0 B7R0.16 CC(C(=O)O)N(C)C P40714 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.16 CC(C)[C@@H](O)C(=O)O P40530 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.16 CC(N)C(=O)N(C)C P42081 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.16 CC(N)C(=O)N(C)C P42198 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.16 C[C@@H](N)C(=O)N(C)C P39515 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.16 C[C@@H](N)C(=O)N(C)C P41438 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O P39382 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.16 C[C@H](N)C(=O)N(C)C P36061 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.16 C[C@H](N)C(=O)N(C)C P42054 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Q70089 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.2 CC(=O)NC(C)C P50955 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.2 CC(C)C[C@@H](C)O Q70085 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.2 CC(O)CC(=O)O P38963 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.2 CN(C)CC(N)=O P36935 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.2 C[C@@H](N)CC(=O)O P38442 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.2 C[C@@H](O)CC(=O)O P36990 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.2 C[C@H](N)CC(=O)O P38443 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.2 C[C@H](O)CC(=O)O P37046 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.3 C#CC(=O)N(C)C L19965 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.3 CC(C)[C@@H](N)CO L13788 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.3 CCC(N)C(N)=O P35312 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.3 CC[C@@H](Br)C(=O)O P45858 [1,0,0,0,0,0|1,0,1]=3 23 B6R0.3 CC[C@@H](O)C(=O)O P40022 [1,0,0,0,0,0|0,0,2]=3 24 B6R0.3 CC[C@H](Br)C(=O)O P45751 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.3 CC[C@H](O)C(=O)O P38746 [1,0,0,0,0,0|0,0,2]=3 26 B6R0.3 CN(C)C(=O)CN P36418 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.3 CNC(=O)C(C)N P38407 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.3 CNC(=O)[C@@H](C)N P37080 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.3 CNC(=O)[C@H](C)N P37082 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.3 CO[C@@H](C)C(=O)O I-9183 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.3 C[C@@H](CN)C(=O)O Q69056 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.3 C[C@@H](CN)C(=O)O Q69059 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.3 C[C@H](CN)C(=O)O Q69061 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.3 C[C@H](CN)C(=O)O Q69064 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.3 