl)N1CCC2CCCCC21 Amb27444086 [0,0,0,2,0,0|2,0,0]=4 3578 B13R2.72 O=C(Cl)N1CC[C@@H]2CCCC[C@@H]21 Amb27856323 [0,0,0,2,0,0|2,0,0]=4 3579 B13R2.72 O=C(O)C1CCC2CCCCC21 Amb27805919 [0,0,0,2,0,0|0,0,0]=2 3580 B13R2.72 O=C(O)C1CCC2CCCCN21 Amb23441245 [0,0,0,2,0,0|1,0,0]=3 3581 B13R2.72 O=C(O)C1CCC2CCCCN21 Amb28555814 [0,0,0,2,0,0|1,0,0]=3 3582 B13R2.72 O=C(O)C1CCC2CNCCC21 Amb28344123 [0,0,0,2,0,0|1,0,0]=3 3583 B13R2.72 O=C(O)C1CCC2CNCCN21 Amb18825686 [0,0,0,2,0,0|2,0,0]=4 3584 B13R2.72 O=C(O)C1CCC2COCCN21 Amb18198666 [0,0,0,2,0,0|2,0,0]=4 3585 B13R2.72 O=C(O)C1CCC2CSCCN21 Amb18821366 [0,0,0,2,0,0|2,0,0]=4 3586 B13R2.72 O=C(O)C1CCN2CCCC[C@H]12 Amb18826018 [0,0,0,2,0,0|1,0,0]=3 3587 B13R2.72 O=C(O)C1CCN2CCNCC12 Amb18825633 [0,0,0,2,0,0|2,0,0]=4 3588 B13R2.72 O=C(O)C1CCN2CCOCC12 Amb18198647 [0,0,0,2,0,0|2,0,0]=4 3589 B13R2.72 O=C(O)C1CC[C@@H]2CCCC[C@H]12 Amb27858685 [0,0,0,2,0,0|0,0,0]=2 3590 B13R2.72 O=C(O)C1CC[C@H]2CCCCC12 Amb28290328 [0,0,0,2,0,0|0,0,0]=2 3591 B13R2.72 O=C(O)C1COC2CCCCC21 Amb23589677 [0,0,0,2,0,0|1,0,0]=3 3592 B13R2.72 O=C(O)C1NCC2CCCCC21 Amb18826042 [0,0,0,2,0,0|1,0,0]=3 3593 B13R2.72 O=C(O)C1OCC2COCCC21 Amb25895277 [0,0,0,2,0,0|2,0,0]=4 3594 B13R2.72 O=C(O)[C@@H]1CC[C@@H]2CCCC[C@H]21 Amb27201330 [0,0,0,2,0,0|0,0,0]=2 3595 B13R2.72 O=C(O)[C@@H]1CC[C@H]2CCCC[C@H]21 Amb27204924 [0,0,0,2,0,0|0,0,0]=2 3596 B13R2.72 O=C(O)[C@@H]1CO[C@@H]2CCCC[C@H]12 Amb32992598 [0,0,0,2,0,0|1,0,0]=3 3597 B13R2.72 O=C(O)[C@@H]1NCC2CCCCC21 Amb27629014 [0,0,0,2,0,0|1,0,0]=3 3598 B13R2.72 O=C(O)[C@@H]1NC[C@H]2CCCC[C@H]21 Amb33209360 [0,0,0,2,0,0|1,0,0]=3 3599 B13R2.72 O=C(O)[C@@H]1NC[C@H]2CCCC[C@H]21 Amb33465335 [0,0,0,2,0,0|1,0,0]=3 3600 B13R2.72 O=C(O)[C@@H]1OC[C@@H]2COCC[C@@H]21 Amb32992296 [0,0,0,2,0,0|2,0,0]=4 3601 B13R2.72 O=C(O)[C@H]1CC[C@@H]2CCCC[C@H]21 Amb27232967 [0,0,0,2,0,0|0,0,0]=2 3602 B13R2.72 O=C(O)[C@H]1CC[C@H]2CCCC[C@@H]12 Amb28457533 [0,0,0,2,0,0|0,0,0]=2 3603 B13R2.72 O=C(O)[C@H]1NC[C@H]2CCCC[C@@H]21 Amb25373956 [0,0,0,2,0,0|1,0,0]=3 3604 B13R2.163 NC1=NCCC2CCCCC2C1 Amb27657800 [0,0,0,2,0,0|2,0,0]=4 3605 B13R2.163 O=C1C=C2CCCCC2CCC1 Amb27177506 [0,0,0,2,0,0|1,0,1]=4 3606 B13R2.163 O=C1CC2CCCCN2CCN1 Amb26316859 [0,0,0,2,0,0|2,0,0]=4 3607 B13R2.163 O=C1CCC[C@@H]2CCCC[C@@H]2C1 Amb28457521 [0,0,0,2,0,0|1,0,0]=3 3608 B13R2.163 O=C1CCC[C@@H]2CCCC[C@H]2N1 Amb27220587 [0,0,0,2,0,0|1,0,0]=3 3609 B13R2.163 O=C1CCC[C@@H]2CCNC[C@H]2N1 Amb18826477 [0,0,0,2,0,0|2,0,0]=4 3610 B13R2.163 O=C1CCC[C@@H]2CNCC[C@H]2N1 Amb18826481 [0,0,0,2,0,0|2,0,0]=4 3611 B13R2.163 O=C1CCSC2CCCCC2N1 Amb28364400 [0,0,0,2,0,0|2,0,0]=4 3612 B13R2.163 O=C1COC[C@@H]2CCCC[C@@H]2N1 Amb27662094 [0,0,0,2,0,0|2,0,0]=4 3613 B13R2.163 O=C1COC[C@H]2CCCC[C@@H]2N1 Amb27790258 [0,0,0,2,0,0|2,0,0]=4 3614 B13R2.163 O=C1NCC[C@@H]2CCCC[C@H]2O1 Amb32992735 [0,0,0,2,0,0|1,0,0]=3 3615 B13R2.163 S=C1CCCC2CCCCC2N1 Amb28240524 [0,0,0,2,0,0|1,1,0]=4 3616 B13R2.328 CC1CC(=O)C2CCCCC2N1 Amb9782239 [0,0,0,2,0,0|2,0,0]=4 3617 B13R2.328 CC1CC(=O)C2CCCCC2O1 Amb18199232 [0,0,0,2,0,0|2,0,0]=4 3618 B13R2.328 CC1CC(=O)CC2CCCCC12 Amb27954151 [0,0,0,2,0,0|1,0,0]=3 3619 B13R2.328 CC1CC(=O)NC2CCCCC12 Amb27752074 [0,0,0,2,0,0|2,0,0]=4 3620 B13R2.328 CC1CC(=O)[C@H]2CCCC[C@@H]2N1 Amb27440499 [0,0,0,2,0,0|2,0,0]=4 3621 B13R2.328 CC1NC(=O)NC2CCCCC12 Amb27484875 [0,0,0,2,0,0|2,0,0]=4 3622 B13R2.328 CC1OC(=O)CC2CCCCC21 Amb28251218 [0,0,0,2,0,0|0,0,0]=2 3623 B13R2.328 CC1OC(=O)CC2CCNCC21 Amb27796182 [0,0,0,2,0,0|1,0,0]=3 3624 B13R2.328 CC1OC(=S)NC2CCCCC21 Amb27882832 [0,0,0,2,0,0|1,1,0]=4 3625 B13R2.328 CN1CC(=O)C[C@H]2CCCC[C@@H]21 Amb28253788 [0,0,0,2,0,0|2,0,0]=4 3626 B13R2.328 CN1CC(=O)[C@H]2CCCC[C@H]2C1 Amb27785509 [0,0,0,2,0,0|2,0,0]=4 3627 B13R2.328 C[C@@H]1CC(=O)[C@@H]2CCCC[C@H]2N1 Amb10608385 [0,0,0,2,0,0|2,0,0]=4 3628 B13R2.328 C[C@@H]1CC(=O)[C@H]2CCCC[C@@H]2N1 Amb22757987 [0,0,0,2,0,0|2,0,0]=4 3629 B13R2.328 C[C@@H]1OC(=O)N[C@H]2CCCC[C@@H]21 Amb27818042 [0,0,0,2,0,0|1,0,0]=3 3630 B13R2.328 C[C@@H]1OC(=S)N[C@H]2CCCC[C@@H]21 Amb28132309 [0,0,0,2,0,0|1,1,0]=4 3631 B13R2.328 C[C@H]1CC(=O)C[C@@H]2CCCCN12 Amb27789899 [0,0,0,2,0,0|2,0,0]=4 3632 B13R2.328 C[C@H]1CC(=O)[C@@H]2CCCC[C@@H]2N1 Amb27794463 [0,0,0,2,0,0|2,0,0]=4 3633 B13R2.328 C[C@H]1CC(=O)[C@@H]2CCCC[C@H]2N1 Amb10608650 [0,0,0,2,0,0|2,0,0]=4 3634 B13R2.328 O=C1CC(O)C2CCCCC2C1 Amb27176018 [0,0,0,2,0,0|2,0,0]=4 3635 B13R2.545 O=C(O)CC1CCCCC12CC2 Amb18826489 [0,0,0,2,0,0|0,0,0]=2 3636 B13R2.545 O=C(O)CC1CCSCC12CC2 Amb18821902 [0,0,0,2,0,0|1,0,0]=3 3637 B13R2.621 CCC1CCCCC1CC2CO2 Amb28070892 [0,0,0,2,0,0|1,0,1]=4 3638 B13R2.683 O=C(O)C[C@]12CCCC[C@H]1NC2 Amb27231785 [0,0,0,2,0,0|1,0,0]=3 3639 B13R2.689 CC(=O)CN1C2CCCC1CC2 Amb27784422 [0,0,0,2,0,0|2,0,0]=4 