0 B11R0.148 C#CCCCCCCCC(O)=O Amb22388895 [0,0,0,0,0,0|0,0,4]=4 1 B11R0.148 CCCC=CCCCCC(O)=O Amb24063196 [0,0,0,0,0,0|0,0,4]=4 2 B11R0.148 CCCCC=CCCCC(O)=O Amb24062906 [0,0,0,0,0,0|0,0,4]=4 3 B11R0.148 CCCCCC=CCCC(O)=O Amb24079160 [0,0,0,0,0,0|0,0,4]=4 4 B11R0.148 CCCCCCCCC=C(C)C Amb22899462 [0,0,0,0,0,0|2,0,1]=3 5 B11R0.148 CCCCCCCCCC([O-])=O Amb22733551 [0,0,0,0,0,0|0,0,3]=3 6 B11R0.148 CCCCCCCCC[13C](O)=O Amb22353426 [0,0,0,0,0,0|0,0,2]=2 7 B11R0.148 CCCCCCCCC[C@H](C)O Amb20240616 [0,0,0,0,0,0|1,0,3]=4 8 B11R0.148 CCCCCCCCNC(=O)C Amb10562300 [0,0,0,0,0,0|2,0,1]=3 9 B11R0.148 CCCCCCCCNC(=S)N Amb1152183 [0,0,0,0,0,0|2,1,1]=4 10 B11R0.148 CCCCCCCCNC(N)=N Amb22338463 [0,0,0,0,0,0|3,0,1]=4 11 B11R0.148 CCCCCCCCOC([S-])=S Amb22334140 [0,0,0,0,0,0|1,2,1]=4 12 B11R0.148 CCCCCCCC[13CH2][13C](O)=O Amb22054843 [0,0,0,0,0,0|0,0,2]=2 13 B11R0.148 CCCCCCCNCC(O)=O Amb19373457 [0,0,0,0,0,0|1,0,1]=2 14 B11R0.148 CCCCCCC\C=C\B(O)O Amb2456042 [0,0,0,0,0,0|1,0,1]=2 15 B11R0.148 CCCCCC\C=C/C=C(C)C Amb22546455 [0,0,0,0,0,0|2,0,1]=3 16 B11R0.148 CCCCCC\C=C\CC(=O)O Amb10807476 [0,0,0,0,0,0|0,0,2]=2 17 B11R0.148 CCCCC\C=C\CCC(=O)O Amb17594266 [0,0,0,0,0,0|0,0,4]=4 18 B11R0.148 CCCCSCCCCC(=O)O Amb1032990 [0,0,0,0,0,0|1,0,2]=3 19 B11R0.148 CCC\C=C\CCCCC(O)=O Amb22411539 [0,0,0,0,0,0|0,0,4]=4 20 B11R0.148 CCNCCOCCCC(O)=O Amb18110845 [0,0,0,0,0,0|2,0,2]=4 21 B11R0.148 NCCCCSCCCC(=O)O Amb17500972 [0,0,0,0,0,0|2,0,2]=4 22 B11R0.148 OC(=O)CCCCCCCC=O Amb17939414 [0,0,0,0,0,0|1,0,3]=4 23 B11R0.148 [13CH3]CCCCCCCCC(O)=O Amb22367552 [0,0,0,0,0,0|0,0,2]=2 24 B10R0.4 CC#CCNC\C=C\C(O)=O Amb25381520 [1,0,0,0,0,0|1,0,2]=4 25 B10R0.4 CC(=O)NCCCCCCO Amb24113372 [1,0,0,0,0,0|3,0,0]=4 26 B10R0.4 CC(=O)OCCCCCCBr Amb24063174 [1,0,0,0,0,0|3,0,0]=4 27 B10R0.4 CCCCC#C\C=C/C(N)=O Amb24726172 [1,0,0,0,0,0|1,0,2]=4 28 B10R0.4 CCCCC#C\C=C\C(C)=O Amb25712227 [1,0,0,0,0,0|1,0,2]=4 29 B10R0.4 CCCCCC#CCC(O)=O Amb25384153 [1,0,0,0,0,0|0,0,3]=4 30 B10R0.4 CCCCCCCCB(O)O Amb2456044 [1,0,0,0,0,0|1,0,2]=4 31 B10R0.4 CCCCCCCCC([O-])=O Amb22729912 [1,0,0,0,0,0|0,0,2]=3 32 B10R0.4 CCCCCCCCS(=O)C Amb10553782 [1,0,0,0,0,0|2,0,1]=4 33 B10R0.4 CCCCCCCC[C@@H](C)O Amb19929333 [1,0,0,0,0,0|1,0,2]=4 34 B10R0.4 CCCCCCCC[C@@H](O)C Amb10068518 [1,0,0,0,0,0|1,0,2]=4 35 B10R0.4 CCCCCCCC[N+]([O-])=O Amb17672610 [1,0,0,0,0,0|1,0,2]=4 36 B10R0.4 CCCCCCCC[Sn](O)=O Amb22729697 [1,0,0,0,0,0|1,0,1]=3 37 B10R0.4 CCCCCCCNC(N)=O Amb17939018 [1,0,0,0,0,0|2,0,0]=3 38 B10R0.4 CCCCCCCOC(=O)Cl Amb19886548 [1,0,0,0,0,0|2,0,0]=3 39 B10R0.4 CCCCCCCOC([S-])=S Amb22334105 [1,0,0,0,0,0|1,2,0]=4 40 B10R0.4 CCCCCCCSC(N)=N Amb22487432 [1,0,0,0,0,0|3,0,0]=4 41 B10R0.4 CCCCCC\C=C\B(O)O Amb2456043 [1,0,0,0,0,0|1,0,1]=3 42 B10R0.4 CCCCCC\C=C\C(C)=C Amb22546604 [1,0,0,0,0,0|2,0,0]=3 43 B10R0.4 CCCCCC\C=C\C(C)=O Amb22052629 [1,0,0,0,0,0|1,0,0]=2 44 B10R0.4 CCCCCC\C=C\C(C)O Amb22641689 [1,0,0,0,0,0|1,0,1]=3 45 B10R0.4 CCCCC\C=C/NC(C)=O Amb24766540 [1,0,0,0,0,0|2,0,1]=4 46 B10R0.4 CCCCC\C=C\C=C(C)C Amb22546758 [1,0,0,0,0,0|2,0,1]=4 47 B10R0.4 CCCCC\C=C\CC(=O)O Amb17593915 [1,0,0,0,0,0|0,0,2]=3 48 B10R0.4 CCCNCCCOC(C)=O Amb18924647 [1,0,0,0,0,0|3,0,0]=4 49 B10R0.4 CCOCCCC#CC(O)=O Amb25384938 [1,0,0,0,0,0|1,0,2]=4 50 B10R0.4 CCOCCCCCC(O)=O Amb22234334 [1,0,0,0,0,0|1,0,1]=3 51 B10R0.4 CNCCOCCCC(O)=O Amb18106300 [1,0,0,0,0,0|2,0,1]=4 52 B10R0.4 COCCCOCCC(O)=O Amb18180046 [1,0,0,0,0,0|2,0,1]=4 53 B10R0.4 NCCCCCCCC(=O)O Amb1994908 [1,0,0,0,0,0|1,0,1]=3 54 B10R0.4 NCCCCCCCC(O)=O Amb19929586 [1,0,0,0,0,0|1,0,1]=3 55 B10R0.4 NCCCCCCNC(O)=O Amb22494605 [1,0,0,0,0,0|2,0,0]=3 56 B10R0.4 NCCCOCCCC(O)=O Amb18111568 [1,0,0,0,0,0|2,0,1]=4 57 B10R0.4 NCCCSCCCC(=O)O Amb17500719 [1,0,0,0,0,0|2,0,1]=4 58 B10R0.4 OC(=O)C#CCCCCCCl Amb25386237 [1,0,0,0,0,0|1,0,2]=4 59 B10R0.4 OC(=O)CCCCCCCS Amb22353760 [1,0,0,0,0,0|1,0,1]=3 60 B10R0.4 OCCCSCCCC(=O)O Amb17502860 [1,0,0,0,0,0|2,0,1]=4 61 B10R0.4 [O-]C(=O)CCCCCCCBr Amb22015198 [1,0,0,0,0,0|1,0,2]=4 62 B10R0.71 CCCCCC#C\C=C/CO Amb17593798 [1,0,0,0,0,0|0,0,3]=4 63 B10R0.71 CCCCCC#C\C=C\C=O Amb25383534 [1,0,0,0,0,0|0,0,2]=3 64 B10R0.71 CCCCCC#C\C=C\CO Amb25383013 [1,0,0,0,0,0|0,0,3]=4 65 B10R0.71 CCCCCC=CC=CC=O Amb24056155 [1,0,0,0,0,0|0,0,2]=3 66 B10R0.71 CCCCCCCC#CCO Amb17774678 [1,0,0,0,0,0|0,0,3]=4 67 B10R0.71 CCCCCCCCOC=O Amb22231360 [1,0,0,0,0,0|1,0,1]=3 68 B10R0.71 CCCCCCC\C=C/CO Amb10563790 [1,0,0,0,0,0|0,0,1]=2 69 B10R0.71 CCCCCC\C=C\CCO Amb22641690 [1,0,0,0,0,0|0,0,3]=4 70 B10R0.71 CCCCC\C=C/C=CC=C Amb22336558 [1,0,0,0,0,0|1,0,2]=4 71 B10R0.71 CCCCC\C=C\C=C/C=C Amb22546765 [1,0,0,0,0,0|1,0,2]=4 72 B10R0.71 CCCCC\C=C\C=C\C=C Amb22730166 [1,0,0,0,0,0|1,0,2]=4 73 B10R0.71 CCCCC\C=C\C=C\CO Amb10807430 [1,0,0,0,0,0|0,0,3]=4 74 B10R0.71 CC\C=C\CCCCCCO Amb22231682 [1,0,0,0,0,0|2,0,1]=4 75 B10R0.71 C\C=C\C=C\CCCCCC Amb22546597 [1,0,0,0,0,0|1,0,1]=3 76 B12R0.4 CC(=O)CC(=O)OCCCCCC Amb22230211 [0,1,0,0,0,0|2,0,1]=4 77 B12R0.4 CCCCCCCC(=O)CC(O)=O Amb24273367 [0,1,0,0,0,0|0,0,1]=2 78 B12R0.4 CCCCCCCC(C)OC(C)=O Amb22734609 [0,1,0,0,0,0|2,0,1]=4 79 B12R0.4 CCCCCCCC(O)CC(O)=O Amb19071697 [0,1,0,0,0,0|0,0,2]=3 80 B12R0.119 CCCCCCCCCP(O)(O)=O Amb22388781 [0,1,0,0,0,0|1,0,2]=4 81 B12R0.233 CCCCCC(C)CCCC(O)=O Amb24062978 [0,1,0,0,0,0|0,0,2]=3 82 B12R0.233 CCCCCC(O)CCCC([O-])=O Amb22352105 [0,1,0,0,0,0|0,0,3]=4 83 B12R0.233 CCCCNC(=O)N\C=C\C(O)=O Amb22960382 [0,1,0,0,0,0|2,0,1]=4 84 B12R0.234 C=CCCCCCCCCC(O)=O Amb22353389 [0,1,0,0,0,0|0,0,3]=4 85 B12R0.234 C=CCCCCCCCCC(O)=O Amb22731323 [0,1,0,0,0,0|0,0,3]=4 86 B12R0.234 CC(=O)OCCCCCCCCBr Amb24063233 [0,1,0,0,0,0|2,0,1]=4 87 B12R0.234 CCCCCCCC/C=C/C(O)=O Amb17942922 [0,1,0,0,0,0|0,0,0]=1 88 B12R0.234 CCCCCCCC=NNC(N)=S Amb24271304 [0,1,0,0,0,0|2,1,0]=4 89 B12R0.234 CCCCCCCCCOC(=O)Cl Amb22732385 [0,1,0,0,0,0|1,0,2]=4 90 B12R0.234 CCCCCCC\C=C\CC(C)=O Amb21963229 [0,1,0,0,0,0|1,0,0]=2 91 B12R0.234 CCCCCCC\C=N\NC(=S)N Amb1157564 [0,1,0,0,0,0|2,1,0]=4 92 B12R0.234 CCCCCC\C=C\COC(C)=O Amb22231667 [0,1,0,0,0,0|1,0,2]=4 93 B12R0.234 NCCCCCCCCCC(=O)O Amb2229638 [0,1,0,0,0,0|0,0,2]=3 94 B12R0.248 CCCCCCCCC[14C](=O)O[Na] Amb22352051 [0,1,0,0,0,0|0,0,2]=3 95 B12R0.248 CCCCCCCCC\C(\N)=N\O Amb19046143 [0,1,0,0,0,0|1,0,2]=4 96 B12R0.248 CCCCCCCCNC(=O)CBr Amb17329848 [0,1,0,0,0,0|2,0,1]=4 97 B12R0.248 CCCCCCCCNC(=O)CN Amb24115163 [0,1,0,0,0,0|2,0,1]=4 98 B12R0.248 CCCCCCCCOC(=O)CS Amb22735097 [0,1,0,0,0,0|1,1,1]=4 99 B12R0.248 CCCCCCCCOC(=O)C[NH3+] Amb22049491 [0,1,0,0,0,0|2,0,1]=4 100 B12R0.248 CCCCC\C=C\C=C\C(=O)OC Amb10068527 [0,1,0,0,0,0|0,0,2]=3 101 B12R0.248 CNCCCCCCCC(=O)OC Amb24331961 [0,1,0,0,0,0|1,0,2]=4 102 B12R0.248 OCCCCCCCCC(=O)OC Amb17616943 [0,1,0,0,0,0|1,0,2]=4 103 B12R0.251 CC(=C)C(=O)OCCCCCCC Amb22057372 [0,1,0,0,0,0|3,0,0]=4 104 B12R0.251 CCCCCCCCC(=C(F)F)F Amb10840896 [0,1,0,0,0,0|2,0,1]=4 105 B12R0.251 CCCCCCCCC(Br)C(O)=O Amb22347926 [0,1,0,0,0,0|0,0,2]=3 106 B12R0.251 CCCCCCCCC(C)C(O)=O Amb19058533 [0,1,0,0,0,0|0,0,2]=3 107 B12R0.251 CCCCCCCCN(C)C(C)=O Amb24096791 [0,1,0,0,0,0|2,0,1]=4 108 B12R0.251 CCCCCCCC[C@@H](N)C(O)=O Amb22745440 [0,1,0,0,0,0|0,0,2]=3 109 B12R0.251 CCCCCCCOC(=O)C(C)O Amb22358973 [0,1,0,0,0,0|2,0,1]=4 110 B12R0.251 CCCCCCCOC(C(=O)O)C Amb2445106 [0,1,0,0,0,0|1,0,1]=3 111 B12R0.251 CCCCCCSC[C@H](N)C(O)=O Amb22451174 [0,1,0,0,0,0|1,0,2]=4 112 B12R0.255 CCCCCCC(Br)CCC(N)=O Amb24065437 [0,1,0,0,0,0|1,0,2]=4 113 B12R0.255 CCCCCCC(O)CCC(O)=O Amb19071689 [0,1,0,0,0,0|0,0,2]=3 114 B12R0.255 CCCCCCC(O)CCC([O-])=O Amb19149307 [0,1,0,0,0,0|0,0,3]=4 115 B12R0.255 COCCCNC(=O)\C=C/C(=O)O Amb1235274 [0,1,0,0,0,0|2,0,1]=4 116 B12R0.268 CC(C)CCCCCCCC(O)=O Amb24117911 [0,1,0,0,0,0|0,0,2]=3 117 B12R1.7 CCCCCCC1NC(=O)CS1 Amb22442619 [0,0,0,1,0,0|2,0,1]=4 118 B12R1.7 CCCCCC[C@@H]1CCC(=O)O1 Amb18511855 [0,0,0,1,0,0|0,0,2]=3 119 B12R1.7 CCCCCC[n]1ccc(N)[n]1 Amb18792974 [0,0,0,1,0,0|3,0,0]=4 120 B12R1.7 CCCCCCc1ccc(Br)[s]1 Amb22235381 [0,0,0,1,0,0|1,1,1]=4 121 B12R1.7 Cc1ccc(CNCCCC)o1 Amb19890503 [0,0,0,1,0,0|2,0,1]=4 122 B12R1.28 CCCCCC1=CC=CC(=O)O1 Amb19668103 [0,0,0,1,0,0|0,0,2]=3 123 B12R1.75 CC(=O)C=C1CCOCC1OC Amb25335167 [0,0,0,1,0,0|3,0,0]=4 124 B12R1.75 CC(O)C=C1CCCCC1OC Amb24700686 [0,0,0,1,0,0|2,0,1]=4 125 B12R1.75 CCC1CCCCC1=CC(O)=O Amb25152411 [0,0,0,1,0,0|0,0,0]=1 126 B12R1.75 CCC1CCCCC1CC(O)=O Amb25152261 [0,0,0,1,0,0|0,0,2]=3 127 B12R1.75 CCC1CCCCC1NC(N)=O Amb18801890 [0,0,0,1,0,0|2,0,1]=4 128 B12R1.75 CCC1CCCCN1CC(=O)Cl Amb17143064 [0,0,0,1,0,0|2,0,1]=4 129 B12R1.75 CCC1CCCCN1CC(=O)N Amb17142913 [0,0,0,1,0,0|2,0,1]=4 130 B12R1.75 CCC1NCCCC1CC(O)=O Amb24753781 [0,0,0,1,0,0|1,0,2]=4 131 B12R1.75 CCN1CCCCC1CC(O)=O Amb18979527 [0,0,0,1,0,0|1,0,2]=4 132 B12R1.75 CC[C@@H]1NCCC[C@H]1CC(O)=O Amb18198537 [0,0,0,1,0,0|1,0,2]=4 133 B12R1.75 COC1CCCCC1=CC(O)=O Amb25281532 [0,0,0,1,0,0|1,0,0]=2 134 B12R1.75 COC1CCCCC1CC(O)=O Amb18647650 [0,0,0,1,0,0|1,0,2]=4 135 B12R1.75 CO[C@H]1CCCC[C@@H]1CC(O)=O Amb24710034 [0,0,0,1,0,0|1,0,2]=4 136 B12R1.75 NCC1CCCCC1CC(=O)O Amb10843836 [0,0,0,1,0,0|1,0,2]=4 137 B12R1.75 NCC1CCCCN1CC(O)=O Amb18982971 [0,0,0,1,0,0|2,0,1]=4 138 B12R1.75 OC(=O)CN1CCCCC1CBr Amb21860454 [0,0,0,1,0,0|2,0,1]=4 139 B12R1.75 OC(=O)CN1CCCCC1CCl Amb21860333 [0,0,0,1,0,0|2,0,1]=4 140 B12R1.75 OC(=O)CN1CCCCC1CI Amb21860478 [0,0,0,1,0,0|2,0,1]=4 141 B12R1.75 OCC1CCCCN1CC(O)=O Amb18294605 [0,0,0,1,0,0|2,0,1]=4 142 B12R1.75 OC[C@H]1CCCCN1CC(O)=O Amb24397069 [0,0,0,1,0,0|2,0,1]=4 143 B12R1.81 CCC1CCCC1NNC(N)=O Amb24390905 [0,0,0,1,0,0|3,0,0]=4 144 B12R1.81 CCC1CCCN1\C=C\C(O)=O Amb25828616 [0,0,0,1,0,0|1,0,0]=2 145 B12R1.81 COC1CCCC1NCC(O)=O Amb18807777 [0,0,0,1,0,0|2,0,1]=4 146 B12R1.125 CC(=C)\C=C\[C@H]1CCCC[C@H]1O Amb25236543 [0,0,0,1,0,0|3,0,0]=4 147 B12R1.125 CC(=O)C=CC1=CCCCC1C Amb24656004 [0,0,0,1,0,0|1,0,2]=4 148 B12R1.125 CC(=O)\C=C\C1=CCCCC1C Amb24416716 [0,0,0,1,0,0|1,0,2]=4 149 B12R1.125 CC(=O)\C=C\C1CCCCC1=C Amb24723910 [0,0,0,1,0,0|1,0,2]=4 150 B12R1.125 CC(=O)\C=C\C1CCCCC1O Amb25674181 [0,0,0,1,0,0|2,0,0]=3 151 B12R1.125 CC1C=CCCC1\C=C\C(C)=O Amb24388622 [0,0,0,1,0,0|1,0,2]=4 152 B12R1.125 CC1CCCCC1=NCC(O)=O Amb24580502 [0,0,0,1,0,0|1,0,2]=4 153 B12R1.125 CC1CCCCC1CCC(C)=O Amb25730309 [0,0,0,1,0,0|1,0,2]=4 154 B12R1.125 CC1CCCCC1CCC(O)=O Amb18647427 [0,0,0,1,0,0|0,0,2]=3 155 B12R1.125 CC1CCCCC1CNC(C)=O Amb25294550 [0,0,0,1,0,0|2,0,1]=4 156 B12R1.125 CC1CCCCC1CNC(N)=O Amb18793749 [0,0,0,1,0,0|2,0,1]=4 157 B12R1.125 CC1CCCCC1NNC(N)=O Amb25279559 [0,0,0,1,0,0|3,0,0]=4 158 B12R1.125 CC1CCCCC1OCC(N)=O Amb18802286 [0,0,0,1,0,0|2,0,1]=4 159 B12R1.125 CC1CCCCC1\C=C\C(C)N Amb24590006 [0,0,0,1,0,0|2,0,1]=4 160 B12R1.125 CC1CCCCC1\C=C\C(O)=O Amb24546661 [0,0,0,1,0,0|0,0,0]=1 161 B12R1.125 CC1CCCCN1CCC(O)=O Amb21953915 [0,0,0,1,0,0|1,0,2]=4 162 B12R1.125 CC1COCCC1C#CC(O)=O Amb24416197 [0,0,0,1,0,0|1,0,2]=4 163 B12R1.125 CC1COCCC1NCC(O)=O Amb25693455 [0,0,0,1,0,0|2,0,1]=4 164 B12R1.125 CC1NCCCC1NCC(O)=O Amb25302143 [0,0,0,1,0,0|2,0,1]=4 165 B12R1.125 CC1SCCCC1OCC(O)=O Amb25117392 [0,0,0,1,0,0|2,0,1]=4 166 B12R1.125 CC=1CCCCC1C=CC(O)=O Amb25210813 [0,0,0,1,0,0|0,0,2]=3 167 B12R1.125 CC=1CCCCC1\C=C\C(C)=O Amb25262267 [0,0,0,1,0,0|1,0,2]=4 168 B12R1.125 CC=1CCCCC1\C=C\C(O)=O Amb24711281 [0,0,0,1,0,0|0,0,2]=3 169 B12R1.125 C[C@H]1CCCC[C@@H]1CCC(C)=O Amb24689550 [0,0,0,1,0,0|1,0,2]=4 170 B12R1.125 NC(=O)CNC1CCCCC1C Amb1112866 [0,0,0,1,0,0|2,0,1]=4 171 B12R1.125 NC1CCCCC1NCC(O)=O Amb25714554 [0,0,0,1,0,0|2,0,1]=4 172 B12R1.125 NC1CCCCC1OCC(O)=O Amb24488516 [0,0,0,1,0,0|2,0,1]=4 173 B12R1.125 N[C@@H]1CCCC[C@H]1NCC(O)=O Amb24512945 [0,0,0,1,0,0|2,0,1]=4 174 B12R1.125 N[C@@H]1CCCC[C@H]1OCC(O)=O Amb24069129 [0,0,0,1,0,0|2,0,1]=4 175 B12R1.125 N[C@H]1CCCC[C@@H]1CCC(O)=O Amb25302248 [0,0,0,1,0,0|1,0,2]=4 176 B12R1.125 N[C@H]1CCCC[C@@H]1OCC(O)=O Amb24069130 [0,0,0,1,0,0|2,0,1]=4 177 B12R1.125 N[C@H]1CCCC[C@H]1CCC(O)=O Amb25295431 [0,0,0,1,0,0|1,0,2]=4 178 B12R1.125 OC(=O)CCC1CCCCN1C Amb10607785 [0,0,0,1,0,0|1,0,2]=4 179 B12R1.125 OC(=O)CCC1CCCCN1C Amb13949149 [0,0,0,1,0,0|1,0,2]=4 180 B12R1.125 OC(=O)COC1CCCCC1F Amb24496996 [0,0,0,1,0,0|2,0,1]=4 181 B12R1.125 OC(=O)CSC1CCCCC1C Amb17594900 [0,0,0,1,0,0|1,0,1]=3 182 B12R1.125 OC(=O)CSC1CCCCC1O Amb10808762 [0,0,0,1,0,0|2,0,1]=4 183 B12R1.125 OC(=O)\C=C\C=1CCCCC1Cl Amb25685406 [0,0,0,1,0,0|1,0,2]=4 184 B12R1.125 OC1CCCCC1NCC(O)=O Amb18990895 [0,0,0,1,0,0|2,0,1]=4 185 B12R1.125 OC1CCCCC1OCC(O)=O Amb24465502 [0,0,0,1,0,0|2,0,1]=4 186 B12R1.125 O[C@H]1CCCC[C@@H]1CCC(O)=O Amb25179269 [0,0,0,1,0,0|1,0,2]=4 187 B12R1.125 O[C@H]1CCCC[C@@H]1SCC(O)=O Amb25286930 [0,0,0,1,0,0|2,0,1]=4 188 B12R1.130 CC1CCCN1C\C=C\C(O)=O Amb18296455 [0,0,0,1,0,0|1,0,0]=2 189 B12R1.130 CC1OCCC1N\C=C\C(O)=O Amb25353076 [0,0,0,1,0,0|2,0,0]=3 190 B12R1.130 CN1CCCC1CNCC(O)=O Amb22226811 [0,0,0,1,0,0|2,0,1]=4 191 B12R1.130 CN1CCCC1COCC(O)=O Amb21861056 [0,0,0,1,0,0|2,0,1]=4 192 B12R1.130 CN1CCC[C@H]1CNCC(O)=O Amb22226852 [0,0,0,1,0,0|2,0,1]=4 193 B12R1.130 CN1CCC[C@H]1COCC(O)=O Amb22224778 [0,0,0,1,0,0|2,0,1]=4 194 B12R1.130 OC(=O)\C=C\CC1CCCC1=O Amb25772855 [0,0,0,1,0,0|1,0,1]=3 195 B12R1.130 OC(=O)\C=C\CN1CCCC1=O Amb18988763 [0,0,0,1,0,0|2,0,1]=4 196 B12R1.130 OC1COCC1N\C=C\C(O)=O Amb24649151 [0,0,0,1,0,0|3,0,0]=4 197 B12R1.141 CC1CC(=O)CCCCCCC1 Amb25373271 [0,0,0,1,0,0|1,0,2]=4 198 B12R1.170 CCCC1CCCCCC(=O)N1 Amb25035234 [0,0,0,1,0,0|1,0,2]=4 199 B12R1.210 CC(=O)\C=C/1\CCCCCC1=O Amb24721752 [0,0,0,1,0,0|2,0,1]=4 200 B12R1.210 CC1CCCCCC1NC(N)=O Amb24483653 [0,0,0,1,0,0|2,0,1]=4 201 B12R1.210 CC1CCCCCN1CC(C)=O Amb25836787 [0,0,0,1,0,0|2,0,1]=4 202 B12R1.210 CC1CCCCCN1CC(O)=O Amb25247054 [0,0,0,1,0,0|1,0,1]=3 203 B12R1.210 C[C@@H]1NCCCC[C@H]1CC(O)=O Amb18198536 [0,0,0,1,0,0|1,0,2]=4 204 B12R1.210 OC1CCCCCC1CC(O)=O Amb18198284 [0,0,0,1,0,0|1,0,2]=4 205 B12R1.212 CN1CCCCCCC1C(O)=O Amb25816705 [0,0,0,1,0,0|1,0,2]=4 206 B12R1.212 NC1CCCCCCC1C(O)=O Amb20667806 [0,0,0,1,0,0|1,0,2]=4 207 B12R1.212 NC1CCCCCCC1C(O)=O Amb22059713 [0,0,0,1,0,0|1,0,2]=4 208 B12R1.212 NC=1CCCCCCC1C(O)=O Amb24722108 [0,0,0,1,0,0|1,0,2]=4 209 B12R1.212 N[C@H]1CCCCCC[C@@H]1C(O)=O Amb25245343 [0,0,0,1,0,0|1,0,2]=4 210 B12R1.212 OC(=O)C=1CCCCCCC1Cl Amb24650994 [0,0,0,1,0,0|1,0,2]=4 211 B12R1.212 OC(=O)[C@@H]1CCCCCC[C@@H]1N Amb1993854 [0,0,0,1,0,0|1,0,2]=4 212 B12R1.212 OC(=O)[C@H]1CCCCCC[C@H]1N Amb1993853 [0,0,0,1,0,0|1,0,2]=4 213 B12R1.212 O[C@@H]1CCCCCC[C@@H]1C(O)=O Amb24692827 [0,0,0,1,0,0|1,0,2]=4 214 B12R1.212 O[C@H]1CCCCCC[C@H]1C(O)=O Amb24739651 [0,0,0,1,0,0|1,0,2]=4 215 B12R1.215 O=C1CC=CCCCCCCC1 Amb25112664 [0,0,0,1,0,0|1,0,2]=4 216 B12R1.215 O=C1CCCCCCCCC#C1 Amb25706996 [0,0,0,1,0,0|1,0,2]=4 217 B12R1.215 O=C1CCCCCCCCCO1 Amb22732305 [0,0,0,1,0,0|0,0,2]=3 218 B12R1.252 CC(=O)OCCC1CCCCC1 Amb22336360 [0,0,0,1,0,0|2,0,1]=4 219 B12R1.252 CC(=O)\C=C/NC1CCCCC1 Amb24341845 [0,0,0,1,0,0|2,0,0]=3 220 B12R1.252 CC(=O)\C=C\C=C1CCCCC1 Amb25179674 [0,0,0,1,0,0|1,0,2]=4 221 B12R1.252 CC(=O)\C=C\CC1CCCCC1 Amb24424879 [0,0,0,1,0,0|1,0,0]=2 222 B12R1.252 CC(=O)\C=C\CC1CCCCO1 Amb24715928 [0,0,0,1,0,0|2,0,0]=3 223 B12R1.252 CC(=O)\C=N\NC1CCCCC1 Amb24706976 [0,0,0,1,0,0|3,0,0]=4 224 B12R1.252 CC(C)=C\C=C/C1CCCCC1 Amb22546613 [0,0,0,1,0,0|2,0,1]=4 225 B12R1.252 CC(O)\C=C\CC1CCCCO1 Amb25344974 [0,0,0,1,0,0|2,0,1]=4 226 B12R1.252 NC(=O)CNCC1CCCCC1 Amb1113547 [0,0,0,1,0,0|2,0,1]=4 227 B12R1.252 NC(=O)NCCC1CCCCC1 Amb18801889 [0,0,0,1,0,0|2,0,1]=4 228 B12R1.252 OB(O)\C=C\CC1CCCCC1 Amb25757875 [0,0,0,1,0,0|1,0,1]=3 229 B12R1.252 OC(=O)C#CCC1CCCCO1 Amb24373906 [0,0,0,1,0,0|1,0,2]=4 230 B12R1.252 OC(=O)C=NOC1CCCCO1 Amb24442952 [0,0,0,1,0,0|3,0,0]=4 231 B12R1.252 OC(=O)CCCC1CCCCC1 Amb22360661 [0,0,0,1,0,0|0,0,2]=3 232 B12R1.252 OC(=O)CCCC1CCCCN1 Amb1101084 [0,0,0,1,0,0|1,0,2]=4 233 B12R1.252 OC(=O)CCCC1CCCCN1 Amb22284114 [0,0,0,1,0,0|1,0,2]=4 234 B12R1.252 OC(=O)CCCC1CCNCC1 Amb1101085 [0,0,0,1,0,0|1,0,2]=4 235 B12R1.252 OC(=O)\C=C/SC1CCCCC1 Amb24571677 [0,0,0,1,0,0|1,0,0]=2 236 B12R1.252 OC(=O)\C=C\C=C1CCCCC1 Amb18646569 [0,0,0,1,0,0|0,0,2]=3 237 B12R1.252 OC(=O)\C=C\C=C1CCCOC1 Amb24414493 [0,0,0,1,0,0|1,0,2]=4 238 B12R1.252 OC(=O)\C=C\C=C1CCCSC1 Amb25156715 [0,0,0,1,0,0|1,0,2]=4 239 B12R1.252 OC(=O)\C=C\C=C1CCOCC1 Amb25156714 [0,0,0,1,0,0|1,0,2]=4 240 B12R1.252 OC(=O)\C=C\CC1CCNCC1 Amb24677696 [0,0,0,1,0,0|1,0,0]=2 241 B12R1.252 OC(=O)\C=C\CN1CCCCC1 Amb18988789 [0,0,0,1,0,0|1,0,0]=2 242 B12R1.252 OC(=O)\C=C\CN1CCNCC1 Amb18990081 [0,0,0,1,0,0|2,0,0]=3 243 B12R1.252 OC(=O)\C=C\CN1CCOCC1 Amb18296130 [0,0,0,1,0,0|2,0,0]=3 244 B12R1.252 OC(=O)\C=C\CN1CCSCC1 Amb18296451 [0,0,0,1,0,0|2,0,0]=3 245 B12R1.252 OC(=O)\C=C\NC1CCCCC1 Amb24658894 [0,0,0,1,0,0|1,0,0]=2 246 B12R1.252 OC(=O)\C=C\NC1COCCC1 Amb25159785 [0,0,0,1,0,0|2,0,0]=3 247 B12R1.252 OC(=O)\C=C\NN1CCOCC1 Amb25720447 [0,0,0,1,0,0|3,0,0]=4 248 B12R1.252 OC(=O)\C=C\OC1CCCCC1 Amb18647362 [0,0,0,1,0,0|1,0,0]=2 249 B12R1.252 OC(=O)\C=C\OC1CCCCO1 Amb24417321 [0,0,0,1,0,0|2,0,0]=3 250 B12R1.252 OC(=O)\C=C\SC1CCCCC1 Amb25693595 [0,0,0,1,0,0|1,0,0]=2 251 B12R1.252 [O-]C(=O)CCCC1CCCCC1 Amb10601869 [0,0,0,1,0,0|0,0,3]=4 252 B12R1.252 [O-]C(=O)CCCC1CCCCC1 Amb22053703 [0,0,0,1,0,0|0,0,3]=4 253 B12R1.255 CC(=O)\C=C\C=C\C1CCCC1 Amb25319952 [0,0,0,1,0,0|1,0,2]=4 254 B12R1.255 OC(=O)C#CCCC1CCCC1 Amb25089799 [0,0,0,1,0,0|0,0,2]=3 255 B12R1.255 OC(=O)CCCCN1CCCC1 Amb10610408 [0,0,0,1,0,0|1,0,2]=4 256 B12R1.255 OC(=O)CCCNC1CCCC1 Amb1110062 [0,0,0,1,0,0|1,0,2]=4 257 B12R1.255 OC(=O)CSCCN1CCCC1 Amb13949167 [0,0,0,1,0,0|2,0,1]=4 258 B12R1.255 OC(=O)\C=C\C=CC1CCCO1 Amb25156710 [0,0,0,1,0,0|1,0,2]=4 259 B12R1.255 OC(=O)\C=C\C=CC1COCC1 Amb25057098 [0,0,0,1,0,0|1,0,2]=4 260 B12R1.255 OC(=O)\C=C\NCC1CCCC1 Amb25805743 [0,0,0,1,0,0|1,0,0]=2 261 B12R1.255 OC(=O)\C=C\NCC1CCCS1 Amb25329944 [0,0,0,1,0,0|2,0,0]=3 262 B12R1.283 CC(=O)C1=CCCCC1CC=O Amb24497013 [0,0,0,1,0,0|2,0,1]=4 263 B12R1.283 CCCC1CCCCN1C(C)=O Amb25758684 [0,0,0,1,0,0|2,0,1]=4 264 B12R1.283 CCCC1OCCCC1C(=O)O Amb10609660 [0,0,0,1,0,0|1,0,2]=4 265 B12R1.283 CCCC=1SCCSC1C(O)=O Amb25759066 [0,0,0,1,0,0|2,0,1]=4 266 B12R1.283 CCCN1CCCCC1C(=O)O Amb10609773 [0,0,0,1,0,0|1,0,2]=4 267 B12R1.283 CCCN1CCCCC1C(=O)O Amb1110568 [0,0,0,1,0,0|1,0,2]=4 268 B12R1.283 CCC[C@H]1CCCCN1C(C)=O Amb25707921 [0,0,0,1,0,0|2,0,1]=4 269 B12R1.283 CCNC1CCCCC1C(O)=O Amb24426291 [0,0,0,1,0,0|1,0,2]=4 270 B12R1.283 CCN[C@@H]1CCCC[C@@H]1C(O)=O Amb24512176 [0,0,0,1,0,0|1,0,2]=4 271 B12R1.283 CCSC1CCCCC1C(O)=O Amb18303075 [0,0,0,1,0,0|1,0,2]=4 272 B12R1.283 CNCC1CCCCC1C(O)=O Amb24436013 [0,0,0,1,0,0|1,0,2]=4 273 B12R1.283 OC(=O)C1CCCCC1CCF Amb25202422 [0,0,0,1,0,0|1,0,2]=4 274 B12R1.283 OC(=O)N1CCCCC1CCCl Amb24089605 [0,0,0,1,0,0|2,0,1]=4 275 B12R1.283 [N-]=[N+]=NC1CCCC=C1C(O)=O Amb24743289 [0,0,0,1,0,0|3,0,0]=4 276 B12R1.289 COCC1CCCN1CC(O)=O Amb21860507 [0,0,0,1,0,0|2,0,1]=4 277 B12R1.321 CCCCC1CC(=O)C=CCC1 Amb25273116 [0,0,0,1,0,0|1,0,0]=2 278 B12R1.321 CCCCC1CC(=O)NCCC1 Amb25785211 [0,0,0,1,0,0|2,0,1]=4 279 B12R1.321 CCCCC1CCCCC(=O)O1 Amb22230135 [0,0,0,1,0,0|0,0,2]=3 280 B12R1.321 CCCC[C@@H]1CC(=O)CCCC1 Amb24584524 [0,0,0,1,0,0|1,0,2]=4 281 B12R1.321 OCCOC1CC(=O)C=CCC1 Amb24408332 [0,0,0,1,0,0|3,0,0]=4 282 B12R1.386 CCCCc1[nH][n]cc1C(O)=O Amb20676231 [0,0,0,1,0,0|2,0,1]=4 283 B12R1.386 CCCCc1[s]ccc1C(O)=O Amb24309094 [0,0,0,1,0,0|1,0,2]=4 284 B12R1.386 CCCCn1nncc1C(=O)O Amb17534973 [0,0,0,1,0,0|3,0,0]=4 285 B12R1.405 CC(O)C1=CCCCCC1OC Amb25687887 [0,0,0,1,0,0|2,0,1]=4 286 B12R1.405 CCC1CCCCCC1C(O)=O Amb25336577 [0,0,0,1,0,0|0,0,2]=3 287 B12R1.405 CCC1CCCCCN1C(=O)Cl Amb24454511 [0,0,0,1,0,0|2,0,1]=4 288 B12R1.405 CCC1CCCCCN1C(C)=O Amb25035126 [0,0,0,1,0,0|2,0,1]=4 289 B12R1.405 CCN1CCCCCC1C(O)=O Amb23585538 [0,0,0,1,0,0|1,0,2]=4 290 B12R1.405 CC[C@@H]1CCCCC[C@@H]1C(C)=O Amb25373139 [0,0,0,1,0,0|1,0,2]=4 291 B12R1.405 CC[C@@H]1NCCCC[C@H]1C(O)=O Amb18198539 [0,0,0,1,0,0|1,0,2]=4 292 B12R1.405 COC1CCCCC=C1C(O)=O Amb25101634 [0,0,0,1,0,0|1,0,0]=2 293 B12R1.405 CO[C@@H]1CCCCC[C@@H]1C(O)=O Amb25361094 [0,0,0,1,0,0|1,0,2]=4 294 B12R1.405 CO[C@@H]1CCCCC[C@H]1C(O)=O Amb24656000 [0,0,0,1,0,0|1,0,2]=4 295 B12R1.405 CSC1CCCCCC1C(O)=O Amb18967402 [0,0,0,1,0,0|1,0,2]=4 296 B12R1.405 OCC1CCCCCC1C(O)=O Amb25799614 [0,0,0,1,0,0|1,0,2]=4 297 B12R1.1335 CC(=O)N1CCCCCCCC1 Amb25169087 [0,0,0,1,0,0|2,0,1]=4 298 B12R1.1335 NC(=O)C1CCCCCCCC1 Amb25685314 [0,0,0,1,0,0|1,0,2]=4 299 B12R1.1335 NC(=O)N1CCCCCCCC1 Amb25087978 [0,0,0,1,0,0|2,0,1]=4 300 B12R1.1335 OC(=O)C1CCCCCCCC1 Amb25034740 [0,0,0,1,0,0|0,0,2]=3 301 B12R1.1335 OC(=O)C1CCCCCCNN1 Amb24574710 [0,0,0,1,0,0|2,0,1]=4 302 B12R1.1343 CC(=O)COC1CCCCCC1 Amb18793663 [0,0,0,1,0,0|2,0,1]=4 303 B12R1.1343 CC(=O)\C=C\C=1CCCCCC1 Amb24584489 [0,0,0,1,0,0|1,0,2]=4 304 B12R1.1343 CC(=O)\C=C\N1CCCCCC1 Amb22524689 [0,0,0,1,0,0|2,0,0]=3 305 B12R1.1343 CC(Cl)\C=C\C1CCCCCC1 Amb25832959 [0,0,0,1,0,0|2,0,1]=4 306 B12R1.1343 CC(N)\C=C\C1CCCCCC1 Amb25727000 [0,0,0,1,0,0|2,0,1]=4 307 B12R1.1343 CC(O)\C=C\C1CCCCCC1 Amb25296665 [0,0,0,1,0,0|1,0,1]=3 308 B12R1.1343 NC(=O)CCC1CCCCCC1 Amb25061418 [0,0,0,1,0,0|1,0,2]=4 309 B12R1.1343 NC(=O)CNC1CCCCCC1 Amb1114001 [0,0,0,1,0,0|2,0,1]=4 310 B12R1.1343 NC(=O)COC1CCCCCC1 Amb18802288 [0,0,0,1,0,0|2,0,1]=4 311 B12R1.1343 NC(=O)\C=C/C1CCCCCC1 Amb25076691 [0,0,0,1,0,0|1,0,0]=2 312 B12R1.1343 OC(=O)C#CC1CCCCCC1 Amb24556561 [0,0,0,1,0,0|0,0,2]=3 313 B12R1.1343 OC(=O)CCC1CCCCCC1 Amb18825578 [0,0,0,1,0,0|0,0,2]=3 314 B12R1.1343 OC(=O)CCC1CCCCCN1 Amb18198528 [0,0,0,1,0,0|1,0,2]=4 315 B12R1.1343 OC(=O)CCC1CCCNCC1 Amb18198557 [0,0,0,1,0,0|1,0,2]=4 316 B12R1.1343 OC(=O)CCC1CCCOCC1 Amb18825358 [0,0,0,1,0,0|1,0,2]=4 317 B12R1.1343 OC(=O)CCC1CCCSCC1 Amb18820668 [0,0,0,1,0,0|1,0,2]=4 318 B12R1.1343 OC(=O)CNN1CCCCCC1 Amb25111269 [0,0,0,1,0,0|2,0,1]=4 319 B12R1.1343 OC(=O)COC1CCCCCC1 Amb18972071 [0,0,0,1,0,0|1,0,1]=3 320 B12R1.1343 OC(=O)CSC1CCCCCC1 Amb24493198 [0,0,0,1,0,0|1,0,1]=3 321 B12R1.1343 OC(=O)\C=C\C1CCCCCC1 Amb24715822 [0,0,0,1,0,0|0,0,0]=1 322 B12R1.1343 OC(=O)\C=C\N1CCCNCC1 Amb25803697 [0,0,0,1,0,0|2,0,0]=3 323 B12R1.1343 OC(=O)\C=C\N1CCCOCC1 Amb24663288 [0,0,0,1,0,0|2,0,0]=3 324 B12R1.1392 BrC(Br)=CC1CCCCCCC1 Amb24494606 [0,0,0,1,0,0|2,0,1]=4 325 B12R1.1392 CC(=O)CC=1CCCCCCC1 Amb24532525 [0,0,0,1,0,0|1,0,2]=4 326 B12R1.1392 NC(=O)CC1CCCCCCC1 Amb25798922 [0,0,0,1,0,0|1,0,2]=4 327 B12R1.1392 NC(=O)CN1CCCCCCC1 Amb18806561 [0,0,0,1,0,0|2,0,1]=4 328 B12R1.1392 OC(=O)CC=1CCCCCCC1 Amb25751340 [0,0,0,1,0,0|0,0,2]=3 329 B9R0.2 BrCCCCCCC(=O)O Amb10071514 [2,0,0,0,0,0|1,0,0]=3 330 B9R0.2 C#CCCCCCC(O)=O Amb22232010 [2,0,0,0,0,0|0,0,2]=4 331 B9R0.2 C=NCCCCCC(O)=O Amb25111950 [2,0,0,0,0,0|1,0,1]=4 332 B9R0.2 CC(=O)CCCCCCBr Amb24436166 [2,0,0,0,0,0|2,0,0]=4 333 B9R0.2 CC(=O)CCCCCCF Amb25050277 [2,0,0,0,0,0|2,0,0]=4 334 B9R0.2 CC(=O)CCCCCCN Amb25147578 [2,0,0,0,0,0|2,0,0]=4 335 B9R0.2 CC(=O)CCCCCCO Amb25728037 [2,0,0,0,0,0|2,0,0]=4 336 B9R0.2 CC(=O)\C=C\CCCCBr Amb24477141 [2,0,0,0,0,0|2,0,0]=4 337 B9R0.2 CC(=O)\C=C\CCCCO Amb24518640 [2,0,0,0,0,0|2,0,0]=4 338 B9R0.2 CCCCC=C=CC(=O)O Amb17593544 [2,0,0,0,0,0|0,0,2]=4 339 B9R0.2 CCCCCCC=C(C)C Amb24539575 [2,0,0,0,0,0|2,0,0]=4 340 B9R0.2 CCCCCCCB(O)O Amb13890611 [2,0,0,0,0,0|1,0,1]=4 341 B9R0.2 CCCCCCCC(=O)S Amb10561702 [2,0,0,0,0,0|0,1,0]=3 342 B9R0.2 CCCCCCCC(O)=O Amb22352272 [2,0,0,0,0,0|0,0,0]=2 343 B9R0.2 CCCCCCCC(O)=O Amb22353407 [2,0,0,0,0,0|0,0,0]=2 344 B9R0.2 CCCCCCCC([O-])=O Amb22045472 [2,0,0,0,0,0|0,0,1]=3 345 B9R0.2 CCCCCCCC([O-])=O Amb22731641 [2,0,0,0,0,0|0,0,1]=3 346 B9R0.2 CCCCCCCC([O-])=O Amb22732291 [2,0,0,0,0,0|0,0,1]=3 347 B9R0.2 CCCCCCCC([O-])=O Amb22732747 [2,0,0,0,0,0|0,0,1]=3 348 B9R0.2 CCCCCCC[13C](O)=O Amb20243497 [2,0,0,0,0,0|0,0,0]=2 349 B9R0.2 CCCCCCC[13C]([O-])=O Amb22366893 [2,0,0,0,0,0|0,0,1]=3 350 B9R0.2 CCCCCCC[C@@H](C)O Amb22362646 [2,0,0,0,0,0|1,0,1]=4 351 B9R0.2 CCCCCCC[C@H](C)O Amb22362633 [2,0,0,0,0,0|1,0,1]=4 352 B9R0.2 CCCCCCC[N+]([O-])=O Amb17672611 [2,0,0,0,0,0|1,0,1]=4 353 B9R0.2 CCCCCCNC(N)=O Amb23569596 [2,0,0,0,0,0|2,0,0]=4 