C[C@H](CO)C(=O)O 10021 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.3 C\C=C(/F)C(=O)O F-4310 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.3 NCC(N)C(=O)O P37494 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.3 NCC(O)C(=O)O O28965 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.3 NC[C@@H](O)C(=O)O 10685 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.3 NC[C@H](N)C(=O)O P40075 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O O28696 [0,1,0,0,0,0|1,0,1]=3 42 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O O28455 [0,1,0,0,0,0|1,0,1]=3 43 B8R0.2 CNC(=O)C(N)C(C)C P40222 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.2 CNC(=O)[C@@H](N)C(C)C Q66204 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.2 CON(C)C(=O)C(C)C L13790 [0,1,0,0,0,0|2,0,0]=3 46 B8R0.18 CC(C)[C@@H](CN)C(=O)O Q69066 [0,1,0,0,0,0|1,0,1]=3 47 B8R0.18 CC(C)[C@@H](CN)C(=O)O Q69069 [0,1,0,0,0,0|1,0,1]=3 48 B8R0.18 CC(C)[C@H](CN)C(=O)O Q69070 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.18 CC(C)[C@H](CN)C(=O)O Q69073 [0,1,0,0,0,0|1,0,1]=3 50 B8R0.18 CNC(C(=O)O)C(C)C P39309 [0,1,0,0,0,0|1,0,1]=3 51 B8R0.18 CN[C@H](C(=O)O)C(C)C P40211 [0,1,0,0,0,0|1,0,1]=3 52 B8R0.27 CC(C)(C)C(O)C(=O)O M23224 [0,1,0,0,0,0|0,0,2]=3 53 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O P39602 [0,1,0,0,0,0|0,0,2]=3 54 B8R0.27 CC(C)(C)[C@H](O)C(=O)O P39705 [0,1,0,0,0,0|0,0,2]=3 55 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O Q68942 [0,1,0,0,0,0|1,0,1]=3 56 B8R0.27 CC(C)(O)[C@H](N)C(=O)O Q68916 [0,1,0,0,0,0|1,0,1]=3 57 B8R0.27 CC(C)(S)C(N)C(=O)O Q68947 [0,1,0,0,0,0|1,0,1]=3 58 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O I-9879 [0,1,0,0,0,0|1,0,1]=3 59 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Q68945 [0,1,0,0,0,0|1,0,1]=3 60 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Q68949 [0,1,0,0,0,0|1,0,1]=3 61 B8R0.27 CN(C)C(=O)C(C)(C)N P36955 [0,1,0,0,0,0|3,0,0]=4 62 B8R0.27 CN(C)C(=O)C(C)(C)N P43110 [0,1,0,0,0,0|3,0,0]=4 63 B8R0.37 CC(C)C(C)(O)C(=O)O Q69152 [0,1,0,0,0,0|0,0,2]=3 64 B8R0.37 CC(C)[C@@](C)(N)C(=O)O Q68939 [0,1,0,0,0,0|1,0,1]=3 65 B8R0.37 CC(C)[C@](C)(N)C(=O)O Q68936 [0,1,0,0,0,0|1,0,1]=3 66 B8R0.37 CN(C)C(C)(C)C(=O)O P34770 [0,1,0,0,0,0|2,0,1]=4 67 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C P50610 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.31 CC(=O)[C@H]1CC[C@H]1C P45662 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.31 CC1CCC1C(=O)O P45629 [0,0,0,1,0,0|1,0,1]=3 70 B8R1.31 CC1NCC1C(=O)O L22133 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.31 CN1CCC1C(=O)O P49637 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.31 