3640 B13R2.689 NC(=O)CN1C2CCCC1CC2 Amb27448643 [0,0,0,2,0,0|2,0,0]=4 3641 B13R2.689 O=C(O)CC1C2CCC1CNC2 Amb24697034 [0,0,0,2,0,0|1,0,0]=3 3642 B13R2.689 O=C(O)CN1C2CCC1CNC2 Amb25701772 [0,0,0,2,0,0|2,0,0]=4 3643 B13R2.689 O=C(O)CN1C2CCC1COC2 Amb35596322 [0,0,0,2,0,0|2,0,0]=4 3644 B13R2.1282 CC(=O)CN1CCC2CCC1C2 Amb27164560 [0,0,0,2,0,0|2,0,0]=4 3645 B13R2.1282 CC(=O)NC1CCC2CCC1C2 Amb27390099 [0,0,0,2,0,0|2,0,0]=4 3646 B13R2.1282 CC(=O)N[C@H]1CC[C@H]2CC[C@@H]1C2 Amb28197166 [0,0,0,2,0,0|2,0,0]=4 3647 B13R2.1282 O=C(O)CC1CCN2CCC1C2 Amb27778426 [0,0,0,2,0,0|1,0,0]=3 3648 B13R2.1282 O=C(O)CN1CCN2CCC1C2 Amb25957840 [0,0,0,2,0,0|2,0,0]=4 3649 B13R2.1287 CC(=O)CC1CC2CCC1CC2 Amb35721834 [0,0,0,2,0,0|1,0,0]=3 3650 B13R2.1287 CC(=O)CN1CC2CCC1CC2 Amb28122397 [0,0,0,2,0,0|2,0,0]=4 3651 B13R2.1287 CC(O)CC1CC2CCC1CC2 Amb35726181 [0,0,0,2,0,0|1,0,1]=4 3652 B13R2.1287 N=C(N)CC1CC2CCC1CC2 Amb35726312 [0,0,0,2,0,0|2,0,0]=4 3653 B13R2.1287 NC(=O)NC1CC2CCC1CC2 Amb28239816 [0,0,0,2,0,0|2,0,0]=4 3654 B13R2.1287 NC(=S)CC1CC2CCC1CC2 Amb35726394 [0,0,0,2,0,0|1,1,0]=4 3655 B13R2.1287 O=C(Cl)NC1CC2CCC1CC2 Amb35633312 [0,0,0,2,0,0|2,0,0]=4 3656 B13R2.1287 O=C(O)CC1CC2CCN1CC2 Amb28239819 [0,0,0,2,0,0|1,0,0]=3 3657 B13R2.1287 O=C(O)CC1CN2CCC1CC2 Amb10777454 [0,0,0,2,0,0|1,0,0]=3 3658 B13R2.1287 O=C(O)CC1CN2CCC1CC2 Amb7777402 [0,0,0,2,0,0|1,0,0]=3 3659 B13R2.1287 O=C(O)CC1CN2CCN1CC2 Amb33620719 [0,0,0,2,0,0|2,0,0]=4 3660 B13R2.1287 O=C(O)CN1CC2CCC1CC2 Amb8010622 [0,0,0,2,0,0|1,0,0]=3 3661 B13R2.1287 O=C(O)C[C@@H]1C[C@@H]2C=C[C@H]1CC2 Amb28052101 [0,0,0,2,0,0|0,0,2]=4 3662 B13R2.1287 O=C(O)C[C@@H]1C[C@@H]2CC[C@H]1NC2 Amb28384487 [0,0,0,2,0,0|1,0,0]=3 3663 B13R2.1287 O=C(O)C[C@@H]1C[C@H]2CC[C@@H]1NC2 Amb27816142 [0,0,0,2,0,0|1,0,0]=3 3664 B13R2.1287 OB(O)CC1CC2CCC1CC2 Amb35733845 [0,0,0,2,0,0|1,0,1]=4 3665 B13R2.2363 O=C1CC2CCCCC2(CI)O1 Amb25036237 [0,0,0,2,0,0|1,0,0]=3 3666 B13R2.2363 O=C1C[C@@H]2CCCC[C@]2(CI)O1 Amb32667415 [0,0,0,2,0,0|1,0,0]=3 3667 B13R2.2363 O=C1C[C@H]2CCCC[C@]2(CI)O1 Amb34915333 [0,0,0,2,0,0|1,0,0]=3 3668 B13R2.2377 CCN1C2CCCC1CC(=O)C2 Amb18798931 [0,0,0,2,0,0|2,0,0]=4 3669 B13R2.210 O=C1CCC[C@@H]2CCC[C@@H]2CC1 Amb27854965 [0,0,0,2,0,0|1,0,0]=3 3670 B13R2.210 OC1CCCC2CCCC2CC1 Amb27826540 [0,0,0,2,0,0|1,0,1]=4 3671 B13R2.430 NC(=O)C1CCC2CCCC2C1 Amb27794843 [0,0,0,2,0,0|1,0,0]=3 3672 B13R2.430 O=C(O)C1=C[C@H]2CCC[C@H]2CC1 Amb27816144 [0,0,0,2,0,0|0,0,2]=4 3673 B13R2.430 O=C(O)C1CC=C2CCCC2C1 Amb9783347 [0,0,0,2,0,0|0,0,2]=4 3674 B13R2.430 O=C(O)C1CCC2CCCC2N1 Amb25828484 [0,0,0,2,0,0|1,0,0]=3 3675 B13R2.430 O=C(O)C1CCC2CCNC2C1 Amb28345608 [0,0,0,2,0,0|1,0,0]=3 3676 B13R2.430 O=C(O)C1CCC2CNCC2C1 Amb18825999 [0,0,0,2,0,0|1,0,0]=3 3677 B13R2.430 O=C(O)C1CCC2NCCC2C1 Amb27954757 [0,0,0,2,0,0|1,0,0]=3 3678 B13R2.430 O=C(O)C1CCN2CCCC2C1 Amb18826004 [0,0,0,2,0,0|1,0,0]=3 3679 B13R2.430 O=C(O)C1CN2CCCC2CN1 Amb18647395 [0,0,0,2,0,0|2,0,0]=4 3680 B13R2.430 O=C(O)C1CN2CCCC2CO1 Amb24417843 [0,0,0,2,0,0|2,0,0]=4 3681 B13R2.430 O=C(O)C1CN2CCCC2CO1 Amb28963343 [0,0,0,2,0,0|2,0,0]=4 3682 B13R2.430 O=C(O)[C@@H]1CCN2CCC[C@@H]2C1 Amb33803157 [0,0,0,2,0,0|1,0,0]=3 3683 B13R2.430 O=C(O)[C@@H]1CC[C@H]2CCC[C@H]2C1 Amb27231830 [0,0,0,2,0,0|0,0,0]=2 3684 B13R2.430 O=C(O)[C@H]1CC[C@@H]2CCCN2C1 Amb27961452 [0,0,0,2,0,0|1,0,0]=3 3685 B13R2.430 O=C(O)[C@H]1CC[C@H]2CCC[C@@H]2C1 Amb27444600 [0,0,0,2,0,0|0,0,0]=2 3686 B13R2.430 O=C(O)[C@H]1CN2CCC[C@@H]2CO1 Amb27848118 [0,0,0,2,0,0|2,0,0]=4 3687 B13R2.430 O=C(O)[C@H]1CN2CCC[C@H]2CO1 Amb24740914 [0,0,0,2,0,0|2,0,0]=4 3688 B13R2.687 CC(=O)CC1NCC2CCCC21 Amb26613800 [0,0,0,2,0,0|2,0,0]=4 3689 B13R2.687 CC(=O)C[C@@H]1CC[C@H]2CCC[C@@H]12 Amb27427773 [0,0,0,2,0,0|1,0,0]=3 3690 B13R2.687 CC(=O)N[C@H]1CC[C@H]2CCC[C@@H]12 Amb27202556 [0,0,0,2,0,0|2,0,0]=4 3691 B13R2.687 O=C(O)CC1CCC2CCCC21 Amb27607708 [0,0,0,2,0,0|0,0,0]=2 3692 B13R2.687 O=C(O)CC1CCN2CCCC12 Amb18826008 [0,0,0,2,0,0|1,0,0]=3 3693 B13R2.687 O=C(O)CC1CSC2CNCC12 Amb18821373 [0,0,0,2,0,0|2,0,0]=4 3694 B13R2.687 O=C(O)CN1CC[C@@H]2CNC[C@@H]21 Amb28144925 [0,0,0,2,0,0|2,0,0]=4 3695 B13R2.687 O=C(O)C[C@@H]1CC[C@H]2CCC[C@@H]12 Amb28052117 [0,0,0,2,0,0|0,0,0]=2 3696 B13R2.687 O=C(O)C[C@@H]1NC[C@@H]2CCC[C@H]12 Amb33495960 [0,0,0,2,0,0|1,0,0]=3 3697 B13R2.1466 C=CC1CC2CC1CC2C(=O)O Amb27777195 [0,0,0,2,0,0|0,0,2]=4 3698 B13R2.1466 C=C[C@H]1C[C@H]2C[C@@H]1CC2C(=O)O Amb27420002 [0,0,0,2,0,0|0,0,2]=4 3699 B13R2.2603 CCC1COCC12CC2C(=O)O Amb35635723 [0,0,0,2,0,0|1,0,0]=3 3700 B13R2.3156 O=C(O)C#CC1CCCC12CC2 Amb33169079 [0,0,0,2,0,0|0,0,2]=4 3701 B13R2.5551 CC(=O)CCC1CC2CCC1C2 Amb27447988 [0,0,0,2,0,0|1,0,0]=3 3702 B13R2.5551 CC(=O)CCC1CC2CCC1O2 Amb32874099 [0,0,0,2,0,0|2,0,0]=4 3703 B13R2.5551 