0 B10R0.165 CC(=C)CC(C)(C)CC(O)=O Amb18644852 [0,0,0,0,0,0|3,0,0]=3 1 B10R0.165 CC(=O)CC(F)(F)CC(C)=O Amb24765142 [0,0,0,0,0,0|4,0,0]=4 2 B10R0.165 CC(=O)CS(=O)(=O)CC(=O)O Amb17501183 [0,0,0,0,0,0|3,0,1]=4 3 B10R0.165 CC(=O)NC(C)(C)CC(N)=O Amb25769440 [0,0,0,0,0,0|4,0,0]=4 4 B10R0.165 CC(=O)NC(C)(C)CC(O)=O Amb22360340 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.165 CC(=O)OC(C)(C)CC(C)=O Amb24766503 [0,0,0,0,0,0|4,0,0]=4 6 B10R0.165 CC(=O)OC(Cl)(Cl)CC(O)=O Amb22466656 [0,0,0,0,0,0|4,0,0]=4 7 B10R0.165 CC(C)(CC(Cl)Cl)CC(O)=O Amb25386212 [0,0,0,0,0,0|3,0,1]=4 8 B10R0.165 CC(C)(CC(O)=O)CC(N)=O Amb18315614 [0,0,0,0,0,0|2,0,0]=2 9 B10R0.165 CC(C)(CC(O)=O)C[N+]([O-])=O Amb24766161 [0,0,0,0,0,0|2,0,1]=3 10 B10R0.165 CC(O)(CC(N)=O)CC(N)=O Amb24766261 [0,0,0,0,0,0|2,0,0]=2 11 B10R0.165 CC(O)(CC(O)=O)CC(N)=O Amb18126280 [0,0,0,0,0,0|1,0,0]=1 12 B10R0.165 CC(O)(CC(O)=O)C[N+]([O-])=O Amb24754810 [0,0,0,0,0,0|1,0,1]=2 13 B10R0.165 CN(C)CC(C)(C)CC(O)=O Amb24116873 [0,0,0,0,0,0|4,0,0]=4 14 B10R0.165 C[N+](C)(CC([O-])=O)CC(N)=O Amb24764808 [0,0,0,0,0,0|3,0,1]=4 15 B10R0.165 OC(=O)CC(CC(=O)O)(F)F Amb1149070 [0,0,0,0,0,0|2,0,0]=2 16 B9R0.53 C=C(CC(O)=O)CC(O)=O Amb18644057 [1,0,0,0,0,0|0,0,2]=3 17 B9R0.53 CC(=C)CC(C)CC(O)=O Amb18643943 [1,0,0,0,0,0|2,0,0]=3 18 B9R0.53 CC(=O)CC(=O)CC(O)=O Amb18644062 [1,0,0,0,0,0|1,0,2]=4 19 B9R0.53 CC(=O)CC(C)CC(O)=O Amb18644106 [1,0,0,0,0,0|1,0,0]=2 20 B9R0.53 CC(=O)C[C@@H](CC(=O)O)C Amb10844399 [1,0,0,0,0,0|1,0,0]=2 21 B9R0.53 CC(=O)C[C@H](O)CC(C)=C Amb25318972 [1,0,0,0,0,0|3,0,0]=4 22 B9R0.53 CC(=O)C\C(\C)=C\C(O)=O Amb25833580 [1,0,0,0,0,0|1,0,2]=4 23 B9R0.53 CC(=O)NC(C)CC(C)=O Amb24096345 [1,0,0,0,0,0|3,0,0]=4 24 B9R0.53 CC(=O)NN(C)CC(O)=O Amb24430379 [1,0,0,0,0,0|3,0,0]=4 25 B9R0.53 CC(=O)N[C@H](C)CC(C)=O Amb24478882 [1,0,0,0,0,0|3,0,0]=4 26 B9R0.53 CC(=O)OC(C)CC(C)=O Amb25690313 [1,0,0,0,0,0|3,0,0]=4 27 B9R0.53 CC(=O)OC(C)CC(O)=O Amb18644244 [1,0,0,0,0,0|2,0,0]=3 28 B9R0.53 CC(=O)O[C@H](C)CC(O)=O Amb25062672 [1,0,0,0,0,0|2,0,0]=3 29 B9R0.53 CC(=O)\C=C(/C)\CC(O)=O Amb25838743 [1,0,0,0,0,0|1,0,2]=4 30 B9R0.53 CC(=O)\C=C(\C)/CC(O)=O Amb24446679 [1,0,0,0,0,0|1,0,2]=4 31 B9R0.53 CC(C)=CC(C)CC(O)=O Amb24480766 [1,0,0,0,0,0|2,0,1]=4 32 B9R0.53 CC(C)=CC(O)CC(O)=O Amb18644102 [1,0,0,0,0,0|2,0,1]=4 33 B9R0.53 CC(C)=C[C@@H](O)CC(O)=O Amb24393168 [1,0,0,0,0,0|2,0,1]=4 34 B9R0.53 CC(C)C[C@@H](C)CC(O)=O Amb24455134 [1,0,0,0,0,0|2,0,1]=4 35 B9R0.53 CC(C)C[C@H](O)CC(O)=O Amb24505145 [1,0,0,0,0,0|2,0,1]=4 36 B9R0.53 CC(CC(CC(=O)O)O)C Amb17232005 [1,0,0,0,0,0|2,0,1]=4 37 B9R0.53 CC(CC(N)=O)NC(N)=O Amb25365692 [1,0,0,0,0,0|3,0,0]=4 38 B9R0.53 CC(CC(O)=O)=CC(O)=O Amb24556420 [1,0,0,0,0,0|0,0,2]=3 39 B9R0.53 CC(CC(O)=O)CC(N)=O Amb19034796 [1,0,0,0,0,0|1,0,0]=2 40 B9R0.53 CC(CC(O)=O)C[N+]([O-])=O Amb25142280 [1,0,0,0,0,0|1,0,1]=3 41 B9R0.53 CC(CC(O)=O)NC(N)=N Amb25696242 [1,0,0,0,0,0|3,0,0]=4 42 B9R0.53 CC(CC(O)=O)NS(C)=O Amb25347318 [1,0,0,0,0,0|3,0,0]=4 43 B9R0.53 CC(CC(O)=O)SC(N)=N Amb24429158 [1,0,0,0,0,0|3,0,0]=4 44 B9R0.53 CC(CC(O)=O)SC(N)=S Amb24391550 [1,0,0,0,0,0|2,1,0]=4 45 B9R0.53 CC(C[C@@H](CC(=O)O)C)C Amb10844383 [1,0,0,0,0,0|2,0,1]=4 46 B9R0.53 CC(O)CN(C)CC(O)=O Amb18312778 [1,0,0,0,0,0|2,0,1]=4 47 B9R0.53 CN(C)C[C@@H](O)CC(O)=O Amb25084529 [1,0,0,0,0,0|3,0,0]=4 48 B9R0.53 CN(CC(=O)C)CC(=O)C Amb10604213 [1,0,0,0,0,0|3,0,0]=4 49 B9R0.53 CN(CC(=O)Cl)CC(=O)Cl Amb24564588 [1,0,0,0,0,0|3,0,0]=4 50 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [1,0,0,0,0,0|1,0,0]=2 51 B9R0.53 CN(CC(=O)S)CC(N)=O Amb25095881 [1,0,0,0,0,0|2,1,0]=4 52 B9R0.53 CN(CC(O)=O)CC(=C)Br Amb19015553 [1,0,0,0,0,0|3,0,0]=4 53 B9R0.53 CN(C[C@@H](CC(=O)O)O)C Amb10069803 [1,0,0,0,0,0|3,0,0]=4 54 B9R0.53 CN(O)CC(O)CC(O)=O Amb24611959 [1,0,0,0,0,0|2,0,0]=3 55 B9R0.53 CS(=O)CC(N)CC(O)=O Amb25766509 [1,0,0,0,0,0|3,0,0]=4 56 B9R0.53 CS(=O)C[C@@H](N)CC(O)=O Amb25321945 [1,0,0,0,0,0|3,0,0]=4 57 B9R0.53 N=C(CC(O)=O)CC(O)=O Amb25703517 [1,0,0,0,0,0|1,0,1]=3 58 B9R0.53 NC(=O)CC(O)CC(O)=O Amb25147276 [1,0,0,0,0,0|1,0,0]=2 59 B9R0.53 NC(=O)CS(=O)CC(O)=O Amb19007093 [1,0,0,0,0,0|2,0,1]=4 60 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [1,0,0,0,0,0|1,0,0]=2 61 B9R0.53 OC(=O)C=C(Br)CC(O)=O Amb24573499 [1,0,0,0,0,0|1,0,2]=4 62 B9R0.53 OC(=O)CC(Cl)CC(O)=O Amb18126464 [1,0,0,0,0,0|1,0,0]=2 63 B9R0.53 OC(=O)CN(Br)CC(O)=O Amb25277216 [1,0,0,0,0,0|2,0,0]=3 64 B9R0.53 OC(=O)CN(Cl)CC(O)=O Amb24482142 [1,0,0,0,0,0|2,0,0]=3 65 B9R0.53 OC(=O)C[C@@H](NC(=O)C)C Amb2372568 [1,0,0,0,0,0|2,0,0]=3 66 B9R0.53 OC(=O)C[C@H](NC(=O)C)C Amb2372567 [1,0,0,0,0,0|2,0,0]=3 67 B9R0.53 OC(=O)\C=C(/Br)\CC(O)=O Amb25123824 [1,0,0,0,0,0|1,0,2]=4 68 B9R0.53 OC(CC(=O)O)CC(=O)O Amb17615401 [1,0,0,0,0,0|0,0,0]=1 69 B9R0.53 ON(CC(O)=O)CC(O)=O Amb25062474 [1,0,0,0,0,0|1,0,0]=2 70 B9R0.53 [NH3+]N(CC(O)=O)CC(O)=O Amb23453377 [1,0,0,0,0,0|2,0,0]=3 71 B9R0.53 [NH3+]N(CC(O)=O)CC(O)=O Amb24121533 [1,0,0,0,0,0|2,0,0]=3 72 B9R0.58 CC(=O)CC(C)(C)CC=C Amb24475264 [1,0,0,0,0,0|3,0,0]=4 73 B9R0.58 CC(=O)CC(C)(C)CC=O Amb18643928 [1,0,0,0,0,0|2,0,0]=3 74 B9R0.58 CC(=O)CC(C)(C)NC=O Amb25756849 [1,0,0,0,0,0|3,0,0]=4 75 B9R0.58 CC(=O)CC(C)(O)CC#N Amb25319900 [1,0,0,0,0,0|2,0,1]=4 76 B9R0.58 CC(=O)CC(C)(O)CC=C Amb24712053 [1,0,0,0,0,0|2,0,0]=3 77 B9R0.58 CC(=O)C[C@@](C)(O)CC=C Amb24633653 [1,0,0,0,0,0|2,0,0]=3 78 B9R0.58 CC(C)(CC#N)CC(O)=O Amb25239942 [1,0,0,0,0,0|2,0,1]=4 79 B9R0.58 CC(C)(CC(N)=O)NC=O Amb25792410 [1,0,0,0,0,0|3,0,0]=4 80 B9R0.58 CC(C)(CC(O)=O)N=C=O Amb25840671 [1,0,0,0,0,0|2,0,1]=4 81 B9R0.58 CC(C)(CC=C)CC(O)=O Amb18643902 [1,0,0,0,0,0|2,0,0]=3 82 B9R0.58 CC(C)(CC=O)CC(O)=O Amb18644096 [1,0,0,0,0,0|1,0,0]=2 83 B9R0.58 CC(C)(CCCl)CC(O)=O Amb18646188 [1,0,0,0,0,0|2,0,1]=4 84 B9R0.58 CC(C)(CCN)CC(O)=O Amb24637226 [1,0,0,0,0,0|2,0,1]=4 85 B9R0.58 CC(C)(CCO)CC(O)=O Amb24682986 [1,0,0,0,0,0|1,0,1]=3 86 B9R0.58 CC(C)=CC(C)(O)CC=O Amb25345539 [1,0,0,0,0,0|2,0,1]=4 87 B9R0.58 CC(O)(CC#N)CC(N)=O Amb18643863 [1,0,0,0,0,0|2,0,1]=4 88 B9R0.58 CC(O)(CC=C)CC(O)=O Amb18644103 [1,0,0,0,0,0|1,0,0]=2 89 B9R0.58 CC(O)(CC=O)CC(O)=O Amb25770615 [1,0,0,0,0,0|0,0,0]=1 90 B9R0.58 CC(O)(CCO)CC(O)=O Amb18644354 [1,0,0,0,0,0|0,0,1]=2 91 B9R0.58 CCCC(C)(C)CC(O)=O Amb22229019 [1,0,0,0,0,0|2,0,1]=4 92 B9R0.58 CCCC(C)(O)CC(O)=O Amb18310709 [1,0,0,0,0,0|1,0,1]=3 93 B9R0.58 CNCC(C)(C)CC(O)=O Amb24116872 [1,0,0,0,0,0|3,0,0]=4 94 B9R0.58 COCC(C)(C)CC(O)=O Amb24116871 [1,0,0,0,0,0|3,0,0]=4 95 B9R0.58 C[C@@](O)(CCO)CC(O)=O Amb21856037 [1,0,0,0,0,0|0,0,1]=2 96 B9R0.58 C[C@](N)(CC=C)CC(O)=O Amb24504958 [1,0,0,0,0,0|2,0,0]=3 97 B9R0.58 C\C=C\[C@](C)(O)CC(O)=O Amb25084485 [1,0,0,0,0,0|1,0,1]=3 98 B11R0.255 C=CC(=O)NC(CC(=O)O)(C)C Amb10068283 [0,1,0,0,0,0|3,0,0]=4 99 B11R0.255 CC(C)(CC(O)=O)NC(=O)C#C Amb25793490 [0,1,0,0,0,0|3,0,0]=4 100 B11R0.255 COC(=O)CC(C)(C)CC(O)=O Amb18647813 [0,1,0,0,0,0|1,0,0]=2 101 B11R0.255 COC(=O)CC(C)(C)C[N+]([O-])=O Amb24098385 [0,1,0,0,0,0|2,0,1]=4 102 B11R0.255 COC(=O)CC(C)(O)CC(O)=O Amb18127556 [0,1,0,0,0,0|0,0,0]=1 103 B11R0.335 CN(C(N)=O)C(C)(C)CC(O)=O Amb18197602 [0,1,0,0,0,0|3,0,0]=4 104 B11R0.335 OC(=O)CS(=O)(=O)C(C(=O)O)C Amb17501652 [0,1,0,0,0,0|2,0,1]=4 105 B11R0.335 [2H]C([2H])(CC(O)=O)C(N)C(O)=O Amb22367249 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.489 CC(=O)C1CC(=O)CC1(C)C Amb24378420 [0,0,0,1,0,0|3,0,0]=4 107 B11R1.489 CC(O)C1OC(=O)CC1(C)O Amb25343568 [0,0,0,1,0,0|1,0,1]=3 108 B11R1.489 CC1(C)CC(=O)C=C1C(O)=O Amb24634249 [0,0,0,1,0,0|2,0,1]=4 109 B11R1.489 CC1(C)CC(=O)NC1C(O)=O Amb18126047 [0,0,0,1,0,0|2,0,0]=3 110 B11R1.489 CC1(C)CC(=O)N[C@@H]1C(O)=O Amb24551055 [0,0,0,1,0,0|2,0,0]=3 111 B11R1.489 CC1(C)CC(=O)OC1C(O)=O Amb25685259 [0,0,0,1,0,0|1,0,0]=2 112 B11R1.489 CC1(C)OC(=O)C[C@@H]1C(O)=O Amb24692644 [0,0,0,1,0,0|3,0,0]=4 113 B11R1.489 CC1(C)OC(=O)C[C@H]1C(O)=O Amb24428924 [0,0,0,1,0,0|3,0,0]=4 114 B11R1.489 CC1(C)OC(=O)NC1C(O)=O Amb25839858 [0,0,0,1,0,0|3,0,0]=4 115 B11R1.489 CC1(C)SC(=O)NC1C(O)=O Amb24602454 [0,0,0,1,0,0|3,0,0]=4 116 B11R1.489 CC1(O)OC(=O)CC1C(O)=O Amb24443122 [0,0,0,1,0,0|2,0,0]=3 117 B11R1.489 C[C@H](O)[C@@H]1OC(=O)CC1(C)O Amb25221392 [0,0,0,1,0,0|1,0,1]=3 118 B11R1.732 CC(=O)C1C(C(=O)Cl)C1(C)C Amb25798467 [0,0,0,1,0,0|3,0,0]=4 119 B11R1.732 CC(=O)[C@@H]1[C@@H](C(=O)Cl)C1(C)C Amb24667981 [0,0,0,1,0,0|3,0,0]=4 120 B11R1.732 CC1(C)C(C1C(C)=O)C(C)=O Amb24737418 [0,0,0,1,0,0|3,0,0]=4 121 B11R1.732 CC1(C)C(C1C(N)=O)C(N)=O Amb25191238 [0,0,0,1,0,0|3,0,0]=4 122 B11R1.732 CC1(C)C(C1C(N)=O)C(O)=O Amb24048905 [0,0,0,1,0,0|2,0,0]=3 123 B11R1.732 CC1(C)C(C1C(O)=O)C(O)=O Amb25102507 [0,0,0,1,0,0|1,0,0]=2 124 B11R1.732 CC1(C)[C@H]([C@H]1C(O)=O)C(O)O Amb25202173 [0,0,0,1,0,0|1,0,2]=4 125 B11R1.732 OC(=O)C1C(C1(Cl)Cl)C(=O)O Amb1350468 [0,0,0,1,0,0|2,0,0]=3 126 B11R1.933 CC(=O)NC1(CC(O)=O)CC1 Amb25201513 [0,0,0,1,0,0|3,0,0]=4 127 B11R1.933 CC(=O)OC1(CC(O)=O)CC1 Amb25383983 [0,0,0,1,0,0|3,0,0]=4 128 B11R1.1039 CC(=O)CC1(C)CC(=O)CC1 Amb25129012 [0,0,0,1,0,0|3,0,0]=4 129 B11R1.1039 CC1(CC(O)=O)C=CC(=O)O1 Amb18644777 [0,0,0,1,0,0|3,0,0]=4 130 B11R1.1039 CC1(CC(O)=O)NC(=O)CS1 Amb25685272 [0,0,0,1,0,0|2,1,0]=4 131 B11R1.1039 CC1(CCC(=O)O1)CC(O)=O Amb24635619 [0,0,0,1,0,0|3,0,0]=4 132 B11R1.1039 CC=1CC(C)(CC(O)=O)ON1 Amb25775050 [0,0,0,1,0,0|2,0,0]=3 133 B11R1.1039 C[C@@]1(CCC(=O)O1)CC(O)=O Amb25216920 [0,0,0,1,0,0|3,0,0]=4 134 B11R1.1039 C[C@]1(CC(O)=O)C=CC(=O)O1 Amb25108147 [0,0,0,1,0,0|3,0,0]=4 135 B11R1.1039 OC(=O)C[C@@]1(O)COC(=O)C1 Amb25065359 [0,0,0,1,0,0|0,0,0]=1 136 B9R0.11 CC(=C)C(C)(C)CC(O)=O Amb25703730 [0,0,0,0,1,0|3,0,0]=4 137 B9R0.11 CC(=C)C(C)(N)CC(O)=O Amb22641962 [0,0,0,0,1,0|3,0,0]=4 138 B9R0.11 CC(=C)CC(C)(O)C(O)=O Amb24763776 [0,0,0,0,1,0|2,0,0]=3 139 B9R0.11 CC(=C)C[C@@](C)(F)C(O)=O Amb25378746 [0,0,0,0,1,0|3,0,0]=4 140 B9R0.11 CC(=O)C(C)(Br)CC(O)=O Amb24682759 [0,0,0,0,1,0|2,0,0]=3 141 B9R0.11 CC(=O)C(C)(C)CC(=O)Cl Amb24690787 [0,0,0,0,1,0|3,0,0]=4 142 B9R0.11 CC(=O)C(C)(C)CC(C)=O Amb25771077 [0,0,0,0,1,0|3,0,0]=4 143 B9R0.11 CC(=O)C(C)(O)CC(O)=O Amb25733298 [0,0,0,0,1,0|1,0,0]=2 144 B9R0.11 CC(=O)CC(C)(C)C(N)=O Amb25737091 [0,0,0,0,1,0|3,0,0]=4 145 B9R0.11 CC(=O)CC(C)(C)C(O)=O Amb18644092 [0,0,0,0,1,0|2,0,0]=3 146 B9R0.11 CC(=O)NC(C(=O)O)(C)C Amb13952726 [0,0,0,0,1,0|3,0,0]=4 147 B9R0.11 CC(=O)NC(O)(Cl)C(O)=O Amb25772842 [0,0,0,0,1,0|3,0,0]=4 148 B9R0.11 CC(=O)N[C@](C)(S)C(O)=O Amb25793169 [0,0,0,0,1,0|2,1,0]=4 149 B9R0.11 CC(=O)OC(C)(C)C(O)=O Amb18644243 [0,0,0,0,1,0|3,0,0]=4 150 B9R0.11 CC(=O)SC(C(=O)O)(C)C Amb17607677 [0,0,0,0,1,0|3,0,0]=4 151 B9R0.11 CC(=O)[C@](C)(O)CC(C)=O Amb25738871 [0,0,0,0,1,0|2,0,0]=3 152 B9R0.11 CC(=S)C(C)(C)CC(O)=O Amb25227469 [0,0,0,0,1,0|2,1,0]=4 153 B9R0.11 CC(C)(CC(=O)Cl)C(=O)Cl Amb24528594 [0,0,0,0,1,0|3,0,0]=4 154 B9R0.11 CC(C)(CC(=O)Cl)C(O)=O Amb25211275 [0,0,0,0,1,0|2,0,0]=3 155 B9R0.11 CC(C)(CC(N)=O)C(O)=O Amb24721912 [0,0,0,0,1,0|2,0,0]=3 156 B9R0.11 CC(C)=CC(C)(O)C(O)=O Amb24666586 [0,0,0,0,1,0|2,0,1]=4 157 B9R0.11 CC(C)C(C)(O)CC(O)=O Amb18991699 [0,0,0,0,1,0|2,0,1]=4 158 B9R0.11 CC(C)CC(C)(O)C(O)=O Amb18523766 [0,0,0,0,1,0|2,0,1]=4 159 B9R0.11 CC(C)C[C@@](C)(O)C(O)=O Amb25744207 [0,0,0,0,1,0|2,0,1]=4 160 B9R0.11 CC(C)C[C@](C)(O)C(O)=O Amb24763710 [0,0,0,0,1,0|2,0,1]=4 161 B9R0.11 CC(Cl)(CC(O)=O)C(O)=O Amb18126463 [0,0,0,0,1,0|1,0,0]=2 162 B9R0.11 CC(N)(CC(N)=O)C(N)=O Amb24436628 [0,0,0,0,1,0|3,0,0]=4 163 B9R0.11 CC(N)(CC(O)=O)C(O)=O Amb22800383 [0,0,0,0,1,0|1,0,0]=2 164 B9R0.11 CC(N)(CC(O)=O)P(O)=O Amb25701546 [0,0,0,0,1,0|2,0,0]=3 165 B9R0.11 CC(O)(CC(N)=O)C(O)=O Amb24744548 [0,0,0,0,1,0|1,0,0]=2 166 B9R0.11 CC(O)(CC(O)=O)C(N)=O Amb24669300 [0,0,0,0,1,0|1,0,0]=2 167 B9R0.11 CC(O)(CC(O)=O)C(O)=O Amb22352645 [0,0,0,0,1,0|0,0,0]=1 168 B9R0.11 CC(O)(CC([O-])=O)C([O-])=O Amb22353060 [0,0,0,0,1,0|0,0,2]=3 169 B9R0.11 CC(O)CC(C)(C)C(O)=O Amb25230577 [0,0,0,0,1,0|2,0,1]=4 170 B9R0.11 CC(O)CC(C)(O)C(O)=O Amb25265252 [0,0,0,0,1,0|1,0,1]=3 171 B9R0.11 CC(S)(CC(O)=O)C(O)=O Amb25053889 [0,0,0,0,1,0|0,1,0]=2 172 B9R0.11 CN(C)CC(C)(O)C(O)=O Amb24480768 [0,0,0,0,1,0|3,0,0]=4 173 B9R0.11 CN(C)C[C@](C)(O)C(O)=O Amb24460062 [0,0,0,0,1,0|3,0,0]=4 174 B9R0.11 C[C@@](N)(CC(=C)F)C(O)=O Amb24479080 [0,0,0,0,1,0|3,0,0]=4 175 B9R0.11 C[C@@](N)(CC(N)=O)C(O)=O Amb22225025 [0,0,0,0,1,0|2,0,0]=3 176 B9R0.11 C[C@@](O)(CC(O)=O)C(O)=O Amb22336254 [0,0,0,0,1,0|0,0,0]=1 177 B9R0.11 NC(=O)C(F)(F)CC(O)=O Amb25109736 [0,0,0,0,1,0|3,0,0]=4 178 B9R0.11 NC(N)(CC(O)=O)C(O)=O Amb24460545 [0,0,0,0,1,0|2,0,0]=3 179 B9R0.11 OC(=O)C(O)(F)CC(O)=O Amb25798979 [0,0,0,0,1,0|1,0,0]=2 180 B9R0.11 OC(=O)C(S)(S)CC(O)=O Amb22230560 [0,0,0,0,1,0|1,1,0]=3 181 B9R0.11 OC(=O)CC(C(=O)O)(N)C Amb10807406 [0,0,0,0,1,0|1,0,0]=2 182 B9R0.11 OC(=O)CC(C(=O)O)(O)O Amb16232015 [0,0,0,0,1,0|1,0,0]=2 183 B9R0.11 OC(=O)CC(C(=S)N)(C)C Amb17466449 [0,0,0,0,1,0|2,1,0]=4 184 B9R0.11 OC(=O)C[C@@](C(=O)O)(N)C Amb10601663 [0,0,0,0,1,0|1,0,0]=2 185 B9R0.11 OC(=O)C[C@](C(=O)O)(N)C Amb10601664 [0,0,0,0,1,0|1,0,0]=2 186 B9R0.11 OC(=O)C[C@](C(=O)O)(N)C Amb17608152 [0,0,0,0,1,0|1,0,0]=2 187 B11R0.232 CC(C)(CC(O)=O)CCC(O)=O Amb22357103 [0,0,0,0,0,1|1,0,0]=2 188 B11R0.232 OC(=O)CCS(=O)(=O)CC(=O)O Amb17501260 [0,0,0,0,0,1|2,0,1]=4 189 B8R0.5 C=CCC(CC(=O)C)C Amb17593320 [2,0,0,0,0,0|2,0,0]=4 190 B8R0.5 C=CCC(N)CC(O)=O Amb22641964 [2,0,0,0,0,0|2,0,0]=4 191 B8R0.5 C=CCC(O)CC(O)=O Amb18642785 [2,0,0,0,0,0|1,0,0]=3 192 B8R0.5 C=CC[C@@H](CC(=O)O)C Amb10844371 [2,0,0,0,0,0|1,0,0]=3 193 B8R0.5 C=CC[C@@H](N)CC(O)=O Amb22746166 [2,0,0,0,0,0|2,0,0]=4 194 B8R0.5 C=CC[C@@H](O)CC(N)=O Amb24680790 [2,0,0,0,0,0|2,0,0]=4 195 B8R0.5 C=CC[C@H](CC(=O)O)C Amb10844336 [2,0,0,0,0,0|1,0,0]=3 196 B8R0.5 CC(=O)C[C@H](O)CCO Amb24551545 [2,0,0,0,0,0|1,0,1]=4 197 B8R0.5 CC(CC#N)CC(O)=O Amb18642506 [2,0,0,0,0,0|1,0,1]=4 198 B8R0.5 CC(CC(C)=O)NC=O Amb24477804 [2,0,0,0,0,0|2,0,0]=4 199 B8R0.5 CC(CC(O)=O)NC=O Amb18967805 [2,0,0,0,0,0|1,0,0]=3 200 B8R0.5 CC(CC=C)CC(O)=O Amb18642628 [2,0,0,0,0,0|1,0,0]=3 201 B8R0.5 CC(CC=O)CC(C)=C Amb18642471 [2,0,0,0,0,0|2,0,0]=4 202 B8R0.5 CC(CC=O)CC(C)O Amb25858195 [2,0,0,0,0,0|1,0,1]=4 203 B8R0.5 CC(CC=O)NC(C)=O Amb25705280 [2,0,0,0,0,0|2,0,0]=4 204 B8R0.5 CC(CC=O)OC(C)=O Amb18642743 [2,0,0,0,0,0|2,0,0]=4 205 B8R0.5 CC(CCF)CC(O)=O Amb24477914 [2,0,0,0,0,0|1,0,1]=4 206 B8R0.5 CC(CCN)CC(O)=O Amb20667689 [2,0,0,0,0,0|1,0,1]=4 207 B8R0.5 CC(CCN)CC(O)=O Amb24376646 [2,0,0,0,0,0|1,0,1]=4 208 B8R0.5 CC(CCO)CC(C)=O Amb24563263 [2,0,0,0,0,0|1,0,1]=4 209 B8R0.5 CC(CCO)CC(O)=O Amb18642882 [2,0,0,0,0,0|0,0,1]=3 210 B8R0.5 CC(O)CC(O)CC=O Amb25032311 [2,0,0,0,0,0|1,0,1]=4 211 B8R0.5 CCC[C@@H](C)CC(O)=O Amb24622486 [2,0,0,0,0,0|1,0,1]=4 212 B8R0.5 CCC[C@@H](CC(=O)O)C Amb10844381 [2,0,0,0,0,0|1,0,1]=4 213 B8R0.5 CCC[C@@H](O)CC(O)=O Amb25188904 [2,0,0,0,0,0|1,0,1]=4 214 B8R0.5 