0 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O Amb22642012 [0,0,0,0,0,0|0,0,2]=2 1 B17R0.43 CC(C)CCCCCCCCCCCCCCO Amb33716444 [0,0,0,0,0,0|3,0,1]=4 2 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl Amb8515345 [0,0,0,0,0,0|1,0,0]=1 3 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb2708781 [0,0,0,0,0,0|0,0,0]=0 4 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb32414662 [0,0,0,0,0,0|0,0,0]=0 5 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb34915028 [0,0,0,0,0,0|0,0,0]=0 6 B17R0.43 CCCCCCCCCCCCCCCC(N)=O Amb9787492 [0,0,0,0,0,0|1,0,0]=1 7 B17R0.43 CCCCCCCCCCCCCCCN(C)C Amb33840036 [0,0,0,0,0,0|3,0,0]=3 8 B17R0.43 CCCCCCCCCCCCCCOC(C)=O Amb9787312 [0,0,0,0,0,0|2,0,0]=2 9 B17R0.43 CCCCCCCCCCCCOCCC(N)=S Amb13953231 [0,0,0,0,0,0|2,1,0]=3 10 B17R0.43 CCCCCCCCCCCCSCCC(=O)O Amb1038996 [0,0,0,0,0,0|1,0,0]=1 11 B17R0.43 CCCCCCCCC\C=C/CCCCC(=O)O Amb21928725 [0,0,0,0,0,0|0,0,2]=2 12 B17R0.43 CCCCCCCCSCCCCCCC(=O)O Amb1038998 [0,0,0,0,0,0|1,0,0]=1 13 B17R0.43 CCCCCCCC\C=C\CCCCCC(=O)O Amb31031047 [0,0,0,0,0,0|0,0,2]=2 14 B17R0.43 CCCCCC\C=C\CCCCCCCC(=O)O Amb33723687 [0,0,0,0,0,0|0,0,2]=2 15 B17R0.43 CC\C=C/CCCCCCCCCCOC(C)=O Amb9134747 [0,0,0,0,0,0|2,0,2]=4 16 B17R0.43 NCCCCCCCCCCCCCCC(=O)O Amb33624987 [0,0,0,0,0,0|1,0,0]=1 17 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr Amb16231526 [0,0,0,0,0,0|1,0,0]=1 18 B17R0.43 [N-]=[N+]=NCCCCCCCCCCCCC(=O)O Amb34912547 [0,0,0,0,0,0|3,0,0]=3 19 B16R0.274 C=CCCCCCCCCCCCCC(=O)O Amb22489917 [1,0,0,0,0,0|0,0,2]=3 20 B16R0.274 CCCCCCCCCCCCCOC(C)=O Amb22352318 [1,0,0,0,0,0|2,0,0]=3 21 B16R0.274 CCCCCCCCCCNCCCC(=O)O Amb20622364 [1,0,0,0,0,0|1,0,0]=2 22 B16R0.274 CCCCCCCCCCNCCCC(=O)O Amb22059079 [1,0,0,0,0,0|1,0,0]=2 23 B16R0.274 O=C(O)CCCCCCCCCCCCCO Amb22489916 [1,0,0,0,0,0|1,0,0]=2 24 B16R0.274 O=C(O)CCCCCCCCCCCN=C=S Amb33471294 [1,0,0,0,0,0|2,0,1]=4 25 B16R0.274 O=C=NCCCCCCCCCCCC(=O)O Amb33471301 [1,0,0,0,0,0|2,0,1]=4 26 B16R0.274 [N-]=[N+]=NCCCCCCCCCCCC(=O)O Amb34912551 [1,0,0,0,0,0|3,0,0]=4 27 B16R0.303 C=CCCCCCCCCCCCCCC=C Amb22641570 [1,0,0,0,0,0|1,0,2]=4 28 B16R0.303 CCCCCCCCC#CCCCCCCO Amb2721481 [1,0,0,0,0,0|0,0,3]=4 29 B16R0.303 CCCCCCCCCCCCCCCC#N Amb33921986 [1,0,0,0,0,0|1,0,1]=3 30 