CC(=O)CCN1CC2CCC1C2 Amb18792964 [0,0,0,2,0,0|2,0,0]=4 3704 B13R2.5551 CC(=O)CC[C@@H]1C[C@@H]2CC[C@@H]1C2 Amb27974644 [0,0,0,2,0,0|1,0,0]=3 3705 B13R2.5551 CC(=O)CSC1CC2CCC1C2 Amb27835671 [0,0,0,2,0,0|2,0,0]=4 3706 B13R2.5551 CC(=O)NCC1CC2CCC1C2 Amb27982421 [0,0,0,2,0,0|2,0,0]=4 3707 B13R2.5551 CC(=O)OCC1CC2CCC1C2 Amb534702 [0,0,0,2,0,0|2,0,0]=4 3708 B13R2.5551 CC(O)CCC1CC2CCC1C2 Amb26372135 [0,0,0,2,0,0|1,0,1]=4 3709 B13R2.5551 C[C@@H](O)CCC1CC2CCC1C2 Amb33143338 [0,0,0,2,0,0|1,0,1]=4 3710 B13R2.5551 C[C@H](O)CCC1CC2CCC1C2 Amb33143339 [0,0,0,2,0,0|1,0,1]=4 3711 B13R2.5551 NC(=O)CCC1CC2CCC1C2 Amb27646412 [0,0,0,2,0,0|1,0,0]=3 3712 B13R2.5551 O=C(Cl)NCC1CC2CCC1C2 Amb35625877 [0,0,0,2,0,0|2,0,0]=4 3713 B13R2.5551 O=C(O)C#CC1CC2CCC1C2 Amb28061987 [0,0,0,2,0,0|0,0,2]=4 3714 B13R2.5551 O=C(O)CCC1CC2C=CC1C2 Amb24373820 [0,0,0,2,0,0|0,0,2]=4 3715 B13R2.5551 O=C(O)CCC1CC2CCC1C2 Amb24692916 [0,0,0,2,0,0|0,0,0]=2 3716 B13R2.5551 O=C(O)CCC1CC2CCC1O2 Amb32876102 [0,0,0,2,0,0|1,0,0]=3 3717 B13R2.5551 O=C(O)CCN1CC2CC1CN2 Amb35729206 [0,0,0,2,0,0|2,0,0]=4 3718 B13R2.5551 O=C(O)CCN1CC2CCC1C2 Amb10608579 [0,0,0,2,0,0|1,0,0]=3 3719 B13R2.5551 O=C(O)CCN1CC2CCC1C2 Amb17622303 [0,0,0,2,0,0|1,0,0]=3 3720 B13R2.5551 O=C(O)CCN1C[C@@H]2CC[C@H]1C2 Amb25978923 [0,0,0,2,0,0|1,0,0]=3 3721 B13R2.5551 O=C(O)COC1CC2CCC1C2 Amb26883203 [0,0,0,2,0,0|1,0,0]=3 3722 B13R2.5551 O=C(O)COC1CC2CCC1O2 Amb32874073 [0,0,0,2,0,0|2,0,0]=4 3723 B13R2.5551 O=C(O)CO[C@H]1C[C@H]2CC[C@@H]1C2 Amb27634951 [0,0,0,2,0,0|1,0,0]=3 3724 B13R2.5551 O=C(O)CSC1CC2CCC1C2 Amb27862976 [0,0,0,2,0,0|1,0,0]=3 3725 B13R2.5551 O=C(O)\C=C\C1CC2CCC1C2 Amb32751211 [0,0,0,2,0,0|0,0,2]=4 3726 B13R2.5551 O=C(O)\C=C\C1C[C@@H]2CC[C@H]1C2 Amb28069159 [0,0,0,2,0,0|0,0,2]=4 3727 B13R2.5551 O=[N+]([O-])CCC1CC2CCC1C2 Amb33143314 [0,0,0,2,0,0|1,0,1]=4 3728 B13R2.7243 CCC12CCCC1CCC(=O)C2 Amb27176087 [0,0,0,2,0,0|1,0,0]=3 3729 B13R2.9384 N#CC1C2CCC1C(C(=O)O)C2 Amb28197568 [0,0,0,2,0,0|1,0,1]=4 3730 B13R2.33 O=C1CC[C@H]2CCCC[C@@H]2OC1 Amb28052365 [0,0,0,2,0,0|2,0,0]=4 3731 B13R2.34 CC12CCCCC1CCC(=O)C2 Amb17594140 [0,0,0,2,0,0|1,0,0]=3 3732 B13R2.34 C[C@]12CCCC[C@@H]1CC[C@H](O)C2 Amb28053663 [0,0,0,2,0,0|1,0,1]=4 3733 B13R2.34 C[C@]12CCCC[C@H]1CCC(=O)C2 Amb28054012 [0,0,0,2,0,0|1,0,0]=3 3734 B13R2.34 C[C@]12CCCC[C@H]1CCC(O)C2 Amb28429758 [0,0,0,2,0,0|1,0,1]=4 3735 B13R2.34 O=C1CCC2CCCCC2(O)N1 Amb27178277 [0,0,0,2,0,0|2,0,0]=4 3736 B13R2.34 O=C1CCC2CCCCC2(O)O1 Amb610421 [0,0,0,2,0,0|1,0,0]=3 3737 B13R2.34 O=C1CC[C@@H]2CCCC[C@@]2(O)C1 Amb27433117 [0,0,0,2,0,0|2,0,0]=4 3738 B13R2.34 O=C1CC[C@H]2CCCC[C@]2(O)C1 Amb28144047 [0,0,0,2,0,0|2,0,0]=4 3739 B13R2.34 O=C1CC[C@H]2CCCC[C@]2(O)N1 Amb27439052 [0,0,0,2,0,0|2,0,0]=4 3740 B13R2.435 CC(=O)C1CC2CCCCN2C1 Amb27201768 [0,0,0,2,0,0|2,0,0]=4 3741 B13R2.435 CC(=O)C1C[C@H]2CCCC[C@@H]2C1 Amb28202216 [0,0,0,2,0,0|1,0,0]=3 3742 B13R2.435 NC(=O)C1CC2CCCCC2C1 Amb28428417 [0,0,0,2,0,0|1,0,0]=3 3743 B13R2.435 NC(=O)C1CC2CCCCC2N1 Amb9728051 [0,0,0,2,0,0|2,0,0]=4 3744 B13R2.435 NC(=O)C1CC2CCCCN2C1 Amb19515513 [0,0,0,2,0,0|2,0,0]=4 3745 B13R2.435 NC(=O)N1CC2CCCCC2C1 Amb28281463 [0,0,0,2,0,0|2,0,0]=4 3746 B13R2.435 NC(=O)N1C[C@H]2CCCC[C@H]2C1 Amb28143307 [0,0,0,2,0,0|2,0,0]=4 3747 B13R2.435 NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 Amb25236898 [0,0,0,2,0,0|2,0,0]=4 3748 B13R2.435 O=C(Cl)N1C[C@H]2CCCC[C@H]2C1 Amb25953869 [0,0,0,2,0,0|2,0,0]=4 3749 B13R2.435 O=C(O)C1=NC2CCCCC2C1 Amb28123112 [0,0,0,2,0,0|1,0,1]=4 3750 B13R2.435 O=C(O)C1CC2CC=CCC2C1 Amb2695402 [0,0,0,2,0,0|0,0,2]=4 3751 B13R2.435 O=C(O)C1CC2CCCCC2=N1 Amb27880926 [0,0,0,2,0,0|1,0,1]=4 3752 B13R2.435 O=C(O)C1CC2CCCCC2C1 Amb18647052 [0,0,0,2,0,0|0,0,0]=2 3753 B13R2.435 O=C(O)C1CC2CCCCC2N1 Amb9703204 [0,0,0,2,0,0|1,0,0]=3 3754 B13R2.435 O=C(O)C1CC2CCCCN2C1 Amb10606352 [0,0,0,2,0,0|1,0,0]=3 3755 B13R2.435 O=C(O)C1CC2CCCCN2C1 Amb19149350 [0,0,0,2,0,0|1,0,0]=3 3756 B13R2.435 O=C(O)C1CC2CCNCC2C1 Amb24681595 [0,0,0,2,0,0|1,0,0]=3 3757 B13R2.435 O=C(O)C1CC2CCOCC2N1 Amb18198665 [0,0,0,2,0,0|2,0,0]=4 3758 B13R2.435 O=C(O)C1CC2CCSCC2N1 Amb18821371 [0,0,0,2,0,0|2,0,0]=4 3759 B13R2.435 O=C(O)C1CC2CNCCN2C1 Amb18825632 [0,0,0,2,0,0|2,0,0]=4 3760 B13R2.435 O=C(O)C1CC2COCCC2N1 Amb18198664 [0,0,0,2,0,0|2,0,0]=4 3761 B13R2.435 O=C(O)C1CC2COCCN2C1 Amb33330144 [0,0,0,2,0,0|2,0,0]=4 3762 B13R2.435 O=C(O)C1CC2CSCCC2N1 Amb18821372 [0,0,0,2,0,0|2,0,0]=4 3763 B13R2.435 O=C(O)C1CC2OCCCC2N1 Amb18198663 [0,0,0,2,0,0|2,0,0]=4 3764 B13R2.435 O=C(O)C1CC2SCCCC2N1 Amb18821370 [0,0,0,2,0,0|2,0,0]=4 3765 B13R2.435 O=C(O)C1C[C@@H]2CCCC[C@@H]2N1 Amb24184035 [0,0,0,2,0,0|1,0,0]=3 3766 B13R2.435 O=C(O)C1C[C@@H]2CCCC[C@H]2O1 Amb35750220 [0,0,0,2,0,0|1,0,0]=3 