CCC[C@H](O)CC(O)=O Amb25367955 [2,0,0,0,0,0|1,0,1]=4 215 B8R0.5 CNCC(C)CC(O)=O Amb25284797 [2,0,0,0,0,0|2,0,0]=4 216 B8R0.5 COCC(C)CC(O)=O Amb19024342 [2,0,0,0,0,0|2,0,0]=4 217 B8R0.5 COCC(O)CC(O)=O Amb18832518 [2,0,0,0,0,0|2,0,0]=4 218 B8R0.5 COC[C@@H](C)CC(O)=O Amb25064328 [2,0,0,0,0,0|2,0,0]=4 219 B8R0.5 CSCC(O)CC(O)=O Amb24621046 [2,0,0,0,0,0|2,0,0]=4 220 B8R0.5 C[C@@H](CCN)CC(O)=O Amb25318051 [2,0,0,0,0,0|1,0,1]=4 221 B8R0.5 C[C@@H](CCO)CC(O)=O Amb24699186 [2,0,0,0,0,0|0,0,1]=3 222 B8R0.5 C[C@@H](O)C[C@@H](O)CC=O Amb24631653 [2,0,0,0,0,0|1,0,1]=4 223 B8R0.5 C[C@H](CC=O)CC(C)=C Amb25680323 [2,0,0,0,0,0|2,0,0]=4 224 B8R0.5 C\C=C\C(C)CC(O)=O Amb24731262 [2,0,0,0,0,0|1,0,1]=4 225 B8R0.5 C\C=C\[C@@H](C)CC(O)=O Amb25343237 [2,0,0,0,0,0|1,0,1]=4 226 B8R0.5 C\C=C\[C@H](O)CC(O)=O Amb25312045 [2,0,0,0,0,0|1,0,1]=4 227 B8R0.5 N#CC[C@H](O)CC(O)=O Amb25294743 [2,0,0,0,0,0|1,0,1]=4 228 B8R0.5 N[C@@H](CCO)CC(O)=O Amb25851007 [2,0,0,0,0,0|1,0,1]=4 229 B8R0.28 C=C(F)CCCC(O)=O Amb22641515 [2,0,0,0,0,0|2,0,0]=4 230 B8R0.28 CC(=O)CCCC(=C)O Amb24422924 [2,0,0,0,0,0|2,0,0]=4 231 B8R0.28 CC(=O)CCCC(=O)Cl Amb24752758 [2,0,0,0,0,0|2,0,0]=4 232 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [2,0,0,0,0,0|1,0,0]=3 233 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [2,0,0,0,0,0|2,0,0]=4 234 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [2,0,0,0,0,0|2,0,0]=4 235 B8R0.28 CC(=O)CNCC(O)=O Amb24375747 [2,0,0,0,0,0|2,0,0]=4 236 B8R0.28 CC(=O)OCCC(O)=O Amb18642866 [2,0,0,0,0,0|2,0,0]=4 237 B8R0.28 CC(CCCC(=O)O)O Amb2371277 [2,0,0,0,0,0|1,0,1]=4 238 B8R0.28 CS(=O)CCCC(O)=O Amb18306076 [2,0,0,0,0,0|2,0,0]=4 239 B8R0.28 C[C@H](O)CCCC(O)=O Amb25842809 [2,0,0,0,0,0|1,0,1]=4 240 B8R0.28 NC(=N)CCCC(O)=O Amb25757878 [2,0,0,0,0,0|2,0,0]=4 241 B8R0.28 NC(=O)CCCC(N)=O Amb24098550 [2,0,0,0,0,0|2,0,0]=4 242 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [2,0,0,0,0,0|2,0,0]=4 243 B8R0.28 OC(=O)C#CCC(O)=O Amb25850643 [2,0,0,0,0,0|0,0,2]=4 244 B8R0.28 OC(=O)CCCC(=O)Br Amb24480005 [2,0,0,0,0,0|1,0,0]=3 245 B8R0.28 OC(=O)CCCC(O)=O Amb22351480 [2,0,0,0,0,0|0,0,0]=2 246 B8R0.28 OC(=O)CCCC(O)=O Amb22351829 [2,0,0,0,0,0|0,0,0]=2 247 B8R0.28 OC(=O)CCCP(O)=O Amb24480161 [2,0,0,0,0,0|1,0,0]=3 248 B8R0.28 OC(=O)CCNC(=O)C Amb1104704 [2,0,0,0,0,0|2,0,0]=4 249 B8R0.28 OC(=O)CCSC(=O)C Amb17607685 [2,0,0,0,0,0|2,0,0]=4 250 B8R0.28 OC(=O)CNCP(O)=O Amb24557425 [2,0,0,0,0,0|2,0,0]=4 251 B8R0.28 OC(=O)COCC(=O)Cl Amb25372456 [2,0,0,0,0,0|2,0,0]=4 252 B8R0.28 OC(=O)C\C=C\C(=O)O Amb1154189 [2,0,0,0,0,0|0,0,2]=4 253 B8R0.28 OC(=S)COCC(O)=O Amb22262972 [2,0,0,0,0,0|1,1,0]=4 254 B8R0.28 OC(O)CCCC(O)=O Amb25205498 [2,0,0,0,0,0|0,0,2]=4 255 B8R0.28 O[13C](=O)CCC[13C](=O)O Amb17614793 [2,0,0,0,0,0|0,0,0]=2 256 B8R0.28 [O-]C(=O)CCCC([O-])=O Amb22729768 [2,0,0,0,0,0|0,0,2]=4 257 B8R0.28 [O-][N+](=O)CCCC(O)=O Amb24711043 [2,0,0,0,0,0|1,0,1]=4 258 B8R0.30 CC(C)(CC=O)CC=C Amb18642454 [2,0,0,0,0,0|2,0,0]=4 259 B8R0.30 CC(C)(CC=O)CC=O Amb18642645 [2,0,0,0,0,0|1,0,0]=3 260 B8R0.30 CC(O)(CC=O)CC#N Amb24478668 [2,0,0,0,0,0|1,0,1]=4 261 B8R0.30 CC(O)(CC=O)CC=C Amb18642646 [2,0,0,0,0,0|1,0,0]=3 262 B8R0.30 CC(O)(CC=O)CC=O Amb18642751 [2,0,0,0,0,0|0,0,0]=2 263 B8R0.30 CC(O)(CCO)CC=C Amb25801963 [2,0,0,0,0,0|1,0,1]=4 264 B8R0.30 CC(O)(CCO)CC=O Amb24692132 [2,0,0,0,0,0|0,0,1]=3 265 B8R0.30 CC(O)(CCO)CCO Amb22229375 [2,0,0,0,0,0|0,0,2]=4 266 B8R0.30 CCCC(C)(O)CC=O Amb24478710 [2,0,0,0,0,0|1,0,1]=4 267 B8R0.30 C[C@](O)(CCO)CC=O Amb24721741 [2,0,0,0,0,0|0,0,1]=3 268 B8R0.34 CC(=O)CC(C)(C)C=O Amb18642640 [2,0,0,0,0,0|2,0,0]=4 269 B8R0.34 CC(=O)CC(C)(C)CO Amb24689736 [2,0,0,0,0,0|2,0,0]=4 270 B8R0.34 CC(C)(CBr)CC(O)=O Amb24480039 [2,0,0,0,0,0|2,0,0]=4 271 B8R0.34 CC(C)(CC(O)=O)CO Amb24116870 [2,0,0,0,0,0|1,0,0]=3 272 B8R0.34 CC(C)(CO)CC(N)=O Amb25063938 [2,0,0,0,0,0|2,0,0]=4 273 B8R0.34 CC(C)(CO)CC([O-])=O Amb24178915 [2,0,0,0,0,0|1,0,1]=4 274 B8R0.34 CC(F)(CN)CC(O)=O Amb24481603 [2,0,0,0,0,0|2,0,0]=4 275 B8R0.34 CC(N)(CC(O)=O)C=C Amb22641965 [2,0,0,0,0,0|1,0,1]=4 276 B8R0.34 CC(N)(CCl)CC(O)=O Amb22641961 [2,0,0,0,0,0|2,0,0]=4 277 B8R0.34 CC(O)(CC(O)=O)C=C Amb18642755 [2,0,0,0,0,0|0,0,1]=3 278 B8R0.34 CC(O)(CN)CC(O)=O Amb25188898 [2,0,0,0,0,0|1,0,0]=3 279 B8R0.34 CC(O)CC(C)(O)CO Amb25306407 [2,0,0,0,0,0|1,0,1]=4 280 B8R0.34 CCC(C)(Cl)CC(O)=O Amb18644450 [2,0,0,0,0,0|1,0,1]=4 281 B8R0.34 CCC(C)(N)CC(O)=O Amb25853863 [2,0,0,0,0,0|1,0,1]=4 282 B8R0.34 CCC(C)(O)CC(O)=O Amb18298122 [2,0,0,0,0,0|0,0,1]=3 283 B8R0.34 CCC(CC(=O)O)(C)C Amb10573669 [2,0,0,0,0,0|1,0,1]=4 284 B8R0.34 CC[C@@](C)(N)CC(O)=O Amb25738026 [2,0,0,0,0,0|1,0,1]=4 285 B8R0.34 CC[C@@](C)(O)CC(O)=O Amb25697894 [2,0,0,0,0,0|0,0,1]=3 286 B8R0.34 CC[C@](C)(O)CC(O)=O Amb24746144 [2,0,0,0,0,0|0,0,1]=3 287 B8R0.34 C[C@@H](O)C[C@](C)(O)CO Amb25356228 [2,0,0,0,0,0|1,0,1]=4 288 B8R0.34 C[C@@](N)(CC(O)=O)CO Amb25715205 [2,0,0,0,0,0|1,0,0]=3 289 B8R0.34 C[C@@](O)(CN)CC(O)=O Amb24745092 [2,0,0,0,0,0|1,0,0]=3 290 B10R0.13 CC(=C)CC(C)C(C)C(O)=O Amb24762085 [1,1,0,0,0,0|2,0,0]=4 291 B10R0.13 CC(=O)C(C)C(C)CC(O)=O Amb18645031 [1,1,0,0,0,0|1,0,0]=3 292 B10R0.13 CC(=O)CC(C)C(C)C(O)=O Amb18126130 [1,1,0,0,0,0|1,0,0]=3 293 B10R0.13 CC(=O)N(C)C(C)CC(O)=O Amb18224393 [1,1,0,0,0,0|2,0,0]=4 294 B10R0.13 CC(=O)NC(C)C(O)C(O)=O Amb25689384 [1,1,0,0,0,0|2,0,0]=4 295 B10R0.13 CC(=O)OC(C)C(N)C(O)=O Amb25385009 [1,1,0,0,0,0|2,0,0]=4 296 B10R0.13 CC(=O)O[C@@H](C)[C@@H](N)C(O)=O Amb22747815 [1,1,0,0,0,0|2,0,0]=4 297 B10R0.13 CC(=O)O[C@H](C)[C@H](C)C(O)=O Amb25384861 [1,1,0,0,0,0|2,0,0]=4 298 B10R0.13 CC(C(C)CC(O)=O)[N+]([O-])=O Amb24766160 [1,1,0,0,0,0|1,0,1]=4 299 B10R0.13 CC(C(O)=O)=C(C)CC(O)=O Amb25326749 [1,1,0,0,0,0|0,0,2]=4 300 B10R0.13 CC(C(O)=O)N(C)CC(O)=O Amb24751154 [1,1,0,0,0,0|1,0,0]=3 301 B10R0.13 CC(CC(O)=O)C(=O)C(O)=O Amb25386314 [1,1,0,0,0,0|0,0,1]=3 302 B10R0.13 CC(CC(O)=O)C(N)C(O)=O Amb23440872 [1,1,0,0,0,0|0,0,0]=2 303 B10R0.13 CC(CC(O)=O)N(C)C(N)=O Amb18830285 [1,1,0,0,0,0|2,0,0]=4 304 B10R0.13 CC(NC(N)=O)C(C)C(O)=O Amb24692783 [1,1,0,0,0,0|2,0,0]=4 305 B10R0.13 C[C@@H](CC(O)=O)[C@@H](N)C(O)=O Amb19133152 [1,1,0,0,0,0|0,0,0]=2 306 B10R0.13 C[C@@H](CC(O)=O)[C@H](N)C(O)=O Amb19133150 [1,1,0,0,0,0|0,0,0]=2 307 B10R0.13 C[C@H](CC(O)=O)C(=O)C(O)=O Amb25385022 [1,1,0,0,0,0|0,0,1]=3 308 B10R0.13 C[C@H](NC(N)=O)[C@@H](C)C(O)=O Amb25363206 [1,1,0,0,0,0|2,0,0]=4 309 B10R0.13 C[C@H](NC(N)=O)[C@H](C)C(O)=O Amb25138793 [1,1,0,0,0,0|2,0,0]=4 310 B10R0.13 C[C@H](O)C[C@H](O)[C@@H](O)C(O)=O Amb25385175 [1,1,0,0,0,0|1,0,1]=4 311 B10R0.13 C[C@H](O)C[C@H](O)[C@H](O)C(O)=O Amb25385154 [1,1,0,0,0,0|1,0,1]=4 312 B10R0.13 C\C(\C(O)=O)=C(\C)/CC(O)=O Amb24373861 [1,1,0,0,0,0|0,0,2]=4 313 B10R0.13 NC(=O)C(N)C(O)CC(O)=O Amb25384597 [1,1,0,0,0,0|1,0,0]=3 314 B10R0.13 NC(=O)[C@@H](O)[C@@H](O)CC(N)=O Amb24766252 [1,1,0,0,0,0|2,0,0]=4 315 B10R0.13 NC(=O)[C@@H](O)[C@H](O)CC(N)=O Amb24766222 [1,1,0,0,0,0|2,0,0]=4 316 B10R0.13 NC(C(O)CC(O)=O)C(O)=O Amb25383245 [1,1,0,0,0,0|0,0,0]=2 317 B10R0.13 NC(CC(O)=O)C(N)C(O)=O Amb25386391 [1,1,0,0,0,0|1,0,0]=3 318 B10R0.13 NC(CC(O)=O)[C@H](N)C(O)=O Amb24764806 [1,1,0,0,0,0|1,0,0]=3 319 B10R0.13 N[C@@H](C(Cl)CC(O)=O)C(O)=O Amb24764556 [1,1,0,0,0,0|1,0,0]=3 320 B10R0.13 N[C@@H](C(O)CC(O)=O)C(O)=O Amb22746926 [1,1,0,0,0,0|0,0,0]=2 321 B10R0.13 N[C@@H]([C@@H](Cl)CC(O)=O)C(O)=O Amb25386256 [1,1,0,0,0,0|1,0,0]=3 322 B10R0.13 