0 B17R0.43 BrCCCCCCCCCCCCCCC(=O)O Amb16231526 [0,0,0,0,0,0|1,0,0]=1 1 B17R0.43 C#CCCCCCCCCCCCCCC(O)=O Amb22642012 [0,0,0,0,0,0|0,0,2]=2 2 B17R0.43 CCCCCCCCCCCCCCCC(=O)S Amb22056243 [0,0,0,0,0,0|0,1,0]=1 3 B17R0.43 CCCCCCCCCCCCCCCC(=S)O Amb15691801 [0,0,0,0,0,0|0,1,0]=1 4 B17R0.43 CCCCCCCCCCCCCCCC(C)C Amb22730066 [0,0,0,0,0,0|2,0,1]=3 5 B17R0.43 CCCCCCCCCCCCCCCC(O)=O Amb22348427 [0,0,0,0,0,0|0,0,0]=0 6 B17R0.43 CCCCCCCCCCCCCCCC(O)=O Amb22349954 [0,0,0,0,0,0|0,0,0]=0 7 B17R0.43 CCCCCCCCCCCCCCCC([O-])=O Amb22350518 [0,0,0,0,0,0|0,0,1]=1 8 B17R0.43 CCCCCCCCCCCCCCCC([O-])=O Amb22361255 [0,0,0,0,0,0|0,0,1]=1 9 B17R0.43 CCCCCCCCCCCCCCCC([O-])=O Amb22730103 [0,0,0,0,0,0|0,0,1]=1 10 B17R0.43 CCCCCCCCCCCCCCCC([O-])=O Amb22732179 [0,0,0,0,0,0|0,0,1]=1 11 B17R0.43 CCCCCCCCCCCCCCCC([O-])=O Amb22732274 [0,0,0,0,0,0|0,0,1]=1 12 B17R0.43 CCCCCCCCCCCCCCC[13C](O)=O Amb21928730 [0,0,0,0,0,0|0,0,0]=0 13 B17R0.43 CCCCCCCCCCCCCCC[13C]([O-])=O Amb22338989 [0,0,0,0,0,0|0,0,1]=1 14 B17R0.43 CCCCCCCCCCCCCCC[14C](O)=O Amb22352207 [0,0,0,0,0,0|0,0,0]=0 15 B17R0.43 CCCCCCCCCCCCCCOC(=O)Cl Amb22002450 [0,0,0,0,0,0|2,0,0]=2 16 B17R0.43 CCCCCCCCCCCCCC[13CH2]C(O)=O Amb22337967 [0,0,0,0,0,0|0,0,0]=0 17 B17R0.43 CCCCCCCCCCCCCC[13CH2][13C](O)=O Amb22363190 [0,0,0,0,0,0|0,0,0]=0 18 B17R0.43 CCCCCCCCCCCCC\C=C\C(O)=O Amb22732588 [0,0,0,0,0,0|0,0,2]=2 19 B17R0.43 CCCCCCCCCCCCOCCC(=S)N Amb13953231 [0,0,0,0,0,0|2,1,0]=3 20 B17R0.43 CCCCCCCCCCCCSCCC(=O)N Amb1150923 [0,0,0,0,0,0|2,0,0]=2 21 B17R0.43 CCCCCCCCCCCCSCCC(=O)O Amb1038996 [0,0,0,0,0,0|1,0,0]=1 22 B17R0.43 CCCCCCCCCCCC[13CH2][13CH2][13CH2][13C](O)=O Amb22369000 [0,0,0,0,0,0|0,0,0]=0 23 B17R0.43 CCCCCCCCC\C=C/CCCCC(O)=O Amb21928725 [0,0,0,0,0,0|0,0,2]=2 24 B17R0.43 CCCCCCCCSCCCCCCC(=O)O Amb1038998 [0,0,0,0,0,0|1,0,0]=1 25 B17R0.43 CCCCCCCC\C=C/CCCCCC(O)=O Amb21928726 [0,0,0,0,0,0|0,0,2]=2 26 B17R0.43 CCCCCCCC\C=C\CCCCOC(C)=O Amb22731395 [0,0,0,0,0,0|2,0,2]=4 27 B17R0.43 CCCCCC\C=C/CCCCCCCC(=O)Cl Amb22734795 [0,0,0,0,0,0|1,0,2]=3 28 B17R0.43 CCCCCC\C=C\CCCCCCCC(O)=O Amb22729016 [0,0,0,0,0,0|0,0,2]=2 29 B17R0.43 CCCCCC\C=C\CCCCCCOC(C)=O Amb22730262 [0,0,0,0,0,0|2,0,2]=4 30 B17R0.43 CCCC\C=C/CCCCCCCCCC(O)=O Amb21928729 [0,0,0,0,0,0|0,0,2]=2 31 B17R0.43 CCCC\C=C\CCCCCCCCOC(C)=O Amb22740025 [0,0,0,0,0,0|2,0,2]=4 32 B17R0.43 CCC\C=C/CCCCCCCCCOC(=O)C Amb17620432 [0,0,0,0,0,0|2,0,2]=4 33 B17R0.43 CC\C=C\CCCCCCCCCCOC(C)=O Amb22232286 [0,0,0,0,0,0|2,0,2]=4 34 B17R0.43 C\C=C/CCCCCCCCCCCOC(C)=O Amb22740026 [0,0,0,0,0,0|2,0,2]=4 35 B17R0.43 C\C=C\CCCCCCCCCCCOC(C)=O Amb22740027 [0,0,0,0,0,0|2,0,2]=4 36 B17R0.43 OC(=O)CCCCCCCCCCCCCCS Amb22336885 [0,0,0,0,0,0|1,0,0]=1 37 B17R0.43 [13CH3]CCCCCCCCCCCCCCC(O)=O Amb22367411 [0,0,0,0,0,0|0,0,0]=0 38 B17R0.43 [13CH3]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C(O)=O Amb22367412 [0,0,0,0,0,0|0,0,0]=0 39 B17R0.43 [13CH3]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C([O-])=O Amb22362703 [0,0,0,0,0,0|0,0,1]=1 40 B17R0.43 [13CH3][13CH2]CCCCCCCCCCCCCC(O)=O Amb22367398 [0,0,0,0,0,0|0,0,0]=0 41 B17R0.43 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](O)=O Amb22353663 [0,0,0,0,0,0|0,0,0]=0 42 B16R0.274 C=CCCCCCCCCCCCCC(O)=O Amb22489917 [1,0,0,0,0,0|0,0,2]=3 43 B16R0.274 CCCCCCCCCCCCCCC(C)=O Amb22055377 [1,0,0,0,0,0|1,0,0]=2 44 B16R0.274 CCCCCCCCCCCCCOC(C)=O Amb22352318 [1,0,0,0,0,0|2,0,0]=3 45 B16R0.274 CCCCCCCCCCCCSCC(=O)O Amb1085920 [1,0,0,0,0,0|1,0,0]=2 46 B16R0.274 CCCCCCCCCCNCCCC(O)=O Amb20622364 [1,0,0,0,0,0|1,0,0]=2 47 B16R0.274 CCCCCCCCCCNCCCC(O)=O Amb22059079 [1,0,0,0,0,0|1,0,0]=2 48 B16R0.274 CCCCCCCCCCNCCNC(C)=O Amb23912984 [1,0,0,0,0,0|3,0,0]=4 49 B16R0.274 CCCCCC\C=C/CCCCCCC(C)=O Amb21617902 [1,0,0,0,0,0|1,0,2]=4 50 B16R0.274 