3767 B13R2.435 O=C(O)C1C[C@H]2CCCC[C@@H]2C1 Amb28458485 [0,0,0,2,0,0|0,0,0]=2 3768 B13R2.435 O=C(O)C1C[C@H]2CCCC[C@@H]2N1 Amb28321382 [0,0,0,2,0,0|1,0,0]=3 3769 B13R2.435 O=C(O)[C@@H]1CC2CCCC[C@@H]2N1 Amb27779306 [0,0,0,2,0,0|1,0,0]=3 3770 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCCC2N1 Amb26418490 [0,0,0,2,0,0|1,0,0]=3 3771 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 Amb1157219 [0,0,0,2,0,0|1,0,0]=3 3772 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1 Amb24606879 [0,0,0,2,0,0|1,0,0]=3 3773 B13R2.435 O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1 Amb16233005 [0,0,0,2,0,0|1,0,0]=3 3774 B13R2.435 O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1 Amb8394829 [0,0,0,2,0,0|1,0,0]=3 3775 B13R2.435 O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1 Amb22752915 [0,0,0,2,0,0|1,0,0]=3 3776 B13R2.435 O=C(O)[C@H]1CC2CCCCC2N1 Amb8385989 [0,0,0,2,0,0|1,0,0]=3 3777 B13R2.435 O=C(O)[C@H]1C[C@@H]2CCCC[C@@H]2C1 Amb27425241 [0,0,0,2,0,0|0,0,0]=2 3778 B13R2.435 O=C(O)[C@H]1C[C@@H]2CCCC[C@@H]2N1 Amb8394828 [0,0,0,2,0,0|1,0,0]=3 3779 B13R2.435 O=C(O)[C@H]1C[C@@H]2CCCC[C@H]2N1 Amb27803728 [0,0,0,2,0,0|1,0,0]=3 3780 B13R2.435 O=C(O)[C@H]1C[C@@H]2CNCCN2C1 Amb27453690 [0,0,0,2,0,0|2,0,0]=4 3781 B13R2.435 O=C(O)[C@H]1C[C@H]2CCCC[C@@H]2N1 Amb26528133 [0,0,0,2,0,0|1,0,0]=3 3782 B13R2.435 O=C(O)[C@H]1C[C@H]2CCCC[C@H]2N1 Amb24624093 [0,0,0,2,0,0|1,0,0]=3 3783 B13R2.435 O=C(O)[C@H]1C[C@H]2OCCC[C@H]2O1 Amb28052138 [0,0,0,2,0,0|2,0,0]=4 3784 B13R2.3101 CC1COCCC12CC2C(=O)O Amb27474448 [0,0,0,2,0,0|1,0,0]=3 3785 B13R2.3101 O=C(O)C1CC12CCCCC2=O Amb24366021 [0,0,0,2,0,0|1,0,1]=4 3786 B13R2.3863 O=C(O)[C@H]1C[C@H]2CCC[C@@H]1[C@@H]2Cl Amb27192130 [0,0,0,2,0,0|1,0,0]=3 3787 B13R2.4742 CC1CN2CCN1CC2C(=O)O Amb32693421 [0,0,0,2,0,0|2,0,0]=4 3788 B13R2.4742 CN1CC2CCC1CC2C(=O)O Amb27959006 [0,0,0,2,0,0|1,0,0]=3 3789 B13R2.4742 N[C@H]1C[C@H]2CC[C@H]1C[C@@H]2C(=O)O Amb27865638 [0,0,0,2,0,0|1,0,0]=3 3790 B13R2.4742 O=C(O)[C@@H]1C[C@H]2CC[C@H]1C[C@H]2O Amb27201317 [0,0,0,2,0,0|1,0,0]=3 3791 B13R2.4823 CN1CCCC2C(CC(=O)O)C21 Amb27202777 [0,0,0,2,0,0|1,0,0]=3 3792 B13R2.4958 NC1CC2CCC1C2CC(=O)O Amb26861320 [0,0,0,2,0,0|1,0,0]=3 3793 B13R2.5531 CC(=O)NCC12CCCCC1C2 Amb35682216 [0,0,0,2,0,0|2,0,0]=4 3794 B13R2.5531 NC(=O)CNC12CCCCC1C2 Amb35727745 [0,0,0,2,0,0|2,0,0]=4 3795 B13R2.5531 NC(=O)NCC12CCCCC1C2 Amb30010184 [0,0,0,2,0,0|2,0,0]=4 3796 B13R2.5531 O=C(Cl)NCC12CCCCC1C2 Amb35636897 [0,0,0,2,0,0|2,0,0]=4 3797 B13R2.5531 O=C(O)C#CC12CCCCC1C2 Amb35735663 [0,0,0,2,0,0|0,0,2]=4 3798 B13R2.5531 O=C(O)CNC12CCCCC1C2 Amb35692497 [0,0,0,2,0,0|1,0,0]=3 3799 B13R2.5881 NC(=O)CN1CC2CCCCC21 Amb28048011 [0,0,0,2,0,0|2,0,0]=4 3800 B13R2.5881 NC(=O)CN1C[C@H]2CCCC[C@H]21 Amb27200831 [0,0,0,2,0,0|2,0,0]=4 3801 B13R2.13856 CC(=O)CCN1CCCC2CC21 Amb27485509 [0,0,0,2,0,0|2,0,0]=4 3802 B13R2.13856 CC(=O)CCN1CCC[C@@H]2C[C@@H]21 Amb27979251 [0,0,0,2,0,0|2,0,0]=4 3803 B13R2.13856 CC(=O)NCC1CCCC2CC12 Amb35742527 [0,0,0,2,0,0|2,0,0]=4 3804 B13R2.13856 NC(=O)NCC1CCCC2CC12 Amb35655671 [0,0,0,2,0,0|2,0,0]=4 3805 B13R2.13856 O=C(Cl)NCC1CCCC2CC12 Amb35636899 [0,0,0,2,0,0|2,0,0]=4 3806 B13R2.13856 O=C(O)C#CC1CCCC2CC12 Amb30007967 [0,0,0,2,0,0|0,0,2]=4 3807 B13R2.13856 O=C(O)CCN1CCCC2CC21 Amb27455973 [0,0,0,2,0,0|1,0,0]=3 3808 B13R2.13856 O=C(O)CCN1CCOC2CC21 Amb27222521 [0,0,0,2,0,0|2,0,0]=4 3809 B13R2.13856 O=C(O)CNC1CCCC2CC21 Amb27647732 [0,0,0,2,0,0|1,0,0]=3 3810 B13R2.543 CC(=O)CN1CC2CCCC2C1 Amb27616711 [0,0,0,2,0,0|2,0,0]=4 3811 B13R2.543 CC(=O)N[C@@H]1C[C@@H]2CCC[C@@H]2C1 Amb28243878 [0,0,0,2,0,0|2,0,0]=4 3812 B13R2.543 CC(=O)N[C@H]1C[C@@H]2CCC[C@@H]2C1 Amb27254220 [0,0,0,2,0,0|2,0,0]=4 3813 B13R2.543 CC(O)CC1CC2CCCC2C1 Amb27417093 [0,0,0,2,0,0|1,0,1]=4 3814 B13R2.543 O=C(O)CC1CC2CCCC2C1 Amb27792902 [0,0,0,2,0,0|0,0,0]=2 3815 B13R2.543 O=C(O)CC1CC2CCCN2C1 Amb27847118 [0,0,0,2,0,0|1,0,0]=3 3816 B13R2.543 O=C(O)CC1CC2OCCC2O1 Amb35788752 [0,0,0,2,0,0|2,0,0]=4 3817 B13R2.543 O=C(O)CN1CC2CCCC2C1 Amb27409163 [0,0,0,2,0,0|1,0,0]=3 3818 B13R2.3437 CC1OCCC1C2CC2C(=O)O Amb33225341 [0,0,0,2,0,0|1,0,0]=3 3819 B13R2.3437 CC1OCCC1[C@@H]2C[C@H]2C(=O)O Amb33427674 [0,0,0,2,0,0|1,0,0]=3 3820 B13R2.3437 CN1CCCC1C2CC2C(=O)O Amb27261709 [0,0,0,2,0,0|1,0,0]=3 3821 B13R2.3732 CC(=O)C1CC[C@@H]2C(F)CC[C@H]12 Amb27256457 [0,0,0,2,0,0|2,0,0]=4 3822 B13R2.3732 CN1CCC2C(C(=O)O)NCC21 Amb18825685 [0,0,0,2,0,0|2,0,0]=4 3823 B13R2.3732 CN1CCC2C(C(=O)O)OCC21 Amb18198643 [0,0,0,2,0,0|2,0,0]=4 3824 B13R2.3732 CN1CCC2C(C(=O)O)SCC21 Amb18821365 [0,0,0,2,0,0|2,0,0]=4 3825 B13R2.3732 NC1CCC2C(C(=O)O)CCC12 Amb27178200 [0,0,0,2,0,0|1,0,0]=3 3826 B13R2.4849 CC1CCC2CC(O)CCCC12 Amb28350174 [0,0,0,2,0,0|1,0,1]=4 