N[C@@H]([C@@H](F)CC(O)=O)C(O)=O Amb25386225 [1,1,0,0,0,0|1,0,0]=3 323 B10R0.13 N[C@@H]([C@H](F)CC(O)=O)C(O)=O Amb25386224 [1,1,0,0,0,0|1,0,0]=3 324 B10R0.13 N[C@H](C(F)CC(O)=O)C(O)=O Amb25383802 [1,1,0,0,0,0|1,0,0]=3 325 B10R0.13 OC(=O)C[C@@H]([C@H](C(=O)O)N)C Amb17617452 [1,1,0,0,0,0|0,0,0]=2 326 B10R0.13 OC(=O)C[C@H]([C@@H](C(=O)O)N)C Amb17617455 [1,1,0,0,0,0|0,0,0]=2 327 B10R0.13 OC(=O)[C@@H](O)[C@@H](O)CC(O)=O Amb25386187 [1,1,0,0,0,0|0,0,0]=2 328 B10R0.13 OC(=O)[C@@H](O)[C@H](O)CC(O)=O Amb25386186 [1,1,0,0,0,0|0,0,0]=2 329 B10R0.13 OC(CC(O)=O)C(Cl)C(O)=O Amb25386324 [1,1,0,0,0,0|0,0,0]=2 330 B10R0.31 OC(=O)CN(O)CP(O)(O)=O Amb25386226 [1,1,0,0,0,0|2,0,0]=4 331 B10R0.44 CC(=O)NC(C)CC(=O)OC Amb25383511 [1,1,0,0,0,0|2,0,0]=4 332 B10R0.44 CC(=O)N[C@@H](C)CC(=O)OC Amb25383526 [1,1,0,0,0,0|2,0,0]=4 333 B10R0.44 CC(=O)N[C@H](C)CC(=O)OC Amb25383524 [1,1,0,0,0,0|2,0,0]=4 334 B10R0.44 CC(CC(O)=O)NC(=O)CN Amb19010286 [1,1,0,0,0,0|2,0,0]=4 335 B10R0.44 CNC(=O)CC(C)CC(O)=O Amb19035066 [1,1,0,0,0,0|1,0,0]=3 336 B10R0.44 CNC(=O)NC(C)CC(O)=O Amb18290552 [1,1,0,0,0,0|2,0,0]=4 337 B10R0.44 COC(=O)CC(C)C[N+]([O-])=O Amb20623014 [1,1,0,0,0,0|1,0,1]=4 338 B10R0.44 COC(=O)NC(C)CC(N)=O Amb24764840 [1,1,0,0,0,0|2,0,0]=4 339 B10R0.44 C\C(\CC(=O)OC)=C\C(O)=O Amb25385158 [1,1,0,0,0,0|0,0,2]=4 340 B10R0.70 C#CC(CC(O)=O)CC(O)=O Amb25385016 [1,1,0,0,0,0|0,0,1]=3 341 B10R0.70 CC(=C)CC(CC(O)=O)CN Amb22054876 [1,1,0,0,0,0|2,0,0]=4 342 B10R0.70 CC(=C)C[13CH](CN)[13CH2][13C](O)=O Amb22054877 [1,1,0,0,0,0|2,0,0]=4 343 B10R0.70 CC(=O)C\C(\CC(O)=O)=N\O Amb25382150 [1,1,0,0,0,0|1,0,1]=4 344 B10R0.70 CC(=O)NC(CC(O)=O)CC Amb25384609 [1,1,0,0,0,0|2,0,0]=4 345 B10R0.70 CC(=O)NC(CC(O)=O)CN Amb18645288 [1,1,0,0,0,0|2,0,0]=4 346 B10R0.70 CC(=O)NC(CC(O)=O)CO Amb25386029 [1,1,0,0,0,0|2,0,0]=4 347 B10R0.70 CC(=O)N[C@H](CC(O)=O)CC Amb25383139 [1,1,0,0,0,0|2,0,0]=4 348 B10R0.70 CC(=O)OC(CC(O)=O)CBr Amb22490939 [1,1,0,0,0,0|2,0,0]=4 349 B10R0.70 CC(=O)O[C@@H](CC(O)=O)CBr Amb22748249 [1,1,0,0,0,0|2,0,0]=4 350 B10R0.70 CNN(CC(O)=O)CC(O)=O Amb24101394 [1,1,0,0,0,0|1,0,0]=3 351 B10R0.70 ON=C(CC(O)=O)CC(O)=O Amb25384880 [1,1,0,0,0,0|0,0,1]=3 352 B10R0.102 C#CC(O)(CCO)CC(O)=O Amb25382136 [1,1,0,0,0,0|0,0,2]=4 353 B10R0.104 CC(C(C)=O)C(C)(C)CC=O Amb25384530 [1,1,0,0,0,0|2,0,0]=4 354 B10R0.104 CC(C)(CC=C)C(N)C(O)=O Amb25385225 [1,1,0,0,0,0|2,0,0]=4 355 B10R0.104 CC(O)(CCO)C(F)C(O)=O Amb25385209 [1,1,0,0,0,0|0,0,1]=3 356 B10R0.104 CC(O)C(O)C(C)(O)CC=O Amb25385914 [1,1,0,0,0,0|1,0,1]=4 357 B10R0.104 CCCC(C)(O)C(C)C(O)=O Amb19022360 [1,1,0,0,0,0|1,0,1]=4 358 B10R0.104 CCCC(C)(O)C(O)C(O)=O Amb25386048 [1,1,0,0,0,0|1,0,1]=4 359 B10R0.104 C[C@@H](O)[C@@H](O)[C@@](C)(O)CC=O Amb25385917 [1,1,0,0,0,0|1,0,1]=4 360 B10R0.104 C[C@@H](O)[C@H](O)[C@](C)(O)CC=O Amb25385916 [1,1,0,0,0,0|1,0,1]=4 361 B10R0.104 C[C@H](O)[C@@H](O)[C@@](C)(O)CC=O Amb24767026 [1,1,0,0,0,0|1,0,1]=4 362 B10R0.104 C[C@H](O)[C@@H](O)[C@](C)(O)CC=O Amb25385915 [1,1,0,0,0,0|1,0,1]=4 363 B10R0.104 C[C@H](O)[C@H](O)[C@](C)(O)CC=O Amb25384375 [1,1,0,0,0,0|1,0,1]=4 364 B10R0.122 CC(C)(CC(O)=O)\C=C/CO Amb25384931 [1,1,0,0,0,0|1,0,1]=4 365 B10R0.122 CC(C)(CC(O)=O)\C=C\CO Amb25386398 [1,1,0,0,0,0|1,0,1]=4 366 B10R0.141 CC(CO)C(C)(O)CC(O)=O Amb25381504 [1,1,0,0,0,0|0,0,1]=3 367 B10R0.141 CC(O)(CC(O)=O)C(=C)CO Amb25382122 [1,1,0,0,0,0|0,0,2]=4 368 B10R0.141 C[C@@H](C=C)[C@](C)(O)CC(C)=O Amb24765452 [1,1,0,0,0,0|2,0,0]=4 369 B10R0.141 C[C@@](O)(CC(O)=O)[C@H](O)CO Amb25385964 [1,1,0,0,0,0|0,0,1]=3 370 B10R0.141 C[C@H](C=C)[C@](C)(O)CC(C)=O Amb24765451 [1,1,0,0,0,0|2,0,0]=4 371 B10R0.148 COC(=O)NC(C)(C)CC=O Amb24766548 [1,1,0,0,0,0|2,0,0]=4 372 B10R0.14 CC(N)(CC(O)=O)P(C)(O)=O Amb25356744 [0,1,0,0,1,0|2,0,0]=4 373 B10R0.14 CC(N)(CC(O)=O)P(O)(O)=O Amb24711371 [0,1,0,0,1,0|2,0,0]=4 374 B10R0.47 CC(O)(CC(O)CO)C(O)=O Amb25385834 [0,1,0,0,1,0|0,0,2]=4 375 B10R0.47 CCC(=O)CC(C)(O)C(O)=O Amb25385151 [0,1,0,0,1,0|1,0,0]=3 376 B10R0.47 CNC(=O)CC(C)(C)C(O)=O Amb24707522 [0,1,0,0,1,0|2,0,0]=4 377 B10R0.47 COC(=O)CC(C(=O)O)(C)C Amb16232093 [0,1,0,0,1,0|1,0,0]=3 378 B10R0.47 COC(=O)CC(C)(N)C(O)=O Amb25383846 [0,1,0,0,1,0|1,0,0]=3 379 B10R0.47 COC(=O)CC(C)(O)C(O)=O Amb25385756 [0,1,0,0,1,0|0,0,0]=2 380 B10R0.47 COC(=O)C[C@@](C)(N)C(O)=O Amb25383988 [0,1,0,0,1,0|1,0,0]=3 381 B10R0.47 COC(=O)NC(C)(C)C(O)=O Amb18974085 [0,1,0,0,1,0|2,0,0]=4 382 B10R0.47 COC(C)CC(C)(O)C(O)=O Amb25384278 [0,1,0,0,1,0|1,0,1]=4 383 B10R0.47 C\C(\CC(C)(C)C(O)=O)=N/O Amb24487810 [0,1,0,0,1,0|2,0,0]=4 384 B10R0.47 C\C(\CC(C)(O)C(O)=O)=C\C Amb24419952 [0,1,0,0,1,0|2,0,0]=4 385 B10R0.117 CC(=O)C(C)(C)C(C)C(O)=O Amb25216922 [0,1,0,0,1,0|2,0,0]=4 386 B10R0.117 CC(=O)C(C)C(C)(O)C(O)=O Amb24513741 [0,1,0,0,1,0|1,0,0]=3 387 B10R0.117 CC(C(O)=O)C(C)(C)C(N)=O Amb24366530 [0,1,0,0,1,0|2,0,0]=4 388 B10R0.117 CC(C(O)=O)C(C)(C)C(O)=O Amb18126238 [0,1,0,0,1,0|1,0,0]=3 389 B10R0.117 CC(C(O)=O)C(C)(O)C(O)=O Amb18126313 [0,1,0,0,1,0|0,0,0]=2 390 B10R0.117 CC(C)(C(Br)C(O)=O)C(O)=O Amb25089525 [0,1,0,0,1,0|1,0,0]=3 391 B10R0.117 CC(C)(C(Cl)C(O)=O)C(O)=O Amb24426116 [0,1,0,0,1,0|1,0,0]=3 392 B10R0.117 CC(C)(C(N)C(O)=O)S(O)=O Amb24487834 [0,1,0,0,1,0|2,0,0]=4 393 B10R0.117 CC(C)(C(O)C(O)=O)C(O)=O Amb18126316 [0,1,0,0,1,0|1,0,0]=3 394 B10R0.117 CC(C)([C@@H](N)C(O)=O)S(O)=O Amb24080020 [0,1,0,0,1,0|2,0,0]=4 395 B10R0.117 CC(C)([C@@H](O)C(O)=O)C(O)=O Amb25737704 [0,1,0,0,1,0|1,0,0]=3 396 B10R0.117 CC(Cl)(C(O)C(O)=O)C(O)=O Amb24373174 [0,1,0,0,1,0|1,0,0]=3 397 B10R0.117 CC(N)(C(O)C(O)=O)C(O)=O Amb24443031 [0,1,0,0,1,0|1,0,0]=3 398 B10R0.117 CC(O)(C(Cl)C(O)=O)C(O)=O Amb25362209 [0,1,0,0,1,0|0,0,0]=2 399 B10R0.117 CC(O)(C(O)C(O)=O)C(O)=O Amb24390843 [0,1,0,0,1,0|0,0,0]=2 400 B10R0.117 C[C@@](O)([C@H](N)C(O)=O)C(O)=O Amb24621926 [0,1,0,0,1,0|0,0,0]=2 401 B10R0.117 C[C@H](C(O)=O)C(C)(C)C(O)=O Amb25765664 [0,1,0,0,1,0|1,0,0]=3 402 B10R0.117 C[C@](O)([C@@H](O)C(O)=O)C(O)=O Amb25060701 [0,1,0,0,1,0|0,0,0]=2 403 B10R0.117 NC(C(O)=O)C(F)(F)C(O)=O Amb24558165 [0,1,0,0,1,0|2,0,0]=4 404 B10R0.117 OC(=O)C(F)(F)C(F)C(O)=O Amb19887297 [0,1,0,0,1,0|2,0,0]=4 405 B10R0.117 O[C@@H](C(O)=O)C(F)(F)C(O)=O Amb25060758 [0,1,0,0,1,0|2,0,0]=4 406 B10R0.119 CC(=O)CC(C)(C=C)C(O)=O Amb25385243 [0,1,0,0,1,0|2,0,0]=4 407 B10R0.119 CC(=O)NC(C)(CO)C(O)=O Amb25101618 [0,1,0,0,1,0|2,0,0]=4 408 B10R0.119 CC(CC(O)=O)(C=N)C(O)=O Amb24754814 [0,1,0,0,1,0|1,0,0]=3 409 B10R0.119 CC(CN)(CC(O)=O)C(O)=O Amb22546424 [0,1,0,0,1,0|1,0,0]=3 410 B10R0.119 CCC(C)(CC(O)=O)C(O)=O Amb17776967 [0,1,0,0,1,0|1,0,0]=3 411 B10R0.119 N#CC(O)(CC(O)=O)C(O)=O Amb25772561 [0,1,0,0,1,0|0,0,1]=3 412 B10R0.119 OC(=O)[C@@](O)(CCl)CC(O)=O Amb25386233 [0,1,0,0,1,0|0,0,0]=2 413 B10R0.119 OC(=O)[C@](O)(CCl)CC(O)=O Amb24767144 [0,1,0,0,1,0|0,0,0]=2 414 B10R0.163 CC(N)(CS(O)(=O)=O)C(O)=O Amb24391706 [0,1,0,0,1,0|2,0,0]=4 415 B10R0.163 CC(O)(CP(O)(O)=O)C(O)=O Amb24426255 [0,1,0,0,1,0|1,0,0]=3 416 B10R0.163 C[C@@](N)(CS(O)(=O)=O)C(O)=O Amb24557800 [0,1,0,0,1,0|2,0,0]=4 417 B10R0.163 C[C@](N)(CS(O)(=O)=O)C(O)=O Amb25321680 [0,1,0,0,1,0|2,0,0]=4 418 B12R0.694 OC(=O)C(CC(=O)O)(CC(=O)O)O Amb10070578 [0,2,0,0,0,0|0,0,1]=3 419 B12R0.694 OC(=O)C(CC(=O)O)(CC(=O)O)O Amb16192936 [0,2,0,0,0,0|0,0,1]=3 420 B12R0.694 OC(=O)C(O)(CC(O)=O)CC(O)=O Amb19958282 [0,2,0,0,0,0|0,0,1]=3 421 B12R0.694 OC(=O)C(O)(CC(O)=O)CC(O)=O Amb21947902 [0,2,0,0,0,0|0,0,1]=3 422 B12R0.694 OC(=O)C(O)(CC(O)=O)CC(O)=O