0 B12R0.268 C=C(F)CCCCCCCC(=O)O Amb22641501 [0,0,0,0,0,0|2,0,0]=2 1 B12R0.268 CC(=O)CCCCCCCC(=O)O Amb17938671 [0,0,0,0,0,0|1,0,0]=1 2 B12R0.268 CC(=O)CCCCC\C=C\C(=O)O Amb2610938 [0,0,0,0,0,0|1,0,2]=3 3 B12R0.268 CC(=O)NCCCCCNC(C)=O Amb10549447 [0,0,0,0,0,0|4,0,0]=4 4 B12R0.268 CC(C)CCCCCCCC(=O)O Amb24117911 [0,0,0,0,0,0|2,0,1]=3 5 B12R0.268 CC(C)CCOCCCCC(=O)O Amb9207788 [0,0,0,0,0,0|3,0,1]=4 6 B12R0.268 CC(C)SCCCCCCC(=O)O Amb32410629 [0,0,0,0,0,0|3,0,1]=4 7 B12R0.268 O=C(Cl)CCCCCCCC(=O)Cl Amb3940246 [0,0,0,0,0,0|2,0,0]=2 8 B12R0.268 O=C(O)CCCCCCCC(=O)O Amb33550139 [0,0,0,0,0,0|0,0,0]=0 9 B12R0.268 O=C(O)CCCNCCCC(=O)O Amb30988047 [0,0,0,0,0,0|1,0,0]=1 10 B12R0.268 O=C(O)CCSCSCCC(=O)O Amb2725404 [0,0,0,0,0,0|2,0,0]=2 11 B12R0.268 O=C(O)CNCCCNCC(=O)O Amb22733453 [0,0,0,0,0,0|2,0,0]=2 12 B11R0.148 C#CCCCCCCCC(=O)O Amb22388895 [1,0,0,0,0,0|1,0,1]=3 13 B11R0.148 C=CCCCCCCCC(=O)O Amb2686677 [1,0,0,0,0,0|1,0,0]=2 14 B11R0.148 C=CCCOCCCCC(=O)O Amb33531508 [1,0,0,0,0,0|2,0,0]=3 15 B11R0.148 CC(=O)OCCCCCCC=O Amb22364796 [1,0,0,0,0,0|2,0,0]=3 16 B11R0.148 CC(O)CCCCCCCCO Amb33331053 [1,0,0,0,0,0|1,0,2]=4 17 B11R0.148 CCCCCCCCCC(=O)Cl Amb8513576 [1,0,0,0,0,0|2,0,1]=4 18 B11R0.148 CCCCCCCCCC(=O)O Amb5718031 [1,0,0,0,0,0|1,0,1]=3 19 B11R0.148 CCCCCCCCCC(C)=O Amb6307417 [1,0,0,0,0,0|2,0,1]=4 20 B11R0.148 CCCCCCCCCC(N)=O Amb6366435 [1,0,0,0,0,0|2,0,1]=4 21 B11R0.148 CCCCCCCNCC(=O)O Amb19373457 [1,0,0,0,0,0|2,0,1]=4 22 B11R0.148 CCCCCCCNCC(=O)O Amb8827566 [1,0,0,0,0,0|2,0,1]=4 23 B11R0.148 CCCCCCNCCC(=O)O Amb8830823 [1,0,0,0,0,0|2,0,1]=4 24 B11R0.148 CCCCSCCCCC(=O)O Amb1032990 [1,0,0,0,0,0|2,0,1]=4 25 B11R0.148 CNCCCNCCCC(=O)O Amb28963363 [1,0,0,0,0,0|3,0,0]=4 26 B11R0.148 CNCCCNCCCC(=O)O Amb33470189 [1,0,0,0,0,0|3,0,0]=4 27 B11R0.148 COCCOCCCCC(=O)O Amb9207792 [1,0,0,0,0,0|3,0,0]=4 28 B11R0.148 N#CCCCSCCCC(=O)O Amb17504253 [1,0,0,0,0,0|2,0,1]=4 29 B11R0.148 NCCCCSCCCC(=O)O Amb17500972 [1,0,0,0,0,0|2,0,1]=4 30 B11R0.148 O=C(O)CCCCCCCCBr Amb8631538 [1,0,0,0,0,0|1,0,1]=3 31 B11R0.148 O=C(O)CCCCCCCCO Amb3372037 [1,0,0,0,0,0|0,0,1]=2 32 B11R0.148 O=C(O)CCCCCCN=C=S Amb33471526 [1,0,0,0,0,0|1,1,1]=4 33 B11R0.148 O=C(O)CCOCCOCCO Amb24057823 [1,0,0,0,0,0|2,0,1]=4 34 B11R0.148 O=C=NCCCCCCC(=O)O Amb33471297 [1,0,0,0,0,0|1,0,1]=3 35 B11R0.148 [N-]=[N+]=NCCCCCCC(=O)O Amb22407009 [1,0,0,0,0,0|3,0,0]=4 36 B13R0.202 COC(=O)CCCCCCCC(=O)O Amb2099653 [0,1,0,0,0,0|0,0,0]=1 37 B13R0.202 COC(=O)CCCCC\C=C\C(=O)O Amb33038190 [0,1,0,0,0,0|0,0,2]=3 38 B13R0.202 O=C(O)CCCCCCCC(F)CBr Amb22547613 [0,1,0,0,0,0|2,0,1]=4 39 B13R0.1398 NC(CCCC(=O)O)CCCC(=O)O Amb33465463 [0,1,0,0,0,0|0,0,0]=1 40 B13R0.1398 NC(CCCC(=O)O)CCCC(=O)O Amb33465464 [0,1,0,0,0,0|0,0,0]=1 41 B13R0.1398 O=C(O)CCCC(=O)CCCC(=O)O Amb2700604 [0,1,0,0,0,0|0,0,1]=2 42 B13R1.128 CC1CCC(CCCCC(=O)O)C1 Amb33229248 [0,0,0,1,0,0|2,0,1]=4 43 B13R1.149 O=C(O)CCCC1CCCC(=O)N1 Amb33465486 [0,0,0,1,0,0|1,0,0]=2 44 B13R1.589 C=C(C)CC1CCCCC1C(=O)O Amb27748690 [0,0,0,1,0,0|2,0,0]=3 45 B13R1.589 CC(=O)C1CCCCN1CC(N)=O Amb27669613 [0,0,0,1,0,0|3,0,0]=4 46 B13R1.589 CC(=O)CC1CCCCC1C(=O)O Amb18129441 [0,0,0,1,0,0|1,0,0]=2 47 B13R1.589 CC(=O)CC1CCCCN1C(N)=O Amb27618104 [0,0,0,1,0,0|3,0,0]=4 48 B13R1.589 CC(=O)C[C@@H]1CCCCC1C(=O)O Amb27210081 [0,0,0,1,0,0|1,0,0]=2 49 B13R1.589 CC(=O)N1CCCCC1CC(=O)O Amb13952139 [0,0,0,1,0,0|2,0,0]=3 50 B13R1.589 CC(=O)N1CCOCC1CC(=O)O Amb28342171 [0,0,0,1,0,0|3,0,0]=4 51 B13R1.589 CC(=O)NC1CCCCC1C(=O)O Amb27751066 [0,0,0,1,0,0|2,0,0]=3 52 B13R1.589 CC(=O)N[C@@H]1CCNC[C@@H]1C(=O)O Amb27448152 [0,0,0,1,0,0|3,0,0]=4 53 B13R1.589 CC(=O)N[C@H]1CCCC[C@H]1C(=O)O Amb28052103 [0,0,0,1,0,0|2,0,0]=3 54 B13R1.589 CC(=O)OC1CCCCC1C(=O)Cl Amb25222643 [0,0,0,1,0,0|3,0,0]=4 55 B13R1.589 CC(=O)O[C@@H]1CCCC[C@H]1C(=O)Cl Amb27409374 [0,0,0,1,0,0|3,0,0]=4 56 B13R1.589 CC(C)C1CCCCC1CC(=O)O Amb28044620 [0,0,0,1,0,0|2,0,1]=4 57 B13R1.589 CN(C)C1CCCCC1CC(=O)O Amb18822385 [0,0,0,1,0,0|3,0,0]=4 58 B13R1.589 CN(C)C[C@H]1CCCC[C@@H]1C(=O)O Amb28349313 [0,0,0,1,0,0|3,0,0]=4 59 B13R1.589 CS(=O)N1CCCCC1CC(=O)O Amb27250494 [0,0,0,1,0,0|3,0,0]=4 60 B13R1.589 N=C(N)N1CCCCC1CC(=O)O Amb27983676 [0,0,0,1,0,0|3,0,0]=4 61 B13R1.589 N=C(N)NC1CCCCC1C(=O)O Amb28075999 [0,0,0,1,0,0|3,0,0]=4 62 B13R1.589 N=C(N)N[C@@H]1CCCC[C@@H]1C(=O)O Amb27637658 [0,0,0,1,0,0|3,0,0]=4 63 B13R1.589 N=C(N)N[C@H]1CCCC[C@H]1C(=O)O Amb27472046 [0,0,0,1,0,0|3,0,0]=4 64 B13R1.589 NC(=O)C1CNCCC1CC(=O)O Amb27845475 [0,0,0,1,0,0|2,0,0]=3 65 B13R1.589 NC(=O)C1CNCCN1CC(=O)O Amb27807015 [0,0,0,1,0,0|3,0,0]=4 66 B13R1.589 NC(=O)CN1CCCCC1C(=O)O Amb9299677 [0,0,0,1,0,0|2,0,0]=3 67 B13R1.589 NC(=O)CN1CCCCC1C(N)=O Amb18328836 [0,0,0,1,0,0|3,0,0]=4 68 B13R1.589 NC(=O)CN1CCNCC1C(=O)O Amb27806094 [0,0,0,1,0,0|3,0,0]=4 69 B13R1.589 NC(=O)NC1CCCCC1C(=O)O Amb27390251 [0,0,0,1,0,0|2,0,0]=3 70 B13R1.589 NC(=O)N[C@@H]1CCCC[C@@H]1C(=O)O Amb27201313 [0,0,0,1,0,0|2,0,0]=3 71 B13R1.589 NC(=O)N[C@H]1CCCC[C@@H]1C(=O)O Amb27974154 [0,0,0,1,0,0|2,0,0]=3 72 B13R1.589 O=C(O)CC1=C(C(=O)O)CCCC1 Amb25295259 [0,0,0,1,0,0|0,0,2]=3 73 B13R1.589 O=C(O)CC1CC=CCC1C(=O)O Amb27401917 [0,0,0,1,0,0|0,0,2]=3 74 B13R1.589 O=C(O)CC1CCC=CC1C(=O)O Amb27484145 [0,0,0,1,0,0|0,0,2]=3 75 B13R1.589 