CN1CC[C@@H]1C(=O)O H-8820 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.31 CN1CC[C@H]1C(=O)O H-8821 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O L14485 [0,0,0,1,0,0|1,0,1]=3 75 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O P50093 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O K13449 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.31 NC1CCC1C(=O)O P47809 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.31 NC1COC1C(=O)O Q56135 [0,0,0,1,0,0|1,0,2]=4 79 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O P45363 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O L13901 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P44744 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P45102 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O Q52861 [0,0,0,1,0,0|1,0,2]=4 84 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q52863 [0,0,0,1,0,0|1,0,2]=4 85 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q54778 [0,0,0,1,0,0|1,0,2]=4 86 B8R1.31 N[C@H]1CC[C@H]1C(=O)O L21391 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P45103 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Q53487 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O Q52864 [0,0,0,1,0,0|1,0,2]=4 90 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q52862 [0,0,0,1,0,0|1,0,2]=4 91 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q54777 [0,0,0,1,0,0|1,0,2]=4 92 B8R1.31 O=C(O)C1CCC1F P47126 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.31 O=C(O)C1CCC1O P49194 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O P48368 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.50 CC1=C(O)COC1=O O32297 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.50 CC1CCN(C)C1=O O30589 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.50 CN1CCC(=O)C1=O Q59432 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.50 CN1CCC(O)C1=O Q62094 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.54 CC(Br)C(=O)C1CC1 L14735 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.54 NC(=O)C(N)C1CC1 L20769 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.54 NC(C(=O)O)C1CC1 O27895 [0,0,0,1,0,0|1,0,1]=3 102 B8R1.54 N[C@@H](C(=O)O)C1CC1 G-5951 [0,0,0,1,0,0|1,0,1]=3 103 B8R1.54 N[C@H](C(=O)O)C1CC1 O28968 [0,0,0,1,0,0|1,0,1]=3 104 B8R0.23 CC(=O)NC(=O)C(N)=O S86732 [0,0,0,0,0,1|2,0,1]=4 105 B8R0.23 CC(C)C(N)CC(=O)O M22680 [0,0,0,0,0,1|1,0,1]=3 106 B8R0.23 CC(C)C[C@@H](O)C(=O)O P39959 [0,0,0,0,0,1|0,0,2]=3 107 B8R0.23 CC(C)N(C)CC(=O)O P42706 [0,0,0,0,0,1|2,0,0]=3 108 B8R0.23 CC(C)OC(=O)[C@@H](C)N P38334 [0,0,0,0,0,1|2,0,1]=4 109 B8R0.23 CC(C)[C@@H](N)CC(=O)O P38250 [0,0,0,0,0,1|1,0,1]=3 110 B8R0.23 CC(C)[C@@H](N)CC(=O)O Q68993 [0,0,0,0,0,1|1,0,1]=3 111 B8R0.23 CC(C)[C@H](N)CC(=O)O P36212 [0,0,0,0,0,1|1,0,1]=3 112 B8R0.23 CC(C)[C@H](N)CC(=O)O Q68999 [0,0,0,0,0,1|1,0,1]=3 113 B8R0.23 CC(C)\C=C(/F)C(=O)O F-4311 [0,0,0,0,0,1|1,0,0]=2 114 B8R0.23 CN(C)C[C@H](N)C(=O)O P43074 [0,0,0,0,0,1|2,0,1]=4 115 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68990 [0,0,0,0,0,1|2,0,1]=4 116 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68992 [0,0,0,0,0,1|2,0,1]=4 117 B5R0.1 O=C(O)CCF A-698 [2,0,0,0,0,0|1,0,1]=4 118 B5R0.3 CNC(=O)CO P37539 [2,0,0,0,0,0|1,0,1]=4 119 B5R0.5 C=C(F)C(=O)O P51526 [2,0,0,0,0,0|1,0,1]=4 120 B5R0.5 CC(C)S(N)=O O29745 [2,0,0,0,0,0|2,0,0]=4 121 B5R0.5 CC(N)C(N)=O P37963 [2,0,0,0,0,0|2,0,0]=4 122 B5R0.5 CC(O)C(N)=O P39940 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.5 C[C@@H](O)C(N)=O P37171 [2,0,0,0,0,0|2,0,0]=4 124 B7R0.2 C#CC(=O)OC(C)C S86242 [1,1,0,0,0,0|2,0,0]=4 125 B7R0.2 C=CC(=O)CC(C)C L19279 [1,1,0,0,0,0|1,0,1]=4 126 B7R0.2 CC(C)NC(=O)CBr P36229 [1,1,0,0,0,0|2,0,0]=4 127 B7R0.2 CC(C)NC(=O)CN P36647 [1,1,0,0,0,0|2,0,0]=4 128 B7R0.2 CC(C)NC(=O)CN P37073 [1,1,0,0,0,0|2,0,0]=4 129 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [1,1,0,0,0,0|1,0,1]=4 130 B7R0.2 CC[C@H](N)CC(=O)O M23203 [1,1,0,0,0,0|1,0,1]=4 131 B7R0.2 COC(=O)CC(C)N P41489 [1,1,0,0,0,0|1,0,1]=4 132 B7R0.2 COC(=O)CN(C)C P36457 [1,1,0,0,0,0|1,0,1]=4 133 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [1,1,0,0,0,0|1,0,1]=4 134 B7R0.2 NCC(O)CC(=O)O P35068 [1,1,0,0,0,0|1,0,1]=4 135 B7R0.2 N[C@@H](CO)CC(=O)O Q68983 [1,1,0,0,0,0|1,0,1]=4 136 B7R0.2 N[C@@H](CO)CC(=O)O Q68986 [1,1,0,0,0,0|1,0,1]=4 137 B7R0.2 N[C@H](CO)CC(=O)O Q68987 [1,1,0,0,0,0|1,0,1]=4 138 B7R0.2 N[C@H](CO)CC(=O)O Q68989 [1,1,0,0,0,0|1,0,1]=4 139 B7R0.5 CCC[C@H](O)C(=O)O P51274 [1,1,0,0,0,0|0,0,2]=4 140 B7R0.5 CCNC(C)C(=O)O P36832 [1,1,0,0,0,0|1,0,1]=4 141 B7R0.5 CCN[C@@H](C)C(=O)O P36816 [1,1,0,0,0,0|1,0,1]=4 142 B7R0.5 CCN[C@H](C)C(=O)O P35138 [1,1,0,0,0,0|1,0,1]=4 143 B7R0.5 CCOC(=O)C(=O)O P37044 [1,1,0,0,0,0|0,0,0]=2 144 B7R0.5 COC[C@@H](N)C(=O)O P35719 [1,1,0,0,0,0|1,0,1]=4 145 B7R0.5 COC[C@H](N)C(=O)O P38808 [1,1,0,0,0,0|1,0,1]=4 146 B7R0.5 N[C@@H](CCBr)C(=O)O P41033 [1,1,0,0,0,0|1,0,1]=4 147 B7R0.5 N[C@@H](CCS)C(=O)O A-694 [1,1,0,0,0,0|1,0,1]=4 148 B7R0.10 CCC(=O)N(C)OC P42839 [1,1,0,0,0,0|2,0,0]=4 149 B7R0.10 CN[C@@H](C)C(=O)OC P40007 [1,1,0,0,0,0|2,0,0]=4 150 B7R0.10 COC(=O)C(C)CN P35475 [1,1,0,0,0,0|2,0,0]=4 151 B7R0.13 CCC(C)(N)C(=O)O P37187 [1,1,0,0,0,0|1,0,1]=4 152 B7R0.13 CC[C@@](C)(N)C(=O)O Q68927 [1,1,0,0,0,0|1,0,1]=4 153 B7R0.13 CC[C@](C)(N)C(=O)O Q68924 