B16R0.303 CCCCCCCCCCCCCCCC=O Amb6600126 [1,0,0,0,0,0|0,0,0]=1 31 B16R0.303 CCCCCCCCCCCCCCCCBr Amb6366441 [1,0,0,0,0,0|1,0,1]=3 32 B16R0.303 CCCCCCCCCCCCCCCCCl Amb8514668 [1,0,0,0,0,0|1,0,1]=3 33 B16R0.303 CCCCCCCCCCCCCCCCN Amb751923 [1,0,0,0,0,0|1,0,1]=3 34 B16R0.303 CCCCCCCCCCCCCCCCO Amb6354576 [1,0,0,0,0,0|0,0,1]=2 35 B16R0.303 CCCCCCCCCCCCCCCCS Amb8513184 [1,0,0,0,0,0|0,1,1]=3 36 B16R0.303 CCCCCCCCCCCCCCN=C=O Amb10070640 [1,0,0,0,0,0|1,0,1]=3 37 B16R0.303 CCCCCCCCCCCCCCN=C=S Amb19883892 [1,0,0,0,0,0|1,1,1]=4 38 B16R0.303 CCCCCCCCCCCCNCCC#N Amb2687700 [1,0,0,0,0,0|2,0,1]=4 39 B16R0.303 CCCCCCCCCCCCNCCCN Amb16234107 [1,0,0,0,0,0|2,0,1]=4 40 B16R0.303 CCCCCCCCCCCCOCCC#N Amb9787157 [1,0,0,0,0,0|2,0,1]=4 41 B16R0.303 CCCCCCCCCCCCOCCCN Amb2780371 [1,0,0,0,0,0|2,0,1]=4 42 B16R0.303 CCCCCCCCNCCCCCCCC Amb8513151 [1,0,0,0,0,0|2,0,1]=4 43 B16R0.303 CCCCCCCCOCCCCCCCC Amb9787158 [1,0,0,0,0,0|2,0,1]=4 44 B16R0.303 CCCCCCCCSCCCCCCCC Amb9787326 [1,0,0,0,0,0|2,0,1]=4 45 B16R0.303 CCCC\C=C/CCCCCCCCCC=O Amb10807576 [1,0,0,0,0,0|0,0,2]=3 46 B16R0.303 CCCC\C=C\CCCCCCCCCC=O Amb9134745 [1,0,0,0,0,0|0,0,2]=3 47 B16R0.303 OCCCCCCCCCCCCCCCBr Amb1818124 [1,0,0,0,0,0|1,0,1]=3 48 B18R0.94 CCCCCCCCC(=O)NCCCCCC(=O)O Amb8863149 [0,1,0,0,0,0|1,0,1]=3 49 B18R0.114 COC(=O)CCCCCCCCCCCCC(=O)O Amb32411149 [0,1,0,0,0,0|1,0,1]=3 50 B18R0.114 O=C(O)CCCCCCCCCCCCC(F)CBr Amb22547627 [0,1,0,0,0,0|1,0,0]=2 51 B18R0.171 C=CC(=O)OCCCCCCCCCCCCCC Amb24325453 [0,1,0,0,0,0|2,0,0]=3 52 B18R0.171 CCCCCCCCCCCCCCCC(=O)NN Amb6366503 [0,1,0,0,0,0|1,0,0]=2 53 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC Amb4380184 [0,1,0,0,0,0|0,0,0]=1 54 B18R0.171 CCCCCC\C=C/CCCCCCCC(=O)OC Amb22263078 [0,1,0,0,0,0|0,0,2]=3 55 B18R0.171 NNC(=O)CCCCCCCCCCCCCCO Amb1778664 [0,1,0,0,0,0|2,0,0]=3 56 B18R0.174 CCCCCCCCCCCCCCC(Br)C(=O)O Amb17836476 [0,1,0,0,0,0|0,0,0]=1 57 B18R0.174 CCCCCCCCCCCCCCC(N)C(=O)O Amb21520308 [0,1,0,0,0,0|0,0,0]=1 58 B18R0.174 CCCCCCCCCCCCCCC(O)C(=O)O Amb6366330 [0,1,0,0,0,0|0,0,0]=1 59 B18R0.176 CC(C)CCCCCCCCCCCCCCCO Amb22348069 [0,1,0,0,0,0|2,0,1]=4 60 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl Amb20672053 [0,1,0,0,0,0|1,0,0]=2 61 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O