354 B9R0.2 CCCCCCNC(O)=S Amb24375451 [2,0,0,0,0,0|1,1,0]=4 355 B9R0.2 CCCCCCOC(=O)Cl Amb10070637 [2,0,0,0,0,0|2,0,0]=4 356 B9R0.2 CCCCCCOC(N)=O Amb22495526 [2,0,0,0,0,0|2,0,0]=4 357 B9R0.2 CCCCCCSC(N)=O Amb25765687 [2,0,0,0,0,0|2,0,0]=4 358 B9R0.2 CCCCCC[13CH2]C(O)=O Amb22367410 [2,0,0,0,0,0|0,0,0]=2 359 B9R0.2 CCCCCC[13CH2][13C](O)=O Amb22367490 [2,0,0,0,0,0|0,0,0]=2 360 B9R0.2 CCCCCNCC(=O)Cl Amb25248398 [2,0,0,0,0,0|2,0,0]=4 361 B9R0.2 CCCCCOCC(N)=O Amb25770302 [2,0,0,0,0,0|2,0,0]=4 362 B9R0.2 CCCCCSCC(N)=O Amb24524402 [2,0,0,0,0,0|2,0,0]=4 363 B9R0.2 CCCCC\C=C/C(C)=O Amb25783438 [2,0,0,0,0,0|1,0,0]=3 364 B9R0.2 CCCCC\C=C\B(O)O Amb10068584 [2,0,0,0,0,0|1,0,1]=4 365 B9R0.2 CCCCC\C=C\C(=O)Cl Amb24754105 [2,0,0,0,0,0|1,0,0]=3 366 B9R0.2 CCCCC\C=C\C(C)=O Amb22052624 [2,0,0,0,0,0|1,0,0]=3 367 B9R0.2 CCCCC\C=C\C(N)=N Amb25260868 [2,0,0,0,0,0|2,0,0]=4 368 B9R0.2 CCCCC\C=C\[C@@H](C)O Amb25795409 [2,0,0,0,0,0|1,0,1]=4 369 B9R0.2 CCCCN\C=C/C(C)=O Amb25348567 [2,0,0,0,0,0|2,0,0]=4 370 B9R0.2 CCCCN\C=C\C(C)=O Amb25147404 [2,0,0,0,0,0|2,0,0]=4 371 B9R0.2 CCCCN\C=C\C(O)=O Amb25703721 [2,0,0,0,0,0|1,0,0]=3 372 B9R0.2 CCCCO\C=C\C(C)=O Amb25146855 [2,0,0,0,0,0|2,0,0]=4 373 B9R0.2 CCCCO\C=C\C(O)=O Amb18644130 [2,0,0,0,0,0|1,0,0]=3 374 B9R0.2 CCCCSCCC(=O)O Amb1032992 [2,0,0,0,0,0|1,0,0]=3 375 B9R0.2 CCCCSCCC(N)=O Amb18798040 [2,0,0,0,0,0|2,0,0]=4 376 B9R0.2 CCCCS\C=C/C(O)=O Amb18645412 [2,0,0,0,0,0|1,0,0]=3 377 B9R0.2 CCCCS\C=C\C(O)=O Amb24380477 [2,0,0,0,0,0|1,0,0]=3 378 B9R0.2 CCCC[13CH2][13CH2][13CH2][13C](O)=O Amb22351826 [2,0,0,0,0,0|0,0,0]=2 379 B9R0.2 CCCNCCCC(=O)O Amb1109953 [2,0,0,0,0,0|1,0,0]=3 380 B9R0.2 CCCNCCCC(N)=O Amb24513695 [2,0,0,0,0,0|2,0,0]=4 381 B9R0.2 CCCON\C=C\C(O)=O Amb24391769 [2,0,0,0,0,0|2,0,0]=4 382 B9R0.2 CCC\C=C\C=C\C(O)=O Amb25836826 [2,0,0,0,0,0|0,0,2]=4 383 B9R0.2 CCC\C=C\CCC(O)=O Amb25378821 [2,0,0,0,0,0|0,0,2]=4 384 B9R0.2 CCNCCCCC(O)=O Amb24385094 [2,0,0,0,0,0|1,0,0]=3 385 B9R0.2 CCNCCNCC(O)=O Amb24568313 [2,0,0,0,0,0|2,0,0]=4 386 B9R0.2 CCNCCOCC(O)=O Amb18111801 [2,0,0,0,0,0|2,0,0]=4 387 B9R0.2 CCSCCNCC(O)=O Amb24652163 [2,0,0,0,0,0|2,0,0]=4 388 B9R0.2 CCSCCOCC(O)=O Amb24716269 [2,0,0,0,0,0|2,0,0]=4 389 B9R0.2 CCSCC\C=C\C(O)=O Amb25200813 [2,0,0,0,0,0|1,0,0]=3 390 B9R0.2 CC\C=C\CCCC(O)=O Amb18643886 [2,0,0,0,0,0|0,0,2]=4 391 B9R0.2 CNCCCCCC(C)=O Amb25728176 [2,0,0,0,0,0|2,0,0]=4 392 B9R0.2 CNCCCCCC(O)=O Amb25704769 [2,0,0,0,0,0|1,0,0]=3 393 B9R0.2 CNCCCNCC(O)=O Amb25292252 [2,0,0,0,0,0|2,0,0]=4 394 B9R0.2 CNCCOCCC(O)=O Amb18111840 [2,0,0,0,0,0|2,0,0]=4 395 B9R0.2 COCCCCCC(=O)O Amb10607872 [2,0,0,0,0,0|1,0,0]=3 396 B9R0.2 COCCCOCC(O)=O Amb25304314 [2,0,0,0,0,0|2,0,0]=4 397 B9R0.2 COCCCSCC(O)=O Amb18798347 [2,0,0,0,0,0|2,0,0]=4 398 B9R0.2 COCCC\C=C\C(C)=O Amb25125817 [2,0,0,0,0,0|2,0,0]=4 399 B9R0.2 COCCN\C=C\C(O)=O Amb24479660 [2,0,0,0,0,0|2,0,0]=4 400 B9R0.2 CONCCCCC(O)=O Amb25694999 [2,0,0,0,0,0|2,0,0]=4 401 B9R0.2 CSCCNCCC(O)=O Amb25055507 [2,0,0,0,0,0|2,0,0]=4 402 B9R0.2 CSCCOCCC(O)=O Amb25173504 [2,0,0,0,0,0|2,0,0]=4 403 B9R0.2 CSCCSCCC(O)=O Amb25798868 [2,0,0,0,0,0|2,0,0]=4 404 B9R0.2 CSCCS\C=C\C(O)=O Amb24504431 [2,0,0,0,0,0|2,0,0]=4 405 B9R0.2 CSSCCCCC(O)=O Amb24429106 [2,0,0,0,0,0|2,0,0]=4 406 B9R0.2 C[13CH2]CCCCCC(O)=O Amb22367488 [2,0,0,0,0,0|0,0,0]=2 407 B9R0.2 C\C=C\CCCCC(O)=O Amb18643887 [2,0,0,0,0,0|0,0,2]=4 408 B9R0.2 C\C=C\CC\C=C\C(O)=O Amb25111532 [2,0,0,0,0,0|0,0,2]=4 409 B9R0.2 ClCCCCCCC(=O)O Amb17594087 [2,0,0,0,0,0|1,0,0]=3 410 B9R0.2 N#CCCCCCC(O)=O Amb18643705 [2,0,0,0,0,0|1,0,1]=4 411 B9R0.2 N#CCCC\C=C\C(O)=O Amb25231131 [2,0,0,0,0,0|1,0,1]=4 412 B9R0.2 NCCCCCCC(=O)O Amb1151254 [2,0,0,0,0,0|1,0,0]=3 413 B9R0.2 NCCCCCCC(=O)O Amb16232099 [2,0,0,0,0,0|1,0,0]=3 414 B9R0.2 NCCCCSCC(=O)O Amb17500919 [2,0,0,0,0,0|2,0,0]=4 415 B9R0.2 NCCCC\C=C\C(O)=O Amb24502157 [2,0,0,0,0,0|1,0,0]=3 416 B9R0.2 NCCCN\C=C\C(O)=O Amb25834729 [2,0,0,0,0,0|2,0,0]=4 417 B9R0.2 NCCCOCCC(O)=O Amb18111494 [2,0,0,0,0,0|2,0,0]=4 418 B9R0.2 NCCCSCCC(O)=O Amb24496605 [2,0,0,0,0,0|2,0,0]=4 419 B9R0.2 NCCNC\C=C\C(O)=O Amb24595620 [2,0,0,0,0,0|2,0,0]=4 420 B9R0.2 NCCOCCCC(O)=O Amb18111467 [2,0,0,0,0,0|2,0,0]=4 421 B9R0.2 NCCSCCCC(=O)O Amb17500468 [2,0,0,0,0,0|2,0,0]=4 422 B9R0.2 NCCSC\C=C\C(O)=O Amb25089810 [2,0,0,0,0,0|2,0,0]=4 423 B9R0.2 NOCCCCCC(=O)O Amb10975958 [2,0,0,0,0,0|2,0,0]=4 424 B9R0.2 O=C(Cl)CCCCCCCl Amb24703296 [2,0,0,0,0,0|2,0,0]=4 425 B9R0.2 O=C(Cl)\C=C\CCCCCl Amb25074569 [2,0,0,0,0,0|2,0,0]=4 426 B9R0.2 OC(=O)CCCCCCF Amb25132501 [2,0,0,0,0,0|1,0,0]=3 427 B9R0.2 OC(=O)CCCCCCS Amb24710334 [2,0,0,0,0,0|1,0,0]=3 428 B9R0.2 OC(=O)CCCNCCF Amb25312142 [2,0,0,0,0,0|2,0,0]=4 429 B9R0.2 OC(=O)CCOCCCBr Amb25207601 [2,0,0,0,0,0|2,0,0]=4 430 B9R0.2 OC(=O)CCOCCCF Amb25794478 [2,0,0,0,0,0|2,0,0]=4 431 B9R0.2 OC(=O)CNCCCCCl Amb24505281 [2,0,0,0,0,0|2,0,0]=4 432 B9R0.2 OC(=O)CNCCCCF Amb24588093 [2,0,0,0,0,0|2,0,0]=4 433 B9R0.2 OC(=O)\C=C\CCCC=O Amb25253849 [2,0,0,0,0,0|1,0,1]=4 434 B9R0.2 OC(=O)\C=C\CCCCBr Amb18130981 [2,0,0,0,0,0|1,0,0]=3 435 B9R0.2 OC(=O)\C=C\CCCCCl Amb18645743 [2,0,0,0,0,0|1,0,0]=3 436 B9R0.2 OC(=O)\C=C\CNCCF Amb24411628 [2,0,0,0,0,0|2,0,0]=4 437 B9R0.2 OC(=O)\C=C\COCCBr Amb25131553 [2,0,0,0,0,0|2,0,0]=4 438 B9R0.2 OCCCCSCC(O)=O Amb18798269 [2,0,0,0,0,0|2,0,0]=4 439 B9R0.2 OCCCC\C=C\C(O)=O Amb18644146 [2,0,0,0,0,0|1,0,0]=3 440 B9R0.2 OCCCOCCC(O)=O Amb24476864 [2,0,0,0,0,0|2,0,0]=4 441 B9R0.2 OCCCS\C=C\C(O)=O Amb25130157 [2,0,0,0,0,0|2,0,0]=4 442 B9R0.2 OCCNC\C=C\C(O)=O Amb24541803 [2,0,0,0,0,0|2,0,0]=4 443 B9R0.2 ONCCCCCC(O)=O Amb25354224 [2,0,0,0,0,0|2,0,0]=4 444 B9R0.2 [13CH3]CCCCCCC(O)=O Amb22367137 [2,0,0,0,0,0|0,0,0]=2 445 B9R0.2 [13CH3][13CH2]CCCCCC(O)=O Amb22367489 [2,0,0,0,0,0|0,0,0]=2 446 B9R0.45 C=CCCCCCCCBr Amb19895211 [2,0,0,0,0,0|1,0,1]=4 447 B9R0.45 C=CCCCCCCCN Amb24763980 [2,0,0,0,0,0|1,0,1]=4 448 B9R0.45 C=CCCCCCCCO Amb22733549 [2,0,0,0,0,0|1,0,1]=4 449 B9R0.45 C=CCCCC\C=C\C=O Amb17593510 [2,0,0,0,0,0|0,0,2]=4 450 B9R0.45 C=COCCCCCCBr Amb25804472 [2,0,0,0,0,0|2,0,0]=4 451 B9R0.45 C=COCCCCCCCl Amb25340486 [2,0,0,0,0,0|2,0,0]=4 452 B9R0.45 CC#CCCC\C=C\C=O Amb24418091 [2,0,0,0,0,0|0,0,2]=4 453 B9R0.45 CCCCC#C\C=C/C=O Amb24399714 [2,0,0,0,0,0|0,0,2]=4 454 B9R0.45 CCCCC#C\C=C\C=O Amb24564368 [2,0,0,0,0,0|0,0,2]=4 455 B9R0.45 CCCCCCC#CC=O Amb25227346 [2,0,0,0,0,0|0,0,2]=4 456 B9R0.45 CCCCCCC=CC=O Amb24061310 [2,0,0,0,0,0|0,0,0]=2 457 B9R0.45 CCCCCCCC=NO Amb25207893 [2,0,0,0,0,0|1,0,0]=3 458 B9R0.45 CCCCCCCOC=C Amb25817973 [2,0,0,0,0,0|1,0,0]=3 459 B9R0.45 CCCCCCC\C=C\Cl Amb25322197 [2,0,0,0,0,0|1,0,0]=3 460 B9R0.45 CCCCCCC\C=C\I Amb24708038 [2,0,0,0,0,0|1,0,0]=3 461 B9R0.45 CCCCCCNC=NO Amb25123252 [2,0,0,0,0,0|2,0,0]=4 462 B9R0.45 CCCCCCOCC=C Amb17933923 [2,0,0,0,0,0|1,0,1]=4 463 B9R0.45 CCCCCCSCC=C Amb22733767 [2,0,0,0,0,0|1,0,1]=4 464 B9R0.45 CCCCCC\C=C/C=C Amb22641680 [2,0,0,0,0,0|0,0,1]=3 465 B9R0.45 CCCCCC\C=C/CO Amb10807383 [2,0,0,0,0,0|0,0,1]=3 466 B9R0.45 CCCCCC\C=C\CBr Amb25046739 [2,0,0,0,0,0|1,0,1]=4 467 B9R0.45 CCCCCC\C=C\CCl Amb25728404 [2,0,0,0,0,0|1,0,1]=4 468 B9R0.45 CCCCCC\C=C\CO Amb22168300 [2,0,0,0,0,0|0,0,1]=3 469 B9R0.45 CCCCCSCCC=C Amb25120497 [2,0,0,0,0,0|1,0,1]=4 470 B9R0.45 CCCCCSC\C=C\Cl Amb24457647 [2,0,0,0,0,0|2,0,0]=4 471 B9R0.45 CCCCCS\C=C\CO Amb24414212 [2,0,0,0,0,0|1,0,1]=4 472 B9R0.45 CCCCC\C=C/CC=O Amb22731181 [2,0,0,0,0,0|0,0,2]=4 473 B9R0.45 CCCCC\C=C\C=CCl Amb24561711 [2,0,0,0,0,0|1,0,1]=4 474 B9R0.45 CCCCC\C=C\C=CN Amb25224315 [2,0,0,0,0,0|1,0,1]=4 475 B9R0.45 CCCCNC\C=C\C=C Amb24621855 [2,0,0,0,0,0|1,0,1]=4 476 B9R0.45 CCCCOCCCC=C Amb25662912 [2,0,0,0,0,0|1,0,1]=4 477 B9R0.45 CCCCOCCOC=C Amb22363292 [2,0,0,0,0,0|2,0,0]=4 478 B9R0.45 CCCCSCCCC=C Amb24482054 [2,0,0,0,0,0|1,0,1]=4 479 B9R0.45 CCCCSC\C=C\C=O Amb25041125 [2,0,0,0,0,0|1,0,0]=3 480 B9R0.45 CCCC\C=C/C=C/C=O Amb25770096 [2,0,0,0,0,0|0,0,2]=4 481 B9R0.45 CCCNCCCC=C=C Amb24529272 [2,0,0,0,0,0|1,0,1]=4 482 B9R0.45 CCC\C=C/C\C=C\C=O Amb25325046 [2,0,0,0,0,0|0,0,2]=4 483 B9R0.45 CCC\C=C\C\C=C\C=O Amb18643331 [2,0,0,0,0,0|0,0,2]=4 484 B9R0.45 CCOCCCCCC=O Amb25724799 [2,0,0,0,0,0|1,0,1]=4 485 B9R0.45 CCSCCCCCC=O Amb25205442 [2,0,0,0,0,0|1,0,1]=4 486 B9R0.45 CC\C=C/CCCCCC Amb22230427 [2,0,0,0,0,0|1,0,1]=4 487 B9R0.45 CC\C=C\CCCCCC Amb22231672 [2,0,0,0,0,0|1,0,1]=4 488 B9R0.45 CC\C=C\CC\C=C\C=O Amb18124509 [2,0,0,0,0,0|0,0,2]=4 489 B9R0.45 COCCCCCNC=O Amb24688397 [2,0,0,0,0,0|2,0,0]=4 490 B9R0.45 COCOCC\C=C\C=O Amb25679546 [2,0,0,0,0,0|2,0,0]=4 491 B9R0.45 C\C=C/C=C\CCCCC Amb22641684 [2,0,0,0,0,0|1,0,1]=4 492 B9R0.45 C\C=C\CCCCCCC Amb22730483 [2,0,0,0,0,0|0,0,1]=3 493 B9R0.45 C\C=C\CCCNCCC Amb24359820 [2,0,0,0,0,0|1,0,1]=4 494 B9R0.45 C\C=C\CCC\C=C\C=O Amb24381698 [2,0,0,0,0,0|0,0,2]=4 495 B9R0.45 C\C=C\CCOCCCC Amb25695148 [2,0,0,0,0,0|1,0,1]=4 496 B9R0.45 O=CCCCCCCCF Amb25075653 [2,0,0,0,0,0|1,0,1]=4 497 B9R0.45 O=COCCCCCCBr Amb25074988 [2,0,0,0,0,0|2,0,0]=4 498 B9R0.45 OCCCCCCCC=O Amb25765567 [2,0,0,0,0,0|1,0,1]=4 499 B9R0.45 OCCCCCCNC=O Amb24452880 [2,0,0,0,0,0|2,0,0]=4 500 B9R0.45 OC\C=C\CCCCCBr Amb24666213 [2,0,0,0,0,0|1,0,1]=4 501 B9R0.45 OC\C=C\CCCCCCl Amb24604808 [2,0,0,0,0,0|1,0,1]=4 502 B11R0.2 CCCCCCC(C)OC(=O)Cl Amb24061311 [1,1,0,0,0,0|2,0,0]=4 503 B11R0.2 CCCCCCC(CC(=O)O)N Amb2229636 [1,1,0,0,0,0|0,0,1]=3 504 B11R0.2 CCCCCCC(O)CC(O)=O Amb18803982 [1,1,0,0,0,0|0,0,1]=3 505 B11R0.2 CCCCCCN(C)CC(O)=O Amb19373387 [1,1,0,0,0,0|1,0,1]=4 506 B11R0.30 CC(C)CCNCCCC(O)=O Amb24271192 [1,1,0,0,0,0|1,0,1]=4 507 B11R0.40 CCCCCCCNC(=O)CBr Amb17323631 [1,1,0,0,0,0|2,0,0]=4 508 B11R0.40 CCCCCCCNC(=O)CCl Amb17329833 [1,1,0,0,0,0|2,0,0]=4 509 B11R0.40 CCCCCCCNC(=O)CN Amb24115161 [1,1,0,0,0,0|2,0,0]=4 510 B11R0.40 CCCCCCCOC(=O)C=C Amb17934060 [1,1,0,0,0,0|2,0,0]=4 511 B11R0.40 CCCCC\C=C\CC(=O)OC Amb10807478 [1,1,0,0,0,0|0,0,2]=4 512 B11R0.40 COC(=O)CCCCCCCBr Amb24063235 [1,1,0,0,0,0|1,0,1]=4 513 B11R0.40 COC(=O)CCCCCCCN Amb20669115 [1,1,0,0,0,0|1,0,1]=4 514 B11R0.40 COC(=O)CCCCCCCN Amb24331924 [1,1,0,0,0,0|1,0,1]=4 515 B11R0.40 COC(=O)NCCCCCCO Amb24095886 [1,1,0,0,0,0|2,0,0]=4 516 B11R0.42 CCCCC#C\C=C(\Cl)/C(O)=O Amb25221210 [1,1,0,0,0,0|0,0,2]=4 517 B11R0.42 CCCCCCCC(=O)C(O)=O Amb22904309 [1,1,0,0,0,0|0,0,0]=2 518 B11R0.42 CCCCCCCC(Br)C(O)=O Amb21520353 [1,1,0,0,0,0|0,0,1]=3 519 B11R0.42 CCCCCCCC(C(=O)O)N Amb2229635 [1,1,0,0,0,0|0,0,1]=3 520 B11R0.42 CCCCCCCC(C)C(O)=O Amb18794410 [1,1,0,0,0,0|0,0,1]=3 521 B11R0.42 CCCCCCCC(O)C(O)=O Amb18790307 [1,1,0,0,0,0|0,0,1]=3 522 B11R0.42 CCCCCCC[C@@H](N)C(O)=O Amb22747720 [1,1,0,0,0,0|0,0,1]=3 523 B11R0.42 CCCCCC\C=C(/C)\C(C)O Amb22546750 [1,1,0,0,0,0|1,0,1]=4 524 B11R0.42 CCCCCSC[C@H](N)C(O)=O Amb22451173 [1,1,0,0,0,0|1,0,1]=4 525 B11R0.42 CCCCSCC[C@H](C(=O)O)N Amb17610162 [1,1,0,0,0,0|1,0,1]=4 526 B11R0.42 CCNCCCCC(C(=O)O)N Amb17614099 [1,1,0,0,0,0|1,0,1]=4 527 B11R0.42 C\C(=C\CCCCCC)\C(O)=O Amb22359372 [1,1,0,0,0,0|0,0,0]=2 528 B11R0.42 NCCCCCNC(=O)C(O)=O Amb24068947 [1,1,0,0,0,0|2,0,0]=4 529 B11R0.46 CCCCCC(CCC(=O)O)C Amb10807482 [1,1,0,0,0,0|0,0,1]=3 530 B11R0.46 CCCCCC(\C=C\C(=O)O)O Amb10549834 [1,1,0,0,0,0|0,0,0]=2 531 B11R0.46 CCCCNC(=O)\C=C\C(=O)O Amb1234975 [1,1,0,0,0,0|1,0,1]=4 532 B11R0.46 CCCCOC(=O)\C=C\C(O)=O Amb22351343 [1,1,0,0,0,0|1,0,1]=4 533 B11R0.111 CCC(C)CCCCCC(O)=O Amb22232340 [1,1,0,0,0,0|0,0,1]=3 534 B11R0.111 OC(=O)CCCCCC(F)CBr Amb22547633 [1,1,0,0,0,0|1,0,1]=4 535 B11R0.159 CCCCCCCCP(O)(O)=O Amb19515959 [1,1,0,0,0,0|1,0,1]=4 536 B11R0.159 CCCCCCCCS(O)(=O)=O Amb22228001 [1,1,0,0,0,0|1,0,1]=4 537 B11R0.176 OC(=O)CCCC[C@@H](S)CCS Amb24099064 [1,1,0,0,0,0|1,0,1]=4 538 B11R0.176 SCCC(CCCCC(=O)O)S Amb17595596 [1,1,0,0,0,0|1,0,1]=4 539 B11R0.3 CCCCCCCCOCC=O Amb18807440 [1,1,0,0,0,0|0,0,2]=4 540 B11R0.3 CCCCCCCC\C=C\C=O Amb22045177 [1,1,0,0,0,0|0,0,0]=2 541 B11R0.3 CCCCCCCC\C=C\CO Amb22052644 [1,1,0,0,0,0|0,0,1]=3 542 B11R0.3 CCCCCC\C=C\C=C\C=O Amb16233007 [1,1,0,0,0,0|0,0,1]=3 543 B11R0.3 CCCCCC\C=C\C=C\CO Amb22732394 [1,1,0,0,0,0|0,0,1]=3 