O=C(O)CN1CCCCC1C(=O)O Amb17561089 [0,0,0,1,0,0|1,0,0]=2 76 B13R1.589 O=C(O)CN1CCNCC1C(=O)O Amb18191119 [0,0,0,1,0,0|2,0,0]=3 77 B13R1.589 O=C(O)C[C@@H]1CC=CC[C@H]1C(=O)O Amb28245286 [0,0,0,1,0,0|0,0,2]=3 78 B13R1.589 O=C(O)C[C@@H]1CCCC[C@@H]1C(=O)O Amb26428596 [0,0,0,1,0,0|0,0,0]=1 79 B13R1.589 O=C(O)C[C@@H]1CCCN[C@H]1C(=O)O Amb27444674 [0,0,0,1,0,0|1,0,0]=2 80 B13R1.589 O=C(O)C[C@@H]1CCCO[C@@H]1C(=O)O Amb27484142 [0,0,0,1,0,0|1,0,0]=2 81 B13R1.591 CC(=O)NC1CCCC1CC(=O)O Amb29863706 [0,0,0,1,0,0|2,0,0]=3 82 B13R1.591 CC(=O)N[C@@H]1CCC[C@H]1CC(=O)O Amb30019916 [0,0,0,1,0,0|2,0,0]=3 83 B13R1.591 NC(=O)NC1CCCC1CC(=O)O Amb35730493 [0,0,0,1,0,0|2,0,0]=3 84 B13R1.591 NC(=O)N[C@@H]1CCC[C@H]1CC(=O)O Amb35730653 [0,0,0,1,0,0|2,0,0]=3 85 B13R1.591 O=C(O)C[C@@H]1CNC[C@H]1CC(=O)O Amb35788663 [0,0,0,1,0,0|1,0,0]=2 86 B13R1.591 O=C(O)C[C@@H]1CNC[C@H]1CC(=O)O Amb35789352 [0,0,0,1,0,0|1,0,0]=2 87 B13R1.591 O=C(O)\C=C1/CCCC1CC(=O)O Amb27650683 [0,0,0,1,0,0|0,0,2]=3 88 B13R1.1052 O=C(O)CCCCCCCC1CC1 Amb33167110 [0,0,0,1,0,0|2,0,1]=4 89 B13R1.1065 CC(=O)CCCN1CCC1C(N)=O Amb33251327 [0,0,0,1,0,0|3,0,0]=4 90 B13R1.1065 NC(=O)C1CCN1CCCC(=O)O Amb33251355 [0,0,0,1,0,0|2,0,0]=3 91 B13R1.1082 CC(=O)N1CCCCCC1C(=O)O Amb8631239 [0,0,0,1,0,0|2,0,0]=3 92 B13R1.1082 CN(C)C1CCCCCC1C(=O)O Amb18967362 [0,0,0,1,0,0|3,0,0]=4 93 B13R1.1082 NC(=O)[C@H]1CCCCC[C@H]1C(=O)O Amb27437402 [0,0,0,1,0,0|1,0,0]=2 94 B13R1.1082 O=C(O)C1=C(C(=O)O)CCCCC1 Amb24442364 [0,0,0,1,0,0|0,0,2]=3 95 B13R1.1082 O=C(O)C1CCCCCC1C(=O)O Amb25719377 [0,0,0,1,0,0|0,0,0]=1 96 B13R1.3501 CC(=O)OCC1CCCCC(=O)N1 Amb28319892 [0,0,0,1,0,0|3,0,0]=4 97 B13R1.3501 O=C(O)CCC1CCCCC(=O)N1 Amb18191370 [0,0,0,1,0,0|1,0,0]=2 98 B13R1.3501 O=C(O)CCN1CCCNC(=O)C1 Amb27207886 [0,0,0,1,0,0|3,0,0]=4 99 B13R1.3501 O=C(O)CNC1CCCNC(=O)C1 Amb28242001 [0,0,0,1,0,0|3,0,0]=4 100 B13R1.3575 CC(=O)CCC1CCCCS1(=O)=O Amb35733142 [0,0,0,1,0,0|2,0,1]=4 101 B13R1.3575 CC1(C)CCCCC1CCC(=O)O Amb33470261 [0,0,0,1,0,0|2,0,1]=4 102 B13R1.3575 CC1(O)CCCCC1NCC(=O)O Amb35597316 [0,0,0,1,0,0|2,0,1]=4 103 B13R1.3575 CC1(O)CCCCC1OCC(=O)O Amb35665605 [0,0,0,1,0,0|2,0,1]=4 104 B13R1.3575 CC1(O)CCCCC1SCC(=O)O Amb35664219 [0,0,0,1,0,0|2,0,1]=4 105 B13R1.3575 C[C@@]1(O)CCCC[C@H]1NCC(=O)O Amb35597214 [0,0,0,1,0,0|2,0,1]=4 106 B13R1.3575 C[C@@]1(O)CCCC[C@H]1OCC(=O)O Amb35664175 [0,0,0,1,0,0|2,0,1]=4 107 B13R1.3575 C[C@@]1(O)CCCC[C@H]1SCC(=O)O Amb35664216 [0,0,0,1,0,0|2,0,1]=4 108 B13R1.3575 O=C(O)CCC1CCCCC1(F)F Amb28054695 [0,0,0,1,0,0|2,0,1]=4 109 B13R1.3575 O=C(O)CCC1CCCCS1(=O)=O Amb35672802 [0,0,0,1,0,0|1,0,1]=3 110 B13R1.3575 O=C(O)CCN1CCCCS1(=O)=O Amb8009368 [0,0,0,1,0,0|2,0,1]=4 111 B13R1.3576 CC(=O)N1CCCC1CCC(=O)O Amb31185795 [0,0,0,1,0,0|2,0,0]=3 112 B13R1.3576 CN(C)C1CCCC1CCC(=O)O Amb18191349 [0,0,0,1,0,0|3,0,0]=4 113 B13R1.3576 NC(=O)NCC1CCCC1C(=O)O Amb27869176 [0,0,0,1,0,0|2,0,0]=3 114 B13R1.3576 O=C(O)C\C=C1\CCCC1C(=O)O Amb27447888 [0,0,0,1,0,0|0,0,2]=3 115 B13R1.3576 O=C(O)\C=C\[C@H]1CCN[C@@H]1C(=O)O Amb28411179 [0,0,0,1,0,0|1,0,2]=4 116 B13R1.8832 O=C(O)CC1CCCCCC1(F)F Amb27209102 [0,0,0,1,0,0|2,0,1]=4 117 B13R1.8832 O=C(O)CN1CCCCCS1(=O)=O Amb24473243 [0,0,0,1,0,0|2,0,1]=4 118 B11R0.30 C=C(Cl)CCCCCCC(=O)O Amb6299583 [0,0,0,0,1,0|2,0,0]=3 119 B11R0.30 CC(=O)CCCCCCC(=O)O Amb28653044 [0,0,0,0,1,0|1,0,0]=2 120 B11R0.30 CC(=O)CCCCCCC(C)=O Amb21962685 [0,0,0,0,1,0|2,0,0]=3 121 B11R0.30 CC(=O)NCCCCCC(=O)O Amb1208026 [0,0,0,0,1,0|2,0,0]=3 122 B11R0.30 CC(=O)NCCCCCC(=O)O Amb33513104 [0,0,0,0,1,0|2,0,0]=3 123 B11R0.30 CC(=O)NCCCCCC(N)=O Amb8998167 [0,0,0,0,1,0|3,0,0]=4 124 B11R0.30 N=C(N)NCCCCCC(=O)O Amb20621391 [0,0,0,0,1,0|3,0,0]=4 125 B11R0.30 N=C(N)NCCCCCC(=O)O Amb31291051 [0,0,0,0,1,0|3,0,0]=4 126 B11R0.30 NC(=O)NCCCCCC(=O)O Amb440324 [0,0,0,0,1,0|2,0,0]=3 127 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl Amb8514533 [0,0,0,0,1,0|2,0,0]=3 128 B11R0.30 O=C(O)CCCCCCC(=O)O Amb533225 [0,0,0,0,1,0|0,0,0]=1 129 B11R0.30 O=C(O)CCCSCCC(=O)O Amb17501237 [0,0,0,0,1,0|1,0,0]=2 130 B11R0.30 O=C(O)CCSSCCC(=O)O Amb3941592 [0,0,0,0,1,0|2,0,0]=3 131 B11R0.30 O=C(O)CC\C=C\CCC(=O)O Amb33986633 [0,0,0,0,1,0|0,0,2]=3 132 B11R0.30 O=C(O)CNCCNCC(=O)O Amb8513678 [0,0,0,0,1,0|2,0,0]=3 133 B11R0.30 O=C(O)COCCOCC(=O)O Amb6608730 [0,0,0,0,1,0|2,0,0]=3 134 B11R0.30 O=C(O)CSCCSCC(=O)O Amb6366454 [0,0,0,0,1,0|2,0,0]=3 135 B13R0.179 CC(=O)NCCOCCOCC(=O)O Amb33231122 [0,0,0,0,0,1|3,0,0]=4 136 B13R0.179 CC(=O)OCCCCCCOC(C)=O Amb9787141 [0,0,0,0,0,1|3,0,0]=4 137 B13R0.179 CC(Br)CCCCCCCCC(=O)O Amb8487858 [0,0,0,0,0,1|2,0,1]=4 138 B13R0.179 NC(=O)CCCCCCCCC(N)=O Amb6366826 [0,0,0,0,0,1|2,0,0]=3 139 B13R0.179 O=C(Cl)CCCCCCCCC(=O)Cl Amb6608951 [0,0,0,0,0,1|2,0,0]=3 140 B13R0.179 O=C(O)C#CCCCCC#CC(=O)O Amb27607681 [0,0,0,0,0,1|0,0,3]=4 141 B13R0.179 O=C(O)CCCCCCCCC(=O)O Amb4037061 [0,0,0,0,0,1|0,0,0]=1 142 B13R0.179 O=C(O)CCCSSCCCC(=O)O Amb8513077 [0,0,0,0,0,1|1,0,0]=2 143 B13R0.179 O=C(O)CCOCCOCCC(=O)O Amb21982697 [0,0,0,0,0,1|1,0,0]=2 144 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] Amb22168122 [0,0,0,0,0,1|0,0,2]=3 145 B10R0.4 C=CCOCCCCC(=O)O Amb9208690 [2,0,0,0,0,0|1,0,1]=4 146 B10R0.4 CC(=O)NCCCCCC=O Amb24113371 [2,0,0,0,0,0|2,0,0]=4 147 B10R0.4 CC(=O)NCCCCCCO