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.14 CCC(=O)C(C)(C)C O30499 [1,1,0,0,0,0|1,0,1]=4 155 B7R0.14 CNC(=O)C(C)(C)N P35830 [1,1,0,0,0,0|2,0,0]=4 156 B7R0.14 CNC(=O)C(C)(C)N P42765 [1,1,0,0,0,0|2,0,0]=4 157 B7R0.15 CCC(NC)C(=O)O P42253 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.15 C\C=C(/C#N)C(=O)O F-4312 [1,1,0,0,0,0|1,0,1]=4 159 B9R0.11 CC(C)CC(C)(N)C(=O)O P41237 [0,1,0,0,0,1|1,0,1]=4 160 B9R0.11 CC(C)C[C@](C)(N)C(=O)O Q66110 [0,1,0,0,0,1|1,0,1]=4 161 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Q68967 [0,1,0,0,0,1|1,0,1]=4 162 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Q68970 [0,1,0,0,0,1|1,0,1]=4 163 B9R0.23 COC(=O)[C@H](N)CC(C)C P37232 [0,1,0,0,0,1|1,0,1]=4 164 B9R0.23 COC(=O)[C@H](O)CC(C)C P42599 [0,1,0,0,0,1|0,0,2]=4 165 B9R0.39 CC(C)CC(CN)C(=O)O P43094 [0,1,0,0,0,1|1,0,1]=4 166 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Q69039 [0,1,0,0,0,1|1,0,1]=4 167 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Q69042 [0,1,0,0,0,1|1,0,1]=4 168 B9R0.39 CC(C)C[C@H](CN)C(=O)O Q69043 [0,1,0,0,0,1|1,0,1]=4 169 B9R0.39 CC(C)C[C@H](CN)C(=O)O Q69046 [0,1,0,0,0,1|1,0,1]=4 170 B9R0.39 CC(C)\C=C(/C#N)C(=O)O K12223 [0,1,0,0,0,1|1,0,0]=3 171 B9R0.39 CN[C@@H](CC(C)C)C(=O)O P36732 [0,1,0,0,0,1|1,0,1]=4 172 B9R0.39 CN[C@H](CC(C)C)C(=O)O F-4647 [0,1,0,0,0,1|1,0,1]=4 173 B9R0.42 COC(=O)C[C@H](N)C(C)C Q68995 [0,1,0,0,0,1|1,0,1]=4 174 B9R0.57 CC(C)(C)CC(N)C(=O)O P42786 [0,1,0,0,0,1|1,0,1]=4 175 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O P35494 [0,1,0,0,0,1|1,0,1]=4 176 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O P37339 [0,1,0,0,0,1|1,0,1]=4 177 B9R0.57 CC(NC(C)(C)C)C(=O)O L19939 [0,1,0,0,0,1|1,0,1]=4 178 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O Q68917 [0,1,0,0,0,1|0,0,2]=4 179 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O Q68920 [0,1,0,0,0,1|0,0,2]=4 180 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O Q68921 [0,1,0,0,0,1|0,0,2]=4 181 B9R0.25 COC(=O)C(N)C(C)(C)C P39601 [0,2,0,0,0,0|1,0,1]=4 182 B9R0.25 COC(=O)[C@H](N)C(C)(C)C P40707 [0,2,0,0,0,0|1,0,1]=4 183 B9R0.25 CON(C)C(=O)C(C)(C)C O30747 [0,2,0,0,0,0|2,0,0]=4 184 B9R0.32 C=CC(C)(C)[C@H](N)C(=O)O L18738 [0,2,0,0,0,0|1,0,1]=4 185 B9R0.41 CCC(CC)C(N)C(=O)O M22686 [0,2,0,0,0,0|1,0,1]=4 186 B9R0.41 CCC(CC)[C@@H](N)C(=O)O P41265 [0,2,0,0,0,0|1,0,1]=4 187 B9R0.41 CCC(CC)[C@H](N)C(=O)O P41266 [0,2,0,0,0,0|1,0,1]=4 188 B9R0.54 CC(C)[C@H](C(=O)O)N(C)C P35286 [0,2,0,0,0,0|1,0,1]=4 189 B9R0.72 CC(C)(C)C(CN)C(=O)O M23308 [0,2,0,0,0,0|1,0,1]=4 190 B9R0.72 CC(C)(C)[C@@H](CN)C(=O)O Q69008 [0,2,0,0,0,0|1,0,1]=4 191 B9R0.72 CC(C)(C)[C@H](CN)C(=O)O Q69010 [0,2,0,0,0,0|1,0,1]=4 