CCCC\C=C/CCCCCCCCC(O)=O Amb21929003 [1,0,0,0,0,0|0,0,2]=3 51 B16R0.274 CCCC\C=C\CCCCCCCCC(O)=O Amb21929004 [1,0,0,0,0,0|0,0,2]=3 52 B16R0.274 OCCCCCCCCCCCCCC(O)=O Amb22489916 [1,0,0,0,0,0|1,0,0]=2 53 B16R0.303 C=CCCCCCCCCCCCCCC=C Amb22641570 [1,0,0,0,0,0|1,0,2]=4 54 B16R0.303 CCCCCCC#CCCCCCCCCO Amb10807577 [1,0,0,0,0,0|0,0,3]=4 55 B16R0.303 CCCCCCCCCCCCCCCC#C Amb1056543 [1,0,0,0,0,0|1,0,1]=3 56 B16R0.303 CCCCCCCCCCCCCCCCF Amb16185885 [1,0,0,0,0,0|1,0,1]=3 57 B16R0.303 CCCCCCCCCCCCCCCCN Amb10571100 [1,0,0,0,0,0|1,0,1]=3 58 B16R0.303 CCCCCCCCCCCCCCCCN Amb10571104 [1,0,0,0,0,0|1,0,1]=3 59 B16R0.303 CCCCCCCCCCCCCCCCN Amb22731168 [1,0,0,0,0,0|1,0,1]=3 60 B16R0.303 CCCCCCCCCCCCCCC[Mg]Br Amb22366871 [1,0,0,0,0,0|2,0,0]=3 61 B16R0.303 CCCCCCCCCCCCCCN=C=O Amb10070640 [1,0,0,0,0,0|1,0,1]=3 62 B16R0.303 CCCCCCCCCCCCCCN=C=S Amb19883892 [1,0,0,0,0,0|1,1,1]=4 63 B16R0.303 CCCCCCCCCCCCC\C=C\C=O Amb17614921 [1,0,0,0,0,0|0,0,2]=3 64 B16R0.303 CCCCCCCCCCCCNCCCN Amb16234107 [1,0,0,0,0,0|2,0,1]=4 65 B16R0.303 CCCCCCCCCCCC\C=C/OC=O Amb22732338 [1,0,0,0,0,0|1,0,2]=4 66 B16R0.303 CCCCCCCCCCNCCCOC=C Amb23913012 [1,0,0,0,0,0|3,0,0]=4 67 B16R0.303 CCCCCCCCCC\C=C\CCCCO Amb22740013 [1,0,0,0,0,0|0,0,3]=4 68 B16R0.303 CCCCCCCC[Sn+2]CCCCCCCC Amb22045808 [1,0,0,0,0,0|2,0,1]=4 69 B16R0.303 CCCCCCCC[Sn+2]CCCCCCCC Amb22053690 [1,0,0,0,0,0|2,0,1]=4 70 B16R0.303 CCCCCCCC[Sn+2]CCCCCCCC Amb22734718 [1,0,0,0,0,0|2,0,1]=4 71 B16R0.303 CCCCCCCC\C=C/CCCCCC=O Amb22732373 [1,0,0,0,0,0|0,0,2]=3 72 B16R0.303 CCCCCCCC\C=C/CCCCCCO Amb22740009 [1,0,0,0,0,0|0,0,3]=4 73 B16R0.303 CCCCCC\C=C/CCCCCCCCO Amb22362811 [1,0,0,0,0,0|0,0,3]=4 74 B16R0.303 CCCCCC\C=C\CCCCCCCCO Amb22740012 [1,0,0,0,0,0|0,0,3]=4 75 B16R0.303 CCCCC\C=C/CCCCCCCCCO Amb22740010 [1,0,0,0,0,0|0,0,3]=4 76 B16R0.303 CCCCC\C=C\CCCCCCCCC=O Amb22055379 [1,0,0,0,0,0|0,0,2]=3 77 B16R0.303 CCCCC\C=C\CCCCCCCCCO Amb22740011 [1,0,0,0,0,0|0,0,3]=4 78 B16R0.303 CCCC\C=C/CCCCCCCCCC=O Amb10807576 [1,0,0,0,0,0|0,0,2]=3 79 B16R0.303 CCCC\C=C/CCCCCCCCCCO Amb13883678 [1,0,0,0,0,0|0,0,3]=4 80 B16R0.303 CCCC\C=C/CCCCCCCCOC=O Amb22740028 [1,0,0,0,0,0|1,0,2]=4 81 B16R0.303 CCCC\C=C\CCCCCCCCCCO Amb13883679 [1,0,0,0,0,0|0,0,3]=4 82 B16R0.303 OCCCCCCCCCCCCCCCBr Amb1818124 [1,0,0,0,0,0|1,0,1]=3 83 B16R0.303 OCCCCCCCCCCCCCCCO Amb1806643 [1,0,0,0,0,0|1,0,1]=3 84 B16R0.303 [2H]CCCCCCCCCCCCCCCC Amb22351632 [1,0,0,0,0,0|1,0,1]=3 85 B18R0.114 CCC(C)CCCCCCCCCCCCC(O)=O Amb21928810 [0,1,0,0,0,0|0,0,0]=1 86 B18R0.114 OC(=O)CCCCCCCCCCCCC(F)CBr Amb22547627 [0,1,0,0,0,0|1,0,0]=2 87 B18R0.127 CCCCCCC(C)CCCCCCCCC(O)=O Amb21928809 [0,1,0,0,0,0|0,0,0]=1 88 B18R0.171 CCCCCCCCCCCCCCNC(=O)CCl Amb22345972 [0,1,0,0,0,0|2,0,0]=3 89 B18R0.171 CCCCCCCCCCCCCCOC(=O)C=C Amb24325453 [0,1,0,0,0,0|2,0,0]=3 90 B18R0.171 CCCCCCCCC\C=C/CCCCC(=O)OC Amb21928728 [0,1,0,0,0,0|0,0,2]=3 91 B18R0.171 CCCCCCCC\C=C/CCCCCC(=O)OC Amb21928815 [0,1,0,0,0,0|0,0,2]=3 92 B18R0.171 CCCCCC\C=C/CCCCCCCC(=O)OC Amb22263078 [0,1,0,0,0,0|0,0,2]=3 93 B18R0.171 CCCCCC\C=C\CCCCCCCC(=O)OC Amb22352262 [0,1,0,0,0,0|0,0,2]=3 94 B18R0.171 CCCC\C=C\CCCCCCCCCC(=O)OC Amb22264661 [0,1,0,0,0,0|0,0,2]=3 95 B18R0.171 COC(=O)CCCCCCCCCCCCCCO Amb21928838 [0,1,0,0,0,0|1,0,0]=2 96 B18R0.171 OCCCCCCCCCCCCCCC(=O)NN Amb1778664 [0,1,0,0,0,0|2,0,0]=3 97 B18R0.174 CCCCCCCCCCCCCCC(Br)C(O)=O Amb17836476 [0,1,0,0,0,0|0,0,0]=1 98 B18R0.174 CCCCCCCCCCCCCCC(C)C(O)=O Amb22731051 [0,1,0,0,0,0|0,0,0]=1 99 B18R0.174 CCCCCCCCCCCCCCC(F)C(O)=O Amb22489952 [0,1,0,0,0,0|0,0,0]=1 100 B18R0.174 CCCCCCCCCCCCCCC(N)C(O)=O Amb21520308 [0,1,0,0,0,0|0,0,0]=1 101 B18R0.174 CCCCCCCCCCCCSC[C@@H](N)C(O)=O Amb23926718 [0,1,0,0,0,0|1,0,0]=2 102 B18R0.176 C=CCCCCCCCCCCCCCCC(=O)O Amb10071540 [0,1,0,0,0,0|0,0,1]=2 103 