3827 B13R2.4983 O=C(O)[C@H]1CC[C@@H]2C[C@H]1CC2=O Amb27252206 [0,0,0,2,0,0|1,0,1]=4 3828 B13R2.4983 O=C1CC2CC1CCC2C(=O)O Amb28290384 [0,0,0,2,0,0|1,0,1]=4 3829 B13R2.11877 CC(=O)C1CCC2CCC1N2C Amb27153175 [0,0,0,2,0,0|2,0,0]=4 3830 B13R2.11877 CC(=O)[C@@H]1CC[C@@H]2CC[C@H]1N2C Amb28052358 [0,0,0,2,0,0|2,0,0]=4 3831 B13R2.11877 CN1C2CCC(C(=O)O)C1CC2 Amb27955851 [0,0,0,2,0,0|1,0,0]=3 3832 B13R2.4023 O=C1OC(=O)[C@@H]2CCCCC[C@H]12 Amb22356765 [0,0,0,2,0,0|1,0,1]=4 3833 B13R2.4746 C[C@]12CCCCC[C@@H]1CC(=O)C2 Amb28052368 [0,0,0,2,0,0|1,0,0]=3 3834 B13R2.4746 C[C@]12CCCCC[C@H]1CC(=O)C2 Amb28457464 [0,0,0,2,0,0|1,0,0]=3 3835 B13R2.5226 O=C1CCCCCCC[C@H]2C[C@@H]12 Amb27640532 [0,0,0,2,0,0|1,0,0]=3 3836 B13R2.191 CC1CC12CCCC2CC(=O)O Amb33494118 [0,0,0,2,0,0|0,0,0]=2 3837 B13R2.5542 CC(=O)CCC1CCC2CC2C1 Amb35704797 [0,0,0,2,0,0|1,0,0]=3 3838 B13R2.5542 CC(=O)CCN1CCC2CC2C1 Amb35631234 [0,0,0,2,0,0|2,0,0]=4 3839 B13R2.5542 CC(=O)NCC1CCC2CC2C1 Amb35715087 [0,0,0,2,0,0|2,0,0]=4 3840 B13R2.5542 CC(O)CCC1CCC2CC2C1 Amb35703766 [0,0,0,2,0,0|1,0,1]=4 3841 B13R2.5542 NC(=O)CCN1CCC2CC2C1 Amb29855389 [0,0,0,2,0,0|2,0,0]=4 3842 B13R2.5542 NC(=O)CNC1CCC2CC2C1 Amb35703701 [0,0,0,2,0,0|2,0,0]=4 3843 B13R2.5542 NC(=O)NCC1CCC2CC2C1 Amb35714809 [0,0,0,2,0,0|2,0,0]=4 3844 B13R2.5542 O=C(Cl)NCC1CCC2CC2C1 Amb35636891 [0,0,0,2,0,0|2,0,0]=4 3845 B13R2.5542 O=C(O)C#CC1CCC2CC2C1 Amb33169072 [0,0,0,2,0,0|0,0,2]=4 3846 B13R2.5542 O=C(O)CCC1CCC2CC2C1 Amb30019267 [0,0,0,2,0,0|0,0,0]=2 3847 B13R2.5542 O=C(O)CCN1CCC2CC2C1 Amb30006748 [0,0,0,2,0,0|1,0,0]=3 3848 B13R2.5542 O=C(O)CNC1CCC2CC2C1 Amb35699414 [0,0,0,2,0,0|1,0,0]=3 3849 B13R2.5542 O=C(O)\C=C\C1CCC2CC2C1 Amb35663501 [0,0,0,2,0,0|0,0,2]=4 3850 B13R2.5852 NC(=O)CCN1CCC12CCC2 Amb27664890 [0,0,0,2,0,0|2,0,0]=4 3851 B13R2.5852 O=C(O)CCN1CCC12CCC2 Amb27598175 [0,0,0,2,0,0|1,0,0]=3 3852 B13R2.218 O=C1CCCCC2CCCC2C1 Amb28351378 [0,0,0,2,0,0|1,0,0]=3 3853 B13R2.218 O=C1CCCC[C@@H]2CCC[C@@H]2C1 Amb28285836 [0,0,0,2,0,0|1,0,0]=3 3854 B13R2.218 O=C1CCCC[C@@H]2CCC[C@H]2C1 Amb28199945 [0,0,0,2,0,0|1,0,0]=3 3855 B13R2.218 O=C1CCCC[C@@H]2NCC[C@H]2N1 Amb30527616 [0,0,0,2,0,0|2,0,0]=4 3856 B13R2.218 OC1CCCCC2CCCC2C1 Amb28078926 [0,0,0,2,0,0|1,0,1]=4 3857 B13R2.218 O[C@@H]1CCCC[C@@H]2CCC[C@H]2C1 Amb27207770 [0,0,0,2,0,0|1,0,1]=4 3858 B13R2.3047 O=C1NCCCNC2CCCC12 Amb27841423 [0,0,0,2,0,0|2,0,0]=4 3859 B13R2.4718 O=C1N[C@@H]2CCCC[C@H]1CNC2 Amb28346860 [0,0,0,2,0,0|2,0,0]=4 3860 B13R2.5011 O=C1CC2CCCC(CCC2)N1 Amb27494164 [0,0,0,2,0,0|1,0,0]=3 3861 B13R2.393 O=C1CCCCC2OC2CCC1 Amb32620332 [0,0,0,2,0,0|2,0,0]=4 3862 B13R2.2744 CO[C@H]1[C@H](C(C)=O)CC[C@H]2C[C@H]21 Amb28457496 [0,0,0,2,0,0|2,0,0]=4 3863 B13R2.5572 O=C(O)C1CCCC2CC2CC1 Amb32656316 [0,0,0,2,0,0|0,0,0]=2 3864 B13R2.13972 CC(=O)C1CC2CCCCCC21 Amb27175956 [0,0,0,2,0,0|1,0,0]=3 3865 B13R2.13972 CC(=O)[C@@H]1C[C@@H]2CCCCC[C@@H]21 Amb28052539 [0,0,0,2,0,0|1,0,0]=3 3866 B13R2.13972 NC(=O)C1CC2CCCCCC21 Amb28200896 [0,0,0,2,0,0|1,0,0]=3 3867 B13R2.13972 O=C(O)C1=CC2CCCCCC12 Amb33744089 [0,0,0,2,0,0|0,0,2]=4 3868 B13R2.13972 O=C(O)[C@@H]1C[C@@H]2CCCCC[C@@H]21 Amb33804300 [0,0,0,2,0,0|0,0,0]=2 3869 B13R2.355 CN1CC2NCCC2C1C(=O)O Amb18825636 [0,0,0,2,0,0|2,0,0]=4 3870 B13R2.355 CN1C[C@H]2CCC[C@H]2[C@H]1C(=O)O Amb28291532 [0,0,0,2,0,0|1,0,0]=3 3871 B13R2.5513 CC(=O)C12CCCCCCC1C2 Amb28321909 [0,0,0,2,0,0|1,0,0]=3 3872 B13R2.5558 CC(=O)C1CCC2CCCC1C2 Amb27802568 [0,0,0,2,0,0|1,0,0]=3 3873 B13R2.5558 CC(=O)C1CCN2CCCC1C2 Amb27670014 [0,0,0,2,0,0|2,0,0]=4 3874 B13R2.5558 O=C(O)C1=CCC2CCCC1C2 Amb27392342 [0,0,0,2,0,0|0,0,2]=4 3875 B13R2.5558 O=C(O)C1CCC2CCCC1C2 Amb28365636 [0,0,0,2,0,0|0,0,0]=2 3876 B13R2.5567 O=C(O)[C@H]1C[C@@H]2CCCC[C@H]1N2 Amb27965053 [0,0,0,2,0,0|1,0,0]=3 3877 B13R2.10832 CC(=O)C12CCCCC1CC2C Amb27802806 [0,0,0,2,0,0|1,0,0]=3 3878 B13R2.13710 CC(=O)C1CCC[C@@H]2CC[C@H]1N2 Amb27631454 [0,0,0,2,0,0|2,0,0]=4 3879 B13R2.13710 CC(=O)[C@@H]1CCC[C@H]2CC[C@@H]1N2 Amb26974390 [0,0,0,2,0,0|2,0,0]=4 3880 B13R2.13710 CC(=O)[C@H]1CCC[C@H]2CC[C@@H]1N2 Amb27638718 [0,0,0,2,0,0|2,0,0]=4 3881 B13R2.3219 OC12CCCCCCC1CCC2 Amb28366382 [0,0,0,2,0,0|1,0,1]=4 3882 B13R2.5252 O=C1C=CCCC2CCCCC12 Amb28253747 [0,0,0,2,0,0|1,0,1]=4 3883 B13R2.5252 O=C1CCCC[C@H]2CCCC[C@@H]12 Amb28202238 [0,0,0,2,0,0|1,0,0]=3 3884 B13R2.5252 O=C1NCCCC2CCCCC12 Amb27413893 [0,0,0,2,0,0|1,0,0]=3 3885 B13R2.408 CC1CCC12CNCC2C(N)=O Amb27417116 [0,0,0,2,0,0|2,0,0]=4 3886 B13R2.5548 CC(=O)CCN1CC2CCC2C1 Amb35626497 [0,0,0,2,0,0|2,0,0]=4 3887 B13R2.5548 NC(=O)CCN1CC2CCC2C1 Amb29872144 [0,0,0,2,0,0|2,0,0]=4 3888 B13R2.5548 O=C(O)CCN1CC2CCC2C1 Amb35613847 [0,0,0,2,0,0|1,0,0]=3 3889 B13R2.423 CC(=O)C1CC1C2CCCCO2 Amb35621227 [0,0,0,2,0,0|2,0,0]=4 