Amb24113372 [2,0,0,0,0,0|2,0,0]=4 148 B10R0.4 CCCCCCCCC(=O)Cl Amb3941485 [2,0,0,0,0,0|1,0,1]=4 149 B10R0.4 CCCCCCCCC(=O)O Amb3940373 [2,0,0,0,0,0|0,0,1]=3 150 B10R0.4 CCCCCCCCC(=O)[O-] Amb22729912 [2,0,0,0,0,0|0,0,2]=4 151 B10R0.4 CCCCCCCCC(C)=O Amb8513861 [2,0,0,0,0,0|1,0,1]=4 152 B10R0.4 CCCCCCCCC(N)=O Amb8999041 [2,0,0,0,0,0|1,0,1]=4 153 B10R0.4 CCCCCCNCC(=O)O Amb8827565 [2,0,0,0,0,0|1,0,1]=4 154 B10R0.4 CCCCCCOCC(=O)O Amb7790032 [2,0,0,0,0,0|1,0,1]=4 155 B10R0.4 CCCCCNCCC(=O)O Amb7755694 [2,0,0,0,0,0|1,0,1]=4 156 B10R0.4 CCCCSCCCC(=O)O Amb9280591 [2,0,0,0,0,0|1,0,1]=4 157 B10R0.4 CCOCCCCCC(=O)O Amb22234334 [2,0,0,0,0,0|1,0,1]=4 158 B10R0.4 CSCCCCCCC(=O)O Amb28652939 [2,0,0,0,0,0|1,0,1]=4 159 B10R0.4 NCCCCCCCC(=O)O Amb19929586 [2,0,0,0,0,0|1,0,0]=3 160 B10R0.4 NCCCCCCCC(=O)O Amb1994908 [2,0,0,0,0,0|1,0,0]=3 161 B10R0.4 NCCCCCCNC(=O)O Amb22494605 [2,0,0,0,0,0|2,0,0]=4 162 B10R0.4 NCCCNCCCC(=O)O Amb18183427 [2,0,0,0,0,0|2,0,0]=4 163 B10R0.4 NCCCNCCCC(=O)O Amb33172775 [2,0,0,0,0,0|2,0,0]=4 164 B10R0.4 NCCCOCCCC(=O)O Amb18111568 [2,0,0,0,0,0|2,0,0]=4 165 B10R0.4 NCCCSCCCC(=O)O Amb17500719 [2,0,0,0,0,0|2,0,0]=4 166 B10R0.4 O=C(O)CCCCCCCBr Amb3940372 [2,0,0,0,0,0|1,0,0]=3 167 B10R0.4 O=C(O)CCCCCCCO Amb2688777 [2,0,0,0,0,0|0,0,0]=2 168 B10R0.4 O=C(O)CCCCOCCO Amb7782972 [2,0,0,0,0,0|1,0,0]=3 169 B10R0.4 O=C(O)CCCSCCCO Amb17502860 [2,0,0,0,0,0|1,0,0]=3 170 B10R0.4 O=C(O)COCCOCCO Amb24057830 [2,0,0,0,0,0|2,0,0]=4 171 B10R0.4 O=C([O-])CCCCCCCO Amb33513015 [2,0,0,0,0,0|0,0,1]=3 172 B10R0.4 O=C=NCCCCCC(=O)O Amb32667106 [2,0,0,0,0,0|1,0,1]=4 173 B10R0.71 C=CCCCCCCCC=O Amb22734770 [2,0,0,0,0,0|1,0,0]=3 174 B10R0.71 C=CCCCCCCCCO Amb6364973 [2,0,0,0,0,0|1,0,1]=4 175 B10R0.71 CCCCCCCCCC=O Amb3940437 [2,0,0,0,0,0|1,0,1]=4 176 B10R0.71 OCCCCCCCCCO Amb2721246 [2,0,0,0,0,0|0,0,2]=4 177 B12R0.4 CCCCCCCC(N)CC(=O)O Amb32666363 [1,1,0,0,0,0|1,0,1]=4 178 B12R0.4 CCCCCCCC(N)CC(=O)O Amb33141063 [1,1,0,0,0,0|1,0,1]=4 179 B12R0.4 CCCCCCCC(N)CC(=O)O Amb33533164 [1,1,0,0,0,0|1,0,1]=4 180 B12R0.4 CCCCCCCC(O)CC(=O)O Amb19071697 [1,1,0,0,0,0|1,0,1]=4 181 B12R0.4 CCCCCCC[C@@H](N)CC(=O)O Amb33172824 [1,1,0,0,0,0|1,0,1]=4 182 B12R0.4 CCCCCCC[C@@H](N)CC(=O)O Amb33172825 [1,1,0,0,0,0|1,0,1]=4 183 B12R0.4 CCCCCCC[C@H](O)CC(=O)O Amb33620732 [1,1,0,0,0,0|1,0,1]=4 184 B12R0.233 C=CCCCC(O)CCCC(=O)[O-] Amb32751163 [1,1,0,0,0,0|1,0,1]=4 185 B12R0.234 C#CCCCCCCCCC(=O)O Amb536933 [1,1,0,0,0,0|1,0,1]=4 186 B12R0.234 C=CCCCCCCCCC(=O)Cl Amb2721637 [1,1,0,0,0,0|2,0,0]=4 187 B12R0.234 C=CCCCCCCCCC(=O)O Amb533736 [1,1,0,0,0,0|1,0,0]=3 188 B12R0.234 CC#CCCCCCCCC(=O)O Amb6565389 [1,1,0,0,0,0|1,0,1]=4 189 B12R0.234 CCCCCCCCCCC(=O)O Amb3941499 [1,1,0,0,0,0|1,0,1]=4 190 B12R0.234 CCCCCCCCOCC(=O)O Amb7790043 [1,1,0,0,0,0|1,0,1]=4 191 B12R0.234 N#CCCCCCCCCC(=O)O Amb4008315 [1,1,0,0,0,0|1,0,1]=4 192 B12R0.234 NCCCCCCCCCC(=O)O Amb2229638 [1,1,0,0,0,0|1,0,1]=4 193 B12R0.234 NCCCCCCCCCC(=O)O Amb31030991 [1,1,0,0,0,0|1,0,1]=4 194 B12R0.234 O=C(O)CCCCCCCC#CBr Amb32422815 [1,1,0,0,0,0|1,0,1]=4 195 B12R0.234 O=C(O)CCCCCCCCCBr Amb4014619 [1,1,0,0,0,0|1,0,1]=4 196 B12R0.234 O=C(O)CCCCCCCCCO Amb3940517 [1,1,0,0,0,0|0,0,1]=3 197 B12R0.234 O=C(O)CCCCCCCN=C=S Amb33471542 [1,1,0,0,0,0|0,1,1]=4 198 B12R0.234 O=C(O)\C=C\CCCCCCCO Amb33757093 [1,1,0,0,0,0|0,0,2]=4 199 B12R0.234 O=C=NCCCCCCCC(=O)O Amb32665820 [1,1,0,0,0,0|0,0,1]=3 200 B12R0.234 [N-]=[N+]=NCCCCCCCC(=O)O Amb34932690 [1,1,0,0,0,0|2,0,0]=4 201 B12R0.248 C=CCCCCCCCC(=O)OC Amb533244 [1,1,0,0,0,0|1,0,0]=3 202 B12R0.248 CCCCCCCCCC(=O)NO Amb33548521 [1,1,0,0,0,0|1,0,1]=4 203 B12R0.248 CCCCCCCCCC(=O)OC Amb4378003 [1,1,0,0,0,0|1,0,1]=4 204 B12R0.248 COC(=O)CCCCCCCC=O Amb8391799 [1,1,0,0,0,0|0,0,0]=2 205 B12R0.248 COC(=O)CCCCCCCCBr Amb34913614 [1,1,0,0,0,0|1,0,1]=4 206 B12R0.248 COC(=O)CCCCCCCCO Amb17616943 [1,1,0,0,0,0|0,0,1]=3 207 B12R0.251 C=CCCCCCC[C@@H](N)C(=O)O Amb33802212 [1,1,0,0,0,0|1,0,0]=3 208 B12R0.251 C=CCCCCCC[C@H](N)C(=O)O Amb33802213 [1,1,0,0,0,0|1,0,0]=3 209 B12R0.251 CCCCCCCCC(Br)C(=O)O Amb22347926 [1,1,0,0,0,0|1,0,1]=4 210 B12R0.251 CCCCCCCCC(C)C(=O)O Amb19058533 [1,1,0,0,0,0|1,0,1]=4 211 B12R0.251 CCCCCCCCC(N)C(=O)O Amb4134809 [1,1,0,0,0,0|1,0,1]=4 212 B12R0.251 CCCCCCCCC(O)C(=O)O Amb6295799 [1,1,0,0,0,0|1,0,1]=4 213 B12R0.251 CCCCCCCC[C@@H](N)C(=O)O Amb22745440 [1,1,0,0,0,0|1,0,1]=4 214 B12R0.251 CCCCCCCC[C@H](N)C(=O)O Amb28974737 [1,1,0,0,0,0|1,0,1]=4 215 B12R0.255 CCCCCCC(O)CCC(=O)O Amb19071689 [1,1,0,0,0,0|1,0,1]=4 216 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O Amb24323525 [0,1,0,0,1,0|2,0,0]=4 217 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O Amb3499375 [0,1,0,0,1,0|2,0,0]=4 218 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O Amb6364971 [0,1,0,0,1,0|2,0,0]=4 219 B12R0.42 NC(=O)NCCCCC(N)C(=O)O Amb6340311 [0,1,0,0,1,0|2,0,0]=4 220 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O Amb16183831 [0,1,0,0,1,0|2,0,0]=4 221 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O Amb16184037 [0,1,0,0,1,0|2,0,0]=4 222 B12R0.42 NC(CCCCCC(=O)O)C(=O)O Amb10807509 [0,1,0,0,1,0|0,0,0]=2 223 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O Amb17678794 [0,1,0,0,1,0|0,0,0]=2 224 