B18R0.176 CC(C)CCCCCCCCCCCCCCCO Amb22348069 [0,1,0,0,0,0|2,0,1]=4 104 B18R0.176 CCCCC#CC#CCCCCCCCCC(O)=O Amb22731134 [0,1,0,0,0,0|0,0,3]=4 105 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl Amb20672053 [0,1,0,0,0,0|1,0,0]=2 106 B18R0.176 CCCCCCCCCCCCCCCCC(C)=O Amb22350513 [0,1,0,0,0,0|1,0,0]=2 107 B18R0.176 CCCCCCCCCCCCCCCCC(C)C Amb22730065 [0,1,0,0,0,0|2,0,1]=4 108 B18R0.176 CCCCCCCCCCCCCCCCC(O)=O Amb22338458 [0,1,0,0,0,0|0,0,0]=1 109 B18R0.176 CCCCCCCCCCCCCCCCC([O-])=O Amb22357986 [0,1,0,0,0,0|0,0,1]=2 110 B18R0.176 CCCCCCCCCCCCCCCCC([O-])=O Amb22728751 [0,1,0,0,0,0|0,0,1]=2 111 B18R0.176 CCCCCCCCCCCCCCCOC(C)=O Amb22350236 [0,1,0,0,0,0|1,0,0]=2 112 B18R0.176 CCCCCC\C=C\CCCCCCCCC(O)=O Amb21928721 [0,1,0,0,0,0|0,0,1]=2 113 B18R0.176 OC(=O)CCCCCCCCCCCCCCCS Amb22336970 [0,1,0,0,0,0|0,0,0]=1 114 B18R0.182 CCCCCCCCCCCCCCCP(O)(O)=O Amb22831962 [0,1,0,0,0,0|1,0,0]=2 115 B18R0.182 CCCCCCCCCCCCCCCS([O-])(=O)=O Amb22734042 [0,1,0,0,0,0|1,0,1]=3 116 B18R0.182 CCCCCCCCCCCCCCOS(C)(=O)=O Amb22366144 [0,1,0,0,0,0|2,0,1]=4 117 B18R0.182 CCCCCCCCCCCCCCOS(O)(=O)=O Amb22351915 [0,1,0,0,0,0|2,0,0]=3 118 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)[O-] Amb15772271 [0,1,0,0,0,0|2,0,1]=4 119 B18R0.220 CCCCCCCCCCCCCC(O)CC(O)=O Amb21928751 [0,1,0,0,0,0|0,0,0]=1 120 B18R0.974 CC(C)CCCCCCCCCCCCCC(O)=O Amb21928811 [0,1,0,0,0,0|0,0,0]=1 121 B18R0.974 CC(C)CCCCCCCCCCCCNC(C)=O Amb22054615 [0,1,0,0,0,0|2,0,0]=3 122 B18R0.974 OC(=O)CCCCCCCCCCCCCC(=O)O Amb10807608 [0,1,0,0,0,0|1,0,1]=3 123 B18R0.7250 NCCCCCCC(=O)NCCCCCCC(O)=O Amb20668422 [0,1,0,0,0,0|2,0,1]=4 124 B18R0.7250 NCCCCCCC(=O)NCCCCCCC(O)=O Amb22058895 [0,1,0,0,0,0|2,0,1]=4 125 B18R0.11628 CCCCCCCCCC(=O)NCCCCC(=O)O Amb1017171 [0,1,0,0,0,0|1,0,1]=3 126 B18R0.17430 CCCCCCCCCCC(O)CCCCC(O)=O Amb23496195 [0,1,0,0,0,0|0,0,0]=1 127 B18R0.19183 CCCCCCCCCCCCS(=O)CCC(=O)O Amb1085922 [0,1,0,0,0,0|1,0,0]=2 128 B18R1.1260 CCCCCCCCCCCCN1C[C@@H](O)CC1 Amb24020246 [0,0,0,1,0,0|2,0,1]=4 129 B18R1.5438 CCCCOCCNCC1CCCCC1C(O)=O Amb24013592 [0,0,0,1,0,0|2,0,0]=3 130 B18R1.13791 O=C1CCCCCC=CCCCCCCCCO1 Amb22168166 [0,0,0,1,0,0|0,0,2]=3 131 B18R1.13791 O=C1CCCCCCCCOCCCCCCO1 Amb22489915 [0,0,0,1,0,0|1,0,0]=2 132 B18R1.13791 O=C1CCCCCCC\C=C/CCCCCCC1 Amb17596900 [0,0,0,1,0,0|1,0,2]=4 133 B18R1.13791 OC1CCCCCCCCCCCCCCCC1 Amb22448679 [0,0,0,1,0,0|1,0,1]=3 134 B18R1.17819 OC(=O)CCCCCCCCCCC1CCC1=O Amb17618954 [0,0,0,1,0,0|1,0,1]=3 135 B15R0.70 BrCCCCCCCCCCCCCCBr Amb17671945 [2,0,0,0,0,0|2,0,0]=4 136 B15R0.70 C#CCCCCCCCCCCCCCO Amb22002151 [2,0,0,0,0,0|0,0,2]=4 137 B15R0.70 CCCCCCCCCCCCCCC#N Amb22733759 [2,0,0,0,0,0|1,0,1]=4 138 B15R0.70 CCCCCCCCCCCCCCC=O Amb16233570 [2,0,0,0,0,0|0,0,0]=2 139 B15R0.70 CCCCCCCCCCCCCCCN Amb17674225 [2,0,0,0,0,0|1,0,0]=3 140 B15R0.70 CCCCCCCCCCCCCCCS Amb22368992 [2,0,0,0,0,0|0,1,0]=3 141 B15R0.70 CCCCCCCCCCCCCCC[14CH3] Amb22362847 [2,0,0,0,0,0|0,0,1]=3 142 B15R0.70 CCCCCCCCCCCCCC[13CH2][13CH3] Amb22353215 [2,0,0,0,0,0|0,0,1]=3 143 B15R0.70 CCCCCCCCCCCCCC[Hg]Br Amb22347119 [2,0,0,0,0,0|2,0,0]=4 144 B15R0.70 CCCCCCCCCCCCCC[Hg]Cl Amb22359874 [2,0,0,0,0,0|2,0,0]=4 145 B15R0.70 CCCCCCCCCCCCCC[Mg]Cl Amb22337983 [2,0,0,0,0,0|2,0,0]=4 146 B15R0.70 CCCCCCCCCCCCSCCC Amb22347263 [2,0,0,0,0,0|1,0,1]=4 147 B15R0.70 CCCCCCCCCCCCSCCO Amb1085984 [2,0,0,0,0,0|1,0,0]=3 148 B15R0.70 CCCCCCCCCCOCCCCO Amb2099477 [2,0,0,0,0,0|1,0,0]=3 149 B15R0.70 CCCCCCCCCNCCCCCC Amb17308746 [2,0,0,0,0,0|1,0,1]=4 150 B15R0.70 CCCCCCCCNCCCCCCC Amb20077794 [2,0,0,0,0,0|1,0,1]=4 151 B15R0.70 OCCCCCCCCCCCCCCS Amb21927979 [2,0,0,0,0,0|1,0,0]=3 152 B15R0.70 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH3] Amb22336956 [2,0,0,0,0,0|0,0,1]=3 153 B15R0.164 C#CCCCCCCCCCCCC(O)=O Amb22642011 [2,0,0,0,0,0|0,0,2]=4 154 B15R0.164 CCCCCCCCCCCCCC(=C)Br Amb19886462 [2,0,0,0,0,0|2,0,0]=4 155 B15R0.164 CCCCCCCCCCCCCC(C)=C Amb19886459 [2,0,0,0,0,0|2,0,0]=4 156 B15R0.164 CCCCCCCCCCCCCC(C)=O Amb21962426 [2,0,0,0,0,0|1,0,0]=3 157 B15R0.164 CCCCCCCCCCCCCC([O-])=O Amb22348346 [2,0,0,0,0,0|0,0,1]=3 158 B15R0.164 CCCCCCCCCCCCCC([O-])=O Amb22730152 [2,0,0,0,0,0|0,0,1]=3 159 B15R0.164 CCCCCCCCCCCCC[13C](=O)Cl Amb22367510 [2,0,0,0,0,0|1,0,0]=3 160 B15R0.164 CCCCCCCCCCCCC[13C](O)=O Amb22351789 [2,0,0,0,0,0|0,0,0]=2 161 B15R0.164 CCCCCCCCCCCCNC(=O)C Amb10560436 [2,0,0,0,0,0|2,0,0]=4 162 B15R0.164 CCCCCCCCCCCCOC(=O)Cl Amb22002629 [2,0,0,0,0,0|2,0,0]=4 163 B15R0.164 CCCCCCCCCCCC[13CH2][13C](O)=O Amb22338404 [2,0,0,0,0,0|0,0,0]=2 164 B15R0.164 CCCCCCCCCCNCCC(O)=O Amb20630815 [2,0,0,0,0,0|1,0,0]=3 165 B15R0.164 CCCCCCCCCCNCCC(O)=O Amb22059078 [2,0,0,0,0,0|1,0,0]=3 166 B15R0.164 CCCCCCCCCCSCCC(=O)O Amb1036580 [2,0,0,0,0,0|1,0,0]=3 167 B15R0.164 CCCCCCCCSCCCCC(=O)O Amb1038997 [2,0,0,0,0,0|1,0,0]=3 168 B15R0.164 CCCC\C=C\CCCCCCCC(O)=O Amb22350221 [2,0,0,0,0,0|0,0,2]=4 169 B15R0.164 CNCCCCCCCCCCCC(O)=O Amb22350069 [2,0,0,0,0,0|1,0,0]=3 170 B15R0.164 OCCCCCCCCCCCCC(O)=O Amb21935785 [2,0,0,0,0,0|1,0,0]=3 171 B15R0.164 ONCCCCCCCCCCCC(O)=O Amb22364339 [2,0,0,0,0,0|2,0,0]=4 172 B15R0.164 [13CH3]CCCCCCCCCCCCC(O)=O Amb22367443 [2,0,0,0,0,0|0,0,0]=2 173 B17R0.38 CCCCCCCCCCC(=O)CCCC(=O)O Amb2228129 [1,1,0,0,0,0|0,0,1]=3 174 B17R0.116 CCCCCCCCCCCCC(O)CC(O)=O Amb21928756 [1,1,0,0,0,0|0,0,0]=2 175 B17R0.195 CCCCCCCCCCCCCCC(=O)CBr Amb22047393 [1,1,0,0,0,0|1,0,0]=3 176 B17R0.195 CCCCCCCCCCCCCCC(CO)N Amb16236232 [1,1,0,0,0,0|1,0,1]=4 177 B17R0.195 CCCCCCCCCCCCCCC(O)CO Amb17940830 [1,1,0,0,0,0|0,0,2]=4 178 B17R0.195 CCCCCCCCCCCCCCN(N=O)C Amb17618598 [1,1,0,0,0,0|2,0,0]=4 179 B17R0.195 CCCCCCCCCCCCCC[C@@H](O)CO Amb22801196 [1,1,0,0,0,0|0,0,2]=4 180 B17R0.195 CCCCCCCCCCCCCNC(=O)CCl Amb22345971 [1,1,0,0,0,0|2,0,0]=4 181 B17R0.195 CCCCCCCCCCCCCOC(=O)C=C Amb22733941 [1,1,0,0,0,0|2,0,0]=4 182 B17R0.195 CCCCCCCCCCNCCCC(=O)OC Amb20622600 [1,1,0,0,0,0|1,0,0]=3 183 B17R0.195 CCCCCCCCCCNCCCC(=O)OC Amb22157193 [1,1,0,0,0,0|1,0,0]=3 184 B17R0.195 CCCC\C=C/CCCCCCCCC(=O)OC Amb21928878 [1,1,0,0,0,0|0,0,2]=4 185 B17R0.195 CCCC\C=C\CCCCCCCCC(=O)OC Amb21928879 [1,1,0,0,0,0|0,0,2]=4 186 B17R0.197 CCCCCCCCCCCCCCP(O)(O)=O Amb22053907 [1,1,0,0,0,0|1,0,0]=3 187 B17R0.197 CCCCCCCCCCCCCCS([O-])(=O)=O Amb22045174 [1,1,0,0,0,0|1,0,1]=4 188 B17R0.197 CCCCCCCCCCCCCOP(O)(O)=O Amb22353159 [1,1,0,0,0,0|2,0,0]=4 189 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)O Amb17613849 [1,1,0,0,0,0|1,0,1]=4 190 B17R0.1713 C=C(F)CCCCCCCCCCCCC(O)=O Amb22547624 [1,1,0,0,0,0|0,0,2]=4 191 B17R0.1713 CC(=O)CCCCCCCCCCCCC(=O)C Amb10602505 [1,1,0,0,0,0|1,0,1]=4 192 B17R0.1713 CC(CCCCCC\C=C/CCCCC(=O)O)C Amb15770008 [1,1,0,0,0,0|0,0,2]=4 193 B17R0.14363 CCC(=O)CCCCCCCCCCCC(O)=O Amb22347589 [1,1,0,0,0,0|0,0,1]=3 194 B17R0.14363 CCC(C)CCCCCCCCCCCC(O)=O Amb21928870 [1,1,0,0,0,0|0,0,0]=2 195 B17R0.14363 CCC(C)CCCCC\C=C/CCCCC(O)=O Amb19928281 [1,1,0,0,0,0|0,0,2]=4 196 B17R0.104 CCCCCCCCC(CCCCCCCC)Br Amb10555609 [1,1,0,0,0,0|1,0,1]=4 197 B17R0.117 BrCCCCCCCCCCCCCCCCBr Amb22388776 [1,1,0,0,0,0|1,0,1]=4 198 B17R0.117 C=CCCCCCCCCCCCCCCC=C Amb22641571 [1,1,0,0,0,0|1,0,1]=4 199 B17R0.117 CCCCCCCCCCCCCCCCC#N Amb22366784 [1,1,0,0,0,0|1,0,1]=4 200 B17R0.117 CCCCCCCCCCCCCCCCC=C Amb22730877 [1,1,0,0,0,0|1,0,0]=3 201 B17R0.117 CCCCCCCCCCCCCCCCC=O Amb17939324 [1,1,0,0,0,0|0,0,0]=2 202 B17R0.117 CCCCCCCCCCCCCCCCCC Amb22338200 [1,1,0,0,0,0|1,0,1]=4 203 B17R0.117 CCCCCCCCCCCCCCCCCN Amb17674227 [1,1,0,0,0,0|1,0,1]=4 204 B17R0.117 CCCCCCCCCCCCCCCCC[14CH3] Amb22731702 [1,1,0,0,0,0|1,0,1]=4 205 B17R0.117 