Amb8515709 [0,1,0,0,0,0|0,0,0]=1 62 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] Amb22728751 [0,1,0,0,0,0|0,0,1]=2 63 B18R0.176 CCCCCCCCCCCCCCCNC(C)=O Amb31031069 [0,1,0,0,0,0|1,0,0]=2 64 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O Amb8390847 [0,1,0,0,0,0|0,0,0]=1 65 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr Amb9788803 [0,1,0,0,0,0|0,0,0]=1 66 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO Amb2701869 [0,1,0,0,0,0|0,0,0]=1 67 B18R0.176 [N-]=[N+]=NCCCCCCCCCCCCCC(=O)O Amb34912545 [0,1,0,0,0,0|2,0,0]=3 68 B18R0.182 CCCCCCCCCCCCCCOS(=O)(=O)[O-] Amb8516799 [0,1,0,0,0,0|2,0,1]=4 69 B18R0.220 CCCCCCCCCCCCCC(O)CC(=O)O Amb21928751 [0,1,0,0,0,0|0,0,0]=1 70 B18R0.220 CCCCCCCCCCCCOC(=O)CC(C)=O Amb9787154 [0,1,0,0,0,0|2,0,1]=4 71 B18R0.974 O=C(O)CCCCCCCCCCCCCC(=O)O Amb10807608 [0,1,0,0,0,0|1,0,1]=3 72 B18R0.7250 NCCCCCCC(=O)NCCCCCCC(=O)O Amb20668422 [0,1,0,0,0,0|2,0,1]=4 73 B18R0.7250 NCCCCCCC(=O)NCCCCCCC(=O)O Amb22058895 [0,1,0,0,0,0|2,0,1]=4 74 B18R0.19183 CCCCCCCCCCCCS(=O)CCC(=O)O Amb1085922 [0,1,0,0,0,0|1,0,0]=2 75 B18R1.13791 O=C1CCCCCCCCCCOCCCCO1 Amb533440 [0,0,0,1,0,0|1,0,0]=2 76 B18R1.20697 O=C(O)CCCCCCCCCCC1CCCO1 Amb533210 [0,0,0,1,0,0|1,0,0]=2 77 B15R0.70 BrCCCCCCCCCCCCCCBr Amb17671945 [2,0,0,0,0,0|2,0,0]=4 78 B15R0.70 C#CCCCCCCCCCCCCCO Amb22002151 [2,0,0,0,0,0|0,0,2]=4 79 B15R0.70 CCCCCCCCCCCCCCCBr Amb8516462 [2,0,0,0,0,0|1,0,0]=3 80 B15R0.70 CCCCCCCCCCCCCCCC Amb8513181 [2,0,0,0,0,0|0,0,1]=3 81 B15R0.70 CCCCCCCCCCCCCCCI Amb28990876 [2,0,0,0,0,0|1,0,0]=3 82 B15R0.70 CCCCCCCCCCCCCCCO Amb8513284 [2,0,0,0,0,0|0,0,0]=2 83 B15R0.70 CCCCCCCCCCCCCNCC Amb32410618 [2,0,0,0,0,0|1,0,1]=4 84 B15R0.70 CCCCCCCCCCCCNCCO Amb9787054 [2,0,0,0,0,0|1,0,0]=3 85 B15R0.70 CCCCCCCCCCCCOCCO Amb9787185 [2,0,0,0,0,0|1,0,0]=3 86 B15R0.70 CCCCCCCCCCCCSCCO Amb1085984 [2,0,0,0,0,0|1,0,0]=3 87 B15R0.70 CCCCCCCCCCCNCCCO Amb9786065 [2,0,0,0,0,0|1,0,0]=3 88 B15R0.70 CCCCCCCCCCOCCCCO Amb2099477 [2,0,0,0,0,0|1,0,0]=3 89 B15R0.70 CCCCCCCCCNCCCCCC Amb17308746 [2,0,0,0,0,0|1,0,1]=4 90 B15R0.70 CCCCCCCCNCCCCCCC Amb20077794 [2,0,0,0,0,0|1,0,1]=4 91 B15R0.70 OCCCCCCCCCCCCCCBr Amb2694731 [2,0,0,0,0,0|1,0,0]=3 92 B15R0.70 OCCCCCCCCCCCCCCO