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O Amb33757551 [0,1,0,0,1,0|0,0,0]=2 225 B12R0.42 O=C(O)CCCSCC(=O)C(=O)O Amb33069687 [0,1,0,0,1,0|1,0,1]=4 226 B12R0.44 CN(CCCC(=O)O)CCC(=O)O Amb17561253 [0,1,0,0,1,0|1,0,0]=3 227 B12R0.44 O=C(O)CCNC(=O)CCC(=O)O Amb19060266 [0,1,0,0,1,0|1,0,1]=4 228 B12R0.137 NS(=O)(=O)CCCCCCC(=O)O Amb26304268 [0,1,0,0,1,0|1,0,1]=4 229 B14R0.305 COC(=O)CCCCCCCCC(=O)O Amb6366515 [0,1,0,0,0,1|0,0,0]=2 230 B14R0.305 O=C(O)CCCCCCCCC(O)CO Amb9786104 [0,1,0,0,0,1|0,0,2]=4 231 B14R0.549 NC(CCSCCCCC(=O)O)C(=O)O Amb24094996 [0,1,0,0,0,1|0,0,0]=2 232 B14R0.551 O=C(O)CCCCCC(=O)CCC(=O)O Amb4036587 [0,1,0,0,0,1|0,0,0]=2 233 B14R0.400 N[C@@H](CCOC(=O)CCC(=O)O)C(=O)O Amb22748393 [0,2,0,0,0,0|1,0,1]=4 234 B14R0.405 CC(CCCCCC(C)C(=O)O)C(=O)O Amb2613673 [0,2,0,0,0,0|0,0,0]=2 235 B14R0.405 NC(CCCCCC(N)C(=O)O)C(=O)O Amb1054832 [0,2,0,0,0,0|0,0,0]=2 236 B14R0.405 N[C@@H](CCCCC[C@@H](N)C(=O)O)C(=O)O Amb22745443 [0,2,0,0,0,0|0,0,0]=2 237 B14R0.64 COC(CCCCCCCC(=O)O)OC Amb31030989 [0,2,0,0,0,0|0,0,2]=4 238 B14R0.197 COC(=O)CCCCCCCC(=O)OC Amb9787239 [0,2,0,0,0,0|0,0,0]=2 239 B14R0.197 COC(=O)CSCCCSCC(=O)OC Amb23590658 [0,2,0,0,0,0|2,0,0]=4 240 B14R0.197 COC(=O)\C=C\CCCCCC(=O)OC Amb32674672 [0,2,0,0,0,0|0,0,2]=4 241 B14R0.197 NNC(=O)CCCCCCCC(=O)NN Amb841514 [0,2,0,0,0,0|2,0,0]=4 242 B14R0.2672 O=C(O)CCCS(=O)(=O)CCCC(=O)O Amb17503695 [0,2,0,0,0,0|1,0,0]=3 243 B12R1.7 CCCCCCC1CCC(=O)O1 Amb569753 [1,0,0,1,0,0|1,0,1]=4 244 B12R1.28 CCCCCC1CCCC(=O)O1 Amb4493671 [1,0,0,1,0,0|1,0,1]=4 245 B12R1.75 CC(=O)C[C@H]1CCCC[C@H]1C=O Amb28429561 [1,0,0,1,0,0|1,0,0]=3 246 B12R1.75 CC(=O)NC1CCCCC1C=O Amb28120088 [1,0,0,1,0,0|2,0,0]=4 247 B12R1.75 CC(=O)N[C@@H]1CCCC[C@H]1C=O Amb27776856 [1,0,0,1,0,0|2,0,0]=4 248 B12R1.75 CC(=O)OC1CCCCC1C=O Amb18647323 [1,0,0,1,0,0|2,0,0]=4 249 B12R1.75 CCC1CCCCC1CC(=O)O Amb25152261 [1,0,0,1,0,0|1,0,1]=4 250 B12R1.75 N#CC1CCCCC1CC(=O)O Amb18827227 [1,0,0,1,0,0|1,0,1]=4 251 B12R1.75 NCC1CCCCC1CC(=O)O Amb10843836 [1,0,0,1,0,0|1,0,1]=4 252 B12R1.75 NNC1CCCCC1CC(=O)O Amb27960868 [1,0,0,1,0,0|2,0,0]=4 253 B12R1.75 NN[C@H]1CCCC[C@H]1CC(=O)O Amb27789570 [1,0,0,1,0,0|2,0,0]=4 254 B12R1.75 O=C(O)CC1CCCCC1CO Amb27392264 [1,0,0,1,0,0|0,0,1]=3 255 B12R1.75 O=C(O)CC1CCCC\C1=N/O Amb27974144 [1,0,0,1,0,0|1,0,1]=4 256 B12R1.75 O=C(O)CN1CCCCC1CO Amb18294605 [1,0,0,1,0,0|1,0,1]=4 257 B12R1.75 O=CN1CCSCC1CC(=O)O Amb28284865 [1,0,0,1,0,0|2,0,0]=4 258 B12R1.81 O=C(O)CCC1CCC\C1=N/O Amb27233661 [1,0,0,1,0,0|1,0,1]=4 259 B12R1.125 C=C(C)CCC1CCCCC1=O Amb28381254 [1,0,0,1,0,0|2,0,0]=4 260 B12R1.125 C=C1CCCCC1CCC(C)=O Amb27861159 [1,0,0,1,0,0|2,0,0]=4 261 B12R1.125 C=C1CCCCC1CCC(N)=O Amb28054855 [1,0,0,1,0,0|2,0,0]=4 262 B12R1.125 CC(=O)CCC1CCCNC1=O Amb18826001 [1,0,0,1,0,0|2,0,0]=4 263 B12R1.125 CC(=O)CC[C@@H]1CCCCC1=O Amb28202304 [1,0,0,1,0,0|1,0,0]=3 264 B12R1.125 CN1CCCCC1CCC(=O)O Amb10607785 [1,0,0,1,0,0|2,0,0]=4 265 B12R1.125 CN1CCCCC1CCC(=O)O Amb13949149 [1,0,0,1,0,0|2,0,0]=4 266 B12R1.125 CN1CCCCC1CCC(=O)O Amb28555723 [1,0,0,1,0,0|2,0,0]=4 267 B12R1.125 CS(=O)CCC1CCCCC1=O Amb28142474 [1,0,0,1,0,0|2,0,0]=4 268 B12R1.125 NC1CCCCC1CCC(=O)O Amb28872362 [1,0,0,1,0,0|1,0,1]=4 269 B12R1.125 NC1CCCCC1CCC(=O)O Amb6739962 [1,0,0,1,0,0|1,0,1]=4 270 B12R1.125 O=C(Cl)CCN1CCCCC1=O Amb22741283 [1,0,0,1,0,0|2,0,0]=4 271 B12R1.125 O=C(O)CCC1=CCCCC1=O Amb18646934 [1,0,0,1,0,0|0,0,2]=4 272 B12R1.125 O=C(O)CCC1CCCCC1=O Amb2721886 [1,0,0,1,0,0|0,0,0]=2 273 B12R1.125 O=C(O)CCC1CCCCC1F Amb27636457 [1,0,0,1,0,0|1,0,1]=4 274 B12R1.125 O=C(O)CCC1CCCCC1O Amb27426758 [1,0,0,1,0,0|0,0,1]=3 275 B12R1.125 O=C(O)CCC1CCOCC1=O Amb18198355 [1,0,0,1,0,0|1,0,0]=3 276 B12R1.125 O=C(O)CCC1CCSCC1=O Amb18820771 [1,0,0,1,0,0|1,0,0]=3 277 B12R1.125 O=C(O)CCC1COCCC1=O Amb18198354 [1,0,0,1,0,0|1,0,0]=3 278 B12R1.125 O=C(O)CCC1CSCCC1=O Amb18820772 [1,0,0,1,0,0|1,0,0]=3 279 B12R1.125 O=C(O)CCN1CCCCC1=O Amb6739919 [1,0,0,1,0,0|1,0,0]=3 280 B12R1.125 O=C(O)CCN1CCCCC1=S Amb27392329 [1,0,0,1,0,0|1,1,0]=4 281 B12R1.125 O=C(O)CCN1CCCOC1=O Amb18975906 [1,0,0,1,0,0|2,0,0]=4 282 B12R1.125 O=C(O)CCN1CCNCC1=O Amb24394797 [1,0,0,1,0,0|2,0,0]=4 283 B12R1.125 O=C(O)CCN1CCOCC1=O Amb18254563 [1,0,0,1,0,0|2,0,0]=4 284 B12R1.125 O=C(O)CC[C@@H]1CCCC[C@@H]1O Amb27210572 [1,0,0,1,0,0|0,0,1]=3 285 B12R1.125 O=C(O)CC[C@@H]1CCCSC1=O Amb27252135 [1,0,0,1,0,0|1,0,0]=3 286 B12R1.125 O=C(O)CC[C@H]1CCCC[C@H]1O Amb27444151 [1,0,0,1,0,0|0,0,1]=3 287 B12R1.125 O=C(O)CC[C@H]1NCCC[C@@H]1O Amb28244797 [1,0,0,1,0,0|1,0,1]=4 288 B12R1.125 O=C(O)CSC1CCCCC1O Amb10808762 [1,0,0,1,0,0|1,0,1]=4 289 B12R1.130 CC(=O)NCCC1CCCC1=O Amb27793453 [1,0,0,1,0,0|2,0,0]=4 290 B12R1.130 CN1CCCC1CCCC(=O)O Amb33322235 [1,0,0,1,0,0|2,0,0]=4 291 B12R1.130 O=C(O)CCCN1CCCC1=O Amb1130787 [1,0,0,1,0,0|1,0,0]=3 292 B12R1.130 O=C(O)CCCN1CCOC1=O Amb6673444 [1,0,0,1,0,0|2,0,0]=4 293 B12R1.130 O=C(O)CCSC1CCCC1=O Amb16230793 [1,0,0,1,0,0|1,0,0]=3 294 B12R1.130 O=C(O)COCN1CCCC1=O Amb32946170 [1,0,0,1,0,0|2,0,0]=4 295 B12R1.130 O=C(O)\C=C\CC1CCCC1=O Amb25772855 [1,0,0,1,0,0|0,0,2]=4 296 B12R1.141 CC1=CC(=O)CCCCCCC1 Amb28253959 [1,0,0,1,0,0|2,0,0]=4 297 B12R1.141 O=C1CCCCCCCC(=O)O1 Amb26420851 [1,0,0,1,0,0|0,0,0]=2 298 B12R1.141 O=C1CCCCCCCC(O)C1 