544 B11R0.3 C\C=C\CCCCCCCCO Amb22641580 [1,1,0,0,0,0|1,0,1]=4 545 B11R0.3 O=CCCCCCCCCCBr Amb21963218 [1,1,0,0,0,0|0,0,2]=4 546 B11R0.4 CCCCCCCC(=O)OC=C Amb17672562 [1,1,0,0,0,0|2,0,0]=4 547 B11R0.4 C\C=C\C(=O)OCCCCCC Amb22363334 [1,1,0,0,0,0|2,0,0]=4 548 B13R0.274 CCCCCCCC(=O)CC(=O)OC Amb17617713 [0,2,0,0,0,0|0,0,1]=3 549 B13R0.274 CCCCCCCC(O)CC(=O)OC Amb21928817 [0,2,0,0,0,0|0,0,2]=4 550 B13R0.274 CCCCCCC[C@H](CC(=O)OC)O Amb17615271 [0,2,0,0,0,0|0,0,2]=4 551 B13R0.335 CCCCCCCCC(O)CC(O)=O Amb21928763 [0,2,0,0,0,0|0,0,2]=4 552 B13R0.335 CCCCCC\C=C\C(O)CC(O)=O Amb22831935 [0,2,0,0,0,0|0,0,2]=4 553 B13R0.1 CCCCCCC(=O)N\N=C\C(O)=O Amb19925672 [0,2,0,0,0,0|1,0,1]=4 554 B13R0.1 CCCCCCC(O)C\C=C\C(O)=O Amb22545321 [0,2,0,0,0,0|0,0,0]=2 555 B13R0.54 CCC#CCCC#CC\C=C\C(O)=O Amb24498256 [0,2,0,0,0,0|0,0,2]=4 556 B13R0.54 CCCCCCCCCC=CC(=O)O Amb13952752 [0,2,0,0,0,0|0,0,0]=2 557 B13R0.54 CCCCCCCCCCCC(O)=O Amb22348404 [0,2,0,0,0,0|0,0,2]=4 558 B13R0.54 CCCCCCCCCCCC(O)=O Amb22730643 [0,2,0,0,0,0|0,0,2]=4 559 B13R0.54 CCCCCCCCCCC[13C](O)=O Amb21928681 [0,2,0,0,0,0|0,0,2]=4 560 B13R0.54 CCCCCCCCCCC[14C](O)=O Amb22349630 [0,2,0,0,0,0|0,0,2]=4 561 B13R0.54 CCCCCCCCCC[13CH2]C(O)=O Amb22353612 [0,2,0,0,0,0|0,0,2]=4 562 B13R0.54 CCCCCCCCCC[13CH2][13C](O)=O Amb22353611 [0,2,0,0,0,0|0,0,2]=4 563 B13R0.54 CCCCCCCCSCCC(=O)O Amb1038994 [0,2,0,0,0,0|0,0,2]=4 564 B13R0.54 CCCCCCCC[13CH2][13CH2][13CH2][13C](O)=O Amb22353609 [0,2,0,0,0,0|0,0,2]=4 565 B13R0.54 CCCCCCC\C=C\COC(C)=O Amb22730835 [0,2,0,0,0,0|1,0,0]=3 566 B13R0.54 CCCCCC\C=C/CCCC(O)=O Amb20672025 [0,2,0,0,0,0|0,0,2]=4 567 B13R0.54 CCCCSCCCCCCC(=O)O Amb1036584 [0,2,0,0,0,0|0,0,2]=4 568 B13R0.54 N#CCCCCCCCCCC(O)=O Amb22547629 [0,2,0,0,0,0|0,0,2]=4 569 B13R0.54 OCCCCCCCCCCC(=O)O Amb1814707 [0,2,0,0,0,0|0,0,2]=4 570 B13R0.54 [13CH3]CCCCCCCCCCC(O)=O Amb22353502 [0,2,0,0,0,0|0,0,2]=4 571 B13R0.54 [13CH3]CCCCCCCCCC[13C](O)=O Amb22353610 [0,2,0,0,0,0|0,0,2]=4 572 B13R0.147 CCCCCCCCC#CC(=O)OC Amb22228923 [0,2,0,0,0,0|0,0,2]=4 573 B13R0.147 CCCCCCC\C=C\CC(=O)CC Amb21963232 [0,2,0,0,0,0|1,0,0]=3 574 B13R0.147 OCCCCCCCCCC(=O)OC Amb13887310 [0,2,0,0,0,0|0,0,2]=4 575 B13R0.150 CC(CCCCCCCCO)C(O)=O Amb20246737 [0,2,0,0,0,0|0,0,2]=4 576 B13R0.150 CCCCCCCCCC(C)C(O)=O Amb18320092 [0,2,0,0,0,0|0,0,2]=4 577 B13R0.150 CCCCCCCCCC(O)C(O)=O Amb22224801 [0,2,0,0,0,0|0,0,2]=4 578 B13R0.150 CCCCCCCCNC(=O)C(C)O Amb22346363 [0,2,0,0,0,0|1,0,1]=4 579 B13R0.154 CCCCCCCC(=O)COC(=O)C Amb10562376 [0,2,0,0,0,0|1,0,1]=4 580 B13R0.154 CCCCCCCC(O)CCC(O)=O Amb22058992 [0,2,0,0,0,0|0,0,2]=4 581 B13R0.179 CC(C)CCCCCCCCC(O)=O Amb21928890 [0,2,0,0,0,0|0,0,2]=4 582 B13R0.179 CC(CCCCCCCCC(=O)O)N Amb2229643 [0,2,0,0,0,0|0,0,2]=4 583 B13R0.202 CCC(C)CCCCCCCC(O)=O Amb21928874 [0,2,0,0,0,0|0,0,2]=4 584 B13R0.202 CCC(CCCCCCCC(=O)O)N Amb2229644 [0,2,0,0,0,0|0,0,2]=4 585 B13R0.202 COC(=O)CCCCCCCC(C)C Amb22503804 [0,2,0,0,0,0|0,0,2]=4 586 B13R0.202 OC(=O)CCCCCCCC(F)CBr Amb22547613 [0,2,0,0,0,0|0,0,2]=4 587 B13R0.2 CCCCCCCCCC(=O)OC=C Amb17672564 [0,2,0,0,0,0|0,0,2]=4 588 B13R0.2 CCOC(=O)\C=C\CCCCCCC Amb22035135 [0,2,0,0,0,0|0,0,0]=2 589 B13R0.340 CCCCCCCCC(O)C(=O)OC Amb21928816 [0,2,0,0,0,0|0,0,2]=4 590 B13R0.340 CCCCCCCOC(C(=O)OC)C Amb2445105 [0,2,0,0,0,0|1,0,1]=4 591 B13R0.61 CCCCCCCCC(CC)C(O)=O Amb18320093 [0,2,0,0,0,0|0,0,2]=4 592 B13R0.413 [2H]C([2H])(CCCCCCCC)C(O)=O Amb21928613 [0,2,0,0,0,0|0,0,2]=4 593 B11R1.24 CCCCC1CC(=O)C=CN1 Amb24590147 [1,0,0,1,0,0|2,0,0]=4 594 B11R1.24 CCCCC1CC(=O)C=CO1 Amb25145787 [1,0,0,1,0,0|2,0,0]=4 595 B11R1.24 CCCCC1CC(=O)C=CS1 Amb24416719 [1,0,0,1,0,0|2,0,0]=4 596 B11R1.24 CCCCC1CC(=O)CCC1 Amb24485994 [1,0,0,1,0,0|1,0,1]=4 597 B11R1.24 CCCCC1CC=CC(=O)C1 Amb24621497 [1,0,0,1,0,0|1,0,0]=3 598 B11R1.24 CCCCC1CCCC(=O)O1 Amb10807434 [1,0,0,1,0,0|0,0,1]=3 599 B11R1.24 CCCCC1CCNC(=O)N1 Amb24560997 [1,0,0,1,0,0|2,0,0]=4 600 B11R1.24 CCCC[C@H]1CC(=O)CCC1 Amb24722780 [1,0,0,1,0,0|1,0,1]=4 601 B11R1.24 CCCC[C@H]1CCCC(=O)N1 Amb24376413 [1,0,0,1,0,0|1,0,1]=4 602 B11R1.24 CCCC[C@H]1CCNC(=O)N1 Amb24470814 [1,0,0,1,0,0|2,0,0]=4 603 B11R1.24 OCCCC1CC=CC(=O)O1 Amb25204203 [1,0,0,1,0,0|1,0,0]=3 604 B11R1.24 OCCC[C@@H]1CC=CC(=O)O1 Amb24340466 [1,0,0,1,0,0|1,0,0]=3 605 B11R1.27 CCCCCC1C=CC(=O)O1 Amb24766300 [1,0,0,1,0,0|0,0,0]=2 606 B11R1.27 CCCCCC1CC(=O)CC1 Amb24106993 [1,0,0,1,0,0|1,0,1]=4 607 B11R1.27 CCCCCC1CCC(=O)N1 Amb17940081 [1,0,0,1,0,0|1,0,1]=4 608 B11R1.27 CCCCC[C@@H]1CCC(=O)N1 Amb25385733 [1,0,0,1,0,0|1,0,1]=4 609 B11R1.27 CCCCC[C@@H]1COC(=O)N1 Amb24765069 [1,0,0,1,0,0|2,0,0]=4 610 B11R1.27 CCCCC[C@H]1CCC(=O)O1 Amb22348365 [1,0,0,1,0,0|0,0,1]=3 611 B11R1.27 CCCCOC1C=CC(=O)O1 Amb24750668 [1,0,0,1,0,0|1,0,0]=3 612 B11R1.27 CCCC\N=C\1/C=CC(=O)O1 Amb24709107 [1,0,0,1,0,0|1,0,1]=4 613 B11R1.27 COCCSC1C=CC(=O)O1 Amb24751008 [1,0,0,1,0,0|2,0,0]=4 614 B11R1.53 CCC1CCCCC1C(C)=O Amb25097208 [1,0,0,1,0,0|1,0,1]=4 615 B11R1.53 CCC1CCCCN1C(=O)Cl Amb17563073 [1,0,0,1,0,0|2,0,0]=4 616 B11R1.53 CCC1CCNCC1C(O)=O Amb18199964 [1,0,0,1,0,0|1,0,1]=4 617 B11R1.53 CCC=1CCCCC1C(O)=O Amb18644662 [1,0,0,1,0,0|0,0,1]=3 618 B11R1.53 CCC=1OCCCC1C(O)=O Amb24528967 [1,0,0,1,0,0|1,0,1]=4 619 B11R1.53 CCN1CCCC=C1C(O)=O Amb23585374 [1,0,0,1,0,0|1,0,0]=3 620 B11R1.53 CCN1CCCCC1C(=O)O Amb10603421 [1,0,0,1,0,0|1,0,1]=4 621 B11R1.53 CC[C@@H]1CCCC[C@H]1C(C)=O Amb25232533 [1,0,0,1,0,0|1,0,1]=4 622 B11R1.53 CC[C@@H]1NCCC[C@H]1C(O)=O Amb18199984 [1,0,0,1,0,0|1,0,1]=4 623 B11R1.53 CC[C@H]1CCCCN1C(C)=O Amb25115875 [1,0,0,1,0,0|2,0,0]=4 624 B11R1.53 CC[C@H]1CCCC[C@@H]1C(O)=O Amb25258056 [1,0,0,1,0,0|0,0,1]=3 625 B11R1.53 CN[C@@H]1CCCC[C@@H]1C(O)=O Amb24519490 [1,0,0,1,0,0|1,0,1]=4 626 B11R1.53 COC1CCCCC1C(O)=O Amb18967398 [1,0,0,1,0,0|1,0,1]=4 627 B11R1.53 CO[C@@H]1CCCC[C@@H]1C(O)=O Amb24652410 [1,0,0,1,0,0|1,0,1]=4 628 B11R1.53 CSC1CCCCC1C(O)=O Amb18288578 [1,0,0,1,0,0|1,0,1]=4 629 B11R1.53 NCC1CCCCC1C(O)=O Amb18126060 [1,0,0,1,0,0|1,0,1]=4 630 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(O)=O Amb22901093 [1,0,0,1,0,0|1,0,1]=4 631 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(O)=O Amb24602383 [1,0,0,1,0,0|1,0,1]=4 632 B11R1.53 NC[C@@H]1CCCC[C@H]1C(O)=O Amb24740766 [1,0,0,1,0,0|1,0,1]=4 633 B11R1.53 OC(=O)C1CCCCC1CBr Amb18658502 [1,0,0,1,0,0|1,0,1]=4 634 B11R1.53 OC(=O)C1CCCCC1CF Amb20668097 [1,0,0,1,0,0|1,0,1]=4 635 B11R1.53 OCC1CCCCC1C(O)=O Amb24484407 [1,0,0,1,0,0|1,0,1]=4 636 B11R1.53 OC[C@@H]1CCCC[C@@H]1C(O)=O Amb24615220 [1,0,0,1,0,0|1,0,1]=4 637 B11R1.53 OC[C@H]1CCCC[C@@H]1C(O)=O Amb25326727 [1,0,0,1,0,0|1,0,1]=4 638 B11R1.53 OC[C@H]1CCCC[C@H]1C(O)=O Amb24554835 [1,0,0,1,0,0|1,0,1]=4 639 B11R1.57 CC(=O)C=C1CCCC1CC Amb25300095 [1,0,0,1,0,0|1,0,0]=3 640 B11R1.57 CCC1CCCC1=CC(O)=O Amb25296695 [1,0,0,1,0,0|0,0,0]=2 641 B11R1.57 CCC1CCCC1CC(O)=O Amb18125992 [1,0,0,1,0,0|0,0,1]=3 642 B11R1.57 CCC1CCCC1NC(C)=O Amb25225827 [1,0,0,1,0,0|2,0,0]=4 643 B11R1.57 CCC1CCCC1NC(N)=O Amb24474777 [1,0,0,1,0,0|2,0,0]=4 644 B11R1.57 CCC1CCCN1CC(O)=O Amb18971987 [1,0,0,1,0,0|1,0,1]=4 645 B11R1.57 CCC1NCCC1CC(O)=O Amb24390544 [1,0,0,1,0,0|1,0,1]=4 646 B11R1.57 CCN1CCCC1CC(=O)O Amb17504530 [1,0,0,1,0,0|1,0,1]=4 647 B11R1.57 CCN1CCCC1CC(O)=O Amb20622924 [1,0,0,1,0,0|1,0,1]=4 648 B11R1.57 CC[C@@H]1CCC[C@@H]1CC(O)=O Amb24603943 [1,0,0,1,0,0|0,0,1]=3 649 B11R1.57 CC[C@@H]1NCC[C@H]1CC(O)=O Amb18199980 [1,0,0,1,0,0|1,0,1]=4 650 B11R1.57 COC1CCCC1CC(O)=O Amb18199909 [1,0,0,1,0,0|1,0,1]=4 651 B11R1.57 NCC1CCCC1CC(O)=O Amb25311074 [1,0,0,1,0,0|1,0,1]=4 652 B11R1.57 NC[C@H]1CCC[C@H]1CC(O)=O Amb25267777 [1,0,0,1,0,0|1,0,1]=4 653 B11R1.57 OCC1CCCC1CC(O)=O Amb25694766 [1,0,0,1,0,0|1,0,1]=4 654 B11R1.86 C=C/1CCCC\C1=C\C(O)=O Amb18125426 [1,0,0,1,0,0|0,0,2]=4 655 B11R1.86 CC(=O)C=C1CCCCN1C Amb24551457 [1,0,0,1,0,0|2,0,0]=4 656 B11R1.86 CC(=O)C=C1CCCSC1C Amb24447155 [1,0,0,1,0,0|2,0,0]=4 657 B11R1.86 CC(=O)\C=C\1/CCCCC1C Amb25709867 [1,0,0,1,0,0|1,0,0]=3 658 B11R1.86 CC(=O)\C=C\1/CCCCN1C Amb25735132 [1,0,0,1,0,0|2,0,0]=4 659 B11R1.86 CC/1CCCC\C1=C/C(O)=O Amb22339342 [1,0,0,1,0,0|0,0,0]=2 660 B11R1.86 CC/1CCCC\C1=C\C(C)O Amb25730355 [1,0,0,1,0,0|1,0,1]=4 661 B11R1.86 CC/1CCCC\C1=C\C(N)=O Amb24487986 [1,0,0,1,0,0|1,0,0]=3 662 B11R1.86 CC1CCCCC1CC(O)=O Amb22339306 [1,0,0,1,0,0|0,0,1]=3 663 B11R1.86 CC1CCCCC1OC(N)=O Amb25242471 [1,0,0,1,0,0|2,0,0]=4 664 B11R1.86 CC1CCCCN1CC(O)=O Amb21955230 [1,0,0,1,0,0|1,0,1]=4 665 B11R1.86 CC1COCCC1=CC(O)=O Amb24398264 [1,0,0,1,0,0|1,0,0]=3 666 B11R1.86 CC1COCCC1CC(O)=O Amb24484704 [1,0,0,1,0,0|1,0,1]=4 667 B11R1.86 CN1CCCC[C@H]1CC(O)=O Amb25723356 [1,0,0,1,0,0|1,0,1]=4 668 B11R1.86 C[C@@H]1CCCC[C@H]1NC(C)=O Amb25256700 [1,0,0,1,0,0|2,0,0]=4 669 B11R1.86 C[C@H]1CCCC[C@H]1CC(O)=O Amb25241512 [1,0,0,1,0,0|0,0,1]=3 670 B11R1.86 NC(=O)NC1CCCCC1C Amb1105317 [1,0,0,1,0,0|2,0,0]=4 671 B11R1.86 NC1CCCCC1CC(O)=O Amb24509773 [1,0,0,1,0,0|1,0,1]=4 672 B11R1.86 NC1CCCC[C@@H]1CC(O)=O Amb24426265 [1,0,0,1,0,0|1,0,1]=4 673 B11R1.86 N[C@H]1CCCC[C@H]1CC(O)=O Amb24561031 [1,0,0,1,0,0|1,0,1]=4 674 B11R1.86 OC(=O)CC1CCCCC1F Amb24697602 [1,0,0,1,0,0|1,0,1]=4 675 B11R1.86 OC(=O)CC1CCCCN1C Amb1076959 [1,0,0,1,0,0|1,0,1]=4 676 B11R1.86 OC(=O)CC1CCCCN1C Amb13885783 [1,0,0,1,0,0|1,0,1]=4 677 B11R1.86 OC(=O)C[C@@H]1CCCC[C@H]1F Amb25168843 [1,0,0,1,0,0|1,0,1]=4 678 B11R1.86 OC(=O)\C=C/1\CCCCC1Br Amb25366048 [1,0,0,1,0,0|1,0,0]=3 679 B11R1.86 OC(=O)\C=C\1/CCCCC1=O Amb25701737 [1,0,0,1,0,0|1,0,1]=4 680 B11R1.86 OC1CCCC[C@@H]1CC(O)=O Amb25233444 [1,0,0,1,0,0|1,0,1]=4 681 B11R1.86 O[C@@H]1CCCCC1CC(O)=O Amb25792260 [1,0,0,1,0,0|1,0,1]=4 682 B11R1.86 O[C@H]1CCCC[C@@H]1CC(O)=O Amb25274080 [1,0,0,1,0,0|1,0,1]=4 683 B11R1.86 O[C@H]1CCCC[C@H]1CC(O)=O Amb25210705 [1,0,0,1,0,0|1,0,1]=4 684 B11R1.90 CC1CCCC1C#CC(O)=O Amb25779879 [1,0,0,1,0,0|0,0,2]=4 685 B11R1.90 CC1CCCC1CCC(N)=O Amb25242796 [1,0,0,1,0,0|1,0,1]=4 686 B11R1.90 CC1CCCC1CCC(O)=O Amb18644848 [1,0,0,1,0,0|0,0,1]=3 687 B11R1.90 CC1CCCC1CNC(N)=O Amb24393298 [1,0,0,1,0,0|2,0,0]=4 688 B11R1.90 CC1CCCC1NCC(O)=O Amb25713954 [1,0,0,1,0,0|1,0,1]=4 689 B11R1.90 CC1CCCN1CCC(O)=O Amb18290255 [1,0,0,1,0,0|1,0,1]=4 690 B11R1.90 C[C@@H]1CCC[C@@H]1CNC(C)=O Amb25685467 [1,0,0,1,0,0|2,0,0]=4 691 B11R1.90 C[C@@H]1CCC[C@H]1CNC(C)=O Amb25274431 [1,0,0,1,0,0|2,0,0]=4 692 B11R1.90 C[C@H]1CCC[C@@H]1CCC(N)=O Amb24552880 [1,0,0,1,0,0|1,0,1]=4 693 B11R1.90 OC(=O)CCC1CCCN1C Amb17504569 [1,0,0,1,0,0|1,0,1]=4 694 B11R1.90 OC1CCCC1CCC(O)=O Amb25828867 [1,0,0,1,0,0|1,0,1]=4 695 B11R1.90 OC1CCNC1\C=C\C(O)=O Amb25351484 [1,0,0,1,0,0|2,0,0]=4 696 B11R1.91 CC(=O)C=CN1CCCCC1 Amb24066208 [1,0,0,1,0,0|2,0,0]=4 697 B11R1.91 CC(=O)NCC1CCCCC1 Amb23166899 [1,0,0,1,0,0|2,0,0]=4 698 B11R1.91 CC(=O)OCC1CCCCC1 Amb24323616 [1,0,0,1,0,0|2,0,0]=4 699 B11R1.91 CC(=O)SCC1CCCCC1 Amb22353260 [1,0,0,1,0,0|2,0,0]=4 700 B11R1.91 CC(=O)\C=C\C1CCCCC1 Amb24625780 [1,0,0,1,0,0|1,0,0]=3 701 B11R1.91 CC(=O)\C=C\C1CCCCO1 Amb24736349 [1,0,0,1,0,0|2,0,0]=4 702 B11R1.91 CC(=O)\C=C\C1CSCCC1 Amb22264590 [1,0,0,1,0,0|2,0,0]=4 703 B11R1.91 CC(=O)\C=C\N1CCCCC1 Amb10565535 [1,0,0,1,0,0|2,0,0]=4 704 B11R1.91 C[C@@H](O)\C=C\C1CCCCC1 Amb24370035 [1,0,0,1,0,0|1,0,1]=4 705 B11R1.91 NC(=O)\C=C\C1CCCCC1 Amb24619124 [1,0,0,1,0,0|1,0,0]=3 706 B11R1.91 NC(=O)\C=C\N1CCCCC1 Amb24426051 [1,0,0,1,0,0|2,0,0]=4 707 B11R1.91 O=C(Cl)OCC1CCCCC1 Amb25140788 [1,0,0,1,0,0|2,0,0]=4 708 B11R1.91 O=C(Cl)\C=C\C1CCCCC1 Amb24447782 [1,0,0,1,0,0|1,0,0]=3 709 B11R1.91 O=C(Cl)\C=C\C1CCNCC1 Amb24392093 [1,0,0,1,0,0|2,0,0]=4 710 B11R1.91 OB(O)\C=C\C1CCCCC1 Amb19959879 [1,0,0,1,0,0|1,0,1]=4 711 B11R1.91 OC(=O)C#CC1CCCCC1 Amb21963916 [1,0,0,1,0,0|0,0,2]=4 712 B11R1.91 OC(=O)C=CC1CCOCC1 Amb17605506 [1,0,0,1,0,0|1,0,0]=3 713 B11R1.91 OC(=O)CC=C1CCCCC1 Amb18644654 [1,0,0,1,0,0|0,0,2]=4 714 B11R1.91 OC(=O)CCC1CCCCN1 Amb1102729 [1,0,0,1,0,0|1,0,1]=4 715 B11R1.91 OC(=O)CCC1CCCCO1 Amb17506864 [1,0,0,1,0,0|1,0,1]=4 716 B11R1.91 OC(=O)CCC1CCCNC1 Amb10576190 [1,0,0,1,0,0|1,0,1]=4 717 B11R1.91 OC(=O)CCC1CCCNC1 