Amb2695005 [2,0,0,0,0,0|1,0,0]=3 93 B15R0.164 C#CCCCCCCCCCCCC(=O)O Amb22642011 [2,0,0,0,0,0|0,0,2]=4 94 B15R0.164 CCCCCCCCCCCCCC(=O)Cl Amb3940239 [2,0,0,0,0,0|1,0,0]=3 95 B15R0.164 CCCCCCCCCCCCCC(=O)O Amb2708780 [2,0,0,0,0,0|0,0,0]=2 96 B15R0.164 CCCCCCCCCCCCCC(N)=O Amb6366249 [2,0,0,0,0,0|1,0,0]=3 97 B15R0.164 CCCCCCCCCCCCNC(N)=O Amb2720910 [2,0,0,0,0,0|2,0,0]=4 98 B15R0.164 CCCCCCCCCCCCOC(=O)Cl Amb22002629 [2,0,0,0,0,0|2,0,0]=4 99 B15R0.164 CCCCCCCCCCNCCC(=O)O Amb20630815 [2,0,0,0,0,0|1,0,0]=3 100 B15R0.164 CCCCCCCCCCNCCC(=O)O Amb22059078 [2,0,0,0,0,0|1,0,0]=3 101 B15R0.164 CCCCCCCCCCSCCC(=O)O Amb1036580 [2,0,0,0,0,0|1,0,0]=3 102 B15R0.164 CCCCCCCCSCCCCC(=O)O Amb1038997 [2,0,0,0,0,0|1,0,0]=3 103 B17R0.195 CCCCCCCCCCCCCCC(=O)CBr Amb22047393 [1,1,0,0,0,0|1,0,0]=3 104 B17R0.195 CCCCCCCCCCCCCCC(=O)OC Amb7092017 [1,1,0,0,0,0|0,0,0]=2 105 B17R0.195 CCCCCCCCCCCCCCC(O)CO Amb17940830 [1,1,0,0,0,0|0,0,2]=4 106 B17R0.195 CCCCCCCCCCNCCCC(=O)OC Amb20622600 [1,1,0,0,0,0|1,0,0]=3 107 B17R0.195 CCCCCCCCCCNCCCC(=O)OC Amb22157193 [1,1,0,0,0,0|1,0,0]=3 108 B17R0.197 CCCCCCCCCCCCCCP(=O)(O)O Amb22053907 [1,1,0,0,0,0|1,0,0]=3 109 B17R0.1713 C=C(F)CCCCCCCCCCCCC(=O)O Amb22547624 [1,1,0,0,0,0|0,0,2]=4 110 B17R0.1713 CC(=O)CCCCCCCCCCCCC(C)=O Amb10602505 [1,1,0,0,0,0|1,0,1]=4 111 B17R0.1713 O=C(O)CCCCCCCCCCCCC(=O)O Amb8631093 [1,1,0,0,0,0|1,0,1]=4 112 B17R0.104 CCCCCCCCC(O)CCCCCCCC Amb2701854 [1,1,0,0,0,0|1,0,1]=4 113 B17R0.117 BrCCCCCCCCCCCCCCCCBr Amb22388776 [1,1,0,0,0,0|1,0,1]=4 114 B17R0.117 C=CCCCCCCCCCCCCCCC=C Amb22641571 [1,1,0,0,0,0|1,0,1]=4 115 B17R0.117 CCCCCCCCCCCCCCCCCBr Amb6366528 [1,1,0,0,0,0|1,0,1]=4 116 B17R0.117 CCCCCCCCCCCCCCCCCN Amb17674227 [1,1,0,0,0,0|1,0,1]=4 117 B17R0.117 CCCCCCCCCCCCCCCCCO Amb8514599 [1,1,0,0,0,0|0,0,1]=3 118 B17R0.117 CCCCCCCCCCCCCCCCNC Amb9787069 [1,1,0,0,0,0|1,0,1]=4 119 B17R0.117 CCCCCCCCCCCCCCNCCO Amb9787071 [1,1,0,0,0,0|0,0,1]=3 120 B17R0.117 CCCCCCCCCCCCCCOCCO Amb9787186 [1,1,0,0,0,0|0,0,1]=3 121 B17R0.117 OCCCCCCCCCCCCCCCCBr Amb2694730 [1,1,0,0,0,0|0,0,1]=3 122 B17R0.117 OCCCCCCCCCCCCCCCCO Amb21936051 [1,1,0,0,0,0|0,0,1]=3 123 B17R0.117 OCCCCCCCCCCCCCCCCS Amb2447019 [1,1,0,0,0,0|0,0,1]=3 124 B17R0.8809 CCCCCCCCCC(O)CCCCCCC