CCCCCCCCCCCCCCCCNC Amb22369363 [1,1,0,0,0,0|1,0,1]=4 206 B17R0.117 CCCCCCCCCCCCCCCC[Hg]Br Amb22347120 [1,1,0,0,0,0|1,0,1]=4 207 B17R0.117 CCCCCCCCCCCCCCCN=C=O Amb22351995 [1,1,0,0,0,0|0,0,1]=3 208 B17R0.117 CCCCCCCCCCCCNCCCSC Amb23913011 [1,1,0,0,0,0|2,0,0]=4 209 B17R0.117 ClCCCCCCCCCCCCCCCCBr Amb22369179 [1,1,0,0,0,0|1,0,1]=4 210 B17R0.117 OCCCCCCCCCCCCCCCCO Amb21936051 [1,1,0,0,0,0|0,0,1]=3 211 B17R0.117 OCCCCCCCCCCCCCCCCS Amb2447019 [1,1,0,0,0,0|0,0,1]=3 212 B17R0.117 SCCCCCCCCCCCCCCCCS Amb20672054 [1,1,0,0,0,0|0,1,1]=4 213 B17R0.196 CCCCC(O)CCCCCCCCCCCC Amb23998011 [1,1,0,0,0,0|1,0,1]=4 214 B17R0.196 CCCCCCCCCCCCC(O)CCOC Amb23968710 [1,1,0,0,0,0|2,0,0]=4 215 B17R0.196 CCCCCCCCCCCCC(O)CCSC Amb23998020 [1,1,0,0,0,0|2,0,0]=4 216 B17R0.250 CCCCCCCCCCCCCC(N)CCC Amb23967700 [1,1,0,0,0,0|1,0,1]=4 217 B19R0.38259 CCCC[N+](CCCCCCCCCCC(=O)O)(C)C Amb16204297 [0,2,0,0,0,0|1,0,0]=3 218 B19R0.26214 CCCCCCCCCC(=O)NCCCCCC(=O)O Amb1039625 [0,2,0,0,0,0|0,0,1]=3 219 B19R0.3040 CCCC(F)CCCCCCCSCCCCC(O)=O Amb20241157 [0,2,0,0,0,0|0,0,0]=2 220 B19R0.21221 CCC(C)CCCCCCCCCCCCC(=O)OC Amb21928856 [0,2,0,0,0,0|0,0,0]=2 221 B19R0.21221 COC(=O)CCCCCCCCCCCCC(=O)OC Amb21928654 [0,2,0,0,0,0|1,0,1]=4 222 B19R0.14260 CCCCCCC(C)CCCCCCCCC(=O)OC Amb21928855 [0,2,0,0,0,0|0,0,0]=2 223 B19R0.26168 [2H]C(CCCCCCCC(O)=O)C([2H])CCCCCC Amb21928734 [0,2,0,0,0,0|0,0,0]=2 224 B19R0.148 BrCCCCCCCCCCCCCCCC(=O)OC Amb10071547 [0,2,0,0,0,0|0,0,0]=2 225 B19R0.148 CCCCCCCCCCCCCCCCC(=O)C=C Amb10562279 [0,2,0,0,0,0|1,0,0]=3 226 B19R0.148 CCCCCCCCCCCCCCCC[C@@H](O)CO Amb22799651 [0,2,0,0,0,0|0,0,2]=4 227 B19R0.148 CCCCCCCCCC\C=C/CCCCC(=O)OC Amb22731087 [0,2,0,0,0,0|0,0,1]=3 228 B19R0.148 CCCCCC\C=C/CCCCCCCCC(=O)OC Amb22352444 [0,2,0,0,0,0|0,0,1]=3 229 B19R0.153 CC(=C)C(=O)OCCCCCCCCCCCCCC Amb22730906 [0,2,0,0,0,0|2,0,0]=4 230 B19R0.182 CCCCCCCCCCCCCCCC(=O)OC=C Amb17672566 [0,2,0,0,0,0|0,0,0]=2 231 B19R0.182 CCCCCC\C=C\CCCCCCCC(=O)OCC Amb22352470 [0,2,0,0,0,0|0,0,2]=4 232 B19R0.182 CCOC(=O)\C=C\CCCCCCCCCCCCC Amb22055378 [0,2,0,0,0,0|0,0,2]=4 233 B19R0.3096 CCCCCCCCCCCCCC(O)CC(=O)OC Amb21928830 [0,2,0,0,0,0|0,0,0]=2 234 B19R0.21384 CCC(C)CCCCCCCCCCCCCC(O)=O Amb21928806 [0,2,0,0,0,0|0,0,0]=2 235 B19R0.21384 COC(=O)CCCCCCCCCCCCCC(C)C Amb21928857 [0,2,0,0,0,0|0,0,0]=2 236 B19R0.25650 CCCCCCCCCCCCCCC(O)C(=O)OC Amb21928829 [0,2,0,0,0,0|0,0,0]=2 237 B19R0.25650 CCCCCCCCCCCCSCC(C(=O)OC)C Amb10669602 [0,2,0,0,0,0|1,0,0]=3 238 B19R0.25811 CCCCCCCCCCCCCCCC(OC)OC Amb17940230 [0,2,0,0,0,0|0,0,2]=4 239 B19R0.25812 [2H]C([2H])(CCCCCCCCCCCCCC)C(O)=O Amb21928732 [0,2,0,0,0,0|0,0,0]=2 240 B19R0.25812 [2H]C([2H])(CCCCCCCCCCCCCC)C([O-])=O Amb22353370 [0,2,0,0,0,0|0,0,1]=3 241 B19R0.35 CCCCCCCCCCCCCCC(O)CC(O)=O Amb21928750 [0,2,0,0,0,0|0,0,0]=2 242 B19R0.149 C#CCCCCCCCCCCCCCCCC(O)=O Amb19930518 [0,2,0,0,0,0|0,0,0]=2 243 B19R0.149 CCCCCC#CC#CCCCCCCCCC(=O)O Amb1149480 [0,2,0,0,0,0|0,0,2]=4 244 B19R0.149 CCCCCC#CCCCCCCCCCCC(O)=O Amb22350041 [0,2,0,0,0,0|0,0,0]=2 245 B19R0.149 CCCCCC#CC\C=C/CCCCCCCC(O)=O Amb21928954 [0,2,0,0,0,0|0,0,2]=4 246 B19R0.149 CCCCCC=CC=CCCCCCCCCC(=O)O Amb17611313 [0,2,0,0,0,0|0,0,2]=4 247 B19R0.149 CCCCCCCCCCC#CCCCCCC(=O)O Amb10072581 [0,2,0,0,0,0|0,0,0]=2 248 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl Amb16232724 [0,2,0,0,0,0|1,0,0]=3 249 B19R0.149 CCCCCCCCCCCCCCCCCC(C)O Amb22369070 [0,2,0,0,0,0|1,0,1]=4 250 B19R0.149 CCCCCCCCCCCCCCCCCC(N)=S Amb22359769 [0,2,0,0,0,0|1,1,0]=4 251 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22336663 [0,2,0,0,0,0|0,0,0]=2 252 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22352822 [0,2,0,0,0,0|0,0,0]=2 253 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22353520 [0,2,0,0,0,0|0,0,0]=2 254 