Amb27262870 [1,0,0,1,0,0|1,0,1]=4 299 B12R1.141 O=C1CCCCCCOC(=O)C1 Amb27177481 [1,0,0,1,0,0|2,0,0]=4 300 B12R1.170 C=CCC1CCCCCC(=O)C1 Amb28253648 [1,0,0,1,0,0|2,0,0]=4 301 B12R1.210 C=C(C)CC1CCCCCC1=O Amb18798683 [1,0,0,1,0,0|2,0,0]=4 302 B12R1.210 CC(=O)O[C@@H]1CCCCCC1=O Amb27177916 [1,0,0,1,0,0|2,0,0]=4 303 B12R1.210 CC1=C(CC(=O)O)CCCCC1 Amb27614696 [1,0,0,1,0,0|1,0,1]=4 304 B12R1.210 CC1CCCCCC1CC(=O)O Amb29865063 [1,0,0,1,0,0|1,0,1]=4 305 B12R1.210 CN1CCCCCC1CC(=O)O Amb28250660 [1,0,0,1,0,0|2,0,0]=4 306 B12R1.210 NC(=O)CN1CCCCCC1=O Amb541239 [1,0,0,1,0,0|2,0,0]=4 307 B12R1.210 NC1CCCCCC1CC(=O)O Amb27178104 [1,0,0,1,0,0|1,0,1]=4 308 B12R1.210 N[C@@H]1CCCCC[C@@H]1CC(=O)O Amb27816143 [1,0,0,1,0,0|1,0,1]=4 309 B12R1.210 O=C(O)CC1CC=CCCC1=O Amb28138059 [1,0,0,1,0,0|0,0,2]=4 310 B12R1.210 O=C(O)CC1CCCCCC1=O Amb18825694 [1,0,0,1,0,0|0,0,0]=2 311 B12R1.210 O=C(O)CC1CCCCCC1O Amb18198284 [1,0,0,1,0,0|0,0,1]=3 312 B12R1.210 O=C(O)CC1CCCCNC1=O Amb27161233 [1,0,0,1,0,0|1,0,0]=3 313 B12R1.210 O=C(O)CC1CCNCCC1=O Amb24667785 [1,0,0,1,0,0|1,0,0]=3 314 B12R1.210 O=C(O)CN1CCCCCC1=O Amb415920 [1,0,0,1,0,0|1,0,0]=3 315 B12R1.210 O=C(O)CN1CCCNCC1=O Amb27965728 [1,0,0,1,0,0|2,0,0]=4 316 B12R1.210 O=C(O)CN1CCNCCC1=O Amb27665814 [1,0,0,1,0,0|2,0,0]=4 317 B12R1.210 O=C(O)C[C@@H]1CCCCOC1=O Amb27389145 [1,0,0,1,0,0|1,0,0]=3 318 B12R1.210 O=C(O)\C=C1\CCCCCC1=O Amb29873240 [1,0,0,1,0,0|0,0,2]=4 319 B12R1.212 C=C(C)C1CCCCCCC1=O Amb28243905 [1,0,0,1,0,0|2,0,0]=4 320 B12R1.212 CC(=O)C1=C(O)CCCCCC1 Amb27854664 [1,0,0,1,0,0|1,0,1]=4 321 B12R1.212 C\C(O)=C1/CCCCCCC1=O Amb27175968 [1,0,0,1,0,0|1,0,1]=4 322 B12R1.212 NC(=O)C1CCCCCCC1O Amb27178181 [1,0,0,1,0,0|1,0,1]=4 323 B12R1.212 NC(=O)[C@@H]1CCCCCC[C@@H]1O Amb27974099 [1,0,0,1,0,0|1,0,1]=4 324 B12R1.212 NC(=O)[C@H]1CCCCCC[C@@H]1O Amb28323009 [1,0,0,1,0,0|1,0,1]=4 325 B12R1.212 NC1CCCCCCC1C(=O)O Amb20667806 [1,0,0,1,0,0|1,0,1]=4 326 B12R1.212 NC1CCCCCCC1C(=O)O Amb22059713 [1,0,0,1,0,0|1,0,1]=4 327 B12R1.212 N[C@@H]1CCCCCC[C@@H]1C(=O)O Amb1993853 [1,0,0,1,0,0|1,0,1]=4 328 B12R1.212 N[C@@H]1CCCCCC[C@@H]1C(=O)O Amb1994005 [1,0,0,1,0,0|1,0,1]=4 329 B12R1.212 N[C@H]1CCCCCC[C@H]1C(=O)O Amb1993854 [1,0,0,1,0,0|1,0,1]=4 330 B12R1.212 O=C1CCCCCCC1[N+](=O)[O-] Amb28410728 [1,0,0,1,0,0|1,0,1]=4 331 B12R1.252 O=C(O)CCCC1CC=CCC1 Amb33358970 [1,0,0,1,0,0|1,0,1]=4 332 B12R1.252 O=C(O)CCCC1CCCCC1 Amb4007236 [1,0,0,1,0,0|1,0,1]=4 333 B12R1.252 O=C(O)CCCC1CCCCN1 Amb1101084 [1,0,0,1,0,0|1,0,1]=4 334 B12R1.252 O=C(O)CCCC1CCCCN1 Amb22284114 [1,0,0,1,0,0|1,0,1]=4 335 B12R1.252 O=C(O)CCCC1CCCCO1 Amb33377395 [1,0,0,1,0,0|0,0,1]=3 336 B12R1.252 O=C(O)CCCC1CCCOC1 Amb33358265 [1,0,0,1,0,0|2,0,0]=4 337 B12R1.252 O=C(O)CCCC1CCCSC1 Amb33079061 [1,0,0,1,0,0|2,0,0]=4 338 B12R1.252 O=C(O)CCOC1CCCCO1 Amb24120644 [1,0,0,1,0,0|1,0,1]=4 339 B12R1.252 O=C(O)COCC1CCCCO1 Amb9716871 [1,0,0,1,0,0|1,0,1]=4 340 B12R1.252 O=C(O)CSCC1CCCCO1 Amb9008344 [1,0,0,1,0,0|1,0,1]=4 341 B12R1.255 O=C(O)CCCCC1CCCC1 Amb33229242 [1,0,0,1,0,0|1,0,1]=4 342 B12R1.255 O=C(O)CCCCC1CCOC1 Amb33229236 [1,0,0,1,0,0|2,0,0]=4 343 B12R1.255 O=C(O)CCCCC1CCSS1 Amb1152511 [1,0,0,1,0,0|1,1,0]=4 344 B12R1.255 O=C(O)CCCCC1OCCO1 Amb28079380 [1,0,0,1,0,0|1,0,1]=4 345 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 Amb553489 [1,0,0,1,0,0|1,1,0]=4 346 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 Amb17616537 [1,0,0,1,0,0|1,1,0]=4 347 B12R1.255 O=C(O)CCNCC1CCCO1 Amb7755703 [1,0,0,1,0,0|1,0,1]=4 348 B12R1.255 O=C(O)CCOCC1CCCO1 Amb6274081 [1,0,0,1,0,0|1,0,1]=4 349 B12R1.255 O=C(O)CCSCC1CCCO1 Amb9723634 [1,0,0,1,0,0|1,0,1]=4 350 B12R1.283 C=CCC1CCCCC1C(=O)O Amb18646999 [1,0,0,1,0,0|1,0,0]=3 351 B12R1.283 C=CCN1CCCCC1C(=O)O Amb2382768 [1,0,0,1,0,0|2,0,0]=4 352 B12R1.283 CC(=O)[C@@H]1CCCC[C@H]1CC=O Amb27195918 [1,0,0,1,0,0|1,0,0]=3 353 B12R1.283 O=C(O)C1CCCCC1\C=C\Cl Amb27190721 [1,0,0,1,0,0|1,0,1]=4 354 B12R1.289 O=CNC1CCCC1CC(=O)O Amb29863705 [1,0,0,1,0,0|1,0,0]=3 355 B12R1.289 O=CN[C@@H]1CCC[C@H]1CC(=O)O Amb35603999 [1,0,0,1,0,0|1,0,0]=3 356 B12R1.321 C=CCCC1CCCCC(=O)C1 Amb27951458 [1,0,0,1,0,0|2,0,0]=4 357 B12R1.321 CCCCC1CCCCC(=O)O1 Amb22230135 [1,0,0,1,0,0|1,0,1]=4 358 B12R1.321 O=C1CCCCC(CCCCl)O1 Amb27974145 [1,0,0,1,0,0|1,0,1]=4 359 B12R1.321 O=C1CCCCC(CCCO)N1 Amb18825414 [1,0,0,1,0,0|1,0,1]=4 360 B12R1.321 O=C1CCCCC(CCCO)O1 Amb27206114 [1,0,0,1,0,0|0,0,1]=3 361 B12R1.405 CO[C@H]1CCCCC[C@H]1C(=O)O Amb27489023 [1,0,0,1,0,0|2,0,0]=4 362 B12R1.405 CSC1CCCCCC1C(=O)O Amb18967402 [1,0,0,1,0,0|2,0,0]=4 363 B12R1.407 C[C@@H]1CCCCCC[C@H](C=O)O1 Amb27799682 [1,0,0,1,0,0|1,0,1]=4 364 B12R1.1335 O=C(O)C1CCCCCCCN1 Amb27171757 [1,0,0,1,0,0|1,0,1]=4 365 B12R1.1343 O=C(O)CCC1CCCCCC1 Amb18825578 [1,0,0,1,0,0|1,0,1]=4 366 B12R1.1343 O=C(O)CCC1CCCCCN1 Amb18198528 [1,0,0,1,0,0|1,0,1]=4 367 B12R1.1392 O=C(O)CC1CCCCCCC1 Amb6749259 [1,0,0,1,0,0|1,0,1]=4 368 B12R1.1392 O=C(O)CC1CCCCCCO1 Amb27634953 [1,0,0,1,0,0|0,0,1]=3 369 B12R1.1392 O=C(O)C[C@H]1CCCCCCN1 Amb27985858 [1,0,0,1,0,0|1,0,1]=4 370 B12R1.1755 CCCCCC[C@@H]1C[C@H]1C(=O)O Amb33098453 [1,0,0,1,0,0|1,0,1]=4 371 B12R1.1755 CCCCCC[C@H]1C[C@H]1C(=O)O Amb33098421 [1,0,0,1,0,0|1,0,1]=4 372 B12R1.105 C[C@@H]1CCC(CCCC(=O)O)O1 Amb33224966 [0,0,0,1,1,0|1,0,1]=4 373 B12R1.105 O=C(O)CCCC1CCC(=O)N1 Amb18825449 [0,0,0,1,1,0|1,0,0]=3 374 B12R1.226 CC(=O)CCC1CCCC(=O)C1 Amb28202303 [0,0,0,1,1,0|2,0,0]=4 375 B12R1.226 O=C(O)CCC1=CC(=O)CCC1 Amb27444607 [0,0,0,1,1,0|1,0,1]=4 376 B12R1.226 O=C(O)CCC1CCCC(=O)C1 Amb18647388 [0,0,0,1,1,0|1,0,0]=3 377 B12R1.226 O=C(O)CCC1CCCC(=O)N1 Amb18825448 [0,0,0,1,1,0|1,0,0]=3 378 B12R1.226 O=C(O)CCC1CCCC(O)O1 Amb27845405 [0,0,0,1,1,0|0,0,2]=4 379 B12R1.261 CC(=O)C1CCCCC1C(=O)O Amb25966565 [0,0,0,1,1,0|1,0,0]=3 380 B12R1.261 CC(=O)C1CCCCC1C(C)=O Amb28397272 [0,0,0,1,1,0|2,0,0]=4 381 B12R1.261 CC(=O)N1CCCCC1C(=O)O Amb9703955 [0,0,0,1,1,0|2,0,0]=4 382 B12R1.261 CC(=O)N1CCCC[C@@H]1C(=O)O Amb25715695 [0,0,0,1,1,0|2,0,0]=4 383 B12R1.261 CC(=O)[C@@H]1CCCC[C@@H]1C(=O)O Amb27632423 [0,0,0,1,1,0|1,0,0]=3 384 B12R1.261 CC(=O)[C@H]1CCCC[C@@H]1C(=O)O Amb27965025 [0,0,0,1,1,0|1,0,0]=3 385 B12R1.261 CC(=O)[C@H]1CCCC[C@@H]1C(C)=O Amb27789988 [0,0,0,1,1,0|2,0,0]=4 386 B12R1.261 NC(=O)C1CCCCC1C(=O)O Amb2732939 [0,0,0,1,1,0|1,0,0]=3 387 B12R1.261 NC(=O)N1CCCCC1C(=O)O Amb9705058 [0,0,0,1,1,0|2,0,0]=4 388 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O Amb25225612 [0,0,0,1,1,0|1,0,0]=3 389 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O Amb22737172 [0,0,0,1,1,0|1,0,0]=3 390 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O Amb22737173 [0,0,0,1,1,0|1,0,0]=3 391 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(N)=O Amb27847555 [0,0,0,1,1,0|2,0,0]=4 392 B12R1.261 NC(=O)[C@H]1CCCC[C@H]1C(=O)O Amb28052093 [0,0,0,1,1,0|1,0,0]=3 393 B12R1.261 NC(=O)[C@H]1CCCC[C@H]1C(N)=O Amb27401895 [0,0,0,1,1,0|2,0,0]=4 394 B12R1.261 O=C(Cl)C1CCCCC1C(=O)Cl Amb25892633 [0,0,0,1,1,0|2,0,0]=4 395 B12R1.261 O=C(O)C1=CCCCC1C(=O)O Amb28436879 [0,0,0,1,1,0|0,0,2]=4 396 B12R1.261 O=C(O)C1CC=CCC1C(=O)O Amb4006794 [0,0,0,1,1,0|0,0,2]=4 397 B12R1.261 O=C(O)C1CCCCC1C(=O)O Amb2555292 [0,0,0,1,1,0|0,0,0]=2 398 B12R1.261 O=C(O)C1CCCC[C@@H]1C(=O)O Amb27445486 [0,0,0,1,1,0|0,0,0]=2 399 B12R1.261 O=C(O)C1CCCC[C@H]1C(=O)O Amb25329514 [0,0,0,1,1,0|0,0,0]=2 400 B12R1.261 O=C(O)C1CCCNC1C(=O)O Amb8393086 [0,0,0,1,1,0|1,0,0]=3 401 B12R1.261 O=C(O)C1CCNCC1C(=O)O Amb26371620 [0,0,0,1,1,0|1,0,0]=3 402 B12R1.261 O=C(O)C1CCNCC1C(=O)O Amb28653060 [0,0,0,1,1,0|1,0,0]=3 403 B12R1.261 O=C(O)C1CCSCC1C(=O)O Amb27445067 [0,0,0,1,1,0|1,0,0]=3 404 B12R1.261 O=C(O)C1OCCOC1C(=O)O Amb17594456 [0,0,0,1,1,0|2,0,0]=4 405 B12R1.261 O=C(O)[C@@H]1CC=CC[C@H]1C(=O)O Amb10606861 [0,0,0,1,1,0|0,0,2]=4 406 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O Amb30628538 [0,0,0,1,1,0|0,0,0]=2 407 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O Amb33523567 [0,0,0,1,1,0|0,0,0]=2 408 B12R1.261 O=C(O)[C@@H]1CCNC[C@@H]1C(=O)O Amb27477788 [0,0,0,1,1,0|1,0,0]=3 409 B12R1.261 O=C(O)[C@@H]1NCCN[C@H]1C(=O)O Amb8389051 [0,0,0,1,1,0|2,0,0]=4 410 B12R1.261 O=C(O)[C@H]1CC=CC[C@H]1C(=O)O Amb9826884 [0,0,0,1,1,0|0,0,2]=4 411 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O Amb3941630 [0,0,0,1,1,0|0,0,0]=2 412 B12R1.261 O=C(O)[C@H]1CCCC[C@H]1C(=O)O Amb4012860 [0,0,0,1,1,0|0,0,0]=2 413 B12R1.261 O=C(O)[C@H]1CCCN[C@H]1C(=O)O Amb22800779 [0,0,0,1,1,0|1,0,0]=3 414 B12R1.261 O=C(O)[C@H]1NCCC[C@H]1C(=O)O Amb8631044 [0,0,0,1,1,0|1,0,0]=3 415 B12R1.261 O=C(O)[C@H]1OCCO[C@H]1C(=O)O Amb27407708 [0,0,0,1,1,0|2,0,0]=4 416 B12R1.391 CC1(O)CCCCC1CC(=O)O Amb28385764 [0,0,0,1,1,0|1,0,1]=4 417 B12R1.391 C[C@@]1(O)CCCC[C@H]1CC(=O)O Amb24627167 [0,0,0,1,1,0|1,0,1]=4 418 B12R1.391 O=C(O)CC1CCCCS1(=O)=O Amb35732759 [0,0,0,1,1,0|1,0,1]=4 419 B12R1.392 C=C(C)CC1CCCC1C(=O)O Amb28059276 [0,0,0,1,1,0|2,0,0]=4 420 B12R1.392 CC(=O)C1CNCC1CC(=O)O Amb25674207 [0,0,0,1,1,0|2,0,0]=4 421 B12R1.392 CC(=O)CC1CCCC1C(C)=O Amb28253734 [0,0,0,1,1,0|2,0,0]=4 422 B12R1.392 CC(=O)C[C@@H]1CCCC1C(=O)O Amb28119794 [0,0,0,1,1,0|1,0,0]=3 423 B12R1.392 CC(=O)N[C@@H]1CCC[C@@H]1C(=O)O Amb26570377 [0,0,0,1,1,0|2,0,0]=4 424 B12R1.392 NC(=O)N[C@@H]1CCC[C@@H]1C(=O)O Amb30040185 [0,0,0,1,1,0|2,0,0]=4 425 B12R1.392 O=C(O)CC1=C(C(=O)O)CCC1 Amb24697653 [0,0,0,1,1,0|0,0,2]=4 426 B12R1.392 O=C(O)CC1CCCC1C(=O)O Amb26371587 [0,0,0,1,1,0|0,0,0]=2 427 B12R1.392 O=C(O)CN1CCCC1C(=O)O Amb24537597 [0,0,0,1,1,0|1,0,0]=3 428 B12R1.392 O=C(O)CN1CCC[C@@H]1C(=O)O Amb27854156 [0,0,0,1,1,0|1,0,0]=3 429 B12R1.392 O=C(O)C[C@@H]1CNN[C@H]1C(=O)O Amb27858487 [0,0,0,1,1,0|2,0,0]=4 430 B12R1.392 O=C(O)C[C@H]1CCN[C@H]1C(=O)O Amb27659001 [0,0,0,1,1,0|1,0,0]=3 431 B12R1.874 CC(=O)C[C@H]1CCCCC(=O)C1 Amb28144126 [0,0,0,1,1,0|2,0,0]=4 432 B12R1.874 NC(=O)CC1CCCCC(=O)N1 Amb27946597 [0,0,0,1,1,0|2,0,0]=4 433 B12R1.874 O=C(O)CC1CCCCC(=O)N1 Amb26051590 [0,0,0,1,1,0|1,0,0]=3 434 B12R1.874 O=C(O)CC1CCCNC(=O)C1 Amb25322054 [0,0,0,1,1,0|2,0,0]=4 435 B12R1.924 O=C(O)CCC1CCCS1(=O)=O Amb35736001 [0,0,0,1,1,0|1,0,1]=4 436 B12R1.1011 CC(=O)C1CCCCCC(=O)C1 Amb27211944 [0,0,0,1,1,0|2,0,0]=4 437 B12R1.1011 NC(=O)C1CCCCCC(=O)C1 Amb27207261 [0,0,0,1,1,0|2,0,0]=4 438 B12R1.1011 O=C1CCCCCC(C(=O)O)C1 Amb25187509 [0,0,0,1,1,0|1,0,0]=3 439 B12R1.1011 O=C1CCSCCC(C(=O)O)N1 Amb27166504 [0,0,0,1,1,0|2,0,0]=4 440 B12R1.1011 O=C1CCSCC[C@H](C(=O)O)N1 Amb28198021 [0,0,0,1,1,0|2,0,0]=4 441 B12R1.1804 NC(=O)C1CCN1CCC(=O)O