3890 B13R2.423 CC(=O)C1CC1C2CCOCC2 Amb18799106 [0,0,0,2,0,0|2,0,0]=4 3891 B13R2.423 CC(=O)C1OC1C2CCCCC2 Amb26344549 [0,0,0,2,0,0|2,0,0]=4 3892 B13R2.423 NC(=O)C1CC1C2CCNCC2 Amb31199775 [0,0,0,2,0,0|2,0,0]=4 3893 B13R2.423 NC(=O)[C@@H]1C[C@H]1C2CCNCC2 Amb27945003 [0,0,0,2,0,0|2,0,0]=4 3894 B13R2.423 O=C(Cl)C1CC1C2CCCCC2 Amb25045510 [0,0,0,2,0,0|1,0,0]=3 3895 B13R2.423 O=C(O)C1CC1C2CC=CCC2 Amb33314951 [0,0,0,2,0,0|0,0,2]=4 3896 B13R2.423 O=C(O)C1CC1C2CCCCC2 Amb18960083 [0,0,0,2,0,0|0,0,0]=2 3897 B13R2.423 O=C(O)C1CC1C2CCCCO2 Amb33223755 [0,0,0,2,0,0|1,0,0]=3 3898 B13R2.423 O=C(O)C1CC1C2CCCNC2 Amb33804738 [0,0,0,2,0,0|1,0,0]=3 3899 B13R2.423 O=C(O)C1CC1C2CCCOC2 Amb27389134 [0,0,0,2,0,0|1,0,0]=3 3900 B13R2.423 O=C(O)C1CC1C2CCCSC2 Amb32726309 [0,0,0,2,0,0|1,0,0]=3 3901 B13R2.423 O=C(O)C1CC1C2CCOCC2 Amb17605505 [0,0,0,2,0,0|1,0,0]=3 3902 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2CC=CCC2 Amb33314936 [0,0,0,2,0,0|0,0,2]=4 3903 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2CCCCC2 Amb33098458 [0,0,0,2,0,0|0,0,0]=2 3904 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2CCCCO2 Amb33223754 [0,0,0,2,0,0|1,0,0]=3 3905 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2CCCOC2 Amb33322543 [0,0,0,2,0,0|1,0,0]=3 3906 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2CCCSC2 Amb32726295 [0,0,0,2,0,0|1,0,0]=3 3907 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2CCNCC2 Amb33741877 [0,0,0,2,0,0|1,0,0]=3 3908 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2CCOCC2 Amb32659591 [0,0,0,2,0,0|1,0,0]=3 3909 B13R2.423 O=C(O)[C@H]1O[C@@H]1C2CCOCC2 Amb27777181 [0,0,0,2,0,0|2,0,0]=4 3910 B13R2.423 OB(O)C1CC1C2CCCCC2 Amb27658855 [0,0,0,2,0,0|1,0,1]=4 3911 B13R2.423 OB(O)[C@H]1C[C@@H]1C2CCCCC2 Amb27778119 [0,0,0,2,0,0|1,0,1]=4 3912 B13R2.437 CC(=O)C1CCC12CCCCC2 Amb29874095 [0,0,0,2,0,0|1,0,0]=3 3913 B13R2.437 CC(=O)N1CCC12CCCCC2 Amb28319865 [0,0,0,2,0,0|2,0,0]=4 3914 B13R2.437 CC(O)C1CCC12CCCCC2 Amb35619208 [0,0,0,2,0,0|1,0,1]=4 3915 B13R2.437 NC(=O)N1CCC12CCCCC2 Amb27829225 [0,0,0,2,0,0|2,0,0]=4 3916 B13R2.437 O=C(O)C1CCC12CCCCC2 Amb27983816 [0,0,0,2,0,0|0,0,0]=2 3917 B13R2.437 O=C(O)C1CCC12CCOCC2 Amb32667467 [0,0,0,2,0,0|1,0,0]=3 3918 B13R2.437 O=C(O)C1NCC12CCOCC2 Amb32667356 [0,0,0,2,0,0|2,0,0]=4 3919 B13R2.437 O=C(O)C1NCC12CCOCC2 Amb32667357 [0,0,0,2,0,0|2,0,0]=4 3920 B13R2.442 CC(=O)CC1CC12CCNCC2 Amb28132928 [0,0,0,2,0,0|2,0,0]=4 3921 B13R2.442 O=C(Cl)NC1CC12CCCCC2 Amb35633477 [0,0,0,2,0,0|2,0,0]=4 3922 B13R2.442 O=C(O)CC1CC12CCCNC2 Amb27623387 [0,0,0,2,0,0|1,0,0]=3 3923 B13R2.5849 O=C(O)CCC1C2CCCCC21 Amb25339591 [0,0,0,2,0,0|0,0,0]=2 3924 B13R2.5849 O=C(O)CCC1C2CCOCC21 Amb27211161 [0,0,0,2,0,0|1,0,0]=3 3925 B13R2.5849 O=C(O)CCC1[C@H]2CCCC[C@@H]12 Amb27958973 [0,0,0,2,0,0|0,0,0]=2 3926 B13R2.5849 O=C(O)CNC1C2CCCCC21 Amb28062089 [0,0,0,2,0,0|1,0,0]=3 3927 B13R2.5849 O=C(O)\C=C\C1C2CCCCC12 Amb33470070 [0,0,0,2,0,0|0,0,2]=4 3928 B13R2.35 NC(=O)C1CCCC12CCNC2 Amb27843742 [0,0,0,2,0,0|2,0,0]=4 3929 B13R2.35 NC(=O)C1NCCC12CCCC2 Amb27186160 [0,0,0,2,0,0|2,0,0]=4 3930 B13R2.35 NC(=O)N1CCCC12CCCC2 Amb27632233 [0,0,0,2,0,0|2,0,0]=4 3931 B13R2.35 O=C(O)C1CCCC12CCCC2 Amb27606964 [0,0,0,2,0,0|0,0,0]=2 3932 B13R2.35 O=C(O)C1CCCC12OCCO2 Amb28291631 [0,0,0,2,0,0|2,0,0]=4 3933 B13R2.35 O=C(O)C1CCOC12CCCC2 Amb32990693 [0,0,0,2,0,0|1,0,0]=3 3934 B13R2.35 O=C(O)C1CCOC12CCCO2 Amb27425341 [0,0,0,2,0,0|2,0,0]=4 3935 B13R2.35 O=C(O)C1CCOC12CCOC2 Amb32990721 [0,0,0,2,0,0|2,0,0]=4 3936 B13R2.35 O=C(O)C1CCOC12CCSC2 Amb32990698 [0,0,0,2,0,0|2,0,0]=4 3937 B13R2.35 O=C(O)C1CNCC12CCCC2 Amb23597878 [0,0,0,2,0,0|1,0,0]=3 3938 B13R2.35 O=C(O)C1CNCC12CCCC2 Amb33620565 [0,0,0,2,0,0|1,0,0]=3 3939 B13R2.35 O=C(O)C1CNCC12CCOC2 Amb25353876 [0,0,0,2,0,0|2,0,0]=4 3940 B13R2.35 O=C(O)C1CNCC12CCOC2 Amb28555749 [0,0,0,2,0,0|2,0,0]=4 3941 B13R2.35 O=C(O)C1CNCC12CCSC2 Amb33468764 [0,0,0,2,0,0|2,0,0]=4 3942 B13R2.424 O=C(O)C1CC1CC2CCCC2 Amb26530691 [0,0,0,2,0,0|0,0,0]=2 3943 B13R2.424 O=C(O)C1CC1CN2CCCC2 Amb33231174 [0,0,0,2,0,0|1,0,0]=3 3944 B13R2.424 O=C(O)[C@@H]1C[C@H]1CC2CCCC2 Amb33378876 [0,0,0,2,0,0|0,0,0]=2 3945 B13R2.426 O=C(Cl)NC1CCC12CCCC2 Amb35619469 [0,0,0,2,0,0|2,0,0]=4 3946 B13R2.426 O=C(O)CC1CCC12CCCC2 Amb35619425 [0,0,0,2,0,0|0,0,0]=2 3947 B13R2.426 O=C(O)\C=C1\CCC12CCCC2 Amb30025861 [0,0,0,2,0,0|0,0,2]=4 3948 B13R2.427 CC(=O)CCC1CC12CCNC2 Amb27967415 [0,0,0,2,0,0|2,0,0]=4 3949 B13R2.432 O=C(O)C1CCC1C2CCSC2 Amb35704943 [0,0,0,2,0,0|1,0,0]=3 3950 B13R2.432 O=C(O)C1CCN1C2CCCC2 Amb10071666 [0,0,0,2,0,0|1,0,0]=3 3951 B13R2.5569 NC(=O)N1CCCC2CCCC21 Amb28429141 [0,0,0,2,0,0|2,0,0]=4 3952 B13R2.5569 O=C(Cl)N1CCCC2CCCC21 Amb26938177 [0,0,0,2,0,0|2,0,0]=4 