Amb22000691 [0,2,0,0,0,0|0,0,1]=3 423 B12R0.694 OC(=O)C(O)(CC(O)=O)CC(O)=O Amb22167468 [0,2,0,0,0,0|0,0,1]=3 424 B12R0.694 OC(=O)C(O)(CC(O)=O)CC(O)=O Amb22264824 [0,2,0,0,0,0|0,0,1]=3 425 B12R0.694 OC(=O)C(O)(CC(O)=O)CC(O)=O Amb22264888 [0,2,0,0,0,0|0,0,1]=3 426 B12R0.694 OC(=O)C(O)(CC(O)=O)CC(O)=O Amb22349892 [0,2,0,0,0,0|0,0,1]=3 427 B12R0.694 OC(=O)C(O)(CC(O)=O)CC(O)=O Amb22360651 [0,2,0,0,0,0|0,0,1]=3 428 B12R0.694 OC(=O)C(O)(CC(O)=O)CC(O)=O Amb22360663 [0,2,0,0,0,0|0,0,1]=3 429 B12R0.694 OC(=O)C(O)(CC(O)=O)CC(O)=O Amb24079735 [0,2,0,0,0,0|0,0,1]=3 430 B12R0.694 OC(=O)C(O)(C[14C](O)=O)C[14C](O)=O Amb22352096 [0,2,0,0,0,0|0,0,1]=3 431 B12R0.694 OC(=O)C(O)([13CH2]C(O)=O)[13CH2]C(O)=O Amb22336666 [0,2,0,0,0,0|0,0,1]=3 432 B12R0.694 OC(=O)CC(C(=O)O)(CC(=O)O)O Amb16226578 [0,2,0,0,0,0|0,0,1]=3 433 B12R0.694 OC(=O)CC(C(=O)O)(CC(=O)O)O Amb16232172 [0,2,0,0,0,0|0,0,1]=3 434 B12R0.694 O[13C](=O)C(O)(C[13C](O)=O)C[13C](O)=O Amb22338411 [0,2,0,0,0,0|0,0,1]=3 435 B12R0.694 O[13C](=O)[13C](O)([13CH2][13C](O)=O)[13CH2][13C](O)=O Amb22367329 [0,2,0,0,0,0|0,0,1]=3 436 B12R0.694 [O-]C(=O)CC(O)(CC(O)=O)C(O)=O Amb20246421 [0,2,0,0,0,0|0,0,2]=4 437 B12R0.694 [O-]C(=O)CC(O)(CC(O)=O)C(O)=O Amb22049484 [0,2,0,0,0,0|0,0,2]=4 438 B12R0.694 [O-]C(=O)CC(O)(CC(O)=O)C(O)=O Amb22051663 [0,2,0,0,0,0|0,0,2]=4 439 B12R0.694 [O-]C(=O)CC(O)(CC(O)=O)C(O)=O Amb22360665 [0,2,0,0,0,0|0,0,2]=4 440 B12R0.694 [O-]C(=O)CC(O)(CC(O)=O)C([O-])=O Amb20246433 [0,2,0,0,0,0|0,0,2]=4 441 B12R0.694 [O-]C(CC(O)=O)(CC(O)=O)C(O)=O Amb22453017 [0,2,0,0,0,0|1,0,0]=3 442 B10R1.54 C=C1CC(CC(O)=O)CC1 Amb25354325 [1,0,0,1,0,0|2,0,0]=4 443 B10R1.54 CC(=O)C[C@H]1CC(=O)CC1 Amb25768398 [1,0,0,1,0,0|2,0,0]=4 444 B10R1.54 CC(=O)NC1CC(=O)OC1 Amb25276428 [1,0,0,1,0,0|2,0,0]=4 445 B10R1.54 CC(=O)N[C@@H]1CC(=O)OC1 Amb24644279 [1,0,0,1,0,0|2,0,0]=4 446 B10R1.54 CC(=O)N[C@H]1CC(=O)OC1 Amb24396581 [1,0,0,1,0,0|2,0,0]=4 447 B10R1.54 CC(=O)OC1CC(=O)OC1 Amb22730362 [1,0,0,1,0,0|2,0,0]=4 448 B10R1.54 CC(=O)O[C@@H]1CC(=O)OC1 Amb22225179 [1,0,0,1,0,0|2,0,0]=4 449 B10R1.54 NC(=O)CC1COC(=O)N1 Amb24707993 [1,0,0,1,0,0|2,0,0]=4 450 B10R1.54 OC(=O)CC1CC(=O)C=C1 Amb25831069 [1,0,0,1,0,0|1,0,1]=4 451 B10R1.54 OC(=O)CC1CC(=O)CC1 Amb18643816 [1,0,0,1,0,0|1,0,0]=3 452 B10R1.54 OC(=O)CC1CC(=O)NC1 Amb18831602 [1,0,0,1,0,0|1,0,0]=3 453 B10R1.54 OC(=O)CC1CC(=O)OC1 Amb20669416 [1,0,0,1,0,0|0,0,0]=2 454 B10R1.54 OC(=O)CC1CCC(=O)N1 Amb2372619 [1,0,0,1,0,0|2,0,0]=4 455 B10R1.54 OC(=O)CC1CNC(=O)O1 Amb18644185 [1,0,0,1,0,0|2,0,0]=4 456 B10R1.54 OC(=O)CC1CSC(=O)S1 Amb25108490 [1,0,0,1,0,0|1,1,0]=4 457 B10R1.54 OC(=O)CC=1CC(=O)ON1 Amb18202495 [1,0,0,1,0,0|1,0,1]=4 458 B10R1.54 OC(=O)CN1CC(=O)CC1 Amb22496571 [1,0,0,1,0,0|2,0,0]=4 459 B10R1.54 OC(=O)C[C@@H]1CC(=O)C=C1 Amb24746679 [1,0,0,1,0,0|1,0,1]=4 460 B10R1.54 OC(=O)C[C@@H]1CC(=O)CC1 Amb22898751 [1,0,0,1,0,0|1,0,0]=3 461 B10R1.54 OC(=O)C[C@@H]1CCC(=O)N1 Amb22587587 [1,0,0,1,0,0|2,0,0]=4 462 B10R1.54 OC(=O)C[C@@H]1CCC(=O)O1 Amb22746828 [1,0,0,1,0,0|2,0,0]=4 463 B10R1.54 OC(=O)C[C@@H]1CNC(=O)O1 Amb25147304 [1,0,0,1,0,0|2,0,0]=4 464 B10R1.54 OC(=O)C[C@H]1CC(=O)CC1 Amb24480441 [1,0,0,1,0,0|1,0,0]=3 465 B10R1.54 OC(=O)C[C@H]1CC(=O)NC1 Amb24410373 [1,0,0,1,0,0|1,0,0]=3 466 B10R1.54 OC(=O)C[C@H]1CCC(=O)N1 Amb22587585 [1,0,0,1,0,0|2,0,0]=4 467 B10R1.54 OC(=O)C[C@H]1CNC(=O)O1 Amb24529265 [1,0,0,1,0,0|2,0,0]=4 468 B10R1.54 OC(=O)C[C@H]1COC(=O)N1 Amb25744486 [1,0,0,1,0,0|1,0,0]=3 469 B10R1.59 CC(=O)C1OC(=O)CC1C Amb24524380 [1,0,0,1,0,0|1,0,0]=3 470 B10R1.59 CC(=O)[C@@H]1OC(=O)C[C@@H]1C Amb25319949 [1,0,0,1,0,0|1,0,0]=3 471 B10R1.59 CC(=O)[C@@H]1OC(=O)C[C@H]1C Amb24584412 [1,0,0,1,0,0|1,0,0]=3 472 B10R1.59 CC1=NC(C)C(O1)C(O)=O Amb25799541 [1,0,0,1,0,0|2,0,0]=4 473 B10R1.59 CC1=N[C@H](C)[C@@H](O1)C(O)=O Amb25174803 [1,0,0,1,0,0|2,0,0]=4 474 B10R1.59 CC1CC(=O)CC1C(O)=O Amb25281943 [1,0,0,1,0,0|1,0,0]=3 475 B10R1.59 CC1CC(=O)NC1C(O)=O Amb25063723 [1,0,0,1,0,0|1,0,0]=3 476 B10R1.59 CC1CC(O)NC1C(O)=O Amb24505217 [1,0,0,1,0,0|1,0,1]=4 477 B10R1.59 CC1NC(=O)CC1C(O)=O Amb24664051 [1,0,0,1,0,0|2,0,0]=4 478 B10R1.59 CC1NC(=O)OC1C(O)=O Amb25046075 [1,0,0,1,0,0|1,0,0]=3 479 B10R1.59 CC1OC(=O)CC1C(O)=O Amb18644066 [1,0,0,1,0,0|2,0,0]=4 480 B10R1.59 CC1OC(=O)NC1C(O)=O Amb18644184 [1,0,0,1,0,0|2,0,0]=4 481 B10R1.59 CC1SC(=O)SC1C(O)=O Amb23504453 [1,0,0,1,0,0|1,1,0]=4 482 B10R1.59 C[C@@H](O)[C@@H]1OC(=O)C[C@@H]1O Amb25221046 [1,0,0,1,0,0|1,0,1]=4 483 B10R1.59 C[C@@H]1CC(=O)C[C@@H]1C(O)=O Amb25174905 [1,0,0,1,0,0|1,0,0]=3 484 B10R1.59 C[C@@H]1CC(=O)N[C@H]1C(O)=O Amb24545555 [1,0,0,1,0,0|1,0,0]=3 485 B10R1.59 C[C@@H]1NC(=O)C[C@H]1C(O)=O Amb18202489 [1,0,0,1,0,0|2,0,0]=4 486 B10R1.59 C[C@@H]1OC(=O)N[C@H]1C(O)=O Amb25243703 [1,0,0,1,0,0|2,0,0]=4 487 B10R1.59 C[C@H]1CC(=O)O[C@H]1[C@H](C)O Amb25296426 [1,0,0,1,0,0|1,0,1]=4 488 B10R1.59 C[C@H]1OC(=O)C[C@@H]1C(O)=O Amb25368352 [1,0,0,1,0,0|2,0,0]=4 489 B10R1.59 C[C@H]1OC(=O)N[C@H]1C(O)=O Amb24514898 [1,0,0,1,0,0|2,0,0]=4 490 B10R1.59 C[C@H]1SC(=O)N[C@@H]1C(O)=O Amb24634344 [1,0,0,1,0,0|2,0,0]=4 491 B10R1.59 C[C@H]1SC(=O)S[C@H]1C(O)=O Amb24740378 [1,0,0,1,0,0|1,1,0]=4 492 B10R1.59 NC(=O)C1NC(=O)CC1O Amb25147285 [1,0,0,1,0,0|2,0,0]=4 493 B10R1.59 NC1CC(=O)CC1C(O)=O Amb24523031 [1,0,0,1,0,0|2,0,0]=4 494 B10R1.59 N[C@@H]1CC(=O)C[C@@H]1C(O)=O Amb24391186 [1,0,0,1,0,0|2,0,0]=4 495 B10R1.59 OC(=O)C1NC(=O)CC1F Amb24468191 [1,0,0,1,0,0|2,0,0]=4 496 B10R1.59 OC(=O)[C@@H]1NC(=O)C[C@H]1O Amb24567678 [1,0,0,1,0,0|1,0,0]=3 497 B10R1.59 OC(=O)[C@H]1NC(=O)C[C@H]1O Amb24515079 [1,0,0,1,0,0|1,0,0]=3 498 B10R1.59 OC(=O)[C@H]1OC(=O)C[C@@H]1O Amb25230624 [1,0,0,1,0,0|0,0,0]=2 499 B10R1.282 C=C1[C@@H](C1C(O)=O)C(O)=O Amb25259210 [1,0,0,1,0,0|0,0,2]=4 500 B10R1.282 CC1C(C1C(O)=O)C(O)=O Amb25113473 [1,0,0,1,0,0|0,0,0]=2 501 B10R1.282 CC1[C@H]([C@@H]1C(C)=O)C(C)=O Amb25334954 [1,0,0,1,0,0|2,0,0]=4 502 B10R1.282 CC=1C(C1C(O)=O)C(O)=O Amb25118958 [1,0,0,1,0,0|0,0,2]=4 503 B10R1.282 C[C@@H]1[C@@H]([C@@H]1C(O)=O)C(O)=O Amb25757859 [1,0,0,1,0,0|0,0,0]=2 504 B10R1.282 C[C@@H]1[C@H]([C@H]1C(O)=O)C(O)=O Amb24763777 [1,0,0,1,0,0|0,0,0]=2 505 B10R1.282 NC1C(C1C(O)=O)C(O)=O Amb25229844 [1,0,0,1,0,0|1,0,0]=3 506 B10R1.282 OC(=O)C1C(=C)C1C(=O)O Amb1106465 [1,0,0,1,0,0|0,0,2]=4 507 B10R1.282 OC(=O)C1C(Br)C1C(O)=O Amb25698402 [1,0,0,1,0,0|1,0,0]=3 508 B10R1.282 OC(=O)[C@@H]1C(=C)[C@@H]1C(=O)O Amb10069605 [1,0,0,1,0,0|0,0,2]=4 509 B10R1.309 CC1(CC(=O)N1)CC(O)=O Amb24538048 [1,0,0,1,0,0|1,0,0]=3 510 B10R1.309 CC1(CC(=O)O1)CC(O)=O Amb25292199 [1,0,0,1,0,0|0,0,0]=2 511 B10R1.309 C[C@]1(CC(=O)O1)CC(O)=O Amb24480790 [1,0,0,1,0,0|0,0,0]=2 512 B10R1.368 CC(=C)C[C@H]1C[C@@H]1C(O)=O Amb25378774 [1,0,0,1,0,0|2,0,0]=4 513 B10R1.368 CC(=O)NC1CC1C(O)=O Amb18831601 [1,0,0,1,0,0|2,0,0]=4 514 B10R1.368 CC(=O)OC1CC1C(O)=O Amb24746709 [1,0,0,1,0,0|2,0,0]=4 515 B10R1.368 OC(=O)CC1CC1C(O)=O Amb25111566 [1,0,0,1,0,0|0,0,0]=2 516 B10R1.368 OC(=O)CN1CC1C(O)=O Amb24078333 [1,0,0,1,0,0|1,0,0]=3 517 B10R1.368 OC(=O)CN1C[C@H]1C(O)=O Amb24078334 [1,0,0,1,0,0|1,0,0]=3 518 B10R1.368 OC(=O)[C@@H]/1C\C1=C\C(O)=O Amb25827923 [1,0,0,1,0,0|0,0,2]=4 519 B10R1.371 CC1(O)CC(CC(O)=O)C1 Amb25782430 [1,0,0,1,0,0|1,0,1]=4 520 B10R1.371 OC(=O)CC1CS(=O)(=O)C1 Amb22386897 [1,0,0,1,0,0|1,0,1]=4 521 B10R1.42 CC1(C)C(C=C)C1C(O)=O Amb24671316 [1,0,0,1,0,0|2,0,0]=4 522 B10R1.42 CC1(C)[C@@H](C=C)[C@@H]1C(O)=O