Amb33251344 [0,0,0,1,1,0|2,0,0]=4 442 B12R1.3091 O=C(O)C1CCCCCS1(=O)=O Amb33733839 [0,0,0,1,1,0|1,0,1]=4 443 B14R1.814 CC(=O)NC1CCCCC1CC(=O)O Amb27638064 [0,0,0,1,0,1|1,0,0]=3 444 B14R1.814 NC(=O)N[C@@H]1CCCC[C@@H]1CC(=O)O Amb27470268 [0,0,0,1,0,1|1,0,0]=3 445 B14R1.814 O=C(O)C[C@@H]1CCCC[C@H]1CC(=O)O Amb28463786 [0,0,0,1,0,1|0,0,0]=2 446 B14R1.4522 O=C(O)CCN1CCCCC1C(=O)O Amb17561170 [0,0,0,1,0,1|0,0,0]=2 447 B14R1.4524 CC(=O)NCC1CCCN1CC(=O)O Amb21861018 [0,0,0,1,0,1|2,0,0]=4 448 B14R1.4889 O=C1COC(=O)CCCCCCCN1 Amb27957855 [0,0,0,1,0,1|1,0,0]=3 449 B14R1.4902 O=C(O)CCC1CCCCCC(=O)N1 Amb18811231 [0,0,0,1,0,1|1,0,0]=3 450 B14R1.4967 O=C1C=C(C(=O)O)CCCCCCC1 Amb27758678 [0,0,0,1,0,1|1,0,0]=3 451 B14R1.4967 O=C1CCCCCCCC(C(=O)O)C1 Amb27165832 [0,0,0,1,0,1|1,0,0]=3 452 B14R1.6315 O=C(O)CCCN1CCCCS1(=O)=O Amb18917680 [0,0,0,1,0,1|1,0,1]=4 453 B14R1.6316 CC(=O)N1CCCC1CNCC(=O)O Amb21860602 [0,0,0,1,0,1|2,0,0]=4 454 B14R1.6316 CC(=O)N1CCCC1COCC(=O)O Amb21861008 [0,0,0,1,0,1|2,0,0]=4 455 B14R1.6316 O=C(O)CCCN1CCCC1C(=O)O Amb32682357 [0,0,0,1,0,1|0,0,0]=2 456 B14R1.6316 O=C(O)CCCN1CCCC1C(=O)O Amb32682440 [0,0,0,1,0,1|0,0,0]=2 457 B14R1.6325 C=C(C)CN1CCCCCC1C(=O)O Amb27262363 [0,0,0,1,0,1|2,0,0]=4 458 B14R1.6325 CC(=O)O[C@@H]1CCCCC[C@@H]1C(=O)O Amb27841181 [0,0,0,1,0,1|1,0,0]=3 459 B14R1.6325 CC(=O)O[C@H]1CCCCC[C@@H]1C(=O)O Amb27220181 [0,0,0,1,0,1|1,0,0]=3 460 B14R1.6325 NC(=O)CC1CCCCCC1C(=O)O Amb28290531 [0,0,0,1,0,1|1,0,0]=3 461 B14R1.6325 NC(=O)CN1CCCCCC1C(=O)O Amb27464081 [0,0,0,1,0,1|1,0,0]=3 462 B14R1.6325 O=C(O)C[C@@H]1CCCCC[C@H]1C(=O)O Amb27268419 [0,0,0,1,0,1|0,0,0]=2 463 B14R1.6325 O=C(O)C[C@H]1CCCCC[C@@H]1C(=O)O Amb28052626 [0,0,0,1,0,1|0,0,0]=2 464 B14R1.6344 CC(=O)CCCCN1CCC1C(N)=O Amb33251336 [0,0,0,1,0,1|2,0,0]=4 465 B14R1.6344 NC(=O)C1CCN1CCCCC(=O)O Amb33251541 [0,0,0,1,0,1|1,0,0]=3 466 B14R1.6344 NC(=O)C1CCN1CCOCC(=O)O Amb33251625 [0,0,0,1,0,1|2,0,0]=4 467 B14R1.6412 O=C(O)C1=C(C(=O)O)CCCCCC1 Amb27984766 [0,0,0,1,0,1|0,0,1]=3 468 B14R1.6412 O=C(O)C1CCCCCCC1C(=O)O Amb4019903 [0,0,0,1,0,1|0,0,0]=2 469 B14R1.6412 O=C(O)[C@H]1CCC=CCC[C@H]1C(=O)O Amb27454851 [0,0,0,1,0,1|0,0,1]=3 470 B14R1.1475 O=C(O)CC1CCCCC(C(=O)O)N1 Amb28128751 [0,1,0,1,0,0|0,0,0]=2 471 B14R1.1475 O=C(O)C[C@@H]1CCCC[C@@H](C(=O)O)N1 Amb27432270 [0,1,0,1,0,0|0,0,0]=2 472 B14R1.1503 CC1(CC(N)=O)CCCCC1C(=O)O Amb27872267 [0,1,0,1,0,0|1,0,0]=3 473 B14R1.4926 CC(=O)O[C@H]1CCC[C@H](N)[C@H]1C(=O)O Amb27438481 [0,1,0,1,0,0|2,0,0]=4 474 B14R1.4926 CC1CCCC(CC(=O)O)C1C(=O)O Amb28068786 [0,1,0,1,0,0|0,0,0]=2 475 B14R1.4926 CN1CCNC(CC(=O)O)C1C(=O)O Amb18787235 [0,1,0,1,0,0|2,0,0]=4 476 B14R1.4926 N[C@H]1CCC[C@@H](CC(=O)O)[C@@H]1C(=O)O Amb27215357 [0,1,0,1,0,0|0,0,0]=2 477 B14R1.13046 NC(=O)C1CCN1CC(O)CC(=O)O Amb33251347 [0,1,0,1,0,0|2,0,0]=4 478 B14R1.429 CC(=O)C1CCCCN1C(C)C(=O)O Amb27199254 [0,1,0,1,0,0|2,0,0]=4 479 B14R1.429 CC(C(=O)O)C1CCCCC1C(=O)O Amb28408907 [0,1,0,1,0,0|0,0,0]=2 480 B14R1.429 CC(C(=O)O)N1CCCCC1C(N)=O Amb18294582 [0,1,0,1,0,0|2,0,0]=4 481 B14R1.429 CC(C(=O)O)N1CCNCC1C(=O)O Amb27957359 [0,1,0,1,0,0|2,0,0]=4 482 B14R1.1499 C=C(C)[C@@]1(O)CCCC[C@@H]1CC(=O)O Amb27433926 [0,1,0,1,0,0|2,0,0]=4 483 B14R1.1499 CC(=O)[C@@]1(O)CCCC[C@@H]1CC(=O)O Amb28429630 [0,1,0,1,0,0|1,0,0]=3 484 B14R1.1499 CC(=O)[C@]1(O)CCCC[C@H]1CC(=O)O Amb27423283 [0,1,0,1,0,0|1,0,0]=3 485 B14R1.1499 CC1(C(=O)O)CC=CCC1CC(=O)O Amb28397302 [0,1,0,1,0,0|0,0,2]=4 486 B14R1.1499 CC1(C(=O)O)CCCC=C1CC(=O)O Amb18652779 [0,1,0,1,0,0|0,0,2]=4 487 B14R1.1499 C[C@@]1(C(=O)O)CCCC[C@@H]1CC(=O)O Amb27202804 [0,1,0,1,0,0|0,0,0]=2 488 B14R1.1499 C[C@]1(C(=O)O)CC=CC[C@@H]1CC(=O)O Amb27984943 [0,1,0,1,0,0|0,0,2]=4 489 B14R1.1499 O=C(O)C[C@@H]1CCCC[C@@]1(O)C(=O)O Amb28345453 [0,1,0,1,0,0|0,0,0]=2 490 B14R1.3215 CC(CC1CCCCS1(=O)=O)C(=O)O Amb35672803 [0,1,0,1,0,0|1,0,1]=4 491 B14R1.3215 NC(CC1CCCCS1(=O)=O)C(=O)O Amb35673428 [0,1,0,1,0,0|1,0,1]=4 492 B14R1.3215 N[C@@H](CC1CCCCS1(=O)=O)C(=O)O Amb35673429 [0,1,0,1,0,0|1,0,1]=4 493 B14R1.3215 N[C@H](CC1CCCCS1(=O)=O)C(=O)O Amb35673430 [0,1,0,1,0,0|1,0,1]=4 494 B14R1.6355 CC(=O)NCC1CCCC(C(=O)O)C1 Amb28385660 [0,1,0,1,0,0|2,0,0]=4 495 B14R1.6355 NC(=O)C1CCCN(CCC(=O)O)C1 Amb6611204 [0,1,0,1,0,0|2,0,0]=4 496 B14R1.6355 NC(=O)CCN1CCCC(C(=O)O)C1 Amb1090565 [0,1,0,1,0,0|2,0,0]=4 497 B14R1.16337 O=C(O)C1=NCCCCC(C(=O)O)N1 Amb25222266 [0,1,0,1,0,0|1,0,1]=4 498 B14R1.16347 CC(=O)N1CCCCCC1(C)C(=O)O Amb8631240 [0,1,0,1,0,0|2,0,0]=4 499 B14R1.6072 CC1CCC(=O)C=C1CCCC(=O)O Amb17595183 [0,1,0,1,0,0|1,0,1]=4 500 B14R1.10380 CC(CCC(=O)O)N1CCC1C(N)=O Amb33251374 [0,1,0,1,0,0|2,0,0]=4 501 B14R1.744 CNC(=O)N1CCCCC1CC(=O)O Amb18951747 [0,1,0,1,0,0|2,0,0]=4 502 B14R1.744 COC(=O)C1CCCCC1NC(C)=O Amb26964423 [0,1,0,1,0,0|2,0,0]=4 503 B14R1.744 COC(=O)[C@@H]1CCCC[C@H]1NC(C)=O Amb26884873 [0,1,0,1,0,0|2,0,0]=4 504 B14R1.1025 COC(=O)CCCC1CCCC(=O)C1 Amb32661190 [0,1,0,1,0,0|1,0,0]=3 505 B14R1.1134 COC(=O)C1CCCCCC1C(=O)O Amb27867345 [0,1,0,1,0,0|0,0,0]=2 506 B14R1.1518 COC(=O)CCCN1CCC1C(N)=O Amb33251380 [0,1,0,1,0,0|2,0,0]=4 507 B14R1.3302 C=CC(=O)NC1CCCCC1C(=O)O Amb28347485 [0,1,0,1,0,0|2,0,0]=4 508 B14R1.3302 CNC(=O)CN1CCCCC1C(=O)O Amb9299731 [0,1,0,1,0,0|2,0,0]=4 509 B14R1.3302 