Amb1101056 [1,0,0,1,0,0|1,0,1]=4 718 B11R1.91 OC(=O)CCC1CCNCC1 Amb10609864 [1,0,0,1,0,0|1,0,1]=4 719 B11R1.91 OC(=O)CCC1CCNCC1 Amb10609915 [1,0,0,1,0,0|1,0,1]=4 720 B11R1.91 OC(=O)CCC1CCOCC1 Amb18990337 [1,0,0,1,0,0|1,0,1]=4 721 B11R1.91 OC(=O)CCC1CCSCC1 Amb18197511 [1,0,0,1,0,0|1,0,1]=4 722 B11R1.91 OC(=O)CCC1COCCC1 Amb18199907 [1,0,0,1,0,0|1,0,1]=4 723 B11R1.91 OC(=O)CCC1CSCCC1 Amb18825218 [1,0,0,1,0,0|1,0,1]=4 724 B11R1.91 OC(=O)CCN1CCCCC1 Amb10609748 [1,0,0,1,0,0|1,0,1]=4 725 B11R1.91 OC(=O)CC[S+]1CCCCC1 Amb25706418 [1,0,0,1,0,0|1,0,1]=4 726 B11R1.91 OC(=O)CNC1CCCCC1 Amb19263851 [1,0,0,1,0,0|1,0,1]=4 727 B11R1.91 OC(=O)\C=C/C1CCCC=C1 Amb25258354 [1,0,0,1,0,0|0,0,2]=4 728 B11R1.91 OC(=O)\C=C/C1CCCCO1 Amb24552900 [1,0,0,1,0,0|1,0,0]=3 729 B11R1.91 OC(=O)\C=C/C1SCCCS1 Amb25189151 [1,0,0,1,0,0|2,0,0]=4 730 B11R1.91 OC(=O)\C=C\C1CCCCC1 Amb18960079 [1,0,0,1,0,0|0,0,0]=2 731 B11R1.91 OC(=O)\C=C\C1CCCCN1 Amb24622863 [1,0,0,1,0,0|1,0,0]=3 732 B11R1.91 OC(=O)\C=C\C1CCCCO1 Amb24677693 [1,0,0,1,0,0|1,0,0]=3 733 B11R1.91 OC(=O)\C=C\C1CCNCC1 Amb24580436 [1,0,0,1,0,0|1,0,0]=3 734 B11R1.91 OC(=O)\C=C\C1CCOCC1 Amb18961299 [1,0,0,1,0,0|1,0,0]=3 735 B11R1.91 OC(=O)\C=C\C1COCCC1 Amb24716636 [1,0,0,1,0,0|1,0,0]=3 736 B11R1.91 OC(=O)\C=C\C1CSCCC1 Amb24614944 [1,0,0,1,0,0|1,0,0]=3 737 B11R1.91 OC(=O)\C=C\C1SCCCS1 Amb24738958 [1,0,0,1,0,0|2,0,0]=4 738 B11R1.91 OC(=O)\C=C\C=1CCCCC1 Amb24670201 [1,0,0,1,0,0|0,0,2]=4 739 B11R1.91 OC(=O)\C=C\[C@@H]1CC=CCC1 Amb24623648 [1,0,0,1,0,0|0,0,2]=4 740 B11R1.91 [O-][N+](=O)C=CC1CCCCC1 Amb18181954 [1,0,0,1,0,0|1,0,1]=4 741 B11R1.101 O=C1NCCCCCCCO1 Amb24443710 [1,0,0,1,0,0|1,0,0]=3 742 B11R1.102 CC1CC1CN\C=C\C(O)=O Amb25805760 [1,0,0,1,0,0|1,0,0]=3 743 B11R1.102 CC1OC1CC\C=C\C(C)=O Amb24764992 [1,0,0,1,0,0|2,0,0]=4 744 B11R1.102 C[C@@H]1O[C@H]1CC\C=C\C(C)=O Amb24766806 [1,0,0,1,0,0|2,0,0]=4 745 B11R1.107 C[C@H]1CC(=O)CCCCCC1 Amb25059721 [1,0,0,1,0,0|1,0,1]=4 746 B11R1.110 CCCC1CC(=O)CCCC1 Amb25090747 [1,0,0,1,0,0|1,0,1]=4 747 B11R1.110 CCCC1CC(=O)NCCC1 Amb24484588 [1,0,0,1,0,0|2,0,0]=4 748 B11R1.110 CCCC1CCCCC(=O)N1 Amb2229640 [1,0,0,1,0,0|1,0,1]=4 749 B11R1.143 CC1CCCCCC1C(O)=O Amb25361762 [1,0,0,1,0,0|0,0,1]=3 750 B11R1.143 CC1CCCCCN1C(C)=O Amb25323036 [1,0,0,1,0,0|2,0,0]=4 751 B11R1.143 C[C@@H]1NCCCC[C@H]1C(O)=O Amb18199981 [1,0,0,1,0,0|1,0,1]=4 752 B11R1.143 NC=1CCCCCC1C(O)=O Amb24620224 [1,0,0,1,0,0|1,0,1]=4 753 B11R1.143 OC(=O)C1CCCCCC1S Amb18949212 [1,0,0,1,0,0|1,0,1]=4 754 B11R1.143 OC(=O)C=1CCCCCC1Br Amb25790609 [1,0,0,1,0,0|1,0,1]=4 755 B11R1.143 OC(=O)[C@@H]1CCCCC[C@@H]1N Amb1993850 [1,0,0,1,0,0|1,0,1]=4 756 B11R1.143 OC(=O)[C@@H]1CCCCC[C@@H]1N Amb1994003 [1,0,0,1,0,0|1,0,1]=4 757 B11R1.143 OC(=O)[C@H]1CCCCC[C@H]1N Amb1993851 [1,0,0,1,0,0|1,0,1]=4 758 B11R1.143 OC(=O)[C@H]1CCCCC[C@H]1N Amb1994004 [1,0,0,1,0,0|1,0,1]=4 759 B11R1.143 OC1CCCCCC1C(O)=O Amb18280963 [1,0,0,1,0,0|1,0,1]=4 760 B11R1.161 CC/1CC\C1=C/C=CC(O)=O Amb25345392 [1,0,0,1,0,0|0,0,2]=4 761 B11R1.161 CC1CCC1N\C=C\C(O)=O Amb24725806 [1,0,0,1,0,0|1,0,0]=3 762 B11R1.161 CC1CCN1CCCC(O)=O Amb24761790 [1,0,0,1,0,0|1,0,1]=4 763 B11R1.161 CN1CCC1CCCC(O)=O Amb25385623 [1,0,0,1,0,0|1,0,1]=4 764 B11R1.172 NC(=O)CCCC1CCCC1 Amb24766123 [1,0,0,1,0,0|1,0,1]=4 765 B11R1.172 NC(=O)NCCC1CCCC1 Amb18182107 [1,0,0,1,0,0|2,0,0]=4 766 B11R1.172 O=C(Cl)CCCC1CCCC1 Amb25383947 [1,0,0,1,0,0|1,0,1]=4 767 B11R1.172 O=C(Cl)\C=C\CN1CCCC1 Amb20247007 [1,0,0,1,0,0|2,0,0]=4 768 B11R1.172 OB(O)\C=C\CC1CCCC1 Amb22491038 [1,0,0,1,0,0|1,0,1]=4 769 B11R1.172 OC(=O)CCCC1CCCC1 Amb19149142 [1,0,0,1,0,0|0,0,1]=3 770 B11R1.172 OC(=O)CCCC1CCCN1 Amb18199969 [1,0,0,1,0,0|1,0,1]=4 771 B11R1.172 OC(=O)CCCC1CNCC1 Amb25384946 [1,0,0,1,0,0|1,0,1]=4 772 B11R1.172 OC(=O)CCCC1COCC1 Amb24755490 [1,0,0,1,0,0|1,0,1]=4 773 B11R1.172 OC(=O)CCCN1CCCC1 Amb10609669 [1,0,0,1,0,0|1,0,1]=4 774 B11R1.172 OC(=O)CCC[C@@H]1CCCN1 Amb25385183 [1,0,0,1,0,0|1,0,1]=4 775 B11R1.172 OC(=O)CCNC1CCCC1 Amb1109669 [1,0,0,1,0,0|1,0,1]=4 776 B11R1.172 OC(=O)CCNC1CCCC1 Amb13951292 [1,0,0,1,0,0|1,0,1]=4 777 B11R1.172 OC(=O)COCC1CCCC1 Amb21963936 [1,0,0,1,0,0|1,0,1]=4 778 B11R1.172 OC(=O)CSCC1CCCC1 Amb18790439 [1,0,0,1,0,0|1,0,1]=4 779 B11R1.172 OC(=O)C\C=C\C1CCCC1 Amb24473377 [1,0,0,1,0,0|0,0,2]=4 780 B11R1.172 OC(=O)\C=C/C=C1CCCC1 Amb25831109 [1,0,0,1,0,0|0,0,2]=4 781 B11R1.172 OC(=O)\C=C\CN1CCCC1 Amb18296129 [1,0,0,1,0,0|1,0,0]=3 782 B11R1.172 OC(=O)\C=C\NC1CCCC1 Amb25149498 [1,0,0,1,0,0|1,0,0]=3 783 B11R1.172 OC(=O)\C=C\NC1CSCC1 Amb25342816 [1,0,0,1,0,0|2,0,0]=4 784 B11R1.172 OC(=O)\C=C\SC1CCCC1 Amb25063967 [1,0,0,1,0,0|1,0,0]=3 785 B11R1.174 OC(=O)\C=C\C=CC1CCC1 Amb25338820 [1,0,0,1,0,0|0,0,2]=4 786 B11R1.174 OC(=O)\C=C\COC1CCC1 Amb19020651 [1,0,0,1,0,0|1,0,0]=3 787 B11R1.193 CC(=O)C1=CCCC1CCC Amb24356901 [1,0,0,1,0,0|1,0,0]=3 788 B11R1.193 CCCC1CCCC1C(O)=O Amb18644850 [1,0,0,1,0,0|0,0,1]=3 789 B11R1.193 CCCC1CCCN1C(C)=O Amb25366436 [1,0,0,1,0,0|2,0,0]=4 790 B11R1.193 CCCC1CCNC1C(O)=O Amb25241187 [1,0,0,1,0,0|1,0,1]=4 791 B11R1.193 CCCC1NCCC1C(O)=O Amb18118098 [1,0,0,1,0,0|1,0,1]=4 792 B11R1.193 CCCC1OCCC1C(O)=O Amb25073122 [1,0,0,1,0,0|1,0,1]=4 793 B11R1.193 CCCN1CCCC1C(=O)O Amb1110656 [1,0,0,1,0,0|1,0,1]=4 794 B11R1.193 CCC[C@@H]1CCC[C@H]1C(O)=O Amb24726338 [1,0,0,1,0,0|0,0,1]=3 795 B11R1.193 CCC[C@@H]1CCN[C@@H]1C(O)=O Amb24670482 [1,0,0,1,0,0|1,0,1]=4 796 B11R1.193 CCC[C@H]1CCN[C@@H]1C(O)=O Amb25198748 [1,0,0,1,0,0|1,0,1]=4 797 B11R1.193 CCNC1CCCC1C(O)=O Amb24509259 [1,0,0,1,0,0|1,0,1]=4 798 B11R1.193 CCOC=1CCCC1C(O)=O Amb24487805 [1,0,0,1,0,0|1,0,1]=4 799 B11R1.193 CCO[C@@H]1CCC[C@H]1C(O)=O Amb25322175 [1,0,0,1,0,0|1,0,1]=4 800 B11R1.193 CCSC1CCCC1C(O)=O Amb18303074 [1,0,0,1,0,0|1,0,1]=4 801 B11R1.193 CCSC=1CCCC1C(O)=O Amb24634149 [1,0,0,1,0,0|1,0,1]=4 802 B11R1.193 CNC[C@@H]1CCC[C@@H]1C(O)=O Amb24591293 [1,0,0,1,0,0|1,0,1]=4 803 B11R1.193 COCC1CCCC1C(O)=O Amb25200900 [1,0,0,1,0,0|1,0,1]=4 804 B11R1.193 COCC=1CCCC1C(O)=O Amb18125946 [1,0,0,1,0,0|1,0,1]=4 805 B11R1.193 COC[C@@H]1CCC[C@H]1C(O)=O Amb25061611 [1,0,0,1,0,0|1,0,1]=4 806 B11R1.193 COC[C@H]1CCC[C@H]1C(O)=O Amb25295380 [1,0,0,1,0,0|1,0,1]=4 807 B11R1.204 CCCCC1CCC1C(O)=O Amb24762099 [1,0,0,1,0,0|0,0,1]=3 808 B11R1.204 CCCCC1CNC1C(O)=O Amb25385838 [1,0,0,1,0,0|1,0,1]=4 809 B11R1.204 CCCCN1CCC1C(O)=O Amb25385844 [1,0,0,1,0,0|1,0,1]=4 810 B11R1.204 CCCCN1CC[C@@H]1C(O)=O Amb25383066 [1,0,0,1,0,0|1,0,1]=4 811 B11R1.204 CCCCN1CC[C@H]1C(O)=O Amb25383032 [1,0,0,1,0,0|1,0,1]=4 812 B11R1.204 CCCNC1CCC1C(O)=O Amb25381540 [1,0,0,1,0,0|1,0,1]=4 813 B11R1.204 CCOCC1CCC1C(O)=O Amb24762100 [1,0,0,1,0,0|1,0,1]=4 814 B11R1.241 CC[C@@H]1O[C@@H]1C\C=C/C(C)=O Amb24766810 [1,0,0,1,0,0|2,0,0]=4 815 B11R1.241 CC[C@@H]1O[C@H]1C\C=C/C(C)=O Amb24766811 [1,0,0,1,0,0|2,0,0]=4 816 B11R1.241 CC[C@H]1O[C@H]1C\C=C/C(C)=O Amb24766812 [1,0,0,1,0,0|2,0,0]=4 817 B11R1.245 CCC1CC(=O)CCCCC1 Amb25151478 [1,0,0,1,0,0|1,0,1]=4 818 B11R1.245 CCC1CC(=O)NCCCC1 Amb24486135 [1,0,0,1,0,0|2,0,0]=4 819 B11R1.245 CCC1CCCCCC(=O)N1 Amb25313080 [1,0,0,1,0,0|1,0,1]=4 820 B11R1.245 CC[C@@H]1CC(=O)CCCCC1 Amb25334919 [1,0,0,1,0,0|1,0,1]=4 821 B11R1.245 COC1CC(=O)C=CCCC1 Amb24486280 [1,0,0,1,0,0|2,0,0]=4 822 B11R1.706 CC(=O)C1CCCCCCC1 Amb25327542 [1,0,0,1,0,0|1,0,1]=4 823 B11R1.706 CC(=O)N1CCCCCCC1 Amb2125335 [1,0,0,1,0,0|2,0,0]=4 824 B11R1.706 CC(C)=C1CCCCCCC1 Amb22356359 [1,0,0,1,0,0|2,0,0]=4 825 B11R1.706 CC(O)C=1CCCCCCC1 Amb24705027 [1,0,0,1,0,0|1,0,1]=4 826 B11R1.706 NC(=O)C1CCCCCCC1 Amb24407703 [1,0,0,1,0,0|1,0,1]=4 827 B11R1.706 NC(=O)C=1CCCCCCC1 Amb25258002 [1,0,0,1,0,0|1,0,0]=3 828 B11R1.706 O=C(Cl)C1CCCCCCC1 Amb25760237 [1,0,0,1,0,0|1,0,1]=4 829 B11R1.706 OC(=O)C1CCCCCCC1 Amb18278612 [1,0,0,1,0,0|0,0,1]=3 830 B11R1.706 OC(=O)C=1CCCCCCC1 Amb25760819 [1,0,0,1,0,0|0,0,0]=2 831 B11R1.742 BrC(Br)=CC1CCCCCC1 Amb24752281 [1,0,0,1,0,0|2,0,0]=4 832 B11R1.742 CC(=O)CC1CCCCCC1 Amb25094261 [1,0,0,1,0,0|1,0,1]=4 833 B11R1.742 CC(O)C=C1CCCCCC1 Amb24487002 [1,0,0,1,0,0|1,0,1]=4 834 B11R1.742 NC(=O)C=C1CCCCCC1 Amb25733352 [1,0,0,1,0,0|1,0,0]=3 835 B11R1.742 NC(=O)CC1CCCCCC1 Amb24487974 [1,0,0,1,0,0|1,0,1]=4 836 B11R1.742 O=C(Cl)CC1CCCCCC1 Amb25224919 [1,0,0,1,0,0|1,0,1]=4 837 B11R1.742 O=C(F)NC1CCCCCC1 Amb25268800 [1,0,0,1,0,0|2,0,0]=4 838 B11R1.742 OC(=O)CC1CCCCCN1 Amb18199972 [1,0,0,1,0,0|1,0,1]=4 839 B11R1.742 OC(=O)CC1CCCNCC1 Amb18199994 [1,0,0,1,0,0|1,0,1]=4 840 B11R1.742 OC(=O)CC1CCCOCC1 Amb18199912 [1,0,0,1,0,0|1,0,1]=4 841 B11R1.742 OC(=O)CC1CCCSCC1 Amb18197457 [1,0,0,1,0,0|1,0,1]=4 842 B11R1.742 OC(=O)CC1CNCCCC1 Amb18199974 [1,0,0,1,0,0|1,0,1]=4 843 B11R1.742 OC(=O)CC=1CCCCCC1 Amb24487852 [1,0,0,1,0,0|0,0,2]=4 844 B11R1.742 OC(=O)CN1CCCCCC1 Amb2536986 [1,0,0,1,0,0|1,0,1]=4 845 B11R1.4 CCCCCCc1ccco1 Amb22043562 [1,0,0,1,0,0|0,0,1]=3 846 B11R1.4 CCCCNCc1ccco1 Amb1140392 [1,0,0,1,0,0|1,0,1]=4 847 B11R1.4 CCCCOCc1ccco1 Amb24054478 [1,0,0,1,0,0|1,0,1]=4 848 B11R1.4 O=C\C=C\C=C\C1CCCC1 Amb25834404 [1,0,0,1,0,0|0,0,2]=4 849 B11R1.4 O=C\C=C\CCC1OCCO1 Amb24513056 [1,0,0,1,0,0|2,0,0]=4 850 B11R1.5 C=C\C=C\1/CCCCCC1O Amb25234350 [1,0,0,1,0,0|2,0,0]=4 851 B11R1.5 CC1CCCCCC1=CCO Amb25725438 [1,0,0,1,0,0|0,0,1]=3 852 B11R1.5 CC1CCCCCC1NC=O Amb25241392 [1,0,0,1,0,0|1,0,1]=4 853 B11R1.5 CCCC1CCCCCC1=O Amb18796794 [1,0,0,1,0,0|0,0,2]=4 854 B11R1.5 CCCC1CCCCNC1=O Amb2229639 [1,0,0,1,0,0|1,0,1]=4 855 B11R1.5 O=CCC1CCCC=CC1=O Amb24486069 [1,0,0,1,0,0|1,0,1]=4 856 B11R1.5 OCCN1CCCC=CC1=O Amb24474161 [1,0,0,1,0,0|2,0,0]=4 857 B11R1.17 C#CCCC1CCC=CC1=O Amb25134073 [1,0,0,1,0,0|0,0,2]=4 858 B11R1.17 C=C1CCCCC1\C=C\C=O Amb24369650 [1,0,0,1,0,0|0,0,2]=4 859 B11R1.17 C=CCCC1CCC=CC1=O Amb25059582 [1,0,0,1,0,0|0,0,2]=4 860 B11R1.17 CC1C=CCCC1\C=C\C=O Amb25327801 [1,0,0,1,0,0|0,0,2]=4 861 B11R1.17 CC1CCCCC1CNC=O Amb24487690 [1,0,0,1,0,0|1,0,1]=4 862 B11R1.17 CC1CCCCC1OCC=O Amb18183071 [1,0,0,1,0,0|1,0,1]=4 863 B11R1.17 CC1CCCCC1\C=C\C#N Amb25374473 [1,0,0,1,0,0|1,0,1]=4 864 B11R1.17 CC1CCCCC1\C=C\C=O Amb24513220 [1,0,0,1,0,0|0,0,0]=2 865 B11R1.17 CCCC[C@@H]1CCCNC1=O Amb24509566 [1,0,0,1,0,0|1,0,1]=4 866 B11R1.17 CCCC[C@H]1CCCCC1=O Amb24725293 [1,0,0,1,0,0|0,0,2]=4 867 B11R1.18 C=CC1CCCC1\C=C\C=O Amb24724054 [1,0,0,1,0,0|0,0,2]=4 868 B11R1.18 CCC1CCC=C1C=CC=O Amb24628975 [1,0,0,1,0,0|0,0,2]=4 869 B11R1.18 CCC1CCC=C1\C=C\C=O Amb24484724 [1,0,0,1,0,0|0,0,2]=4 870 B11R1.26 C=CC1=CCCCCCC1O Amb24353083 [1,0,0,1,0,0|2,0,0]=4 871 B11R1.26 CC=1CCCCCCC1C=O Amb24435308 [1,0,0,1,0,0|0,0,2]=4 872 B11R1.26 CCC1CCCCCNC1=O Amb24757672 [1,0,0,1,0,0|1,0,1]=4 873 B11R1.28 BrC\C=C\CC1CCCCC1 Amb24670041 [1,0,0,1,0,0|1,0,1]=4 874 B11R1.28 CCCNCC1CCC=CO1 Amb18183022 [1,0,0,1,0,0|1,0,1]=4 875 B11R1.28 C\C=C\C=C/C1CCCCC1 Amb22546610 [1,0,0,1,0,0|1,0,1]=4 876 B11R1.28 C\C=C\C=N\C1CCCCC1 Amb24452526 [1,0,0,1,0,0|2,0,0]=4 877 B11R1.28 ClC\C=C\CC1CCCCC1 Amb25724984 [1,0,0,1,0,0|1,0,1]=4 878 B11R1.28 Cl\C=C\C=C/C1CCCCC1 Amb25361962 [1,0,0,1,0,0|1,0,1]=4 879 B11R1.28 Cl\C=C\C=CC1CCCCC1 Amb25179242 [1,0,0,1,0,0|1,0,1]=4 880 B11R1.28 O=CC=C=CC1CCCCC1 Amb25821411 [1,0,0,1,0,0|0,0,2]=4 881 B11R1.28 O=CCOCC1CCCCC1 Amb18797001 [1,0,0,1,0,0|1,0,1]=4 882 B11R1.28 O=CC\C=C\C1CCCCC1 Amb25240047 [1,0,0,1,0,0|0,0,2]=4 883 B11R1.28 O=C\C=C/C=C1CCCCC1 Amb25325958 [1,0,0,1,0,0|0,0,2]=4 884 B11R1.28 O=C\C=C/SC1CCCCC1 Amb25081076 [1,0,0,1,0,0|1,0,0]=3 885 B11R1.28 O=C\C=C\C=C1CCCCC1 Amb18125172 [1,0,0,1,0,0|0,0,2]=4 886 B11R1.28 O=C\C=C\CC1CCCCC1 Amb24513205 [1,0,0,1,0,0|0,0,0]=2 887 B11R1.28 O=C\C=C\CC1CCCCO1 Amb24577763 [1,0,0,1,0,0|1,0,0]=3 888 B11R1.28 O=C\C=C\CC=1CCCCC1 Amb24486119 [1,0,0,1,0,0|0,0,2]=4 889 B11R1.28 O=C\C=C\NC1CCCCC1 Amb25294301 [1,0,0,1,0,0|1,0,0]=3 890 B11R1.28 O=C\C=C\SC1CCCCC1 Amb25784577 [1,0,0,1,0,0|1,0,0]=3 891 B11R1.28 OC\C=C\CC1CCCCC1 Amb25048372 [1,0,0,1,0,0|0,0,1]=3 892 B11R1.41 C=C\C=C\1/CCCCC1CO Amb24703060 [1,0,0,1,0,0|2,0,0]=4 893 B11R1.41 CCC1CCCCC1=CCN Amb24486044 [1,0,0,1,0,0|1,0,1]=4 894 B11R1.41 CCC1CCCCC1C=NO Amb25197569 [1,0,0,1,0,0|1,0,1]=4 895 B11R1.41 CCC1CCCCC1CC=O Amb25196472 [1,0,0,1,0,0|0,0,2]=4 896 B11R1.41 CCC1CCCCC1NC=O Amb25117142 [1,0,0,1,0,0|1,0,1]=4 897 B11R1.41 CCC1CCCCN1CC=O Amb18799608 [1,0,0,1,0,0|1,0,1]=4 898 B11R1.41 CCCC1CCCCN1C=O Amb24523123 [1,0,0,1,0,0|1,0,1]=4 899 B11R1.41 CO[C@H]/1CCCC\C1=C/C=O Amb24612660 [1,0,0,1,0,0|1,0,0]=3 900 B11R1.41 O=CCC1CCCC=C1C=O Amb18125437 [1,0,0,1,0,0|1,0,1]=4 901 B11R1.51 CCC1CCCCCN1C=O Amb24684550 [1,0,0,1,0,0|1,0,1]=4 902 B11R1.85 CC1CCCCCCCC1=O Amb25712223 [1,0,0,1,0,0|0,0,2]=4 903 B11R1.85 CC1CCCCCCNC1=O Amb25287543 [1,0,0,1,0,0|1,0,1]=4 904 B11R1.117 BrCC=C1CCCCCCC1 Amb25683437 [1,0,0,1,0,0|1,0,1]=4 905 B11R1.117 O=CC=C1CCCCCCC1 Amb25040035 [1,0,0,1,0,0|0,0,0]=2 906 B11R1.117 O=CCC1CCCCCCC1 Amb24382615 [1,0,0,1,0,0|0,0,2]=4 907 B11R1.117 O=CCC=1CCCCCCC1 Amb25236943 [1,0,0,1,0,0|0,0,2]=4 908 B11R1.117 O=CCN1CCCCCCC1 Amb18183003 [1,0,0,1,0,0|1,0,1]=4 909 B11R1.117 O=C\C=C/1\CCCCCC=C1 Amb24512390 [1,0,0,1,0,0|0,0,2]=4 910 B11R1.117 OCC=C1CCCCCCC1 Amb24687945 [1,0,0,1,0,0|0,0,1]=3 911 B11R1.117 ON=CC1CCCCCCC1 Amb24674392 [1,0,0,1,0,0|1,0,1]=4 912 B11R1.180 CCCCCC1CC=CC1=O Amb17843926 [1,0,0,1,0,0|0,0,0]=2 913 B11R1.180 CCCCCC1CSCC1=O Amb24755633 [1,0,0,1,0,0|1,0,1]=4 914 B11R1.180 CCCCC[C@@H]1CCCC1=O Amb24766745 [1,0,0,1,0,0|0,0,2]=4 915 B11R1.180 CCCCC[C@H]1CCCC1=O Amb24766930 [1,0,0,1,0,0|0,0,2]=4 916 B11R1.180 O=CCCCC1CC=CC1=O Amb25384543 [1,0,0,1,0,0|1,0,1]=4 917 B11R1.180 OCCCCC1CC=CC1=O Amb24766863 [1,0,0,1,0,0|1,0,0]=3 918 B11R1.203 BrC\C=C\C1CCCCCC1 Amb25736780 [1,0,0,1,0,0|1,0,1]=4 919 B11R1.203 O=CCOC1CCCCCC1 Amb18183074 [1,0,0,1,0,0|1,0,1]=4 920 B11R1.203 O=C\C=C\C1CCCCCC1 Amb25149219 [1,0,0,1,0,0|0,0,0]=2 921 B11R1.203 OCCCC1CCC=CC=C1 Amb25058570 [1,0,0,1,0,0|2,0,0]=4 922 B11R1.216 C\C=C\CC1CC1\C=C\C=O Amb25385860 [1,0,0,1,0,0|0,0,2]=4 923 B11R1.248 N#CC=1CCCCCCCC1 Amb25335505 [1,0,0,1,0,0|1,0,1]=4 924 B11R1.248 O=CC=1CCCCCCCC1 Amb25172766 [1,0,0,1,0,0|0,0,0]=2 925 B11R1.248 O\N=C/1\CCCCCCCN1 Amb25696019 [1,0,0,1,0,0|2,0,0]=4 926 B13R1.27 CCCCCCCC1CCC(=O)O1 Amb1154110 [0,1,0,1,0,0|0,0,2]=4 927 B13R1.27 CCCCCCC[n]1ccc(N)[n]1 Amb18181455 [0,1,0,1,0,0|2,0,0]=4 928 B13R1.55 CC1C=C(C)CC(CCCCC)O1 Amb24097444 [0,1,0,1,0,0|1,0,1]=4 929 B13R1.55 CC=1CC(CC(=O)C1)CCCCC Amb20621710 [0,1,0,1,0,0|1,0,0]=3 930 B13R1.55 CCCCCC1CC(=O)C=C(O)C1 Amb21962886 [0,1,0,1,0,0|1,0,0]=3 931 B13R1.55 CCCCCC1CC(=O)CC(=O)C1 Amb22230019 [0,1,0,1,0,0|1,0,1]=4 932 B13R1.55 CCCCCC1CC(O)CC(=O)O1 Amb10549438 [0,1,0,1,0,0|0,0,2]=4 933 B13R1.55 CCCCCC1NC(=NC(=O)C1)O Amb2447834 [0,1,0,1,0,0|2,0,0]=4 934 B13R1.88 CCC1CCCCC1(N)CC(O)=O Amb24415698 [0,1,0,1,0,0|0,0,2]=4 935 B13R1.190 CC1CC(=O)OC1CCCCCC Amb22001856 [0,1,0,1,0,0|0,0,2]=4 936 B13R1.201 CC1CCCCC1N(C)CC(O)=O Amb18984568 [0,1,0,1,0,0|1,0,1]=4 937 B13R1.201 CC1CCCCN1C(=O)CC(O)=O Amb18284943 [0,1,0,1,0,0|1,0,1]=4 938 B13R1.348 CC(=CC(N)=O)NC1CCCCC1 Amb24749324 [0,1,0,1,0,0|2,0,0]=4 939 B13R1.348 CC(=O)NC(=O)CC1CCCCC1 Amb25825199 [0,1,0,1,0,0|2,0,0]=4 940 B13R1.348 CC(C)=CC(=O)CC1CCCCC1 Amb24430348 [0,1,0,1,0,0|2,0,0]=4 941 B13R1.348 CC(CN1CCOCC1)=CC(O)=O Amb25234498 [0,1,0,1,0,0|2,0,0]=4 942 B13R1.348 C\C(=C\C(C)=O)\NC1CCCCC1 Amb25744188 [0,1,0,1,0,0|2,0,0]=4 943 B13R1.348 NC(CC1CCCCC1)CC(O)=O Amb18822383 [0,1,0,1,0,0|0,0,2]=4 944 B13R1.348 O=C(CC(=O)O)NC1CCCCC1 Amb17401050 [0,1,0,1,0,0|1,0,1]=4 945 B13R1.373 CCCC1CC(CCO1)=CC(O)=O Amb24732337 [0,1,0,1,0,0|1,0,0]=3 946 B13R1.373 CCOC1=C\C(=C\C(=O)O)\CCC1 Amb17594686 [0,1,0,1,0,0|1,0,1]=4 947 B13R1.593 NC(=O)NC(=O)CCC1CCCC1 Amb24757253 [0,1,0,1,0,0|2,0,0]=4 948 B13R1.775 CC1CCCCCC(O)CC(=O)O1 Amb24672622 [0,1,0,1,0,0|0,0,2]=4 949 B13R1.775 C[C@@H]1CCCCCC(O)CC(=O)O1 Amb24618805 [0,1,0,1,0,0|0,0,2]=4 950 B13R1.775 C[C@@H]1CCCCC[C@@H](O)CC(=O)O1 Amb25302252 [0,1,0,1,0,0|0,0,2]=4 951 B13R1.775 C[C@@H]1CCCCC[C@H](O)CC(=O)O1 Amb24617262 [0,1,0,1,0,0|0,0,2]=4 952 B13R1.775 C[C@H]1CCCCCC(O)CC(=O)O1 Amb25306486 [0,1,0,1,0,0|0,0,2]=4 953 B13R1.1107 CC(=O)NC=1CCCCCCCC1 Amb24619209 [0,1,0,1,0,0|1,0,0]=3 954 B13R1.1107 OC(=O)CC1CCCCCCCC1 Amb25279551 [0,1,0,1,0,0|0,0,2]=4 955 B13R1.1107 OC(=O)CN1CCCCCCCC1 Amb25169064 [0,1,0,1,0,0|0,0,2]=4 956 B13R1.2020 NC1(CC(O)=O)CCCCCCC1 Amb22641941 [0,1,0,1,0,0|0,0,2]=4 957 B13R1.3816 CN1CCCCCCCC1C(O)=O Amb25365310 [0,1,0,1,0,0|0,0,2]=4 958 B13R1.3816 NC1CCCCCCCC1C(O)=O Amb24436959 [0,1,0,1,0,0|0,0,2]=4 959 B13R1.7456 CC(C)=CC(=O)C1CCCCCC1 Amb25773598 [0,1,0,1,0,0|2,0,0]=4 960 B13R1.7456 CC(CC(O)=O)C1CCCCCC1 Amb18191560 [0,1,0,1,0,0|0,0,2]=4 961 B13R1.7456 N[C@H](CC(O)=O)C1CCCCCC1 Amb25266526 [0,1,0,1,0,0|0,0,2]=4 962 B13R1.7456 O=C(N1CCCCCC1)CC(=O)O Amb17401052 [0,1,0,1,0,0|1,0,1]=4 963 B13R1.7456 OC(=O)CS(=O)C1CCCCCC1 Amb24715054 [0,1,0,1,0,0|1,0,1]=4 964 B13R1.128 CC1CCC(\C=C\C=CC(O)=O)O1 Amb24410039 [0,1,0,1,0,0|0,0,2]=4 965 B13R1.128 OC1CCC(C1)CN\C=C\C(O)=O Amb24442686 [0,1,0,1,0,0|1,0,0]=3 966 B13R1.158 CC1CCCCC1C=NNC(C)=O Amb25317060 [0,1,0,1,0,0|2,0,0]=4 967 B13R1.158 CC1CCCCC1C=NNC(N)=O Amb25775011 [0,1,0,1,0,0|2,0,0]=4 968 B13R1.158 CC1CCCCN1C\C=C\C(O)=O Amb18296429 [0,1,0,1,0,0|0,0,0]=2 969 B13R1.158 CC1COCCN1C\C=C\C(O)=O Amb18988790 [0,1,0,1,0,0|1,0,0]=3 970 B13R1.158 CC1CSCCN1C\C=C\C(O)=O Amb25275968 [0,1,0,1,0,0|1,0,0]=3 971 B13R1.158 CC=1CCCCC1\C=C\CC(O)=O Amb25363247 [0,1,0,1,0,0|0,0,2]=4 972 B13R1.158 CN1CCCCC1CNCC(O)=O Amb18313080 [0,1,0,1,0,0|1,0,1]=4 973 B13R1.158 C[C@@H]1CCCC[C@@H]1C=NNC(N)=O Amb25299337 [0,1,0,1,0,0|2,0,0]=4 974 B13R1.158 OC(=O)\C=C\CN1CCCCC1=O Amb18988779 [0,1,0,1,0,0|1,0,1]=4 975 B13R1.158 OC1CCCCC1N\C=C\C(O)=O Amb24533695 [0,1,0,1,0,0|1,0,0]=3 976 B13R1.337 CC(=O)O\C=C/NC1CCCCC1 Amb24667314 [0,1,0,1,0,0|2,0,0]=4 977 B13R1.337 CC(=O)\C=C\C#CC1CCCCC1 Amb25192196 [0,1,0,1,0,0|1,0,1]=4 978 B13R1.337 NC(=O)NN=CCC1CCCCC1 Amb25257424 [0,1,0,1,0,0|2,0,0]=4 979 B13R1.337 OC(=O)CCCCC1CCCCC1 Amb22336378 [0,1,0,1,0,0|0,0,2]=4 980 B13R1.337 OC(=O)CCCCN1CCCCC1 Amb19373622 [0,1,0,1,0,0|0,0,2]=4 981 B13R1.337 OC(=O)COCCC1CCCCN1 Amb18628209 [0,1,0,1,0,0|1,0,1]=4 982 B13R1.337 OC(=O)\C=C\C#CC1CCCCC1 Amb24711214 [0,1,0,1,0,0|0,0,1]=3 983 B13R1.337 OC(=O)\C=C\C=CC1CCCCN1 Amb25200812 [0,1,0,1,0,0|0,0,2]=4 984 B13R1.337 OC(=O)\C=C\C=CC1CCNCC1 Amb24571720 [0,1,0,1,0,0|0,0,2]=4 985 B13R1.337 OC(=O)\C=C\C=CC1CCOCC1 Amb25704076 [0,1,0,1,0,0|0,0,2]=4 986 B13R1.337 OC(=O)\C=C\C=CC1CNCCC1 Amb25219642 [0,1,0,1,0,0|0,0,2]=4 987 B13R1.337 OC(=O)\C=C\NCC1CCCCC1 Amb25038835 [0,1,0,1,0,0|0,0,0]=2 988 B13R1.337 OC(=O)\C=C\NCC1CCOCC1 Amb24757305 [0,1,0,1,0,0|1,0,0]=3 989 B13R1.337 OC(=O)\C=C\NCC=1CCCCC1 Amb24607173 [0,1,0,1,0,0|0,0,2]=4 990 B13R1.893 CC1CC(NCC(O)=O)C(C)CC1 Amb25849092 [0,1,0,1,0,0|1,0,1]=4 991 B13R1.2068 CC1CC(CC)N(C1)\C=C\C(O)=O Amb25215017 [0,1,0,1,0,0|1,0,0]=3 992 B13R1.3529 CC1CCC(=O)N1C\C=C\C(O)=O Amb24389285 [0,1,0,1,0,0|1,0,1]=4 993 B13R1.7746 CC1(CN\C=C\C(O)=O)CCCO1 Amb25715662 [0,1,0,1,0,0|2,0,0]=4 994 B13R1.7746 OC(=O)\C=C\NCC1(O)CCCC1 Amb25157156 [0,1,0,1,0,0|1,0,0]=3 995 B13R1.8394 C[C@@H]1CC[C@@H](O)C=CC=CC(=O)O1 Amb24735169 [0,1,0,1,0,0|0,0,2]=4 996 B13R1.60 CCC1C\C(\CC1)=C/C=CC(O)=O Amb24474341 [0,1,0,1,0,0|0,0,2]=4 997 B13R1.60 CCN1CC(CC1)N\C=C\C(O)=O Amb24650132 [0,1,0,1,0,0|2,0,0]=4 998 B13R1.60 COC1CC(CC1)N\C=C\C(O)=O Amb25712369 [0,1,0,1,0,0|2,0,0]=4 999 B13R1.60 CSC1CC(CC1)N\C=C\C(O)=O Amb25127395 [0,1,0,1,0,0|2,0,0]=4 1000 B13R1.150 CC1C(C)SCCN1\C=C\C(O)=O Amb24392626 [0,1,0,1,0,0|2,0,0]=4 1001 B13R1.150 CC1C(O)CCCN1\C=C\C(O)=O Amb25272741 [0,1,0,1,0,0|1,0,0]=3 1002 B13R1.513 CC1CCN(C\C=C\C(O)=O)CC1 Amb18988788 [0,1,0,1,0,0|1,0,0]=3 1003 B13R1.513 CN1CCN(C\C=C\C(O)=O)CC1 Amb18296435 [0,1,0,1,0,0|2,0,0]=4 1004 B13R1.513 NC1CCN(C\C=C\C(O)=O)CC1 Amb18296458 [0,1,0,1,0,0|1,0,0]=3 1005 B13R1.513 OC(=O)\C=C\CN1CCC(=O)CC1 Amb18988791 [0,1,0,1,0,0|1,0,1]=4 1006 B13R1.513 OC(=O)\C=C\CN1CCS(=O)CC1 Amb18988793 [0,1,0,1,0,0|2,0,0]=4 1007 B13R1.513 OC1CCN(C\C=C\C(O)=O)CC1 Amb18988787 [0,1,0,1,0,0|1,0,0]=3 1008 B13R1.547 CC(CC)C1CCCCC1C(O)=O Amb25092342 [0,1,0,1,0,0|0,0,2]=4 1009 B13R1.643 CC(O)\C=C\C1CC(CCC1)CC Amb25257707 [0,1,0,1,0,0|1,0,1]=4 1010 B13R1.643 CCC1CC(CCC1)\C=C\[N+]([O-])=O Amb24692047 [0,1,0,1,0,0|1,0,1]=4 1011 B13R1.643 CCC1CN(CCC1)\C=C\C(O)=O Amb25855191 [0,1,0,1,0,0|1,0,0]=3 1012 B13R1.643 CCC1CN(CCO1)\C=C\C(O)=O Amb24438029 [0,1,0,1,0,0|2,0,0]=4 1013 B13R1.2792 CN1CCCCC=CC(=O)NCC1 Amb25041151 [0,1,0,1,0,0|2,0,0]=4 1014 B13R1.2792 OC1CCOC(=O)CCCCCC1 Amb24462040 [0,1,0,1,0,0|0,0,2]=4 1015 B13R1.3796 CC1CCCC(CC1)NCC(O)=O Amb25188043 [0,1,0,1,0,0|1,0,1]=4 1016 B13R1.3796 OC(=O)\C=C\N1CCCS(=O)CC1 Amb25067044 [0,1,0,1,0,0|2,0,0]=4 1017 B13R1.3796 OC1CCCN(CC1)\C=C\C(O)=O Amb24393895 [0,1,0,1,0,0|1,0,0]=3 1018 B13R1.23 Cc1ccc(o1)C(N)CCCCC Amb18805361 [0,1,0,1,0,0|1,0,1]=4 1019 B13R1.149 CC1CC(CC#CC(O)=O)CCC1 Amb24740820 [0,1,0,1,0,0|0,0,2]=4 1020 B13R1.149 CC1CC(CCC1)N\C=C\C(O)=O Amb25714915 [0,1,0,1,0,0|1,0,0]=3 1021 B13R1.149 CC1CN(C\C=C\C(O)=O)CCC1 Amb18296442 [0,1,0,1,0,0|1,0,0]=3 1022 B13R1.149 CC1CN(C\C=C\C(O)=O)CCO1 Amb18296444 [0,1,0,1,0,0|2,0,0]=4 1023 B13R1.149 CC=1CCCC(C1)O\C=C\C(O)=O Amb18648610 [0,1,0,1,0,0|1,0,1]=4 1024 B13R1.149 NC1CN(C\C=C\C(O)=O)CCC1 Amb18296459 [0,1,0,1,0,0|1,0,0]=3 1025 B13R1.149 OC(=O)\C=C\CC1CC(=O)CCC1 Amb18129064 [0,1,0,1,0,0|0,0,1]=3 1026 B13R1.149 OC1CN(C\C=C\C(O)=O)CCC1 Amb18988792 [0,1,0,1,0,0|1,0,0]=3 1027 B13R1.280 CC(=O)C=CC1=CCCCCC1C Amb24645441 [0,1,0,1,0,0|1,0,1]=4 1028 B13R1.280 CC1CCCCCC1NCC(O)=O Amb24466628 [0,1,0,1,0,0|0,0,2]=4 1029 B13R1.280 CC=1CCCCCC1CCC(O)=O Amb24391509 [0,1,0,1,0,0|0,0,2]=4 1030 B13R1.280 CC=1CCCCCC1\C=C\C(C)=O Amb25718362 [0,1,0,1,0,0|1,0,1]=4 1031 B13R1.280 CN1CCCCCC1CCC(O)=O Amb18191306 [0,1,0,1,0,0|0,0,2]=4 1032 B13R1.342 CC(N\C=C\C(O)=O)C1CCCC1 Amb25282028 [0,1,0,1,0,0|1,0,0]=3 1033 B13R1.342 CC(N\C=C\C(O)=O)C1CCCO1 Amb25698570 [0,1,0,1,0,0|2,0,0]=4 1034 B13R1.342 CC(N\C=C\C(O)=O)C1CCOC1 Amb25704526 [0,1,0,1,0,0|2,0,0]=4 1035 B13R1.342 C[C@H](N\C=C\C(O)=O)C1CCCC1 Amb24700617 [0,1,0,1,0,0|1,0,0]=3 1036 B13R1.658 CCCCCc1nc(cs1)C(=O)O Amb17205281 [0,1,0,1,0,0|1,0,1]=4 1037 B13R1.1988 CC(=O)NN=CC1CCCCCC1 Amb24621163 [0,1,0,1,0,0|2,0,0]=4 1038 B13R1.1988 OC(=O)CCCN1CCCCCC1 Amb10072744 [0,1,0,1,0,0|0,0,2]=4 1039 B13R1.1988 OC(=O)\C=C/C=C1CCCCCC1 Amb25784034 [0,1,0,1,0,0|0,0,1]=3 1040 B13R1.1988 OC(=O)\C=C\CN1CCCCCC1 Amb18296443 [0,1,0,1,0,0|0,0,0]=2 1041 B13R1.1988 OC(=O)\C=C\CN1CCNCCC1 Amb18296457 [0,1,0,1,0,0|1,0,0]=3 1042 B13R1.1988 OC(=O)\C=C\CN1CCOCCC1 Amb18302459 [0,1,0,1,0,0|1,0,0]=3 1043 B13R1.1988 OC(=O)\C=C\CN1CCSCCC1 Amb18296460 [0,1,0,1,0,0|1,0,0]=3 1044 B13R1.1988 OC(=O)\C=C\CN1CCSSCC1 Amb24366581 [0,1,0,1,0,0|2,0,0]=4 1045 B13R1.1988 OC(=O)\C=C\NC1CCCCCC1 Amb24731056 [0,1,0,1,0,0|0,0,0]=2 1046 B13R1.1988 OC(=O)\C=C\NC1COCCOC1 Amb25297793 [0,1,0,1,0,0|2,0,0]=4 1047 B13R1.3787 CC(=O)\C=C\C1C(C)CCCC1=C Amb25735063 [0,1,0,1,0,0|1,0,1]=4 1048 B13R1.5134 CC1(CCCCC1)N\C=C\C(O)=O Amb25709915 [0,1,0,1,0,0|1,0,0]=3 1049 B13R1.5134 CC1(CCOCC1)N\C=C\C(O)=O Amb25820022 [0,1,0,1,0,0|2,0,0]=4 1050 B13R1.5134 OC(=O)C#CCC1(O)CCCCC1 Amb25363234 [0,1,0,1,0,0|0,0,2]=4 1051 B13R1.5134 OC(=O)\C=C\CC1(O)CCCCC1 Amb18648910 [0,1,0,1,0,0|0,0,0]=2 1052 B13R1.90 CCC1CCCCC1\C=C\C(C)=O Amb25197461 [0,1,0,1,0,0|1,0,0]=3 1053 B13R1.90 CCC1CCCCC1\C=C\[N+]([O-])=O Amb25213746 [0,1,0,1,0,0|1,0,1]=4 1054 B13R1.90 CCC1CCCCN1CCC(O)=O Amb21955365 [0,1,0,1,0,0|0,0,2]=4 1055 B13R1.103 CCC1CCCC1N\C=C\C(O)=O Amb24601524 [0,1,0,1,0,0|0,0,0]=2 1056 B13R1.103 COC1CCCC1N\C=C\C(O)=O Amb25191803 [0,1,0,1,0,0|1,0,0]=3 1057 B13R1.167 CC1CCCC1CN\C=C\C(O)=O Amb25303472 [0,1,0,1,0,0|0,0,0]=2 1058 B13R1.167 CC1OCCC1CN\C=C\C(O)=O Amb24391822 [0,1,0,1,0,0|1,0,0]=3 1059 B13R1.167 CN1CCCC1CN\C=C\C(O)=O Amb24495071 [0,1,0,1,0,0|1,0,0]=3 1060 B13R1.167 OC1CCCC1CN\C=C\C(O)=O Amb25157085 [0,1,0,1,0,0|1,0,0]=3 1061 B13R1.224 CCCC1CCCCCC1C(O)=O Amb24377494 [0,1,0,1,0,0|0,0,2]=4 1062 B13R1.224 