Amb6337716 [1,1,0,0,0,0|1,0,1]=4 125 B17R0.12412 CCCCCCCCCCC(O)CCCCCC Amb32679311 [1,1,0,0,0,0|1,0,1]=4 126 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC Amb9825438 [0,2,0,0,0,0|0,0,0]=2 127 B19R0.148 CCCCCC\C=C/CCCCCCCCC(=O)OC Amb22352444 [0,2,0,0,0,0|0,0,1]=3 128 B19R0.148 COC(=O)CCCCCCCCCCCCCCCBr Amb10071547 [0,2,0,0,0,0|0,0,0]=2 129 B19R0.153 CCCCCCCCCCCCCCCC(=O)N(C)C Amb33986305 [0,2,0,0,0,0|1,0,0]=3 130 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCC Amb8516633 [0,2,0,0,0,0|0,0,0]=2 131 B19R0.149 C#CCCCCCCCCCCCCCCCC(=O)O Amb19930518 [0,2,0,0,0,0|0,0,0]=2 132 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl Amb16232724 [0,2,0,0,0,0|1,0,0]=3 133 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O Amb2708782 [0,2,0,0,0,0|0,0,0]=2 134 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O Amb34195662 [0,2,0,0,0,0|0,0,0]=2 135 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] Amb20246452 [0,2,0,0,0,0|0,0,1]=3 136 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] Amb21962914 [0,2,0,0,0,0|0,0,1]=3 137 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] Amb22276139 [0,2,0,0,0,0|0,0,1]=3 138 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] Amb6366566 [0,2,0,0,0,0|0,0,1]=3 139 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] Amb8516681 [0,2,0,0,0,0|0,0,1]=3 140 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] Amb8517289 [0,2,0,0,0,0|0,0,1]=3 141 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] Amb9787727 [0,2,0,0,0,0|0,0,1]=3 142 B19R0.149 CCCCCCCCCCCCCCCCCC(C)=O Amb6366421 [0,2,0,0,0,0|1,0,0]=3 143 B19R0.149 CCCCCCCCCCCCCCCCNC(C)=O Amb3734342 [0,2,0,0,0,0|1,0,0]=3 144 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)Cl Amb19944676 [0,2,0,0,0,0|1,0,0]=3 145 B19R0.149 CCCCCCCCCCCCCCCCOC(C)=O Amb9787518 [0,2,0,0,0,0|1,0,0]=3 146 B19R0.149 CCCCCCCCCCCCC\C=C\C=C\C(=O)O Amb22001612 [0,2,0,0,0,0|0,0,2]=4 147 B19R0.149 CCCCCCCCCCC\C=C\CCCCC(=O)O Amb22732392 [0,2,0,0,0,0|0,0,0]=2 148 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O Amb22432561 [0,2,0,0,0,0|0,0,0]=2 149 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O Amb6600107 [0,2,0,0,0,0|0,0,0]=2 150 