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22360658 [0,2,0,0,0,0|0,0,0]=2 255 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22360670 [0,2,0,0,0,0|0,0,0]=2 256 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22731026 [0,2,0,0,0,0|0,0,0]=2 257 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22735002 [0,2,0,0,0,0|0,0,0]=2 258 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb20246452 [0,2,0,0,0,0|0,0,1]=3 259 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb21962914 [0,2,0,0,0,0|0,0,1]=3 260 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22045499 [0,2,0,0,0,0|0,0,1]=3 261 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22052433 [0,2,0,0,0,0|0,0,1]=3 262 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22168327 [0,2,0,0,0,0|0,0,1]=3 263 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22276139 [0,2,0,0,0,0|0,0,1]=3 264 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22360648 [0,2,0,0,0,0|0,0,1]=3 265 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22552492 [0,2,0,0,0,0|0,0,1]=3 266 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22729061 [0,2,0,0,0,0|0,0,1]=3 267 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22729091 [0,2,0,0,0,0|0,0,1]=3 268 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22730641 [0,2,0,0,0,0|0,0,1]=3 269 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22730931 [0,2,0,0,0,0|0,0,1]=3 270 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22731292 [0,2,0,0,0,0|0,0,1]=3 271 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22731742 [0,2,0,0,0,0|0,0,1]=3 272 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22732275 [0,2,0,0,0,0|0,0,1]=3 273 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22732705 [0,2,0,0,0,0|0,0,1]=3 274 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22733869 [0,2,0,0,0,0|0,0,1]=3 275 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22733890 [0,2,0,0,0,0|0,0,1]=3 276 B19R0.149 CCCCCCCCCCCCCCCCC[13C](=O)O Amb17620144 [0,2,0,0,0,0|0,0,0]=2 277 B19R0.149 CCCCCCCCCCCCCCCCC[14C](O)=O Amb22352519 [0,2,0,0,0,0|0,0,0]=2 278 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)Cl Amb19944676 [0,2,0,0,0,0|1,0,0]=3 279 B19R0.149 CCCCCCCCCCCCCCCCSC(C)=O Amb22345982 [0,2,0,0,0,0|1,0,0]=3 280 B19R0.149 CCCCCCCCCCCCCCCC[13CH2]C(O)=O Amb22367350 [0,2,0,0,0,0|0,0,0]=2 281 B19R0.149 CCCCCCCCCCCCCCCC[13CH2][13C](O)=O Amb22367511 [0,2,0,0,0,0|0,0,0]=2 282 B19R0.149 CCCCCCCCCCCCC\C=C\C=C\C(O)=O Amb22001612 [0,2,0,0,0,0|0,0,2]=4 283 B19R0.149 CCCCCCCCCCCCSCCCCC(=O)O Amb1150949 [0,2,0,0,0,0|0,0,0]=2 284 B19R0.149 CCCCCCCCCCC\C=C/CCCCC(O)=O Amb22350254 [0,2,0,0,0,0|0,0,0]=2 285 B19R0.149 CCCCCCCCCCC\C=C\CCCCC(O)=O Amb22732392 [0,2,0,0,0,0|0,0,0]=2 286 B19R0.149 CCCCCCCCCC\C=C\CCCCOC(C)=O Amb22740021 [0,2,0,0,0,0|1,0,1]=4 287 B19R0.149 CCCCCCCCC\C=C/CCCCCCC(O)=O Amb21928953 [0,2,0,0,0,0|0,0,0]=2 288 B19R0.149 CCCCCCCCC\C=C/C\C=C/CCCC(O)=O Amb21928939 [0,2,0,0,0,0|0,0,2]=4 289 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)N Amb17618835 [0,2,0,0,0,0|1,0,0]=3 290 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22337682 [0,2,0,0,0,0|0,0,0]=2 291 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22351280 [0,2,0,0,0,0|0,0,0]=2 292 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22360659 [0,2,0,0,0,0|0,0,0]=2 293 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22432561 [0,2,0,0,0,0|0,0,0]=2 294 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22730958 [0,2,0,0,0,0|0,0,0]=2 295 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22733375 [0,2,0,0,0,0|0,0,0]=2 296 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22734450 [0,2,0,0,0,0|0,0,0]=2 297 