CCSC1CCCCCC1C(O)=O Amb18303070 [0,1,0,1,0,0|0,0,2]=4 1063 B13R1.226 OCCC1CCCCCCC(=O)O1 Amb25284567 [0,1,0,1,0,0|0,0,2]=4 1064 B13R1.279 OC1C=CCCCCCCCC=C1 Amb25129797 [0,1,0,1,0,0|1,0,1]=4 1065 B13R1.343 OC(=O)CNCCCN1CCCC1 Amb19058449 [0,1,0,1,0,0|1,0,1]=4 1066 B13R1.380 C=CCC/1CCCC\C1=C/C(O)=O Amb22339292 [0,1,0,1,0,0|0,0,1]=3 1067 B13R1.380 C=CCC/1CCCC\C1=C\C(O)=O Amb24711380 [0,1,0,1,0,0|0,0,1]=3 1068 B13R1.380 CCCC1CCCCC1CC(O)=O Amb22339365 [0,1,0,1,0,0|0,0,2]=4 1069 B13R1.380 CCCN1CCCCC1CC(O)=O Amb18304879 [0,1,0,1,0,0|0,0,2]=4 1070 B13R1.380 CCOC1CCCCC1CC(O)=O Amb18191219 [0,1,0,1,0,0|0,0,2]=4 1071 B13R1.380 COCC1CCCCN1CC(O)=O Amb21865524 [0,1,0,1,0,0|1,0,1]=4 1072 B13R1.392 CC(=O)NN=C1CCCC1CCC Amb25681189 [0,1,0,1,0,0|2,0,0]=4 1073 B13R1.486 OCCCC1CCCCCC(=O)O1 Amb24569922 [0,1,0,1,0,0|0,0,2]=4 1074 B13R1.572 CCCCN1CCCCC1C(=O)O Amb13886354 [0,1,0,1,0,0|0,0,2]=4 1075 B13R1.572 CCCCN1CCCCC1C(=O)O Amb2382770 [0,1,0,1,0,0|0,0,2]=4 1076 B13R1.610 CCC1CCCCCN1CC(O)=O Amb24349311 [0,1,0,1,0,0|0,0,2]=4 1077 B13R1.610 CC[C@@H]1NCCCC[C@H]1CC(O)=O Amb18191310 [0,1,0,1,0,0|0,0,2]=4 1078 B13R1.610 COC1CCCCCC1CC(O)=O Amb18822015 [0,1,0,1,0,0|0,0,2]=4 1079 B13R1.610 OCC1CCCCCC1CC(O)=O Amb25101626 [0,1,0,1,0,0|0,0,2]=4 1080 B13R1.610 OCC1CCCCCN1CC(O)=O Amb25696335 [0,1,0,1,0,0|1,0,1]=4 1081 B13R1.614 CCC1CCCCCCC1C(O)=O Amb24710104 [0,1,0,1,0,0|0,0,2]=4 1082 B13R1.670 CCCCCn1nncc1C(=O)O Amb17535386 [0,1,0,1,0,0|2,0,0]=4 1083 B13R1.1009 OC(=O)C1CCCCCCCCC1 Amb25061287 [0,1,0,1,0,0|0,0,2]=4 1084 B13R1.1009 OC(=O)C1CCCCNCCCC1 Amb24365928 [0,1,0,1,0,0|0,0,2]=4 1085 B13R1.1009 OC(=O)C=1C=CCCCCCCC1 Amb24469345 [0,1,0,1,0,0|0,0,1]=3 1086 B13R1.1009 OC(=O)C=1CCCCCCCCC1 Amb24711230 [0,1,0,1,0,0|0,0,0]=2 1087 B13R1.1022 CC(=O)\C=C\C1CCCCCCC1 Amb24380069 [0,1,0,1,0,0|1,0,0]=3 1088 B13R1.1022 CC(=O)\C=C\C=1CCCCCCC1 Amb25263119 [0,1,0,1,0,0|1,0,1]=4 1089 B13R1.1022 CC(=O)\N=C/C1CCCCCCC1 Amb24073013 [0,1,0,1,0,0|1,0,1]=4 1090 B13R1.1022 NC(=O)\C=C\C1CCCCCCC1 Amb25791108 [0,1,0,1,0,0|1,0,0]=3 1091 B13R1.1022 OC(=O)C#CC1CCCCCCC1 Amb25332789 [0,1,0,1,0,0|0,0,2]=4 1092 B13R1.1022 OC(=O)CCN1CCCCCCC1 Amb21955684 [0,1,0,1,0,0|0,0,2]=4 1093 B13R1.1022 OC(=O)CSC1CCCCCCC1 Amb25725888 [0,1,0,1,0,0|0,0,2]=4 1094 B13R1.1022 OC(=O)\C=C\C1CCCCCCC1 Amb24397482 [0,1,0,1,0,0|0,0,0]=2 1095 B13R1.1022 [O-][N+](=O)\C=C\C1CCCCCCC1 Amb25345338 [0,1,0,1,0,0|1,0,1]=4 1096 B13R1.91 CCC1CCCCC1NC(=O)OC Amb25301109 [0,1,0,1,0,0|1,0,1]=4 1097 B13R1.189 CCCCCCc1ccc(C=O)[s]1 Amb20672055 [0,1,0,1,0,0|0,1,1]=4 1098 B13R1.382 CCCC1CCC=CN1C(=O)OC Amb24060025 [0,1,0,1,0,0|1,0,1]=4 1099 B13R1.527 COC(=O)CN1CCCCCC1C Amb24746790 [0,1,0,1,0,0|1,0,1]=4 1100 B13R1.528 CC1CCCCC1\C=C\C(=O)OC Amb25374527 [0,1,0,1,0,0|0,0,0]=2 1101 B13R1.528 COC(=O)\C=C\C1OCCCC1O Amb24688131 [0,1,0,1,0,0|2,0,0]=4 1102 B13R1.528 COC(=O)\C=C\N1CCCCC1C Amb25353058 [0,1,0,1,0,0|1,0,0]=3 1103 B13R1.528 COC(=O)\C=C\N1CCOCC1C Amb25803379 [0,1,0,1,0,0|2,0,0]=4 1104 B13R1.528 COC(=O)\C=C\N1CCSCC1C Amb24730147 [0,1,0,1,0,0|2,0,0]=4 1105 B13R1.528 COC(=O)\C=C\[C@H]1OCCC[C@@H]1O Amb24748250 [0,1,0,1,0,0|2,0,0]=4 1106 B13R1.536 COC(=O)C#CCCC1CCCC1 Amb24758508 [0,1,0,1,0,0|0,0,2]=4 1107 B13R1.599 CC1CCCC1N\C=C\C(=O)OC Amb25841860 [0,1,0,1,0,0|1,0,0]=3 1108 B13R1.599 CC1OCCC1N\C=C\C(=O)OC Amb25342805 [0,1,0,1,0,0|2,0,0]=4 1109 B13R1.599 CC1SCCC1N\C=C\C(=O)OC Amb24434387 [0,1,0,1,0,0|2,0,0]=4 1110 B13R1.599 COC(=O)\C=C\NC1CCCC1O Amb25774012 [0,1,0,1,0,0|2,0,0]=4 1111 B13R1.611 CCC1CCCCCN1C(=O)OC Amb25155679 [0,1,0,1,0,0|1,0,1]=4 1112 B13R1.623 O=CC1CCCCCCCCC=C1 Amb24706997 [0,1,0,1,0,0|1,0,1]=4 1113 B13R1.718 CCC(=O)\C=C\NC1CCCCC1 Amb25254777 [0,1,0,1,0,0|2,0,0]=4 1114 B13R1.718 COC(=O)\C=C\NC1CCOCC1 Amb24385382 [0,1,0,1,0,0|2,0,0]=4 1115 B13R1.718 COC(=O)\C=C\NC1COCCC1 Amb25710687 [0,1,0,1,0,0|2,0,0]=4 1116 B13R1.718 C\C(\C=O)=C/C=C/C1CCCCC1 Amb24474570 [0,1,0,1,0,0|1,0,1]=4 1117 B13R1.1689 COC(=O)N1CCCCCCCC1 Amb25097230 [0,1,0,1,0,0|1,0,1]=4 1118 B13R1.1711 COC(=O)C#CC1CCCCCC1 Amb25278204 [0,1,0,1,0,0|0,0,2]=4 1119 B13R1.1711 COC(=O)NCC1CCCCCC1 Amb24626429 [0,1,0,1,0,0|1,0,1]=4 1120 B13R1.1711 COC(=O)\C=C\C1CCCCCC1 Amb24702978 [0,1,0,1,0,0|0,0,0]=2 1121 B13R1.1711 OCC(=O)CC=C1CCCCCC1 Amb22363899 [0,1,0,1,0,0|0,0,2]=4 1122 B13R1.1870 COC(=O)C=C1CCCCCCC1 Amb25180453 [0,1,0,1,0,0|0,0,0]=2 1123 B13R1.1870 COC(=O)NC1CCCCCCC1 Amb17739564 [0,1,0,1,0,0|1,0,1]=4 1124 B13R1.1870 COC(=O)NC=1CCCCCCC1 Amb25224448 [0,1,0,1,0,0|1,0,1]=4 1125 B13R1.1870 COC(=O)OC1CCCCCCC1 Amb25782061 [0,1,0,1,0,0|1,0,1]=4 1126 B13R1.1870 OCC(=O)C=C1CCCCCCC1 Amb25065458 [0,1,0,1,0,0|0,0,0]=2 1127 B13R1.1870 ONC(=O)NC1CCCCCCC1 Amb24453348 [0,1,0,1,0,0|1,0,1]=4 1128 B13R1.1885 CCCCCCC1CC1C(=O)OC Amb24100754 [0,1,0,1,0,0|0,0,2]=4 1129 B13R1.89 CC(=O)C(=O)N1CCCCC1CC Amb25130185 [0,1,0,1,0,0|2,0,0]=4 1130 B13R1.89 CC(C(O)=O)=C1CCCCC1CC Amb24471970 [0,1,0,1,0,0|0,0,0]=2 1131 B13R1.89 CC(C(O)=O)=C1CCCCC1OC Amb24630204 [0,1,0,1,0,0|1,0,0]=3 1132 B13R1.89 CC(C(O)=O)=C1CCOCC1OC Amb25137599 [0,1,0,1,0,0|2,0,0]=4 1133 B13R1.89 CC(C1CCCCC1CC)C(O)=O Amb24405476 [0,1,0,1,0,0|0,0,2]=4 1134 B13R1.89 CCC1CCCCC1=C(F)C(O)=O Amb24591445 [0,1,0,1,0,0|0,0,0]=2 1135 B13R1.89 CCC1CCCCC1C(N)C(O)=O Amb25345376 [0,1,0,1,0,0|0,0,2]=4 1136 B13R1.89 OC(=O)C(=O)N1CCCCC1CO Amb18954511 [0,1,0,1,0,0|2,0,0]=4 1137 B13R1.169 CC1OCCC1CNC(=O)C(O)=O Amb24495465 [0,1,0,1,0,0|2,0,0]=4 1138 B13R1.169 OC(=O)C(=O)NCC1CCCC1O Amb25270873 [0,1,0,1,0,0|2,0,0]=4 1139 B13R1.202 CC1CCCCC1CC(F)C(O)=O Amb25232305 [0,1,0,1,0,0|0,0,2]=4 1140 B13R1.202 CC1CCCCC1CC(N)C(O)=O Amb25310306 [0,1,0,1,0,0|0,0,2]=4 1141 B13R1.202 CC1CCCCC1CC(S)C(O)=O Amb24602088 [0,1,0,1,0,0|0,0,2]=4 1142 B13R1.202 CC1CCCCC1NC(C)C(O)=O Amb19058025 [0,1,0,1,0,0|1,0,1]=4 1143 B13R1.202 CC1CCCCC1N[C@@H](C)C(O)=O Amb24371712 [0,1,0,1,0,0|1,0,1]=4 1144 B13R1.202 CC1CCCCN1CC(=C)C(O)=O Amb25265234 [0,1,0,1,0,0|1,0,1]=4 1145 B13R1.202 CC1CNCCC1NC(=O)C(O)=O Amb25725121 [0,1,0,1,0,0|2,0,0]=4 1146 B13R1.202 NC1CCCCC1NC(=O)C(O)=O Amb18282956 [0,1,0,1,0,0|2,0,0]=4 1147 B13R1.202 OC(=O)C(=O)NC1CCCCC1O Amb18285715 [0,1,0,1,0,0|2,0,0]=4 1148 B13R1.202 OC(=O)C(=O)N[C@@H]1CCCC[C@H]1F Amb25794515 [0,1,0,1,0,0|2,0,0]=4 1149 B13R1.202 OC(=O)C(=O)N[C@H]1CCCC[C@@H]1O Amb24339710 [0,1,0,1,0,0|2,0,0]=4 1150 B13R1.202 OC(=O)C(=O)O[C@H]1CCCC[C@@H]1O Amb25209945 [0,1,0,1,0,0|2,0,0]=4 1151 B13R1.351 CC(=CCN1CCCCC1)C(O)=O Amb25733288 [0,1,0,1,0,0|1,0,0]=3 1152 B13R1.351 CC(=CCN1CCSCC1)C(O)=O Amb25358203 [0,1,0,1,0,0|2,0,0]=4 1153 B13R1.351 CC(=CNC1CCCCC1)C(C)=O Amb24695155 [0,1,0,1,0,0|2,0,0]=4 1154 B13R1.351 OC(=O)C(=O)NCC1CCCCN1 Amb24347442 [0,1,0,1,0,0|2,0,0]=4 1155 B13R1.351 OC(=O)C(=O)NCC1CCCCO1 Amb18979864 [0,1,0,1,0,0|2,0,0]=4 1156 B13R1.351 OC(=O)C(=O)NCC1CCOCC1 Amb25832028 [0,1,0,1,0,0|2,0,0]=4 1157 B13R1.351 OC(=O)C(=O)NCC1CCSCC1 Amb25808338 [0,1,0,1,0,0|2,0,0]=4 1158 B13R1.351 OC(=O)C(=O)NCC1COCCC1 Amb18983632 [0,1,0,1,0,0|2,0,0]=4 1159 B13R1.351 OC(=O)C(=O)NNC1CCCCC1 Amb25337753 [0,1,0,1,0,0|2,0,0]=4 1160 B13R1.351 OC(=O)C(=O)\C=C\C1CCCCC1 Amb25758527 [0,1,0,1,0,0|0,0,1]=3 1161 B13R1.351 OC(=O)C(=O)\C=C\C1CCOCC1 Amb24364519 [0,1,0,1,0,0|1,0,1]=4 1162 B13R1.1110 OC(=O)C(=O)NCCN1CCCC1 Amb19026906 [0,1,0,1,0,0|2,0,0]=4 1163 B13R1.2801 COC1CCCC1NC(=O)C(O)=O Amb18985720 [0,1,0,1,0,0|2,0,0]=4 1164 B13R1.2801 CSC1CCCC1NC(=O)C(O)=O Amb24495470 [0,1,0,1,0,0|2,0,0]=4 1165 B13R1.2801 NCC1CCCC1NC(=O)C(O)=O Amb24370872 [0,1,0,1,0,0|2,0,0]=4 1166 B13R1.3766 CC1CCCCCN1C(=O)C(O)=O Amb24493878 [0,1,0,1,0,0|1,0,0]=3 1167 B13R1.3766 CC1CCSCCN1C(=O)C(O)=O Amb25264208 [0,1,0,1,0,0|2,0,0]=4 1168 B13R1.3807 OC(=O)C=1CC(=O)CCCCCC1 Amb24692912 [0,1,0,1,0,0|0,0,1]=3 1169 B13R1.6161 CC(=O)C(=O)N1CCCCCCC1 Amb25099092 [0,1,0,1,0,0|2,0,0]=4 1170 B13R1.6161 CC(C(O)=O)=C1CCCCCCC1 Amb25114784 [0,1,0,1,0,0|0,0,0]=2 1171 B13R1.6161 CC(C1CCCCCCC1)C(O)=O Amb24652377 [0,1,0,1,0,0|0,0,2]=4 1172 B13R1.6161 OC(=O)C(F)C1CCCCCCC1 Amb24735487 [0,1,0,1,0,0|0,0,2]=4 1173 B13R1.6192 C=C(CN1CCCCCC1)C(O)=O Amb25843311 [0,1,0,1,0,0|1,0,1]=4 1174 B13R1.6192 CC(=CC1CCCCCC1)C(C)=O Amb25039069 [0,1,0,1,0,0|1,0,0]=3 1175 B13R1.6192 CC(=CC1CCCCCC1)C(O)=O Amb24489531 [0,1,0,1,0,0|0,0,0]=2 1176 B13R1.6192 CC(=CC=1CCCCCC1)C(O)=O Amb25327819 [0,1,0,1,0,0|0,0,2]=4 1177 B13R1.6192 CC(C(=O)O)NC1CCCCCC1 Amb17401063 [0,1,0,1,0,0|1,0,1]=4 1178 B13R1.6192 CC(O)C(C)=CC1CCCCCC1 Amb25673999 [0,1,0,1,0,0|1,0,1]=4 1179 B13R1.6192 CC(OC1CCCCCC1)C(O)=O Amb18979541 [0,1,0,1,0,0|1,0,1]=4 1180 B13R1.6192 C[C@@H](OC1CCCCCC1)C(O)=O Amb24358293 [0,1,0,1,0,0|1,0,1]=4 1181 B13R1.6192 C[C@H](OC1CCCCCC1)C(O)=O Amb25721303 [0,1,0,1,0,0|1,0,1]=4 1182 B13R1.6192 O=C(C(=O)C)NC1CCCCCC1 Amb17400987 [0,1,0,1,0,0|2,0,0]=4 1183 B13R1.6192 OC(=O)C(=O)CC1CCCCCC1 Amb24751418 [0,1,0,1,0,0|0,0,1]=3 1184 B13R1.6192 OC(=O)C(=O)NC1CCCNCC1 Amb25852424 [0,1,0,1,0,0|2,0,0]=4 1185 B13R1.6192 OC(=O)C(=O)NC1CCCOCC1 Amb25206102 [0,1,0,1,0,0|2,0,0]=4 1186 B13R1.6192 OC(=O)C(F)CC1CCCCCC1 Amb24526765 [0,1,0,1,0,0|0,0,2]=4 1187 B13R1.6192 OC(=O)C(F)OC1CCCCCC1 Amb24489657 [0,1,0,1,0,0|1,0,1]=4 1188 B13R1.45 CC(=CCC(O)=O)C1CCCCC1 Amb24590343 [0,1,0,1,0,0|0,0,2]=4 1189 B13R1.45 CC(O)\C=C\C(O)C1CCCCC1 Amb25222228 [0,1,0,1,0,0|1,0,1]=4 1190 B13R1.45 CC(\C=C\C(C)O)C1CCCCC1 Amb24679766 [0,1,0,1,0,0|1,0,1]=4 1191 B13R1.45 CC(\C=C\C(O)=O)C1CCCCC1 Amb24388036 [0,1,0,1,0,0|0,0,0]=2 1192 B13R1.45 CN(\C=C\C(O)=O)C1CCNCC1 Amb24342367 [0,1,0,1,0,0|2,0,0]=4 1193 B13R1.45 CN(\C=C\C(O)=O)C1CCOCC1 Amb24396383 [0,1,0,1,0,0|2,0,0]=4 1194 B13R1.45 C[C@@H](O)\C=C\[C@@H](O)C1CCCCC1 Amb25221532 [0,1,0,1,0,0|1,0,1]=4 1195 B13R1.45 C\C(=C/CC(O)=O)\C1CCCCC1 Amb24634301 [0,1,0,1,0,0|0,0,2]=4 1196 B13R1.45 NC(CCC(O)=O)C1CCCCC1 Amb23440686 [0,1,0,1,0,0|0,0,2]=4 1197 B13R1.45 O=C(N1CCCCC1)\C=C/C(=O)O Amb2370968 [0,1,0,1,0,0|1,0,1]=4 1198 B13R1.45 OC(=O)\C=C\C(=O)C1CCCCC1 Amb18129062 [0,1,0,1,0,0|0,0,1]=3 1199 B13R1.45 OC(=O)\C=C\S(=O)C1CCOCC1 Amb25834034 [0,1,0,1,0,0|2,0,0]=4 1200 B13R1.45 OC(C#CC(O)=O)C1CCCCC1 Amb25299434 [0,1,0,1,0,0|0,0,2]=4 1201 B13R1.45 OC(\C=C\C(O)=O)C1CCCCC1 Amb18648916 [0,1,0,1,0,0|0,0,0]=2 1202 B13R1.159 CC(=O)\C=C\C1(F)CCCCC1O Amb24749796 [0,1,0,1,0,0|2,0,0]=4 1203 B13R1.159 CC1CCCCC1(C)NCC(O)=O Amb25167292 [0,1,0,1,0,0|1,0,1]=4 1204 B13R1.168 CC(\C=C\C(O)=O)C1CCCC1=O Amb24710274 [0,1,0,1,0,0|1,0,1]=4 1205 B13R1.168 CC1CCCN1C(=O)\C=C/C(O)=O Amb25233969 [0,1,0,1,0,0|1,0,1]=4 1206 B13R1.168 CC1CCCN1C(=O)\C=C\C(O)=O Amb18950669 [0,1,0,1,0,0|1,0,1]=4 1207 B13R1.277 CC1CCC1NC(=O)\C=C\C(O)=O Amb25153362 [0,1,0,1,0,0|1,0,1]=4 1208 B13R1.344 O=C(NC1CCCC1)\C=C/C(=O)O Amb1159779 [0,1,0,1,0,0|1,0,1]=4 1209 B13R1.3688 CCCCCCC1(C)CCC(=O)O1 Amb15693415 [0,1,0,1,0,0|0,0,2]=4 1210 B13R1.8682 CC(=O)\C=C\C1(C)CCCCCC1 Amb24557895 [0,1,0,1,0,0|1,0,0]=3 1211 B13R1.8682 CC1(CCC(O)=O)CCCCCC1 Amb24693057 [0,1,0,1,0,0|0,0,2]=4 1212 B13R1.8682 CC1(CCCCCC1)\C=C\C(O)=O Amb24626862 [0,1,0,1,0,0|0,0,0]=2 1213 B13R1.8682 NC1(CCC(O)=O)CCCCCC1 Amb18822376 [0,1,0,1,0,0|0,0,2]=4 1214 B13R1.589 CC(C)C1CCCCC1=CC(C)O Amb25763403 [0,1,0,1,0,0|1,0,1]=4 1215 B13R1.589 CC(C)CC1CCCCC1C(O)=O Amb24676030 [0,1,0,1,0,0|0,0,2]=4 1216 B13R1.589 CC(C)CC=1CCCCC1C(O)=O Amb24546019 [0,1,0,1,0,0|0,0,2]=4 1217 B13R1.589 CC(N)C1CCCCN1CC(O)=O Amb25143043 [0,1,0,1,0,0|1,0,1]=4 1218 B13R1.589 CC(O)C1CCCCN1CC(O)=O Amb25686757 [0,1,0,1,0,0|1,0,1]=4 1219 B13R1.1013 CC1(C)CCCC1N\C=C\C(O)=O Amb25133195 [0,1,0,1,0,0|1,0,0]=3 1220 B13R1.1082 CC(C)C1CCCCCC1C(O)=O Amb25774936 [0,1,0,1,0,0|0,0,2]=4 1221 B13R1.3575 CC1(C)CCCCC1C#CC(O)=O Amb24344516 [0,1,0,1,0,0|0,0,2]=4 1222 B13R1.3575 CC1(C)CCCCC1NCC(O)=O Amb25074967 [0,1,0,1,0,0|1,0,1]=4 1223 B13R1.113 CC1CCN(\C=C\C(O)=O)C1CC Amb24522505 [0,1,0,1,0,0|1,0,0]=3 1224 B13R1.113 CC1CCN(\C=C\C(O)=O)C1CO Amb25157475 [0,1,0,1,0,0|2,0,0]=4 1225 B13R1.164 CC1CC(C)C(CC1)NCC(O)=O Amb25738786 [0,1,0,1,0,0|1,0,1]=4 1226 B13R1.164 CC1CC(C)N(CC1)\C=C\C(O)=O Amb24591324 [0,1,0,1,0,0|1,0,0]=3 