192 B7R1.2 CC1=NC(C)CO1 M15289 [1,0,0,1,0,0|2,0,0]=4 193 B7R1.2 CC1CNC(=O)C1 L13710 [1,0,0,1,0,0|1,0,1]=4 194 B7R1.2 CC1CNC(=O)O1 P51279 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [1,0,0,1,0,0|1,0,1]=4 196 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [1,0,0,1,0,0|1,0,1]=4 198 B7R1.12 CC1CC1C(=O)Cl O31612 [1,0,0,1,0,0|1,0,1]=4 199 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [1,0,0,1,0,0|0,0,1]=3 200 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [1,0,0,1,0,0|0,0,1]=3 201 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [1,0,0,1,0,0|0,0,1]=3 202 B7R1.12 O=C(O)C1CC1F Q52394 [1,0,0,1,0,0|1,0,1]=4 203 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F K10809 [1,0,0,1,0,0|1,0,1]=4 204 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33126 [1,0,0,1,0,0|1,0,1]=4 205 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33327 [1,0,0,1,0,0|1,0,1]=4 206 B7R1.12 O=C(O)[C@H]1C[C@@H]1F O33229 [1,0,0,1,0,0|1,0,1]=4 207 B7R1.12 O=C(O)[C@H]1C[C@H]1F K10802 [1,0,0,1,0,0|1,0,1]=4 208 B7R1.16 CC1(C)CC(=O)C1 L21874 [1,0,0,1,0,0|1,0,1]=4 209 B7R1.16 CC1(C)CC(=O)N1 P45568 [1,0,0,1,0,0|1,0,1]=4 210 B7R1.20 O=C(Cl)CC1CC1 Q54347 [1,0,0,1,0,0|1,0,1]=4 211 B7R1.20 O=C(O)CC1CC1 F-4292 [1,0,0,1,0,0|0,0,1]=3 212 B7R1.20 O=C(O)CC1CO1 P45743 [1,0,0,1,0,0|1,0,1]=4 213 B7R1.4 CC1CCNC1=O O30375 [1,0,0,1,0,0|2,0,0]=4 214 B7R1.4 C[C@@H]1CCNC1=O Q61716 [1,0,0,1,0,0|2,0,0]=4 215 B7R1.4 C[C@H]1CCNC1=O Q61658 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.4 O=C1CCC=C1O A-670 [1,0,0,1,0,0|1,0,0]=3 217 B7R1.4 O=C1CCCC1=O L19145 [1,0,0,1,0,0|1,0,0]=3 218 B7R1.4 O=C1CCCC1O Q61720 [1,0,0,1,0,0|1,0,1]=4 219 B7R1.4 O=C1CCNC1=O Q62042 [1,0,0,1,0,0|1,0,0]=3 220 B7R1.17 CC1(C)CCC1=O Q54759 [1,0,0,1,0,0|1,0,1]=4 221 B7R1.17 CC1(C)CNC1=O P45241 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.17 CC1(C)OCC1=O L22440 [1,0,0,1,0,0|0,0,1]=3 223 B7R1.18 O=C(O)C1CCN1 B-1112 [1,0,0,1,0,0|1,0,1]=4 224 B7R1.18 O=C(O)C1CCO1 D-2702 [1,0,0,1,0,0|0,0,2]=4 225 B7R1.18 O=C(O)[C@@H]1CCN1 B-1110 [1,0,0,1,0,0|1,0,1]=4 226 B7R1.18 O=C(O)[C@@H]1CCN1 P46195 [1,0,0,1,0,0|1,0,1]=4 227 B7R1.18 O=C(O)[C@@H]1CCO1 Q62698 [1,0,0,1,0,0|0,0,2]=4 228 B7R1.18 O=C(O)[C@H]1CCN1 B-1109 [1,0,0,1,0,0|1,0,1]=4 229 B7R1.18 O=C(O)[C@H]1CCN1 P45364 [1,0,0,1,0,0|1,0,1]=4 230 B7R1.18 O=C(O)[C@H]1CCO1 Q62699 [1,0,0,1,0,0|0,0,2]=4 231 B7R1.18 O=C([O-])C1=CCC1 P50045 [1,0,0,1,0,0|1,0,1]=4 232 B7R1.19 CC1(C(=O)O)CC1 G-6948 [1,0,0,1,0,0|1,0,1]=4 233 B7R1.19 NC1(C(=O)O)CC1 G-5950 [1,0,0,1,0,0|1,0,1]=4 234 B7R1.19 O=C(O)C1(Br)CC1 O34313 [1,0,0,1,0,0|1,0,1]=4 235 B7R1.19 O=C(O)C1(F)CC1 O33313 [1,0,0,1,0,0|1,0,1]=4 236 B7R1.19 