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb19960036 [0,2,0,0,0,0|0,0,1]=3 298 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb20246443 [0,2,0,0,0,0|0,0,1]=3 299 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb21520391 [0,2,0,0,0,0|0,0,1]=3 300 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22338064 [0,2,0,0,0,0|0,0,1]=3 301 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22349267 [0,2,0,0,0,0|0,0,1]=3 302 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22729194 [0,2,0,0,0,0|0,0,1]=3 303 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22729375 [0,2,0,0,0,0|0,0,1]=3 304 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22729952 [0,2,0,0,0,0|0,0,1]=3 305 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22730357 [0,2,0,0,0,0|0,0,1]=3 306 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22730716 [0,2,0,0,0,0|0,0,1]=3 307 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22731019 [0,2,0,0,0,0|0,0,1]=3 308 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22733452 [0,2,0,0,0,0|0,0,1]=3 309 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22733454 [0,2,0,0,0,0|0,0,1]=3 310 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22734062 [0,2,0,0,0,0|0,0,1]=3 311 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22734215 [0,2,0,0,0,0|0,0,1]=3 312 B19R0.149 CCCCCCCC\C=C/CCCCCCC[13C](=O)O Amb17618858 [0,2,0,0,0,0|0,0,0]=2 313 B19R0.149 CCCCCCCC\C=C/CCCCCCOC(C)=O Amb22740020 [0,2,0,0,0,0|1,0,1]=4 314 B19R0.149 CCCCCCCC\C=C/C\C=C/CCCCC(O)=O Amb21928932 [0,2,0,0,0,0|0,0,2]=4 315 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)Cl Amb20001478 [0,2,0,0,0,0|1,0,0]=3 316 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(O)=O Amb22369201 [0,2,0,0,0,0|0,0,0]=2 317 B19R0.149 CCCCCCCC\[13CH]=[13CH]/CCCCCCC[13C](O)=O Amb22353961 [0,2,0,0,0,0|0,0,0]=2 318 B19R0.149 CCCCCCCC\[13CH]=[13CH]/[13CH2][13CH2]CCC[13CH2][13CH2][13C](O)=O Amb22353878 [0,2,0,0,0,0|0,0,0]=2 319 B19R0.149 CCCCCCC\C=C\C=C\CCCCCCC(O)=O Amb21928936 [0,2,0,0,0,0|0,0,2]=4 320 B19R0.149 CCCCCCC\C=C\CCCCCCCCC(=O)Cl Amb22051697 [0,2,0,0,0,0|1,0,0]=3 321 B19R0.149 CCCCCCC\C=C\CCCCCCCCC(O)=O Amb22040077 [0,2,0,0,0,0|0,0,0]=2 322 B19R0.149 CCCCCC\C=C/C=C\CCCCCCCC(O)=O Amb21928933 [0,2,0,0,0,0|0,0,2]=4 323 B19R0.149 CCCCCC\C=C/CCCCCCCCCC(=O)Cl Amb22349882 [0,2,0,0,0,0|1,0,0]=3 324 B19R0.149 CCCCCC\C=C/CCCCCCCCOC(C)=O Amb22740022 [0,2,0,0,0,0|1,0,1]=4 325 B19R0.149 CCCCCC\C=C\C=C/CCCCCCCC(O)=O Amb21928935 [0,2,0,0,0,0|0,0,2]=4 326 B19R0.149 CCCCCC\C=C\C=C\CCCCCCCC(O)=O Amb21928938 [0,2,0,0,0,0|0,0,2]=4 327 B19R0.149 CCCCCC\C=C\CCCCCCCCC[13C](O)=O Amb22338962 [0,2,0,0,0,0|0,0,0]=2 328 B19R0.149 CCCCCC\C=C\CCCCCCCCOC(C)=O Amb22740023 [0,2,0,0,0,0|1,0,1]=4 329 B19R0.149 CCCCC\C=C\C=C\CCCCCCCCC(O)=O Amb22054759 [0,2,0,0,0,0|0,0,2]=4 330 B19R0.149 CCCCC\C=C\C\C=C\CCCCCCCC(O)=O Amb22359883 [0,2,0,0,0,0|0,0,2]=4 331 B19R0.149 CCCC\C=C/CCCCCCCCCCOC(=O)C Amb13883680 [0,2,0,0,0,0|1,0,1]=4 332 B19R0.149 CCCC\C=C\C=C\CCCCCCCCCC(O)=O Amb21928937 [0,2,0,0,0,0|0,0,2]=4 333 B19R0.149 CCCC\C=C\CCCCCCCCCCCC(O)=O Amb22348161 [0,2,0,0,0,0|0,0,0]=2 334 B19R0.149 CCCC\C=C\CCCCCCCCCCOC(C)=O Amb22740019 [0,2,0,0,0,0|1,0,1]=4 335 B19R0.149 ICCCCCCCCCCCCCCCCC(=O)O Amb10071542 [0,2,0,0,0,0|0,0,0]=2 336 B19R0.149 OC(=O)CCCCCCCCCCCCCCCCBr Amb19887564 [0,2,0,0,0,0|0,0,0]=2 337 B19R0.149 [13CH3]C[13CH2]C[13CH2]C[13CH2]C\[13CH]=C/[13CH2]C[13CH2]C[13CH2]C[13CH2]C([O-])=O Amb22367644 [0,2,0,0,0,0|0,0,1]=3 338 B19R0.149 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](O)=O Amb22353668 [0,2,0,0,0,0|0,0,0]=2 339 B19R0.149 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]\[13CH]=[13CH]/[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]C(O)=O