Amb24671299 [1,0,0,1,0,0|2,0,0]=4 523 B10R1.42 CC1(C)[C@@H](C=O)[C@@H]1C(O)=O Amb24546993 [1,0,0,1,0,0|1,0,0]=3 524 B10R1.42 CC1(C)[C@@H](C=O)[C@H]1C(O)=O Amb25288490 [1,0,0,1,0,0|1,0,0]=3 525 B10R1.128 C[C@@]1(O)CCN[C@H]1C(O)=O Amb25230927 [1,0,0,1,0,0|1,0,1]=4 526 B10R1.358 CC(O)(CC(O)=O)C1CC1 Amb18298156 [1,0,0,1,0,0|1,0,1]=4 527 B10R1.370 CC1(COCO1)CC(O)=O Amb25063070 [1,0,0,1,0,0|2,0,0]=4 528 B10R1.370 NC1(COCC1)CC(O)=O Amb22059549 [1,0,0,1,0,0|1,0,1]=4 529 B10R1.370 OC(=O)CC1(O)CCCC1 Amb18285919 [1,0,0,1,0,0|1,0,1]=4 530 B10R1.370 OC(=O)CC1(O)CNCC1 Amb25135404 [1,0,0,1,0,0|1,0,1]=4 531 B10R1.393 CCCC1(C)OC1C(O)=O Amb25320260 [1,0,0,1,0,0|1,0,1]=4 532 B10R1.393 COCC1(C)OC1C(O)=O Amb25757956 [1,0,0,1,0,0|2,0,0]=4 533 B10R1.444 CC1(C)CC(=O)O[C@@H]1CO Amb25687877 [1,0,0,1,0,0|1,0,1]=4 534 B10R1.83 CC1(C)C(CC1=O)C(O)=O Amb23439763 [0,0,0,1,1,0|2,0,0]=4 535 B10R1.83 OC(=O)C1OC(=O)C1(C)C Amb17593617 [0,0,0,1,1,0|1,0,0]=3 536 B10R1.360 CC(=O)C1(C)CC1C(O)=O Amb25771095 [0,0,0,1,1,0|2,0,0]=4 537 B10R1.360 CC(=O)[C@]1(Br)C[C@@H]1C(O)=O Amb24648199 [0,0,0,1,1,0|2,0,0]=4 538 B10R1.360 C[C@]1(C[C@@H]1C(O)=O)C(O)=O Amb24598825 [0,0,0,1,1,0|1,0,0]=3 539 B10R1.360 C[C@]1(C[C@H]1C(O)=O)C(O)=O Amb25231202 [0,0,0,1,1,0|1,0,0]=3 540 B10R1.360 C[C@]1(O[C@@H]1C(O)=O)C(O)=O Amb25340526 [0,0,0,1,1,0|0,0,0]=2 541 B10R1.360 NC1(CC1C(O)=O)C(O)=O Amb25124900 [0,0,0,1,1,0|1,0,0]=3 542 B10R1.360 N[C@@]1(C[C@@H]1C(O)=O)C(O)=O Amb23452842 [0,0,0,1,1,0|1,0,0]=3 543 B10R1.360 N[C@@]1(C[C@H]1C(O)=O)C(O)=O Amb23452828 [0,0,0,1,1,0|1,0,0]=3 544 B10R1.360 N[C@]1(C[C@H]1C(O)=O)C(O)=O Amb24515142 [0,0,0,1,1,0|1,0,0]=3 545 B10R1.360 OC(=O)[C@@]1(Br)C[C@@H]1C(O)=O Amb24748251 [0,0,0,1,1,0|1,0,0]=3 546 B10R1.360 OC(=O)[C@@]1(Cl)C[C@H]1C(O)=O Amb25258365 [0,0,0,1,1,0|1,0,0]=3 547 B10R1.360 OC(=O)[C@]1(Cl)C[C@H]1C(O)=O Amb25179268 [0,0,0,1,1,0|1,0,0]=3 548 B10R1.470 CC1(CC(=O)CC1)C(O)=O Amb23454199 [0,0,0,1,1,0|2,0,0]=4 549 B10R1.470 CC1(CC(=O)NC1)C(O)=O Amb22546311 [0,0,0,1,1,0|2,0,0]=4 550 B10R1.470 CC=1C[C@](O)(CC1)C(O)=O Amb24578805 [0,0,0,1,1,0|2,0,0]=4 551 B10R1.470 C[C@@]1(COC(=O)N1)C(O)=O Amb25340464 [0,0,0,1,1,0|2,0,0]=4 552 B10R1.470 C[C@]1(CC(=O)CC1)C(O)=O Amb25693811 [0,0,0,1,1,0|2,0,0]=4 553 B10R1.470 OC(=O)C1(O)COC(=O)C1 Amb25340431 [0,0,0,1,1,0|0,0,0]=2 554 B10R1.470 OC(=O)C1(O)COC(=O)N1 Amb25786464 [0,0,0,1,1,0|1,0,0]=3 555 B10R1.470 OC(=O)[C@@]1(O)COC(=O)C1 Amb25084490 [0,0,0,1,1,0|0,0,0]=2 556 B10R1.470 OC(=O)[C@]1(O)COC(=O)C1 Amb25368286 [0,0,0,1,1,0|0,0,0]=2 557 B10R1.470 OC1CC(O)(CC1)C(O)=O Amb25213061 [0,0,0,1,1,0|1,0,1]=4 558 B12R1.349 CC1(CC(O)=O)CNC(=O)NC1 Amb24671454 [0,0,0,1,0,1|2,0,0]=4 559 B12R1.349 CC1(CNC(=O)OC1)CC(O)=O Amb24644126 [0,0,0,1,0,1|1,0,0]=3 560 B12R1.349 OC(=O)CC1(O)CCC(=O)CC1 Amb25053860 [0,0,0,1,0,1|1,0,0]=3 561 B12R1.349 OC1CCC(O)(CC(O)=O)CC1 Amb24532545 [0,0,0,1,0,1|1,0,1]=4 562 B12R1.349 O[C@@H]1CC[C@@](O)(CC(O)=O)CC1 Amb23604022 [0,0,0,1,0,1|1,0,1]=4 563 B12R1.349 O[C@@H]1CC[C@](O)(CC(O)=O)CC1 Amb23604021 [0,0,0,1,0,1|1,0,1]=4 564 B12R1.852 CC1(C)CC(=O)OC1CC(O)=O Amb24692646 [0,0,0,1,0,1|1,0,0]=3 565 B12R1.1282 CC1(C)CCC(=O)NC1C(O)=O Amb25751189 [0,0,0,1,0,1|2,0,0]=4 566 B12R1.1282 CC1(C)SCC(=O)NC1C(O)=O Amb18650218 [0,0,0,1,0,1|2,0,0]=4 567 B12R1.1822 CC(=O)CC1C(C(O)=O)C1(C)C Amb24710242 [0,0,0,1,0,1|2,0,0]=4 568 B12R1.1822 CC(=O)CC1[C@@H](C(O)=O)C1(C)C Amb25187600 [0,0,0,1,0,1|2,0,0]=4 569 B12R1.1822 CC(=O)C[C@@H]1[C@H](C(O)=O)C1(C)C Amb24739637 [0,0,0,1,0,1|2,0,0]=4 570 B12R1.1822 CC1(C)[C@H](CC(O)=O)[C@H]1C(O)=O Amb25363312 [0,0,0,1,0,1|1,0,0]=3 571 B12R1.1822 CC1(O)C(C1C=C(Cl)Cl)C(O)=O Amb25835695 [0,0,0,1,0,1|2,0,0]=4 572 B12R1.3005 CC1(C)CC(=O)CC(O1)C(O)=O Amb18198353 [0,0,0,1,0,1|2,0,0]=4 573 B12R1.3005 OC(=O)[C@@H]1CC(O)(O)CC(=O)N1 Amb24353892 [0,0,0,1,0,1|2,0,0]=4 574 B12R1.3101 CC1(C)C=C(C1C(O)=O)C(O)=O Amb24412413 [0,0,0,1,0,1|1,0,1]=4 575 B12R1.3101 CC1(C)C[C@@H]([C@@H]1C(O)=O)C(O)=O Amb25176100 [0,0,0,1,0,1|1,0,0]=3 576 B12R1.3101 CC1(C)C[C@H]([C@@H]1C(O)=O)C(O)=O Amb25232609 [0,0,0,1,0,1|1,0,0]=3 577 B12R1.3101 CC1(C)O[C@@H]([C@H]1C(O)=O)C(O)=O Amb24519275 [0,0,0,1,0,1|1,0,0]=3 578 B12R1.3108 OC(=O)CC1(CCC(O)=O)CC1 Amb22354181 [0,0,0,1,0,1|1,0,0]=3 579 B12R1.3136 CC(O)(CC(O)=O)C1CC1(O)O Amb24390845 [0,0,0,1,0,1|0,0,2]=4 580 B12R1.684 C=CC1(CC(=O)OC1)CC(O)=O Amb25766528 [0,1,0,1,0,0|1,0,0]=3 581 B12R1.684 C=C[C@]1(CC(=O)OC1)CC(O)=O Amb24740861 [0,1,0,1,0,0|1,0,0]=3 582 B12R1.684 OC(=O)CC1(COC(=O)C1)CO Amb24634089 [0,1,0,1,0,0|0,0,0]=2 583 B12R1.857 CC(=O)CC1(C)CC(=O)OC1=O Amb24724005 [0,1,0,1,0,0|1,0,1]=4 584 B12R1.857 C[C@@]1(CC(=O)NC1=O)CC(O)=O Amb24383678 [0,1,0,1,0,0|1,0,1]=4 585 B12R1.1257 CC1(CC(=O)CCC1)CC(O)=O Amb18647356 [0,1,0,1,0,0|2,0,0]=4 586 B12R1.1257 C[C@@]1(CC(=O)CCC1)CC(O)=O Amb25144060 [0,1,0,1,0,0|2,0,0]=4 587 B12R1.1257 NC1(CC(=O)NCC1)CC(O)=O Amb25036222 [0,1,0,1,0,0|2,0,0]=4 588 B12R1.1825 CC(=O)C1CCC1(C)CC(O)=O Amb25100970 [0,1,0,1,0,0|2,0,0]=4 589 B12R1.1825 CC(=O)[C@H]1CC[C@]1(C)CC(O)=O Amb25210432 [0,1,0,1,0,0|2,0,0]=4 590 B12R1.1826 OC(=O)CC1(CC(O)=O)CCC1 Amb21858189 [0,1,0,1,0,0|1,0,0]=3 591 B12R1.2417 CCC1(C)CC(=O)NC1C(O)=O Amb25102806 [0,1,0,1,0,0|2,0,0]=4 592 B12R1.2426 CCC1(C)C(C1C(O)=O)C(O)=O Amb25667160 [0,1,0,1,0,0|1,0,0]=3 593 B12R1.2426 COC1(C)[C@H]([C@@H]1C(O)=O)C(O)=O Amb25249502 [0,1,0,1,0,0|0,0,0]=2 594 B12R1.593 CC1(C)C\C(\CC1C(O)=O)=N\O Amb25232967 [0,1,0,1,0,0|2,0,0]=4 595 B12R1.865 CC1(C)OC(=O)C(O)C1C(O)=O Amb24358003 [0,1,0,1,0,0|2,0,0]=4 596 B12R1.865 C[C@@H]1[C@@H](C(O)=O)C(C)(C)CC1=O Amb24607364 [0,1,0,1,0,0|2,0,0]=4 597 B12R1.1280 CC1(C)CC(=O)CCC1C(O)=O Amb21858486 [0,1,0,1,0,0|2,0,0]=4 598 B12R1.1280 CC1(C)CC(=O)CC[C@H]1C(O)=O Amb25238276 [0,1,0,1,0,0|2,0,0]=4 599 B12R1.1711 CC1(C)C(C1C(=O)Cl)C(=O)OC Amb25831027 [0,1,0,1,0,0|2,0,0]=4 600 B12R1.1711 CC1(C)C(C1C(O)=O)C(=O)NC Amb24048261 [0,1,0,1,0,0|2,0,0]=4 601 B12R1.1711 CC1(C)C(C1C(O)=O)C(=O)OC Amb25759465 [0,1,0,1,0,0|1,0,0]=3 602 B12R1.1711 CC1(C)[C@@H]([C@@H]1C(O)=O)C(=O)OC Amb25272785 [0,1,0,1,0,0|1,0,0]=3 603 B12R1.1711 CC1(C)[C@H]([C@@H]1C(O)=O)C(=O)OC Amb25241232 [0,1,0,1,0,0|1,0,0]=3 604 B12R1.1711 CC1(C)[C@H]([C@H]1C(O)=O)C(=O)OC Amb24614640 [0,1,0,1,0,0|1,0,0]=3 605 B12R1.1711 COC(=O)C1C(C(O)=O)C1(F)F Amb25694706 [0,1,0,1,0,0|2,0,0]=4 606 B12R1.2224 COC(=O)CC1(C)CC(=O)C=C1 Amb25053074 [0,1,0,1,0,0|2,0,0]=4 607 B12R1.3483 CC1(C)CC(=O)OC1C(=O)CCl Amb24366068 [0,1,0,1,0,0|2,0,0]=4 608 B12R1.1333 C[C@]1(C[C@H]1C(O)=O)C(=O)C(O)=O Amb24593516 [0,1,0,1,0,0|1,0,1]=4 609 B12R1.1337 CC(=O)C1CC(C(O)=O)C1(C)C Amb24341676 [0,1,0,1,0,0|2,0,0]=4 610 B12R1.1337 CC(=O)[C@@H]1C[C@H](C(O)=O)C1(C)C Amb24339454 [0,1,0,1,0,0|2,0,0]=4 611 B12R1.1337 CC(=O)[C@H]1C[C@H](C(O)=O)C1(C)C Amb25175021 [0,1,0,1,0,0|2,0,0]=4 612 B12R1.1337 CC1(C)[C@@H](C[C@@H]1C(N)=O)C(O)=O Amb24710210 [0,1,0,1,0,0|2,0,0]=4 613 B12R1.2692 CC1(C)CC(=O)CC1(C)C(O)=O Amb25700910 [0,1,0,1,0,0|2,0,0]=4 614 B12R1.2692 CC1(C)CC(=O)C[C@@]1(C)C(O)=O Amb25724912 [0,1,0,1,0,0|2,0,0]=4 615 B12R1.2692 CC1(C)CC(=O)NC1(C)C(O)=O Amb24635889 [0,1,0,1,0,0|2,0,0]=4 616 B12R1.2692 CC1(C)CC(=O)OC1(C)C(O)=O Amb24341675 [0,1,0,1,0,0|1,0,0]=3 617 B12R1.2692 CC1(O)CC(=C)CC1(C)C(O)=O Amb18647349 [0,1,0,1,0,0|2,0,0]=4 618 B12R1.3037 CC1(C)C(OC(=O)C1O)C(O)=O Amb25111268 [0,1,0,1,0,0|1,0,0]=3 619 B12R1.3037 CC1(O)C(OC(=O)C1O)C(O)=O Amb24419853 [0,1,0,1,0,0|0,0,0]=2 