O=C(O)C1(O)CC1 I-9870 [1,0,0,1,0,0|0,0,2]=4 237 B7R1.22 CCC(=O)C1CC1 I-9941 [1,0,0,1,0,0|1,0,1]=4 238 B7R1.22 NNC(=O)C1CC1 G-5359 [1,0,0,1,0,0|2,0,0]=4 239 B9R1.35 CC(C)C1=NOC(N)=C1 A-654 [0,0,0,1,0,1|2,0,0]=4 240 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 O32949 [0,0,0,1,0,1|1,0,1]=4 241 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 Q53020 [0,0,0,1,0,1|1,0,1]=4 242 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Q53019 [0,0,0,1,0,1|1,0,1]=4 243 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Q52436 [0,0,0,1,0,1|1,0,1]=4 244 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Q52437 [0,0,0,1,0,1|1,0,1]=4 245 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 O32956 [0,0,0,1,0,1|1,0,1]=4 246 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 Q52337 [0,0,0,1,0,1|1,0,1]=4 247 B9R1.38 CC1(Br)CC(=O)NC1=O Q53545 [0,0,0,1,0,1|2,0,0]=4 248 B9R1.55 CN1CC(C(=O)O)C1=O P45627 [0,0,0,1,0,1|1,0,0]=3 249 B9R1.67 CC1CCN1CC(=O)O P47040 [0,0,0,1,0,1|2,0,0]=4 250 B9R1.67 CC1CCN1CC(=O)O P47963 [0,0,0,1,0,1|2,0,0]=4 251 B9R1.69 CC1CCC(=O)OC1=O Q61441 [0,0,0,1,0,1|1,0,0]=3 252 B9R1.69 CN1CCC(=O)CC1=O H-8214 [0,0,0,1,0,1|2,0,0]=4 253 B9R1.112 C\C(=C/C1CC1)C(=O)O O29378 [0,0,0,1,0,1|1,0,0]=3 254 B9R1.112 NC(CC1CC1)C(=O)O O28074 [0,0,0,1,0,1|1,0,1]=4 255 B9R1.112 N[C@@H](CC1CC1)C(=O)O O28950 [0,0,0,1,0,1|1,0,1]=4 256 B9R1.112 N[C@H](CC1CC1)C(=O)O O28870 [0,0,0,1,0,1|1,0,1]=4 257 B9R1.112 O=C(O)[C@@H](O)CC1CC1 P38965 [0,0,0,1,0,1|0,0,2]=4 258 B9R1.112 O=C(O)[C@H](O)CC1CC1 P40522 [0,0,0,1,0,1|0,0,2]=4 259 B9R1.137 C\C(=C\C(=O)O)C1CC1 O30728 [0,0,0,1,0,1|1,0,0]=3 260 B9R1.137 NC(CC(=O)O)C1CC1 P38780 [0,0,0,1,0,1|1,0,1]=4 261 B9R1.137 O=C(O)CC(=O)C1CC1 F-4421 [0,0,0,1,0,1|0,0,0]=2 262 B9R1.152 CC1CC(C)(C(=O)O)C1 P45152 [0,0,0,1,0,1|1,0,1]=4 263 B9R1.152 CC1CC(N)(C(=O)O)C1 P47365 [0,0,0,1,0,1|1,0,1]=4 264 B9R1.164 CC1(C)C=C(C(=O)O)C1 G-5685 [0,0,0,1,0,1|1,0,0]=3 265 B9R1.164 CC1(C)CC(C(=O)O)C1 G-7355 [0,0,0,1,0,1|1,0,1]=4 266 B9R1.3 O=C1CCCC(Br)C1=O P45897 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.41 CC1CCNC1C(=O)O Q57359 [0,1,0,1,0,0|1,0,1]=4 268 B9R1.41 CC1CCNC1C(=O)O Q57360 [0,1,0,1,0,0|1,0,1]=4 269 B9R1.41 CC1CNCC1C(=O)O Q59247 [0,1,0,1,0,0|1,0,1]=4 270 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O Q62191 [0,1,0,1,0,0|1,0,1]=4 271 B9R1.96 CCC1CCC1C(=O)O P47971 [0,1,0,1,0,0|1,0,1]=4 272 B9R1.96 CCC1CN[C@@H]1C(=O)O L21366 [0,1,0,1,0,0|1,0,1]=4 273 B9R1.96 CO[C@@H]1CC[C@@H]1C(=O)O P50796 [0,1,0,1,0,0|1,0,1]=4 274 B9R1.96 CO[C@@H]1CC[C@H]1C(=O)O P48367 [0,1,0,1,0,0|1,0,1]=4 275 B9R1.96 O=C(O)C1CCC1CF P48305 [0,1,0,1,0,0|1,0,1]=4 276 B9R1.96 O=C(O)N1CCC1CO P47009 