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] Amb19960036 [0,2,0,0,0,0|0,0,1]=3 151 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] Amb8514496 [0,2,0,0,0,0|0,0,1]=3 152 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(N)=O Amb17618835 [0,2,0,0,0,0|1,0,0]=3 153 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)Cl Amb20001478 [0,2,0,0,0,0|1,0,0]=3 154 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O Amb33987863 [0,2,0,0,0,0|0,0,0]=2 155 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O Amb7809233 [0,2,0,0,0,0|0,0,0]=2 156 B19R0.149 CCCCCC\C=C\CCCCCCCCCC(=O)O Amb6297192 [0,2,0,0,0,0|0,0,0]=2 157 B19R0.149 CCCCC\C=C/C\C=C/CCCCCCCC(=O)O Amb6307468 [0,2,0,0,0,0|0,0,2]=4 158 B19R0.149 CCCCC\C=C\C\C=C\CCCCCCCC(=O)O Amb33961505 [0,2,0,0,0,0|0,0,2]=4 159 B19R0.149 CCCC\C=C/CCCCCCCCCCOC(C)=O Amb13883680 [0,2,0,0,0,0|1,0,1]=4 160 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCBr Amb19887564 [0,2,0,0,0,0|0,0,0]=2 161 B19R0.149 [N-]=[N+]=NCCCCCCCCCCCCCCC(=O)O Amb34912546 [0,2,0,0,0,0|1,0,0]=3 162 B19R0.157 CCCCCCCCCCCCCC(=O)NCC(=O)O Amb22729956 [0,2,0,0,0,0|0,0,1]=3 163 B19R0.443 O=C(O)CCCCCCCCCCCCCCC(=O)O Amb4037031 [0,2,0,0,0,0|0,0,1]=3 164 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)[O-] Amb8513404 [0,2,0,0,0,0|1,0,1]=4 165 B17R1.11267 CC1CCCCCCCCCCCCC(=O)C1 Amb6296829 [1,0,0,1,0,0|1,0,0]=3 166 B17R1.11298 O=C1CCCCCCCCCCCCCCC1 Amb23453288 [1,0,0,1,0,0|1,0,0]=3 167 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 Amb536728 [1,0,0,1,0,0|0,0,0]=2 168 B17R1.16233 O=C(O)COC1CCCCCCCCCCC1 Amb32946021 [1,0,0,1,0,0|1,0,0]=3 169 B17R1.29093 CCCCCCCCCCCCCCC1CO1 Amb22274870 [1,0,0,1,0,0|1,0,1]=4 170 B17R1.444 CC1CCCCCCCCCCCCCC1=O Amb22641509 [1,0,0,1,0,0|0,0,0]=2 171 B17R1.1045 N#CCCC1CCCCCCCCCCC1=O Amb2722805 [1,0,0,1,0,0|1,0,1]=4 172 B17R1.5249 CCCCCCCCCCCCC1CCC1=O Amb8515168 [1,0,0,1,0,0|0,0,0]=2 173 B19R1.25715 O=C(O)CCCCCCCCCCC1COCCO1 Amb533214 [0,1,0,1,0,0|1,0,0]=3 174 B19R1.46541 CCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)O Amb33931323 [0,1,0,1,0,0|0,0,0]=2 175 B19R1.274 CCCCCCCCCCCCCC1C=CC(=O)O1 Amb17779781 [0,1,0,1,0,0|0,0,1]=3 176 B19R1.15489 CCCCCCCCCCCC1N[C@H](C(=O)O)CS1 Amb2759443 [0,1,0,1,0,0|1,0,0]=3