620 B12R1.3037 CC1C(=O)CC(C(O)=O)C1(C)C Amb24627043 [0,1,0,1,0,0|2,0,0]=4 621 B12R1.3037 CC1C(=O)C[C@@H](C(O)=O)C1(C)C Amb24692820 [0,1,0,1,0,0|2,0,0]=4 622 B12R1.3037 CC1C(=O)C[C@H](C(O)=O)C1(C)C Amb25667159 [0,1,0,1,0,0|2,0,0]=4 623 B12R1.3037 CC1C(=O)NC(C(O)=O)C1(C)C Amb24651056 [0,1,0,1,0,0|2,0,0]=4 624 B12R1.3037 CC1C(=O)OC(C(O)=O)C1(C)C Amb25240608 [0,1,0,1,0,0|1,0,0]=3 625 B12R1.3150 CC1(C)C(C(O)=O)C1(C)C(O)=O Amb24366070 [0,1,0,1,0,0|1,0,0]=3 626 B12R1.3173 CC1(OC1(C)CC(C)=O)C(C)=O Amb24723889 [0,1,0,1,0,0|2,0,0]=4 627 B12R1.3173 N[C@]1(C[C@]1(F)CC(O)=O)C(O)=O Amb25302291 [0,1,0,1,0,0|1,0,0]=3 628 B12R1.3800 CC(C(O)=O)C1(O)CCC(=O)O1 Amb24415389 [0,1,0,1,0,0|2,0,0]=4 629 B12R1.3800 CC1(CC(Cl)=NO1)[C@H](N)C(O)=O Amb24470034 [0,1,0,1,0,0|2,0,0]=4 630 B12R1.3800 C[C@]1(CC(Cl)=NO1)[C@H](N)C(O)=O Amb24565758 [0,1,0,1,0,0|2,0,0]=4 631 B8R0.23 C=C(Br)C(O)CC(O)=O Amb24648348 [1,0,0,0,1,0|2,0,0]=4 632 B8R0.23 CC(=C)C(C)CC(O)=O Amb18642614 [1,0,0,0,1,0|2,0,0]=4 633 B8R0.23 CC(=C)C(O)CC(O)=O Amb18642756 [1,0,0,0,1,0|2,0,0]=4 634 B8R0.23 CC(=C)CC(C)C(O)=O Amb24471924 [1,0,0,0,1,0|2,0,0]=4 635 B8R0.23 CC(=C)CC(O)C(O)=O Amb24534477 [1,0,0,0,1,0|2,0,0]=4 636 B8R0.23 CC(=C)C[C@@H](C(=O)O)C Amb10843988 [1,0,0,0,1,0|2,0,0]=4 637 B8R0.23 CC(=C)C[C@@H](C)C(O)=O Amb24340253 [1,0,0,0,1,0|2,0,0]=4 638 B8R0.23 CC(=C)[C@@H](O)CC(O)=O Amb25789715 [1,0,0,0,1,0|2,0,0]=4 639 B8R0.23 CC(=O)C(C)CC(O)=O Amb18292788 [1,0,0,0,1,0|1,0,0]=3 640 B8R0.23 CC(=O)C(Cl)CC(O)=O Amb24426109 [1,0,0,0,1,0|2,0,0]=4 641 B8R0.23 CC(=O)C(O)CC(O)=O Amb25341886 [1,0,0,0,1,0|1,0,0]=3 642 B8R0.23 CC(=O)CC(Br)C(O)=O Amb24710683 [1,0,0,0,1,0|2,0,0]=4 643 B8R0.23 CC(=O)CC(C)C(O)=S Amb24061827 [1,0,0,0,1,0|1,1,0]=4 644 B8R0.23 CC(=O)CC(N)C(O)=O Amb18832532 [1,0,0,0,1,0|2,0,0]=4 645 B8R0.23 CC(=O)CC(N)C(O)=O Amb22546289 [1,0,0,0,1,0|2,0,0]=4 646 B8R0.23 CC(=O)CC(O)C(O)=O Amb22500917 [1,0,0,0,1,0|1,0,0]=3 647 B8R0.23 CC(=O)C[C@@H](C)C(O)=O Amb24369598 [1,0,0,0,1,0|1,0,0]=3 648 B8R0.23 CC(=O)C[C@@H](N)C(O)=O Amb22745939 [1,0,0,0,1,0|2,0,0]=4 649 B8R0.23 CC(=O)C[C@H](O)C(O)=O Amb24358758 [1,0,0,0,1,0|1,0,0]=3 650 B8R0.23 CC(=O)NC(O)C(O)=O Amb25146184 [1,0,0,0,1,0|2,0,0]=4 651 B8R0.23 CC(=O)N[C@H](C)C(O)=O Amb19944277 [1,0,0,0,1,0|2,0,0]=4 652 B8R0.23 CC(=O)OC(C)C(O)=O Amb22360672 [1,0,0,0,1,0|2,0,0]=4 653 B8R0.23 CC(=O)SC(C)C(O)=O Amb25719066 [1,0,0,0,1,0|2,0,0]=4 654 B8R0.23 CC(=O)[C@@H](C)CC(O)=O Amb25145964 [1,0,0,0,1,0|1,0,0]=3 655 B8R0.23 CC(=O)[C@@H](N)CC(O)=O Amb25064775 [1,0,0,0,1,0|2,0,0]=4 656 B8R0.23 CC(=O)[C@H](C)CC(O)=O Amb25360184 [1,0,0,0,1,0|1,0,0]=3 657 B8R0.23 CC(=S)CC(C)C(O)=O Amb24588975 [1,0,0,0,1,0|1,1,0]=4 658 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [1,0,0,0,1,0|2,0,0]=4 659 B8R0.23 CC(CC(O)=O)=P(O)=O Amb25264110 [1,0,0,0,1,0|1,0,1]=4 660 B8R0.23 CC(CC(O)=O)C(N)=O Amb25737942 [1,0,0,0,1,0|1,0,0]=3 661 B8R0.23 CC(CC(O)=O)S(C)=O Amb18974545 [1,0,0,0,1,0|2,0,0]=4 662 B8R0.23 CC(CN(C)O)C(O)=O Amb24540617 [1,0,0,0,1,0|2,0,0]=4 663 B8R0.23 CC(CS(C)=O)C(O)=O Amb18974546 [1,0,0,0,1,0|2,0,0]=4 664 B8R0.23 CC(O)C(C)CC(O)=O Amb18293276 [1,0,0,0,1,0|1,0,1]=4 665 B8R0.23 CC(O)CC(C)C(O)=O Amb18293277 [1,0,0,0,1,0|1,0,1]=4 666 B8R0.23 CS(=O)CC(O)C(O)=O Amb24692848 [1,0,0,0,1,0|2,0,0]=4 667 B8R0.23 C[C@@H](CC(O)=O)C(O)=O Amb22226742 [1,0,0,0,1,0|0,0,0]=2 668 B8R0.23 C[C@@H](O)[C@@H](O)CC(O)=O Amb25267600 [1,0,0,0,1,0|1,0,1]=4 669 B8R0.23 C[C@H](CC(N)=O)C(N)=O Amb25126983 [1,0,0,0,1,0|2,0,0]=4 670 B8R0.23 C[C@H](CC(N)=O)C(O)=O Amb25077589 [1,0,0,0,1,0|1,0,0]=3 671 B8R0.23 C[C@H](CC(O)=O)C(O)=O Amb22225399 [1,0,0,0,1,0|0,0,0]=2 672 B8R0.23 C[C@H](O)C[C@@H](C)C(O)=O Amb25114249 [1,0,0,0,1,0|1,0,1]=4 673 B8R0.23 C[C@H](OC(N)=O)C(O)=O Amb24427686 [1,0,0,0,1,0|2,0,0]=4 674 B8R0.23 NC(=O)C(N)CC(O)=O Amb18124347 [1,0,0,0,1,0|2,0,0]=4 675 B8R0.23 NC(=O)C(O)CC(O)=O Amb25378786 [1,0,0,0,1,0|1,0,0]=3 676 B8R0.23 NC(=O)C[C@@H](C(=O)O)C Amb10843937 [1,0,0,0,1,0|1,0,0]=3 677 B8R0.23 NC(=O)C[C@@H](O)C(O)=O Amb24681022 [1,0,0,0,1,0|1,0,0]=3 678 B8R0.23 NC(=O)C[C@H](Br)C(O)=O Amb25137878 [1,0,0,0,1,0|2,0,0]=4 679 B8R0.23 NC(=O)C[C@H](C(=O)O)N Amb10071271 [1,0,0,0,1,0|2,0,0]=4 680 B8R0.23 NC(=O)C[C@H](Cl)C(O)=O Amb24479999 [1,0,0,0,1,0|2,0,0]=4 681 B8R0.23 NC(=O)C[C@H]([15NH2])C(O)=O Amb22338491 [1,0,0,0,1,0|2,0,0]=4 682 B8R0.23 NC(=O)NC(O)C(O)=O Amb22350130 [1,0,0,0,1,0|2,0,0]=4 683 B8R0.23 NC(=O)NC(O)C(O)=O Amb24592607 [1,0,0,0,1,0|2,0,0]=4 684 B8R0.23 NC(=O)[C@@H](N)CC(O)=O Amb19334954 [1,0,0,0,1,0|2,0,0]=4 685 B8R0.23 NC(=O)[C@@H](O)CC(N)=O Amb24435465 [1,0,0,0,1,0|2,0,0]=4 686 B8R0.23 NC(CC(O)=O)C(O)=O Amb22730002 [1,0,0,0,1,0|1,0,0]=3 687 B8R0.23 NC(CC(O)=O)C([O-])=O Amb20241398 [1,0,0,0,1,0|1,0,1]=4 688 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22167994 [1,0,0,0,1,0|1,0,1]=4 689 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22330537 [1,0,0,0,1,0|1,0,1]=4 690 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22337568 [1,0,0,0,1,0|1,0,1]=4 691 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22349433 [1,0,0,0,1,0|1,0,1]=4 692 B8R0.23 NC(CC(O)=O)[13C](O)=O Amb22351321 [1,0,0,0,1,0|1,0,0]=3 693 B8R0.23 NC(CC([O-])=O)C(O)=O Amb22731484 [1,0,0,0,1,0|1,0,1]=4 694 B8R0.23 NC(CS(O)=O)C(O)=O Amb21913242 [1,0,0,0,1,0|2,0,0]=4 695 B8R0.23 NC(C[13C](O)=O)C(O)=O Amb22362630 [1,0,0,0,1,0|1,0,0]=3 696 B8R0.23 NC(C[13C](O)=O)[13C](O)=O Amb22353605 [1,0,0,0,1,0|1,0,0]=3 697 B8R0.23 NC([13CH2]C(O)=O)C(O)=O Amb22336729 [1,0,0,0,1,0|1,0,0]=3 698 B8R0.23 N[13C@@H](CC(O)=O)[13C](O)=O Amb22353606 [1,0,0,0,1,0|1,0,0]=3 699 B8R0.23 N[13C](=O)[13CH2][13C@H](N)[13C](O)=O Amb22367522 [1,0,0,0,1,0|2,0,0]=4 700 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb20241378 [1,0,0,0,1,0|1,0,1]=4 701 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22337725 [1,0,0,0,1,0|1,0,1]=4 702 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22352336 [1,0,0,0,1,0|1,0,1]=4 703 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22748705 [1,0,0,0,1,0|1,0,1]=4 704 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22801032 [1,0,0,0,1,0|1,0,1]=4 705 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb20240565 [1,0,0,0,1,0|1,0,1]=4 706 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb22748769 [1,0,0,0,1,0|1,0,1]=4 707 B8R0.23 N[C@@H](C[13C](N)=O)C(O)=O Amb22353613 [1,0,0,0,1,0|2,0,0]=4 708 B8R0.23 N[C@@H]([13CH2][13C](O)=O)C(O)=O Amb22367550 [1,0,0,0,1,0|1,0,0]=3 709 B8R0.23 N[C@H](CC(N)=O)C(O)=O Amb17749060 [1,0,0,0,1,0|2,0,0]=4 710 B8R0.23 N[C@H](CC(O)=O)P(O)=O Amb25838846 [1,0,0,0,1,0|2,0,0]=4 711 B8R0.23 N[C@H](CS(O)=O)C(O)=O Amb24366002 [1,0,0,0,1,0|2,0,0]=4 712 B8R0.23 OC(=O)C(=S)CC(O)=O Amb25304511 [1,0,0,0,1,0|0,1,1]=4 713 B8R0.23 OC(=O)C(Cl)CS(O)=O Amb25708099 [1,0,0,0,1,0|2,0,0]=4 714 B8R0.23 OC(=O)C(F)CC(O)=O Amb25077170 [1,0,0,0,1,0|1,0,0]=3 715 B8R0.23 OC(=O)C(O)CC(=O)S Amb25690206 [1,0,0,0,1,0|0,1,0]=3 716 B8R0.23 OC(=O)C(O)CC(O)=O Amb21935660 [1,0,0,0,1,0|0,0,0]=2 717 B8R0.23 OC(=O)C(S)CC(O)=O Amb22729564 [1,0,0,0,1,0|0,1,0]=3 718 B8R0.23 OC(=O)CC(C(=O)O)C Amb1935053 [1,0,0,0,1,0|0,0,0]=2 719 B8R0.23 OC(=O)CC(O)C(=O)Cl Amb25700438 [1,0,0,0,1,0|1,0,0]=3 720 B8R0.23 OC(=O)CC(O)C(O)=O Amb22734584 [1,0,0,0,1,0|0,0,0]=2 721 B8R0.23 OC(=O)CC([N+](=O)[O-])O Amb2222216 [1,0,0,0,1,0|1,0,1]=4 722 B8R0.23 OC(=O)CN(C(=O)C)C Amb1111693 [1,0,0,0,1,0|2,0,0]=4 