1227 B13R1.164 CN1CCN(\C=C\C(O)=O)C(C)C1 Amb25684052 [0,1,0,1,0,0|2,0,0]=4 1228 B13R1.1455 CCOC(=O)C1CC1\C=C\C(O)=O Amb23590864 [0,1,0,1,0,0|1,0,1]=4 1229 B13R1.3485 CC1CC(C)N(C1)C\C=C\C(O)=O Amb25155654 [0,1,0,1,0,0|1,0,0]=3 1230 B13R1.3485 CC1OC(C)CC1N\C=C\C(O)=O Amb25354072 [0,1,0,1,0,0|2,0,0]=4 1231 B13R2.7 CCC1CCCC12CNC(=O)O2 Amb25061477 [0,0,0,2,0,0|1,0,1]=4 1232 B13R2.10 Brc1ccc(o1)C2CCCCC2 Amb24318773 [0,0,0,2,0,0|1,0,1]=4 1233 B13R2.10 O=C1C=CC(O1)C2CCCCN2 Amb24356022 [0,0,0,2,0,0|1,0,0]=3 1234 B13R2.10 O=C1C=C[C@H](O1)[C@H]2CCCCN2 Amb25179377 [0,0,0,2,0,0|1,0,0]=3 1235 B13R2.10 O=C1CN(C=C1)C2CCCCC2 Amb25094490 [0,0,0,2,0,0|2,0,0]=4 1236 B13R2.10 OC1CC(C=C1)C2CCCCC2 Amb24398068 [0,0,0,2,0,0|1,0,1]=4 1237 B13R2.389 CC1CCCCC2CC(=O)C=C21 Amb25838731 [0,0,0,2,0,0|1,0,0]=3 1238 B13R2.581 CO[C@H]1CCC[C@H]2CC(=O)C=C21 Amb24723970 [0,0,0,2,0,0|2,0,0]=4 1239 B13R2.3672 O=C1C=CC2CCCCCCC12 Amb25735813 [0,0,0,2,0,0|1,0,0]=3 1240 B13R2.3672 O=C1C=C[C@@H]2CCCCCC[C@@H]12 Amb24706770 [0,0,0,2,0,0|1,0,0]=3 1241 B13R2.4688 O=C1C=C2CCCCCC=C2O1 Amb24626115 [0,0,0,2,0,0|0,0,2]=4 1242 B13R2.4688 O=C1C=C2CCCCCCC2O1 Amb25111906 [0,0,0,2,0,0|0,0,0]=2 1243 B13R2.4688 O=C1CC2CCCCCOC2=C1 Amb24736199 [0,0,0,2,0,0|2,0,0]=4 1244 B13R2.4688 O=C1N[C@@H]2CCCCCC[C@@H]2O1 Amb25289252 [0,0,0,2,0,0|1,0,1]=4 1245 B13R2.4688 O=C1N[C@H]2CCCCCC[C@@H]2O1 Amb25343907 [0,0,0,2,0,0|1,0,1]=4 1246 B13R2.4688 OC1CC2CCCCCCC2=C1 Amb25115934 [0,0,0,2,0,0|1,0,1]=4 1247 B13R2.5023 CC1CCCCC12CC(=O)C=C2 Amb25128948 [0,0,0,2,0,0|1,0,0]=3 1248 B13R2.5023 CC1CCCCC12CNC(=O)O2 Amb24445047 [0,0,0,2,0,0|1,0,1]=4 1249 B13R2.5023 C[C@H]1CCCC[C@@]12CC(=O)C=C2 Amb24512482 [0,0,0,2,0,0|1,0,0]=3 1250 B13R2.13132 O=C1NCC2(CCCCCC2)O1 Amb24456024 [0,0,0,2,0,0|1,0,1]=4 1251 B13R2.13132 OC1CC2(CCCCCC2)C=C1 Amb25156811 [0,0,0,2,0,0|1,0,1]=4 1252 B13R2.3473 CC1CCCC12CC(=O)C=CO2 Amb25150905 [0,0,0,2,0,0|2,0,0]=4 1253 B13R2.3729 O=C1NCC2CCCCCC2O1 Amb25378885 [0,0,0,2,0,0|1,0,1]=4 1254 B13R2.3729 O=C1NC[C@@H]2CCCCC[C@@H]2O1 Amb25276457 [0,0,0,2,0,0|1,0,1]=4 1255 B13R2.4719 O=C1CC2CC(CCCCC2)=C1 Amb25116523 [0,0,0,2,0,0|1,0,0]=3 1256 B13R2.4818 CC1CCCC2NC=CC(=O)N21 Amb24726022 [0,0,0,2,0,0|2,0,0]=4 1257 B13R2.5331 O=C1CC(CCC2CC2)OC=C1 Amb25362436 [0,0,0,2,0,0|2,0,0]=4 1258 B13R2.11128 O=C1C=CCC2(N1)CCNCC2 Amb10069946 [0,0,0,2,0,0|2,0,0]=4 1259 B13R2.11128 O=C1CC2(CCCCC2)OC=C1 Amb24649510 [0,0,0,2,0,0|2,0,0]=4 1260 B13R2.11128 O=C1COCC2(CCCCC2)O1 Amb24060708 [0,0,0,2,0,0|1,0,1]=4 1261 B13R2.4787 O=C1CC2CCCCCCC=C12 Amb25729211 [0,0,0,2,0,0|1,0,0]=3 1262 B13R2.4787 O=C1NC2CCCCCCC=C12 Amb24410936 [0,0,0,2,0,0|1,0,0]=3 1263 B13R2.5283 O=C1CC(=C1)N2CCCCCC2 Amb24646445 [0,0,0,2,0,0|2,0,0]=4 1264 B13R2.72 CC(=O)C=1CCC2CCCCC12 Amb25833594 [0,0,0,2,0,0|1,0,0]=3 1265 B13R2.72 CC(=O)C=1CCN2CCCCC21 Amb24456119 [0,0,0,2,0,0|2,0,0]=4 1266 B13R2.72 CC(=O)C=1COC2CCCCC12 Amb25152408 [0,0,0,2,0,0|2,0,0]=4 1267 B13R2.72 OC(=O)C1=NO[C@@H]2CCCC[C@H]12 Amb24107524 [0,0,0,2,0,0|2,0,0]=4 1268 B13R2.72 OC(=O)C1CCC2CCCCN21 Amb23441245 [0,0,0,2,0,0|1,0,1]=4 1269 B13R2.72 OC(=O)C1NCC2CCCCC21 Amb18826042 [0,0,0,2,0,0|1,0,1]=4 1270 B13R2.72 OC(=O)C=1CCC2CCCCC12 Amb24710203 [0,0,0,2,0,0|0,0,0]=2 1271 B13R2.72 OC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]21 Amb24580399 [0,0,0,2,0,0|0,0,2]=4 1272 B13R2.72 OC(=O)[C@@H]1NC[C@H]2CCCC[C@@H]21 Amb24514926 [0,0,0,2,0,0|1,0,1]=4 1273 B13R2.72 OC(=O)[C@H]1NCC2CCCCC21 Amb25775907 [0,0,0,2,0,0|1,0,1]=4 1274 B13R2.72 OC(=O)[C@H]1NC[C@@H]2CCCC[C@H]21 Amb24737324 [0,0,0,2,0,0|1,0,1]=4 1275 B13R2.72 OC(=O)[C@H]1NC[C@H]2CCCC[C@@H]21 Amb25373956 [0,0,0,2,0,0|1,0,1]=4 1276 B13R2.328 CC=1OC(=O)C=C2CCCCC21 Amb24102196 [0,0,0,2,0,0|0,0,2]=4 1277 B13R2.328 CN1CC(=O)C=C2CCCCC12 Amb25767791 [0,0,0,2,0,0|2,0,0]=4 1278 B13R2.328 CN1CC(=O)C=C2CCCC[C@@H]12 Amb24645497 [0,0,0,2,0,0|2,0,0]=4 1279 B13R2.328 CN1CC(=O)C=C2CCCC[C@H]12 Amb25202617 [0,0,0,2,0,0|2,0,0]=4 1280 B13R2.328 C[C@H]1OC(=O)N[C@H]2CCCC[C@@H]21 Amb25366397 [0,0,0,2,0,0|1,0,1]=4 1281 B13R2.545 OC(=O)CC1CCCCC12CC2 Amb18826489 [0,0,0,2,0,0|0,0,2]=4 1282 B13R2.1282 CC(=O)\C=C/1\CCC2CCC1O2 Amb25179788 [0,0,0,2,0,0|2,0,0]=4 1283 B13R2.1282 OC(=O)\C=C/1\CCN2CCC1C2 Amb25804937 [0,0,0,2,0,0|1,0,0]=3 1284 B13R2.1287 NC(=O)\C=C/1\CN2CCC1CC2 Amb25362230 [0,0,0,2,0,0|2,0,0]=4 1285 B13R2.1287 OC(=O)CC1CC2CCC1CC2 Amb25262532 [0,0,0,2,0,0|0,0,2]=4 1286 B13R2.2363 OC[C@]12CCCCC1=CC(=O)O2 Amb25234840 [0,0,0,2,0,0|1,0,0]=3 1287 B13R2.430 OC(=O)C1CC2CCCC2CC1 Amb24513627 [0,0,0,2,0,0|0,0,2]=4 1288 B13R2.430 OC(=O)C1CCC2CCCC2=C1 Amb24341552 [0,0,0,2,0,0|0,0,2]=4 1289 B13R2.430 OC(=O)C1CCC2CCCC2N1 Amb25828484 [0,0,0,2,0,0|1,0,1]=4 1290 B13R2.430 OC(=O)C=1CC2CCCC2CC1 Amb24341792 [0,0,0,2,0,0|0,0,0]=2 1291 B13R2.430 OC(=O)C=1CC[C@H]2CCC[C@@H]2C1 Amb25211670 [0,0,0,2,0,0|0,0,0]=2 1292 B13R2.430 OC(=O)C=1C[C@H]2CCC[C@@H]2CC1 Amb24595776 [0,0,0,2,0,0|0,0,0]=2 1293 B13R2.430 OC(=O)C=1C[C@H]2CCC[C@H]2CC1 Amb25241549 [0,0,0,2,0,0|0,0,0]=2 1294 B13R2.430 OC(=O)[C@@H]1CC[C@@H]2CCC[C@@H]2N1 Amb24068296 [0,0,0,2,0,0|1,0,1]=4 1295 B13R2.430 OC(=O)[C@@H]1C[C@@H]2CCC[C@H]2CC1 Amb24557812 [0,0,0,2,0,0|0,0,2]=4 1296 B13R2.687 CC(=O)\C=C/1\CCN2CCCC21 Amb24401739 [0,0,0,2,0,0|2,0,0]=4 1297 B13R2.687 OC(=O)CC1CC[C@H]2CCC[C@@H]12 Amb24739560 [0,0,0,2,0,0|0,0,2]=4 1298 B13R2.1264 OC(=O)\C=C\N1C2CCC1CC2 Amb25280859 [0,0,0,2,0,0|1,0,0]=3 1299 B13R2.5551 CC(=O)\C=C\[C@@H]1C[C@H]2C[C@H]1CC2 Amb24520657 [0,0,0,2,0,0|1,0,0]=3 1300 B13R2.5551 CC(O)\C=C\C1CC2CC1CC2 Amb24339281 [0,0,0,2,0,0|1,0,1]=4 1301 B13R2.5551 OC(=O)CCC1CC2CC1CC2 Amb24692916 [0,0,0,2,0,0|0,0,2]=4 1302 B13R2.5551 OC(=O)CC[C@@H]1C[C@H]2C[C@@H]1CC2 Amb25249118 [0,0,0,2,0,0|0,0,2]=4 1303 B13R2.5551 OC(=O)CNC1CC2CC1CC2 Amb18788990 [0,0,0,2,0,0|1,0,1]=4 1304 B13R2.5551 OC(=O)\C=C\C1C[C@@H]2C[C@H]1C=C2 Amb17934111 [0,0,0,2,0,0|0,0,2]=4 1305 B13R2.5551 OC(=O)\C=C\C1C[C@H]2C[C@@H]1C=C2 Amb24515125 [0,0,0,2,0,0|0,0,2]=4 1306 B13R2.5551 OC(=O)\C=C\N1CC2CC1CS2 Amb24373357 [0,0,0,2,0,0|2,0,0]=4 1307 B13R2.7243 OCC12CC(=O)C=CC1CCC2 Amb24594681 [0,0,0,2,0,0|2,0,0]=4 1308 B13R2.33 O=C1CCC2CCCCN2C=C1 Amb25839298 [0,0,0,2,0,0|2,0,0]=4 1309 B13R2.33 O=C1COC2CCCCC2C=C1 Amb24551521 [0,0,0,2,0,0|2,0,0]=4 1310 B13R2.34 C[C@]12CC(=O)C=CC1CCCC2 Amb24370176 [0,0,0,2,0,0|1,0,0]=3 1311 B13R2.435 CC(=O)C=1CC2CCCCC2C1 Amb25086719 [0,0,0,2,0,0|1,0,0]=3 1312 B13R2.435 OC(=O)C1=NC2CCCCC2O1 Amb24679356 [0,0,0,2,0,0|2,0,0]=4 1313 B13R2.435 OC(=O)C1CC2C(N1)CCCC2 Amb2371208 [0,0,0,2,0,0|1,0,1]=4 1314 B13R2.435 OC(=O)C1CC2CCCCC2C1 Amb18647052 [0,0,0,2,0,0|0,0,2]=4 1315 B13R2.435 OC(=O)C1C[C@@H]2CCCC[C@@H]2C1 Amb24426257 [0,0,0,2,0,0|0,0,2]=4 1316 B13R2.435 OC(=O)C1C[C@@H]2CCCC[C@@H]2N1 Amb24184035 [0,0,0,2,0,0|1,0,1]=4 1317 B13R2.435 OC(=O)C=1CC2CCCCC2C1 Amb25137239 [0,0,0,2,0,0|0,0,0]=2 1318 B13R2.435 OC(=O)C=1C[C@@H]2CCCC[C@@H]2N1 Amb24078945 [0,0,0,2,0,0|1,0,0]=3 1319 B13R2.435 OC(=O)C=1C[C@H]2CCCC[C@@H]2C1 Amb25245273 [0,0,0,2,0,0|0,0,0]=2 1320 B13R2.435 OC(=O)[C@@H]1CC2CCCCC2N1 Amb22746110 [0,0,0,2,0,0|1,0,1]=4 1321 B13R2.435 OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1 Amb24606879 [0,0,0,2,0,0|1,0,1]=4 1322 B13R2.435 OC(=O)[C@@H]1C[C@@H]2[C@@H](N1)CCCC2 Amb16233005 [0,0,0,2,0,0|1,0,1]=4 1323 B13R2.435 OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1 Amb22752915 [0,0,0,2,0,0|1,0,1]=4 1324 B13R2.435 OC(=O)[C@@H]1C[C@H]2[C@@H](N1)CCCC2 Amb1157219 [0,0,0,2,0,0|1,0,1]=4 1325 B13R2.435 OC(=O)[C@H]1C[C@H]2CCCC[C@H]2N1 Amb24624093 [0,0,0,2,0,0|1,0,1]=4 1326 B13R2.3101 CC1CCCCC12CC2C(O)=O Amb18799104 [0,0,0,2,0,0|0,0,2]=4 1327 B13R2.3101 CC1CCCCC12OC2C(O)=O Amb25278083 [0,0,0,2,0,0|1,0,1]=4 1328 B13R2.5531 CC(=O)\C=C\C12CCCCC1O2 Amb24737549 [0,0,0,2,0,0|2,0,0]=4 1329 B13R2.5531 CC(=O)\C=C\[C@@]12CCCC[C@@H]1O2 Amb24614714 [0,0,0,2,0,0|2,0,0]=4 1330 B13R2.5881 OC(=O)CC1CC2CCCCC21 Amb25243282 [0,0,0,2,0,0|0,0,2]=4 1331 B13R2.5881 OC(=O)CN1CC2CCCCC12 Amb24717869 [0,0,0,2,0,0|1,0,1]=4 1332 B13R2.543 OC(=O)C=C1CC2CCCC2C1 Amb24390916 [0,0,0,2,0,0|0,0,0]=2 1333 B13R2.3732 CC1=CCC2C1CC=C2C(O)=O Amb25123212 [0,0,0,2,0,0|0,0,2]=4 1334 B13R2.3732 CC1=CC[C@H]2[C@@H]1CC=C2C(O)=O Amb25264444 [0,0,0,2,0,0|0,0,2]=4 1335 B13R2.11877 CC(=O)C1=CC[C@@H]2CC[C@H]1N2C Amb25213068 [0,0,0,2,0,0|2,0,0]=4 1336 B13R2.11877 CN1C2CCC1C(=CC2)C(=O)O Amb17594175 [0,0,0,2,0,0|1,0,0]=3 1337 B13R2.11877 CN1[C@@H]2CC[C@H]1CC=C2C(O)=O Amb24308644 [0,0,0,2,0,0|1,0,0]=3 1338 B13R2.11877 CN1[C@H]2CC[C@@H]1CC=C2C(O)=O Amb25264911 [0,0,0,2,0,0|1,0,0]=3 1339 B13R2.13923 CC(=O)C1=CCC2CCCC12O Amb25358924 [0,0,0,2,0,0|2,0,0]=4 1340 B13R2.4023 CC1=CC(=O)C2=CCCCCC21 Amb25807643 [0,0,0,2,0,0|1,0,1]=4 1341 B13R2.4023 CC1CC(=O)C2=CCCCCC21 Amb24357261 [0,0,0,2,0,0|1,0,0]=3 1342 B13R2.4746 CC12CCCCCC1NC(=O)O2 Amb24411559 [0,0,0,2,0,0|1,0,1]=4 1343 B13R2.218 O=C1CCCCC2CCCC2=C1 Amb24364204 [0,0,0,2,0,0|1,0,0]=3 1344 B13R2.2952 COCC12CCCC1=CC(=O)C2 Amb25718397 [0,0,0,2,0,0|2,0,0]=4 1345 B13R2.355 CC(=O)C=1C(O)CC2CCCC12 Amb24706960 [0,0,0,2,0,0|2,0,0]=4 1346 B13R2.13710 CC(=O)C1=CCCC2CCC1N2 Amb22369894 [0,0,0,2,0,0|2,0,0]=4 1347 B13R2.13710 CC(=O)C1=CCCC2CC[C@H]1N2 Amb25249767 [0,0,0,2,0,0|2,0,0]=4 1348 B13R2.13710 CC(=O)C1=CCC[C@@H]2CC[C@H]1N2 Amb19930310 [0,0,0,2,0,0|2,0,0]=4 1349 B13R2.13710 CC(=O)C1=CCC[C@@H]2CC[C@H]1N2 Amb24540557 [0,0,0,2,0,0|2,0,0]=4 1350 B13R2.5252 O=C1C=CCC[C@@H]2CCCC[C@H]12 Amb25179688 [0,0,0,2,0,0|1,0,0]=3 1351 B13R2.5252 O=C1CCCCC2CCCC=C12 Amb24416717 [0,0,0,2,0,0|1,0,0]=3 1352 B13R2.5252 O=C1CCCC[C@@H]2CCCC=C12 Amb25059719 [0,0,0,2,0,0|1,0,0]=3 1353 B13R2.423 OC(=O)C1CC1C2CCCCC2 Amb18960083 [0,0,0,2,0,0|0,0,2]=4 1354 B13R2.423 OC(=O)C1OC1C2CCCCC2 Amb24513773 [0,0,0,2,0,0|1,0,1]=4 1355 B13R2.437 OC(=O)C1NCC12CCCCC2 Amb24061108 [0,0,0,2,0,0|1,0,1]=4 1356 B13R2.442 OC(=O)CC1CC12CCCCC2 Amb25174683 [0,0,0,2,0,0|0,0,2]=4 1357 B13R2.5849 OC(=O)C#CC1C2CCCCC21 Amb25302579 [0,0,0,2,0,0|0,0,2]=4 1358 B13R2.5849 OC(=O)CCC1C2CCCCC21 Amb25339591 [0,0,0,2,0,0|0,0,2]=4 1359 B13R2.35 OC(=O)C1NCCC12CCCC2 Amb24061109 [0,0,0,2,0,0|1,0,1]=4 1360 B13R2.425 OC(=O)CC1CC1C2CCCC2 Amb25196111 [0,0,0,2,0,0|0,0,2]=4 1361 B13R2.5569 CC(=O)C1=CCCC2CCCC12 Amb24422925 [0,0,0,2,0,0|1,0,0]=3 1362 B13R2.5569 CC(=O)C=1CCCC2CCCC12 Amb24630727 [0,0,0,2,0,0|1,0,0]=3 1363 B13R2.5569 NC(=O)C1=CCCC2CCCC12 Amb25799002 [0,0,0,2,0,0|1,0,0]=3 1364 B13R2.5569 NC(=O)C=1CCCC2CCCC12 Amb24601828 [0,0,0,2,0,0|1,0,0]=3 1365 B13R2.5569 OC(=O)C1=CCCC2CC=CC12 Amb18646069 [0,0,0,2,0,0|0,0,2]=4 1366 B13R2.5569 OC(=O)C1=CCCC2CCCC12 Amb18646554 [0,0,0,2,0,0|0,0,0]=2 1367 B13R2.5569 OC(=O)C1=CCC[C@H]2CC=C[C@@H]12 Amb24511951 [0,0,0,2,0,0|0,0,2]=4 1368 B13R2.5569 OC(=O)C1CCCC2CCCN21 Amb25232742 [0,0,0,2,0,0|1,0,1]=4 1369 B13R2.5569 OC(=O)C=1CCCC2CCCC12 Amb25774511 [0,0,0,2,0,0|0,0,0]=2 1370 B13R2.5569 OC(=O)C=1CCCN2CCNC21 Amb18826588 [0,0,0,2,0,0|2,0,0]=4 1371 B13R2.5602 OC(=O)C1CCCC1C2CCC2 Amb25088475 [0,0,0,2,0,0|0,0,2]=4 1372 B13R2.5509 OC(=O)C1CC2CCCC1CC2 Amb24739745 [0,0,0,2,0,0|0,0,2]=4 1373 B13R2.5509 OC(=O)C1C[C@H]2CCC[C@@H]1CC2 Amb24692755 [0,0,0,2,0,0|0,0,2]=4 1374 B13R2.5509 OC(=O)[C@@H]1C[C@@H]2CCC[C@@H]1CC2 Amb24612095 [0,0,0,2,0,0|0,0,2]=4 1375 B13R2.5514 OC(=O)C1NCCCC1C2CC2 Amb25683479 [0,0,0,2,0,0|1,0,1]=4 1376 B13R2.13663 OC(=O)C12CCCCC1CCC2 Amb18646993 [0,0,0,2,0,0|0,0,2]=4 1377 B13R2.13663 OC(=O)[C@]12CCCC[C@H]1CCC2 Amb24588675 [0,0,0,2,0,0|0,0,2]=4 1378 B13R2.14125 OC(=O)CC12CCCC1CCC2 Amb25102487 [0,0,0,2,0,0|0,0,2]=4 1379 B13R2.14125 OC(=O)C[C@]12CCC[C@H]1CCC2 Amb24688806 [0,0,0,2,0,0|0,0,2]=4 1380 B13R2.5574 OC(=O)C1CCCC1CC2CC2 Amb25212499 [0,0,0,2,0,0|0,0,2]=4 1381 B13R2.13776 OC(=O)C1C2C1CCCCCC2 Amb10071664 [0,0,0,2,0,0|0,0,2]=4 1382 B13R2.13776 OC(=O)C1[C@H]2CCCCCC[C@H]21 Amb25783941 [0,0,0,2,0,0|0,0,2]=4 1383 B13R2.13776 OC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 Amb25088396 [0,0,0,2,0,0|0,0,2]=4 1384 B13R2.13687 OC(=O)C1CC12CCCCCC2 Amb18947399 [0,0,0,2,0,0|0,0,2]=4