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.101 COC(=O)C(N)C1CC1 P37580 [0,1,0,1,0,0|1,0,1]=4 278 B9R1.101 COC(=O)[C@@H](N)C1CC1 P41444 [0,1,0,1,0,0|1,0,1]=4 279 B9R1.101 COC(=O)[C@H](N)C1CC1 P41443 [0,1,0,1,0,0|1,0,1]=4 280 B9R1.101 CON(C)C(=O)C1CC1 L13795 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.110 CC(C(=O)O)C1CCC1 P49848 [0,1,0,1,0,0|1,0,1]=4 282 B9R1.110 CC(C(=O)O)C1CCO1 Q56202 [0,1,0,1,0,0|1,0,1]=4 283 B9R1.110 CC(C(=O)O)C1CNC1 P47100 [0,1,0,1,0,0|1,0,1]=4 284 B9R1.110 CC(C(=O)O)C1CNC1 P47946 [0,1,0,1,0,0|1,0,1]=4 285 B9R1.110 NC(C(=O)O)C1CCC1 G-7603 [0,1,0,1,0,0|1,0,1]=4 286 B9R1.110 NC(C(=O)O)C1CCC1 P48639 [0,1,0,1,0,0|1,0,1]=4 287 B9R1.110 NC(C(=O)O)C1COC1 F-4658 [0,1,0,1,0,0|1,0,1]=4 288 B9R1.110 N[C@@H](C(=O)O)C1CCC1 I-9625 [0,1,0,1,0,0|1,0,1]=4 289 B9R1.110 N[C@@H](C(=O)O)C1COC1 G-7604 [0,1,0,1,0,0|1,0,1]=4 290 B9R1.110 N[C@H](C(=O)O)C1COC1 G-7605 [0,1,0,1,0,0|1,0,1]=4 291 B9R1.110 O=C(O)C(F)C1COC1 Q63100 [0,1,0,1,0,0|1,0,1]=4 292 B9R1.110 O=C(O)C(O)C1CCC1 P48825 [0,1,0,1,0,0|0,0,2]=4 293 B9R1.110 O=C(O)[C@@H](O)C1CCC1 P45090 [0,1,0,1,0,0|0,0,2]=4 294 B9R1.110 O=C(O)[C@H](O)C1CCC1 P46146 [0,1,0,1,0,0|0,0,2]=4 295 B9R1.111 CC1(C(N)C(=O)O)CC1 L14530 [0,1,0,1,0,0|1,0,1]=4 296 B9R1.111 CC1([C@H](N)C(=O)O)CC1 G-7090 [0,1,0,1,0,0|1,0,1]=4 297 B9R1.52 CC1CN(C)[C@@H]1C(=O)O L14533 [0,1,0,1,0,0|1,0,1]=4 298 B9R1.166 CC1(C)CCC1C(=O)O P45623 [0,1,0,1,0,0|1,0,1]=4 299 B9R1.166 CC1(C)CN[C@@H]1C(=O)O L13876 [0,1,0,1,0,0|1,0,1]=4 300 B9R1.166 CC1(C)CN[C@H]1C(=O)O P46143 [0,1,0,1,0,0|1,0,1]=4 301 B9R1.166 CC1(C)OCC1C(=O)O Q52795 [0,1,0,1,0,0|0,0,2]=4 302 B9R1.223 CC1(C)OC(C)(C)C1=O Q56204 [0,1,0,1,0,0|1,0,1]=4 303 B9R1.165 CC(C)(C(=O)O)C1CC1 L20381 [0,1,0,1,0,0|1,0,1]=4 304 B9R1.165 CC(N)(C(=O)O)C1CC1 P37354 [0,1,0,1,0,0|1,0,1]=4 305 B9R2.144 O=C(O)C12CCC1C2 Q54741 [0,0,0,2,0,0|1,0,1]=4 306 B9R2.147 O=C(O)C1C2CC1C2 Q53412 [0,0,0,2,0,0|1,0,1]=4 307 B9R2.143 O=C(O)C1CC12CC2 L18059 [0,0,0,2,0,0|1,0,1]=4 308 B7R0.6 CC(C)=CCC(=O)O P43260 [1,0,0,0,0,1|0,0,1]=3 309 B7R0.6 CC(C)OCC(=O)O P38749 [1,0,0,0,0,1|0,0,1]=3 310 B9R0.7 CC(C)CC[C@@H](N)C(=O)O P41429 [0,0,0,0,0,2|1,0,1]=4 311 B9R0.7 CC(C)CC[C@H](N)C(=O)O M22613 [0,0,0,0,0,2|1,0,1]=4 312 B9R0.7 CN(C)C(=O)\C=C\C(=O)O L18912 [0,0,0,0,0,2|1,0,0]=3 313 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O P38303 [0,0,0,0,0,2|1,0,0]=3 314 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Q68973 [0,0,0,0,0,2|1,0,1]=4 315 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Q68975 [0,0,0,0,0,2|1,0,1]=4 316 B9R0.53 CC(C)C[C@H](N)CC(=O)O P39532 [0,0,0,0,0,2|1,0,1]=4 317 B9R0.53 CC(C)C[C@H](N)CC(=O)O Q68972 [0,0,0,0,0,2|1,0,1]=4