Amb21928779 [0,2,0,0,0,0|0,0,0]=2 340 B19R0.149 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]\[13CH]=[13CH]/[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](O)=O Amb22366940 [0,2,0,0,0,0|0,0,0]=2 341 B19R0.157 CCCCCCCCCCCCCC(=O)NCC(O)=O Amb22729956 [0,2,0,0,0,0|0,0,1]=3 342 B19R0.443 CC(C)CCCCCCCCCCCCCCC(O)=O Amb21928808 [0,2,0,0,0,0|0,0,0]=2 343 B19R0.443 CC(CCCCCCCCCCCCCCC(=O)O)Br Amb10071513 [0,2,0,0,0,0|0,0,0]=2 344 B19R0.3102 CCCCCCCCCCCCCCCCP(C)(C)=O Amb22359039 [0,2,0,0,0,0|2,0,0]=4 345 B19R0.3102 CCCCCCCCCCCCCCCCP(O)(O)=O Amb22388779 [0,2,0,0,0,0|1,0,0]=3 346 B19R0.3102 CCCCCCCCCCCCCCCCS([O-])(=O)=O Amb22346276 [0,2,0,0,0,0|1,0,1]=4 347 B19R0.3102 CCCCCCCCCCCCCCCC[Si](C)(O)O Amb22351315 [0,2,0,0,0,0|0,1,1]=4 348 B19R0.450 CC(O)CCCCCCCCCCCC(O)CC(O)=O Amb24326319 [0,2,0,0,0,0|0,0,0]=2 349 B17R1.716 CCCCCCCCCCC1=CC(=O)CCC1 Amb10563261 [1,0,0,1,0,0|1,0,1]=4 350 B17R1.1294 CCCCN1CCCCC1CNCCC(O)=O Amb19483532 [1,0,0,1,0,0|2,0,0]=4 351 B17R1.11298 O=C1CCCCCCCCCCCCCCC1 Amb23453288 [1,0,0,1,0,0|1,0,0]=3 352 B17R1.16233 NC(=O)CNC1CCCCCCCCCCC1 Amb1116450 [1,0,0,1,0,0|2,0,0]=4 353 B17R1.29093 CCCCCCCCCCCCCCC1CO1 Amb22274870 [1,0,0,1,0,0|1,0,1]=4 354 B17R1.444 CC1CCCCCCCCCCCCCC1=O Amb22641509 [1,0,0,1,0,0|0,0,0]=2 355 B17R1.1242 CCCCCCCCCCCC1CCCCC1 Amb22732161 [1,0,0,1,0,0|1,0,1]=4 356 B17R1.1450 CCCCCCCCCCC1CCCCC1=O Amb23496208 [1,0,0,1,0,0|0,0,0]=2 357 B17R1.1451 CCCCCCCCCCC1CCCC1NC Amb23967765 [1,0,0,1,0,0|2,0,0]=4 358 B17R1.1451 CCCCCCCCCCN1CCC[C@@H]1CO Amb23996964 [1,0,0,1,0,0|1,0,1]=4 359 B17R1.1451 CCCCCCCCNCC1CCCC1CO Amb24014217 [1,0,0,1,0,0|1,0,1]=4 360 B17R1.27002 ON=C1CCCCCCCCCCCCCC1 Amb22731356 [1,0,0,1,0,0|1,0,1]=4 361 B19R1.49085 OC(=O)CCCCCNC(=O)CCCC1CCCC1 Amb25512877 [0,1,0,1,0,0|1,0,1]=4 362 B19R1.46541 CCCCCCC1CC1CCCCCCCC(O)=O Amb22731768 [0,1,0,1,0,0|0,0,0]=2 363 B19R1.248146 O=C1CCCCCCCC(=O)OCCCCCCO1 Amb1817936 [0,1,0,1,0,0|1,0,1]=4 364 B19R1.274 CCCCCCCCCCCCCC1OC(=O)C=C1 Amb17779781 [0,1,0,1,0,0|0,0,1]=3 365 B19R1.274 CCCCCCCCCCCCC[C@@H]1CCC(=O)O1 Amb24309496 [0,1,0,1,0,0|0,0,0]=2 366 B19R1.46528 CCCCCCCCCCCCCCC1CCC1=O Amb22731416 [0,1,0,1,0,0|1,0,0]=3 367 B19R1.46520 CCCCCCCCCCCCCCCCC1CO1 Amb10807770 [0,1,0,1,0,0|1,0,1]=4 368 B19R1.46520 CCCCCCCCCCCCCCOCC1CO1 Amb22734202 [0,1,0,1,0,0|1,0,1]=4 369 B19R1.49447 OC(=O)CCCNC1CCCCCCCCCCC1 Amb23918289 [0,1,0,1,0,0|0,0,0]=2 370 B19R1.15976 CCCCCCCCCN1CC(CC(O)=O)CCC1 Amb23952455 [0,1,0,1,0,0|1,0,0]=3 371 B19R1.48098 CC(CCCCCCC)NCC1CCCC1C(O)=O Amb24013728 [0,1,0,1,0,0|1,0,0]=3 372 B19R1.25747 OC(=O)CCCCNC(=O)CCCC1CCCCC1 Amb24814493 [0,1,0,1,0,0|1,0,1]=4 373 B19R1.27382 CCCCCCCCCCN1CC(O)C[C@@H]1C(O)=O Amb22801517 [0,1,0,1,0,0|1,0,0]=3 374 B19R2.8731 OC(=O)CCCCN1CCCC1C2CCCCC2 Amb24867867 [0,0,0,2,0,0|1,0,0]=3 375 B19R2.159437 OC(=O)C1CC2CCCCC2N1CCCCCF Amb24806269 [0,0,0,2,0,0|2,0,0]=4 376 B19R2.13443 OC(=O)CCCN1CCCC1CC2CCCCC2 Amb24867136 [0,0,0,2,0,0|1,0,0]=3 377 B19R2.13443 OC(=O)CCCN1CCCC1CN2CCCCC2 Amb24867177 [0,0,0,2,0,0|2,0,0]=4 378 B19R2.163872 OC(=O)CCCN1CCCC1CCC2CCCC2 Amb24867670 [0,0,0,2,0,0|1,0,0]=3 379 B19R2.7525 CC1CCCCC1NCC2CCCCC2C(O)=O Amb24013703 [0,0,0,2,0,0|1,0,0]=3 380 B19R2.8826 OC(=O)C1CCCCC1CNCC2CCOCC2 Amb24013586 [0,0,0,2,0,0|2,0,0]=4 381 B19R2.8826 OC(=O)C1CCCCN1CCCC2CCCCC2 Amb25617529 [0,0,0,2,0,0|1,0,0]=3 382 B19R2.113084 OC(=O)C1CCCCC1CNC2CCOCCC2 Amb24013692 [0,0,0,2,0,0|2,0,0]=4 383 B19R2.113084 OC(=O)C1CCCCN1CCC2CCCCCC2 Amb25617463 [0,0,0,2,0,0|1,0,0]=3 384 B19R2.13534 OC(=O)CC1CCCCN1CCCC2CCCO2 Amb23999617 [0,0,0,2,0,0|2,0,0]=4 385 B19R2.8879 OC(=O)C1CCCC1CNCCCC2CCCO2 Amb24013657 [0,0,0,2,0,0|2,0,0]=4 386 B19R2.112842 OC(=O)C1CCCCCN1CCCC2CCCO2 Amb23999641 [0,0,0,2,0,0|2,0,0]=4