723 B8R0.23 OC(=O)CN(C(=O)N)C Amb2371395 [1,0,0,0,1,0|2,0,0]=4 724 B8R0.23 OC(=O)C[C@@H](C(=O)O)N Amb16232085 [1,0,0,0,1,0|1,0,0]=3 725 B8R0.23 OC(=O)[13CH](O)CC(O)=O Amb22367337 [1,0,0,0,1,0|0,0,0]=2 726 B8R0.23 OC(=O)[C@@H](Cl)CC(O)=O Amb20242425 [1,0,0,0,1,0|1,0,0]=3 727 B8R0.23 OC(=O)[C@@H](S)CC(O)=O Amb22504526 [1,0,0,0,1,0|0,1,0]=3 728 B8R0.23 OC(=O)[C@H](Br)CC(O)=O Amb22504149 [1,0,0,0,1,0|1,0,0]=3 729 B8R0.23 OC(=O)[C@H](Cl)CC(O)=O Amb20242424 [1,0,0,0,1,0|1,0,0]=3 730 B8R0.23 OC(=O)[C@H](S)CC(O)=O Amb25124090 [1,0,0,0,1,0|0,1,0]=3 731 B8R0.23 OC(CC(=O)Cl)C(=O)Cl Amb25680528 [1,0,0,0,1,0|2,0,0]=4 732 B8R0.23 OC(O)C[C@@H](O)C(O)=O Amb24524214 [1,0,0,0,1,0|0,0,2]=4 733 B8R0.23 O[13C](=O)[13CH2][13CH]([13C](=O)O)O Amb17616665 [1,0,0,0,1,0|0,0,0]=2 734 B8R0.23 O[C@@H](CC(=O)Cl)C(=O)Cl Amb25832731 [1,0,0,0,1,0|2,0,0]=4 735 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22337484 [1,0,0,0,1,0|2,0,0]=4 736 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22351412 [1,0,0,0,1,0|2,0,0]=4 737 B8R0.23 [15NH2]C(CC(O)=O)C(O)=O Amb22731529 [1,0,0,0,1,0|1,0,0]=3 738 B8R0.23 [15NH2][13C@@H]([13CH2][13C](O)=O)[13C](O)=O Amb22353584 [1,0,0,0,1,0|1,0,0]=3 739 B8R0.23 [15NH2][13CH](CC(O)=O)C(O)=O Amb22351286 [1,0,0,0,1,0|1,0,0]=3 740 B8R0.23 [15NH2][13C](=O)[13CH2][13C@H]([15NH2])[13C](O)=O Amb22337495 [1,0,0,0,1,0|2,0,0]=4 741 B8R0.23 [15NH2][C@@H](CC(O)=O)[13C](O)=O Amb22367524 [1,0,0,0,1,0|1,0,0]=3 742 B8R0.23 [O-]C(=O)C(O)CC([O-])=O Amb22230371 [1,0,0,0,1,0|0,0,2]=4 743 B8R0.23 [O-]C(=O)CC(O)C(O)=O Amb22734911 [1,0,0,0,1,0|0,0,1]=3 744 B8R0.23 [O-]C(=O)[C@@H](O)CC([O-])=O Amb22351833 [1,0,0,0,1,0|0,0,2]=4 745 B8R0.23 [O-]C(=O)[C@@H](O)CC([O-])=O Amb22801345 [1,0,0,0,1,0|0,0,2]=4 746 B8R0.12 C=CCC(C(=O)O)(C)C Amb10603495 [1,0,0,0,1,0|2,0,0]=4 747 B8R0.12 CC(=O)C(C)(C)CC=O Amb24532867 [1,0,0,0,1,0|2,0,0]=4 748 B8R0.12 CC(=O)C(C)(O)CC=C Amb24648764 [1,0,0,0,1,0|2,0,0]=4 749 B8R0.12 CC(=O)C(C)(O)CCO Amb25710178 [1,0,0,0,1,0|1,0,1]=4 750 B8R0.12 CC(C)(CC=O)C(O)=O Amb24340256 [1,0,0,0,1,0|1,0,0]=3 751 B8R0.12 CC(C)(CCO)C(O)=O Amb24763728 [1,0,0,0,1,0|1,0,1]=4 752 B8R0.12 CC(C)(CNO)C(O)=O Amb25204097 [1,0,0,0,1,0|2,0,0]=4 753 B8R0.12 CC(C)(NC=O)C(O)=O Amb18281022 [1,0,0,0,1,0|2,0,0]=4 754 B8R0.12 CC(N)(CC=C)C(O)=O Amb22733281 [1,0,0,0,1,0|2,0,0]=4 755 B8R0.12 CC(N)(CC=C)C(O)=O Amb22898994 [1,0,0,0,1,0|2,0,0]=4 756 B8R0.12 CC(N)(CCO)C(O)=O Amb24340273 [1,0,0,0,1,0|1,0,1]=4 757 B8R0.12 CC(O)(CC#C)C(O)=O Amb24680889 [1,0,0,0,1,0|1,0,1]=4 758 B8R0.12 CC(O)(CC=C)C(O)=O Amb25077172 [1,0,0,0,1,0|1,0,0]=3 759 B8R0.12 CC(O)(CCO)C(O)=O Amb25250520 [1,0,0,0,1,0|0,0,1]=3 760 B8R0.12 CC(O)(CNO)C(O)=O Amb25032323 [1,0,0,0,1,0|1,0,0]=3 761 B8R0.12 CC(O)(CON)C(O)=O Amb25853079 [1,0,0,0,1,0|2,0,0]=4 762 B8R0.12 CC(O)(NC=O)C(O)=O Amb24417430 [1,0,0,0,1,0|1,0,0]=3 763 B8R0.12 CC(S)(NC=O)C(O)=O Amb24477811 [1,0,0,0,1,0|1,1,0]=4 764 B8R0.12 CCCC(C)(O)C(O)=O Amb18288835 [1,0,0,0,1,0|1,0,1]=4 765 B8R0.12 CCC[C@](C)(O)C(O)=O Amb25114242 [1,0,0,0,1,0|1,0,1]=4 766 B8R0.12 COCC(C)(O)C(O)=O Amb18992608 [1,0,0,0,1,0|2,0,0]=4 767 B8R0.12 CSCC(C)(O)C(O)=O Amb18644426 [1,0,0,0,1,0|2,0,0]=4 768 B8R0.12 C[C@@](F)(CC=C)C(O)=O Amb25032094 [1,0,0,0,1,0|2,0,0]=4 769 B8R0.12 C[C@@](N)(CC=C)C(O)=O Amb23402145 [1,0,0,0,1,0|2,0,0]=4 770 B8R0.12 C[C@](F)(CC=C)C(O)=O Amb25251491 [1,0,0,0,1,0|2,0,0]=4 771 B8R0.12 C[C@](N)(CCO)C(O)=O Amb24720458 [1,0,0,0,1,0|1,0,1]=4 772 B8R0.37 CC(=C)C(C)(O)C(O)=O Amb18642760 [0,0,0,0,2,0|2,0,0]=4 773 B8R0.37 CC(=O)C(C)(C)C(O)=O Amb18642784 [0,0,0,0,2,0|2,0,0]=4 774 B8R0.37 CC(=O)C(C)(O)C(N)=O Amb24084329 [0,0,0,0,2,0|2,0,0]=4 775 B8R0.37 CC(=O)C(C)(O)C(O)=O Amb18642870 [0,0,0,0,2,0|1,0,0]=3 776 B8R0.37 CC(=O)C(O)(O)C(O)=O Amb24101440 [0,0,0,0,2,0|2,0,0]=4 777 B8R0.37 CC(Br)(C(O)=O)C(O)=O Amb24429036 [0,0,0,0,2,0|1,0,0]=3 778 B8R0.37 CC(O)(C(O)=O)C(O)=O Amb18124398 [0,0,0,0,2,0|0,0,0]=2 779 B8R0.37 CC(O)C(C)(O)C(O)=O Amb18124401 [0,0,0,0,2,0|1,0,1]=4 780 B8R0.37 C[C@@H](O)[C@@](C)(O)C(O)=O Amb25842427 [0,0,0,0,2,0|1,0,1]=4 781 B8R0.37 C[C@@](N)(C(O)=O)C(N)=O Amb25077574 [0,0,0,0,2,0|2,0,0]=4 782 B8R0.37 OC(=O)C(Br)(Br)C(O)=O Amb24707409 [0,0,0,0,2,0|2,0,0]=4 783 B8R0.37 OC(=O)C(C(=O)Cl)(C)C Amb17593749 [0,0,0,0,2,0|2,0,0]=4 784 B8R0.37 OC(=O)C(C(=O)O)(Cl)Cl Amb17594338 [0,0,0,0,2,0|2,0,0]=4 785 B8R0.37 OC(=O)C(Cl)(Br)C(O)=O Amb25827170 [0,0,0,0,2,0|2,0,0]=4 786 B8R0.37 OC(=O)C(F)(F)C(O)=O Amb24088375 [0,0,0,0,2,0|2,0,0]=4 787 B8R0.37 OC(O)(C(O)=O)C(O)=O Amb22002022 [0,0,0,0,2,0|1,0,0]=3 788 B10R0.96 CC(=CC(O)=O)SCC(O)=O Amb25384901 [1,0,0,0,0,1|0,0,2]=4 789 B10R0.96 CC(=O)CC(C)=NCC(O)=O Amb25384127 [1,0,0,0,0,1|1,0,1]=4 790 B10R0.96 CC(=O)NCC(C)CC(O)=O Amb25385229 [1,0,0,0,0,1|1,0,0]=3 791 B10R0.96 CC(=O)NC[C@H](C)CC(O)=O Amb25384945 [1,0,0,0,0,1|1,0,0]=3 792 B10R0.96 CC(C)=CCC(C)CC(O)=O Amb25381501 [1,0,0,0,0,1|2,0,0]=4 793 B10R0.96 CC(CC(O)=O)=NCC(O)=O Amb25385177 [1,0,0,0,0,1|0,0,1]=3 794 B10R0.96 CC(CC(O)=O)CNC(N)=O Amb24755267 [1,0,0,0,0,1|1,0,0]=3 795 B10R0.96 NC(=N)NC[C@H](O)CC(O)=O Amb25386387 [1,0,0,0,0,1|2,0,0]=4 796 B10R0.96 NC(=O)CC[C@@H](N)CC(O)=O Amb22746285 [1,0,0,0,0,1|2,0,0]=4 797 B10R0.96 NC(=O)CC[C@H](N)CC(O)=O Amb22348459 [1,0,0,0,0,1|2,0,0]=4 798 B10R0.96 NC(CC(O)=O)CCC(O)=O Amb22552564 [1,0,0,0,0,1|1,0,0]=3 799 B10R0.96 N[C@@H](CC(O)=O)CCC(O)=O Amb22750585 [1,0,0,0,0,1|1,0,0]=3 800 B10R0.96 OC(=O)CCC(=O)CC(O)=O Amb17689277 [1,0,0,0,0,1|0,0,2]=4 801 B10R0.96 OC(=O)CC[C@@H](CC(=O)O)N Amb16232070 [1,0,0,0,0,1|1,0,0]=3 802 B10R0.96 OC(=O)CNC(=O)CC(O)=O Amb18800491 [1,0,0,0,0,1|0,0,2]=4 803 B10R0.96 OC(CC(O)=O)CCC(O)=O Amb22727761 [1,0,0,0,0,1|0,0,0]=2 804 B10R0.105 CC(C)(CCC(O)=O)NC=O Amb18183323 [1,0,0,0,0,1|2,0,0]=4 805 B10R0.43 CC(=O)C(C)(C)CCC(O)=O Amb18126156 [0,0,0,0,1,1|2,0,0]=4 806 B10R0.43 CC(=O)CCC(C)(C)C(O)=O Amb18645019 [0,0,0,0,1,1|2,0,0]=4 807 B10R0.43 CC(=O)CSC(C(=O)O)(C)C Amb17501494 [0,0,0,0,1,1|2,0,0]=4 808 B10R0.43 CC(=O)NCC(C)(C)C(O)=O Amb25101566 [0,0,0,0,1,1|2,0,0]=4 809 B10R0.43 CC(C)(CCC(O)=O)C(N)=O Amb25382153 [0,0,0,0,1,1|2,0,0]=4 810 B10R0.43 CC(C)(COC(N)=O)C(O)=O Amb25385152 [0,0,0,0,1,1|2,0,0]=4 811 B10R0.43 CC(C)(NCC(N)=O)C(O)=O Amb18306733 [0,0,0,0,1,1|2,0,0]=4 812 B10R0.43 CC(C)(NCC(O)=O)C(N)=O Amb18306310 [0,0,0,0,1,1|2,0,0]=4 813 B10R0.43 CC(C)(OCC(O)=O)C(O)=O Amb25384885 [0,0,0,0,1,1|1,0,0]=3 814 B10R0.43 CC(C)(SCC(O)=O)C(N)=O Amb25381511 [0,0,0,0,1,1|2,0,0]=4 815 B10R0.43 CC(C)(\C=C\C(O)=O)C(O)=O Amb24487945 [0,0,0,0,1,1|1,0,1]=4 816 B10R0.43 CC(C)=CC[C@@](C)(O)C(O)=O Amb25059182 [0,0,0,0,1,1|2,0,0]=4 817 B10R0.43 CC(Cl)(CCC(O)=O)C(O)=O Amb25385218 [0,0,0,0,1,1|1,0,0]=3 818 B10R0.43 CC(N)(CCC(N)=O)C(O)=O Amb25385217 [0,0,0,0,1,1|2,0,0]=4 819 B10R0.43 CC(N)(CCC(O)=O)C(O)=O Amb22801426 [0,0,0,0,1,1|1,0,0]=3 820 B10R0.43 CC(O)(CCC(O)=O)C(O)=O Amb25384878 [0,0,0,0,1,1|0,0,0]=2 821 B10R0.43 C[C@@](O)(CCC(O)=O)C(O)=O Amb25386439 [0,0,0,0,1,1|0,0,0]=2 822 B10R0.43 NC(=O)CSC(C(=O)O)(C)C Amb17501450 [0,0,0,0,1,1|2,0,0]=4 823 B10R0.43 OC(=O)CCC(Cl)(Cl)C(O)=O Amb25384394 [0,0,0,0,1,1|2,0,0]=4 824 B10R0.43 OC(=O)CCC(F)(F)C(O)=O Amb22263070 [0,0,0,0,1,1|2,0,0]=4 825 B10R0.43 OC(=O)CSC(C(=O)O)(C)C Amb17501462 [0,0,0,0,1,1|1,0,0]=3 826 B12R0.388 C[Si](C)(CCC(O)=O)CCC(O)=O Amb22346891 [0,0,0,0,0,2|1,1,0]=4 827 B12R0.388 OC(=O)CCP(=O)(CCC(=O)O)O Amb1789457 [0,0,0,0,0,2|2,0,0]=4