COC(=O)NC1CCCCC1C(=O)O Amb27181516 [0,1,0,1,0,0|1,0,0]=3 510 B14R1.3302 NCC(=O)NC1CCCCC1C(=O)O Amb23481257 [0,1,0,1,0,0|2,0,0]=4 511 B14R1.3306 C#CC(=O)NC1CCCC1CC(=O)O Amb29863643 [0,1,0,1,0,0|2,0,0]=4 512 B14R1.3306 C#CC(=O)N[C@@H]1CCC[C@H]1CC(=O)O Amb30019917 [0,1,0,1,0,0|2,0,0]=4 513 B14R1.3306 CNC(=O)NC1CCCC1CC(=O)O Amb29868682 [0,1,0,1,0,0|2,0,0]=4 514 B14R1.3306 CNC(=O)N[C@@H]1CCC[C@H]1CC(=O)O Amb35730658 [0,1,0,1,0,0|2,0,0]=4 515 B14R1.3702 C=CC1(O)CCCCCC1CC(=O)O Amb27876152 [0,1,0,1,0,0|1,0,1]=4 516 B14R1.4944 CN1C(=O)CCCCC1CCC(=O)O Amb18811230 [0,1,0,1,0,0|1,0,0]=3 517 B14R1.164 C[C@H]1CN[C@H](C(=O)O)[C@@H](CC(=O)O)C1 Amb27841190 [0,1,0,1,0,0|1,0,0]=3 518 B14R1.13293 CC1CCCC(=O)CC1CCC(=O)O Amb27816341 [0,1,0,1,0,0|1,0,0]=3 519 B14R2.712 CC1CC2C(CCCC2C(=O)O)O1 Amb23454531 [0,0,0,2,0,0|1,0,1]=4 520 B14R2.712 O=C1C[C@H]2[C@H](C=CC[C@H]2C(=O)O)O1 Amb27232972 [0,0,0,2,0,0|0,0,2]=4 521 B14R2.5061 O=C(O)C[C@@H]1CC[C@@H]2OC(=O)C[C@H]12 Amb28429393 [0,0,0,2,0,0|0,0,0]=2 522 B14R2.5061 O=C(O)C[C@H]1C=C[C@@H]2OC(=O)C[C@H]12 Amb27634811 [0,0,0,2,0,0|0,0,2]=4 523 B14R2.5743 O=C(O)CC1CCC2COC(=O)C21 Amb28118857 [0,0,0,2,0,0|2,0,0]=4 524 B14R2.7948 O=C(O)CC[C@@H]1C[C@H]2NC(=O)N[C@H]12 Amb27489014 [0,0,0,2,0,0|2,0,0]=4 525 B14R2.9499 O=C(O)CCCC1CC2CCC1O2 Amb32874104 [0,0,0,2,0,0|1,0,1]=4 526 B14R2.24350 O=C(O)[C@H]1CCC[C@@H]2CCC(=O)N21 Amb27419993 [0,0,0,2,0,0|1,0,0]=3 527 B14R2.300 O=C1CCC2C(CNC2C(=O)O)C1 Amb25091073 [0,0,0,2,0,0|2,0,0]=4 528 B14R2.4476 O=C1CCC[C@H]([C@H]2C[C@@H]2C(=O)O)O1 Amb27983704 [0,0,0,2,0,0|0,0,0]=2 529 B14R2.7729 O=C(O)CC1CC2CCC1C(=O)C2 Amb27792896 [0,0,0,2,0,0|1,0,0]=3 530 B14R2.7729 O=C(O)C[C@@H]1C[C@H]2CC[C@H]1C(=O)C2 Amb27233429 [0,0,0,2,0,0|1,0,0]=3 531 B14R2.7729 O=C(O)C[C@H]1C[C@@H]2CC[C@@H]1C(=O)C2 Amb27875088 [0,0,0,2,0,0|1,0,0]=3 532 B14R2.8053 O=C(O)C1CCC2CCOC(=O)C21 Amb27983656 [0,0,0,2,0,0|2,0,0]=4 533 B14R2.8053 O=C(O)C1CSC2CCCC(=O)N21 Amb27815285 [0,0,0,2,0,0|2,0,0]=4 534 B14R2.8053 O=C(O)C1NCC2CCCC(=O)C21 Amb26047807 [0,0,0,2,0,0|2,0,0]=4 535 B14R2.28393 O=C1NC2CC(CCC2C(=O)O)O1 Amb27793086 [0,0,0,2,0,0|1,0,0]=3 536 B14R2.641 O=C1CC2(C(=O)O)CCCCC2N1 Amb27797462 [0,0,0,2,0,0|2,0,0]=4 537 B14R2.641 O=C1C[C@@]2(C(=O)O)CCCC[C@H]2N1 Amb31156379 [0,0,0,2,0,0|2,0,0]=4 538 B14R2.25733 O=C(O)C1CC(=O)C2CCCCN12 Amb18823389 [0,0,0,2,0,0|2,0,0]=4 539 B14R2.25733 O=C(O)C1CC(=O)N2CCCCC12 Amb18192117 [0,0,0,2,0,0|2,0,0]=4 540 B14R2.25733 O=C1NC(C(=O)O)C2CCCCC12 Amb27165828 [0,0,0,2,0,0|1,0,0]=3 541 B14R2.30944 O=C(O)CC1C(C(=O)O)NC2CC21 Amb27455060 [0,0,0,2,0,0|1,0,0]=3 542 B14R2.31382 NC(=O)N1C2CCC1C(C(=O)O)C2 Amb27402234 [0,0,0,2,0,0|2,0,0]=4 543 B14R2.629 O=C(O)CC12CCCC1CC(=O)C2 Amb27199690 [0,0,0,2,0,0|1,0,0]=3 544 B14R2.629 O=C(O)CC12CCCC1CC(=O)O2 Amb28195137 [0,0,0,2,0,0|0,0,0]=2 545 B14R2.8352 O=C(O)CN1C2CCC1CC(=O)C2 Amb28121078 [0,0,0,2,0,0|2,0,0]=4 546 B14R2.8352 O=C(O)CN1[C@H]2CC[C@@H]1CC(=O)C2 Amb27669628 [0,0,0,2,0,0|2,0,0]=4 547 B14R2.30636 O=C(O)C1C(C(=O)O)[C@@H]2CCC[C@H]12 Amb27415500 [0,0,0,2,0,0|0,0,0]=2 548 B14R2.30636 O=C(O)C1C2CNCC2C1C(=O)O Amb27486367 [0,0,0,2,0,0|1,0,0]=3 549 B14R2.30636 O=C(O)[C@H]1[C@@H]2CCC[C@@H]2[C@H]1C(=O)O Amb28052095 [0,0,0,2,0,0|0,0,0]=2 550 B14R2.30636 O=C(O)[C@H]1[C@@H]2CNC[C@@H]2[C@H]1C(=O)O Amb27803028 [0,0,0,2,0,0|1,0,0]=3 551 B14R2.30636 O=C(O)[C@H]1[C@H]2CCC[C@H]2[C@@H]1C(=O)O Amb28385690 [0,0,0,2,0,0|0,0,0]=2 552 B14R2.31690 NC(=O)CN1CC2CC1C2C(=O)O Amb27960767 [0,0,0,2,0,0|2,0,0]=4 553 B14R2.31378 O=C(O)C1CC2OC2CC1C(=O)O Amb27955853 [0,0,0,2,0,0|1,0,0]=3 554 B14R2.8824 O=C(O)C1CC2CCCC2C(=O)N1 Amb27646497 [0,0,0,2,0,0|1,0,0]=3 555 B14R2.13520 O=C(O)CC1CC(=O)N2CCCC12 Amb18823374 [0,0,0,2,0,0|2,0,0]=4 556 B14R2.31326 NC(=O)C1CC2CC1CC2C(N)=O Amb27393541 [0,0,0,2,0,0|2,0,0]=4 557 B14R2.31326 O=C(O)[C@H]1C[C@H]2C[C@@H]1C[C@@H]2C(=O)O Amb28458517 [0,0,0,2,0,0|0,0,0]=2 558 B10R0.97 C=C(Br)CCCCCC(=O)O Amb6299586 [0,0,0,0,2,0|2,0,0]=4 559 B10R0.97 C=C(C)CCCCCC(=O)O Amb6299589 [0,0,0,0,2,0|2,0,0]=4 560 B10R0.97 C=C(Cl)CCCCCC(=O)O Amb6299582 [0,0,0,0,2,0|2,0,0]=4 561 B10R0.97 C=C(F)CCCCCC(=O)O Amb22641493 [0,0,0,0,2,0|2,0,0]=4 562 B10R0.97 CC(=O)CCCCCC(=O)O Amb3939939 [0,0,0,0,2,0|1,0,0]=3 563 B10R0.97 CC(=O)NCCCCC(=O)O Amb22330473 [0,0,0,0,2,0|2,0,0]=4 564 B10R0.97 CC(O)CCCCCC(=O)O Amb24117232 [0,0,0,0,2,0|1,0,1]=4 565 B10R0.97 NC(=O)NCCCCC(=O)O Amb1154252 [0,0,0,0,2,0|2,0,0]=4 566 B10R0.97 O=C(Cl)CCCCCC(=O)Cl Amb13777316 [0,0,0,0,2,0|2,0,0]=4 567 B10R0.97 O=C(O)CCCCCB(O)O Amb32661475 [0,0,0,0,2,0|1,0,1]=4 568 B10R0.97 O=C(O)CCCCCC(=O)O Amb2720869 [0,0,0,0,2,0|0,0,0]=2 569 B10R0.97 O=C(O)CCCSCC(=O)O Amb17501146 [0,0,0,0,2,0|1,0,0]=3 570 B10R0.97 O=C(O)CCNCCC(=O)O Amb2694954 [0,0,0,0,2,0|1,0,0]=3 571 B10R0.97 O=C(O)CCOCCC(=O)O Amb24057717 [0,0,0,0,2,0|1,0,0]=3 572 B10R0.97 O=C(O)CCSCCC(=O)O Amb4138554 [0,0,0,0,2,0|1,0,0]=3 573 B10R0.97 O=C(O)CSCSCC(=O)O Amb1144944 [0,0,0,0,2,0|2,0,0]=4 574 B14R0.68 C=C(F)CCCCCCCCCC(=O)O Amb22641506 [0,0,0,0,0,2|2,0,0]=4 575 B14R0.68 O=C(O)CCCCCCCCCC(=O)O Amb10807546 [0,0,0,0,0,2|0,0,0]=2 576 B14R0.68 O=C(O)CCSCCCSCCC(=O)O Amb21953077 [0,0,0,0,0,2|0,0,0]=2 577 B14R0.68 O=C(O)COCCOCCOCC(=O)O Amb16184481 [0,0,0,0,0,2|1,0,0]=3