3953 B13R2.5569 O=C(O)C1CCC=C2CCCC21 Amb18646588 [0,0,0,2,0,0|0,0,2]=4 3954 B13R2.5569 O=C(O)C1CCCC2CCCC21 Amb27444701 [0,0,0,2,0,0|0,0,0]=2 3955 B13R2.5569 O=C(O)C1CCCC2CCCN21 Amb25232742 [0,0,0,2,0,0|1,0,0]=3 3956 B13R2.5569 O=C(O)C1CCCC2CCCN21 Amb28594200 [0,0,0,2,0,0|1,0,0]=3 3957 B13R2.5569 O=C(O)C1CCCC2CNCC21 Amb19374763 [0,0,0,2,0,0|1,0,0]=3 3958 B13R2.5569 O=C(O)C1CCCC2NCCC21 Amb27636488 [0,0,0,2,0,0|1,0,0]=3 3959 B13R2.5569 O=C(O)C1CCCC2OCCC21 Amb23560311 [0,0,0,2,0,0|1,0,0]=3 3960 B13R2.5569 O=C(O)C1CCCN2CCC[C@H]12 Amb18826019 [0,0,0,2,0,0|1,0,0]=3 3961 B13R2.5569 O=C(O)C1CCNC2CCCC21 Amb23590775 [0,0,0,2,0,0|1,0,0]=3 3962 B13R2.5569 O=C(O)C1CCNC2COCC21 Amb23590777 [0,0,0,2,0,0|2,0,0]=4 3963 B13R2.5569 O=C(O)C1CCNC2CSCC21 Amb27808780 [0,0,0,2,0,0|2,0,0]=4 3964 B13R2.5569 O=C(O)C1NCCN2CCCC12 Amb25212241 [0,0,0,2,0,0|2,0,0]=4 3965 B13R2.5569 O=C(O)C1NCCN2CCCC12 Amb32652859 [0,0,0,2,0,0|2,0,0]=4 3966 B13R2.5569 O=C(O)[C@@H]1CC=C[C@H]2CCC[C@H]21 Amb28193730 [0,0,0,2,0,0|0,0,2]=4 3967 B13R2.5569 O=C(O)[C@H]1CCC[C@@H]2CCC[C@@H]21 Amb28247986 [0,0,0,2,0,0|0,0,0]=2 3968 B13R2.5569 O=C(O)[C@H]1NCCN2CCC[C@@H]12 Amb26549781 [0,0,0,2,0,0|2,0,0]=4 3969 B13R2.11149 O=C1CCCCC2(CCCC2)N1 Amb24625849 [0,0,0,2,0,0|1,0,0]=3 3970 B13R2.11149 O=C1CCOCC2(CCCC2)N1 Amb35749427 [0,0,0,2,0,0|2,0,0]=4 3971 B13R2.1300 NC(=O)CN1CCCC12CCC2 Amb28244075 [0,0,0,2,0,0|2,0,0]=4 3972 B13R2.1300 O=C(O)CC1CCCC12CCC2 Amb27799971 [0,0,0,2,0,0|0,0,0]=2 3973 B13R2.1300 O=C(O)CC1CCCC12CNC2 Amb33494111 [0,0,0,2,0,0|1,0,0]=3 3974 B13R2.1300 O=C(O)CC1COCC12CCC2 Amb27194966 [0,0,0,2,0,0|1,0,0]=3 3975 B13R2.1300 O=C(O)\C=C1\CCCC12CCC2 Amb27423304 [0,0,0,2,0,0|0,0,2]=4 3976 B13R2.3212 CC1(O)CCCCC1C2CCC2 Amb32950200 [0,0,0,2,0,0|1,0,1]=4 3977 B13R2.3212 C[C@@]1(O)CCCC[C@H]1C2CCC2 Amb33213559 [0,0,0,2,0,0|1,0,1]=4 3978 B13R2.5584 O=C(O)C1CCCCC12CCC2 Amb26557269 [0,0,0,2,0,0|0,0,0]=2 3979 B13R2.5584 O=C(O)C1CNCCC12CCC2 Amb32904162 [0,0,0,2,0,0|1,0,0]=3 3980 B13R2.5584 O=C(O)C1CNCCC12CCC2 Amb33440222 [0,0,0,2,0,0|1,0,0]=3 3981 B13R2.5584 O=C(O)C1COCCC12CNC2 Amb25894833 [0,0,0,2,0,0|2,0,0]=4 3982 B13R2.5602 CC(=O)N1CCCC1C2CCC2 Amb27749020 [0,0,0,2,0,0|2,0,0]=4 3983 B13R2.5602 NC(=O)C1CCCN1C2CCC2 Amb28369640 [0,0,0,2,0,0|2,0,0]=4 3984 B13R2.5602 NC(=O)C1CNCC1C2CCC2 Amb27811617 [0,0,0,2,0,0|2,0,0]=4 3985 B13R2.5602 O=C(O)C1CCCC1N2CCC2 Amb28044431 [0,0,0,2,0,0|1,0,0]=3 3986 B13R2.5602 O=C(O)C1CCCN1C2COC2 Amb35686340 [0,0,0,2,0,0|2,0,0]=4 3987 B13R2.5602 O=C(O)C1NCCC1C2CCC2 Amb27624357 [0,0,0,2,0,0|1,0,0]=3 3988 B13R2.5602 O=C(O)[C@@H]1CCCN1C2CCC2 Amb27756437 [0,0,0,2,0,0|1,0,0]=3 3989 B13R2.11169 O=C1C=C(C2CCC2)CCCC1 Amb27587503 [0,0,0,2,0,0|1,0,1]=4 3990 B13R2.11169 O=C1CCCCC(C2CCC2)C1 Amb27416489 [0,0,0,2,0,0|1,0,0]=3 3991 B13R2.11169 OC1CCCCC(C2CCC2)C1 Amb27855757 [0,0,0,2,0,0|1,0,1]=4 3992 B13R2.13743 O=C(O)C1CCN1CC2CSC2 Amb35638851 [0,0,0,2,0,0|2,0,0]=4 3993 B13R2.2931 NCC1OC(=O)[C@@H]2CCCC[C@H]12 Amb27204879 [0,0,0,2,0,0|1,0,0]=3 3994 B13R2.5509 O=C(O)C1CN2CCCN1CC2 Amb28428351 [0,0,0,2,0,0|2,0,0]=4 3995 B13R2.5509 O=C(O)C1CN2CCCN1CC2 Amb28750837 [0,0,0,2,0,0|2,0,0]=4 3996 B13R2.5509 O=C(O)[C@@H]1C[C@@H]2C=C[C@@H]1CCC2 Amb27845420 [0,0,0,2,0,0|0,0,2]=4 3997 B13R2.5514 O=C(O)C1=C(C2CC2)CCCC1 Amb27803143 [0,0,0,2,0,0|0,0,2]=4 3998 B13R2.5514 O=C(O)C1CCCCC1C2CC2 Amb26878459 [0,0,0,2,0,0|0,0,0]=2 3999 B13R2.5514 O=C(O)C1CCCCN1C2CC2 Amb28205366 [0,0,0,2,0,0|1,0,0]=3 4000 B13R2.5514 O=C(O)C1CNCCC1C2CC2 Amb28289614 [0,0,0,2,0,0|1,0,0]=3 4001 B13R2.5514 O=C(O)C1CNCCN1C2CC2 Amb27494397 [0,0,0,2,0,0|2,0,0]=4 4002 B13R2.5514 O=C(O)[C@@H]1CCCN[C@H]1C2CC2 Amb18826010 [0,0,0,2,0,0|1,0,0]=3 4003 B13R2.5514 O=C(O)[C@H]1CCCN[C@@H]1C2CC2 Amb28133995 [0,0,0,2,0,0|1,0,0]=3 4004 B13R2.5514 O=C(O)[C@H]1NCCC[C@@H]1C2CC2 Amb27427806 [0,0,0,2,0,0|1,0,0]=3 4005 B13R2.13663 CC(=O)C12CCCCC1CCC2 Amb28194601 [0,0,0,2,0,0|1,0,0]=3 4006 B13R2.13663 CC(=O)C12CCCCN1CCC2 Amb26872133 [0,0,0,2,0,0|2,0,0]=4 4007 B13R2.13663 CC(=O)[C@]12CCCC[C@@H]1CCO2 Amb27785508 [0,0,0,2,0,0|2,0,0]=4 4008 B13R2.13663 CC(=O)[C@]12CCCC[C@H]1CCC2 Amb28246530 [0,0,0,2,0,0|1,0,0]=3 4009 B13R2.13663 NC(=O)[C@]12CCCC[C@@H]1CCC2 Amb27202529 [0,0,0,2,0,0|1,0,0]=3 4010 B13R2.13663 NC(=O)[C@]12CCCC[C@H]1CCC2 Amb28076692 [0,0,0,2,0,0|1,0,0]=3 4011 B13R2.13663 O=C(O)C12CCCCC1CCC2 Amb18646993 [0,0,0,2,0,0|0,0,0]=2 4012 B13R2.13663 O=C(O)C12CCCCC1CNC2 Amb2696345 [0,0,0,2,0,0|1,0,0]=3 4013 B13R2.13663 O=C(O)C12CCCCC1NCC2 Amb24519037 [0,0,0,2,0,0|1,0,0]=3 4014 B13R2.13663 O=C(O)C12CCCCC1NCC2 Amb33733644 [0,0,0,2,0,0|1,0,0]=3 4015 B13R2.13663 O=C(O)C12CCCCC1OCC2 Amb32660065 [0,0,0,2,0,0|1,0,0]=3 4016 B13R2.13663 O=C(O)C12CCCCN1CCC2 Amb33482560 [0,0,0,2,0,0|1,0,0]=3 4017 B13R2.13663 O=C(O)C12CCOC1CCOC2 Amb32660064 [0,0,0,2,0,0|2,0,0]=4 4018 B13R2.13663 O=C(O)C12CCOCC1CNC2 Amb27776119 [0,0,0,2,0,0|2,0,0]=4 4019 B13R2.13663 O=C(O)[C@@]12CCCC[C@@H]1CNC2 Amb25991331 [0,0,0,2,0,0|1,0,0]=3 4020 B13R2.13663 O=C(O)[C@@]12CCCC[C@@H]1NCC2 Amb33741519 [0,0,0,2,0,0|1,0,0]=3 4021 B13R2.13663 O=C(O)[C@@]12CCC[C@H]1CCCN2 Amb27477716 [0,0,0,2,0,0|1,0,0]=3 4022 B13R2.13663 O=C(O)[C@@]12CNC[C@@H]1CCOC2 Amb33299314 [0,0,0,2,0,0|2,0,0]=4 4023 B13R2.13663 O=C(O)[C@]12CC=CC[C@H]1CCC2 Amb27419932 [0,0,0,2,0,0|0,0,2]=4 4024 B13R2.13663 O=C(O)[C@]12CCCC[C@@H]1CCC2 Amb27436178 [0,0,0,2,0,0|0,0,0]=2 4025 B13R2.13663 O=C(O)[C@]12CCCC[C@H]1CNC2 Amb32679338 [0,0,0,2,0,0|1,0,0]=3 4026 B13R2.13663 O=C(O)[C@]12CCCC[C@H]1NCC2 Amb33039562 [0,0,0,2,0,0|1,0,0]=3 4027 B13R2.13663 O=C(O)[C@]12CNC[C@H]1CCOC2 Amb35746982 [0,0,0,2,0,0|2,0,0]=4 4028 B13R2.13779 O=C(Cl)C1C2CCCC1CCC2 Amb25342732 [0,0,0,2,0,0|1,0,0]=3 4029 B13R2.13779 O=C(O)C1C2CCCC1CCC2 Amb28140078 [0,0,0,2,0,0|0,0,0]=2 4030 B13R2.13779 O=C(O)C1C2CCCC1CNC2 Amb13953128 [0,0,0,2,0,0|1,0,0]=3 4031 B13R2.13779 O=C(O)C1C2CCCC1CNC2 Amb25114066 [0,0,0,2,0,0|1,0,0]=3 4032 B13R2.13779 O=C(O)C1C2CNCC1COC2 Amb20623290 [0,0,0,2,0,0|2,0,0]=4 4033 B13R2.13779 O=C(O)C1C2CNCC1COC2 Amb32708511 [0,0,0,2,0,0|2,0,0]=4 4034 B13R2.13779 O=C(O)[C@@H]1[C@@H]2CCC[C@H]1CNC2 Amb19374736 [0,0,0,2,0,0|1,0,0]=3 4035 B13R2.13779 O=C(O)[C@H]1[C@@H]2CCC[C@H]1CNC2 Amb19374738 [0,0,0,2,0,0|1,0,0]=3 4036 B13R2.18205 N#CC1C2CCCCC12C(=O)O Amb27865683 [0,0,0,2,0,0|1,0,1]=4 4037 B13R2.249 CCCN1C2CCC1CC(=O)C2 Amb10610694 [0,0,0,2,0,0|2,0,0]=4 4038 B13R2.623 CC[C@@H]1NC(=O)O[C@H]2CCCC12 Amb28367705 [0,0,0,2,0,0|2,0,0]=4 4039 B13R2.623 CC[C@H]1NC(=O)O[C@H]2CCCC21 Amb27236909 [0,0,0,2,0,0|2,0,0]=4 4040 B13R2.4501 O=C(O)C1C2CC1N(CCF)C2 Amb28197367 [0,0,0,2,0,0|2,0,0]=4 4041 B13R2.4501 O=C(O)C1C2CC1N(CCO)C2 Amb28142533 [0,0,0,2,0,0|2,0,0]=4 4042 B13R2.5604 NC(=O)CC1CCNC1C2CC2 Amb28436464 [0,0,0,2,0,0|2,0,0]=4 4043 B13R2.5604 O=C(O)CC1CCCN1C2CC2 Amb18826032 [0,0,0,2,0,0|1,0,0]=3 4044 B13R2.5604 O=C(O)CC1CCNC1C2CC2 Amb27971172 [0,0,0,2,0,0|1,0,0]=3 4045 B13R2.5604 O=C(O)CN1CCCC1C2CC2 Amb28280716 [0,0,0,2,0,0|1,0,0]=3 4046 B13R2.14125 CC(=O)CC12CCC[C@H]1OCC2 Amb33446221 [0,0,0,2,0,0|2,0,0]=4 4047 B13R2.14125 CC(=O)NC12CCCC1CCC2 Amb28365022 [0,0,0,2,0,0|2,0,0]=4 4048 B13R2.14125 O=C(Cl)CC12CCCN1CCC2 Amb28292489 [0,0,0,2,0,0|2,0,0]=4 4049 B13R2.14125 O=C(O)CC12CCCN1CCC2 Amb18647190 [0,0,0,2,0,0|1,0,0]=3 4050 B13R2.14125 O=C(O)CC12CCCN1CCC2 Amb8393282 [0,0,0,2,0,0|1,0,0]=3 4051 B13R2.14125 O=C(O)CC12CCC[C@H]1OCC2 Amb33446241 [0,0,0,2,0,0|1,0,0]=3 4052 B13R2.10288 O=C1CCNCC(CC2CC2)N1 Amb27224961 [0,0,0,2,0,0|2,0,0]=4 4053 B13R2.1696 NCC1CC2CC2CC1C(=O)O Amb33230272 [0,0,0,2,0,0|1,0,0]=3 4054 B13R2.3632 CC1(O)CCCCC1CC2CC2 Amb32950656 [0,0,0,2,0,0|1,0,1]=4 4055 B13R2.3632 C[C@@]1(O)CCCC[C@H]1CC2CC2 Amb33213153 [0,0,0,2,0,0|1,0,1]=4 4056 B13R2.654 CCC1CN2CCCC2C(=O)N1 Amb27608250 [0,0,0,2,0,0|2,0,0]=4 4057 B13R2.5574 NC(=O)C1CCCN1CC2CC2 Amb25258908 [0,0,0,2,0,0|2,0,0]=4 4058 B13R2.5574 NC(=O)[C@@H]1CCCN1CC2CC2 Amb26866257 [0,0,0,2,0,0|2,0,0]=4 4059 B13R2.5574 O=C(O)C1CCCN1CC2CC2 Amb2382745 [0,0,0,2,0,0|1,0,0]=3 4060 B13R2.5574 O=C(O)[C@@H]1CCCN1CC2CC2 Amb25871185 [0,0,0,2,0,0|1,0,0]=3 4061 B13R2.6374 CCC1CC2CCCC12C(C)=O Amb27614656 [0,0,0,2,0,0|1,0,0]=3 4062 B13R2.13708 N=C(N)C1CCCCCC12CC2 Amb32658630 [0,0,0,2,0,0|2,0,0]=4 4063 B13R2.13708 NC(=O)C1CCCCCC12CC2 Amb32658627 [0,0,0,2,0,0|1,0,0]=3 4064 B13R2.13708 NC(=S)C1CCCCCC12CC2 Amb32658628 [0,0,0,2,0,0|1,1,0]=4 4065 B13R2.13708 O=C(O)C1CCCCCC12CC2 Amb18826495 [0,0,0,2,0,0|0,0,0]=2 4066 B13R2.1280 O=C(O)CC1CCC2CC2CC1 Amb33068666 [0,0,0,2,0,0|0,0,0]=2 4067 B13R2.13776 CC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 Amb27954188 [0,0,0,2,0,0|1,0,0]=3 4068 B13R2.13776 CC(=O)[C@H]1[C@H]2CCCCCC[C@H]21 Amb27178029 [0,0,0,2,0,0|1,0,0]=3 4069 B13R2.13776 O=C(O)C1C2C=CCCCCC21 Amb6359548 [0,0,0,2,0,0|0,0,2]=4 4070 B13R2.13776 O=C(O)C1C2CCCCCCC21 Amb10071664 [0,0,0,2,0,0|0,0,0]=2 4071 B13R2.13776 O=C(O)C1C2CCCCNCC21 Amb33192639 [0,0,0,2,0,0|1,0,0]=3 4072 B13R2.13776 O=C(O)C1[C@H]2CCCCCC[C@H]12 Amb27657631 [0,0,0,2,0,0|0,0,0]=2 4073 B13R2.13687 NC(=O)C1CC12CCCCCC2 Amb27645198 [0,0,0,2,0,0|1,0,0]=3 4074 B13R2.13687 O=C(O)C1CC12CCCOCC2 Amb27661221 [0,0,0,2,0,0|1,0,0]=3 4075 B13R2.13687 O=C(O)C1CC12CCCSCC2 Amb35691464 [0,0,0,2,0,0|1,0,0]=3 4076 B13R2.13687 O=C(O)C1CC12COCCOC2 Amb27206424 [0,0,0,2,0,0|2,0,0]=4 4077 B13R2.13815 NC(=O)N[C@H]1[C@H]2CCCCC[C@H]21 Amb27803763 [0,0,0,2,0,0|2,0,0]=4 4078 B13R2.13815 O=C(O)CC1C2CCCCCC21 Amb28132343 [0,0,0,2,0,0|0,0,0]=2