0 B6R0.3 C=C[C@@H](C)C(=O)O H-8974 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 C=C[C@H](C)C(=O)O H-8989 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 CC(C)[C@@H](N)CO L13788 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.3 CCC(N)C(C)O L20519 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.3 CCC(N)C(N)=O P35312 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.3 CC[C@@H](Br)C(=O)O P45858 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.3 CC[C@@H](O)C(=O)O P40022 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.3 CC[C@H](Br)C(=O)O P45751 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.3 CC[C@H](O)C(=O)O P38746 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.3 CNC(C)C(N)=O P41317 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.3 CO[C@@H](C)C(=O)O I-9183 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.3 C[C@@H](CN)C(=O)O Q69056 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.3 C[C@@H](CN)C(=O)O Q69059 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.3 C[C@H](CN)C(=O)O Q69061 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.3 C[C@H](CN)C(=O)O Q69064 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.3 C[C@H](CO)C(=O)O 10021 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.3 C\C=C(/F)C(=O)O F-4310 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.3 NCC(N)C(=O)O P37494 [0,0,0,0,0,0|1,0,0]=1 18 B6R0.3 NCC(O)C(=O)O O28965 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.3 NC[C@@H](O)C(=O)O 10685 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.3 NC[C@H](N)C(=O)O P40075 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.1 CC(N)CCO P39048 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CC(O)CCN M22972 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 C[C@@H](N)CCO F-4752 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 C[C@H](N)CCO F-4570 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 O=C(O)CCF A-698 [1,0,0,0,0,0|1,0,0]=2 26 B5R0.1 OCCC(F)F P45589 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.3 CC(CN)CO O30604 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.3 CNC(C)CO M23268 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.3 CN[C@@H](C)CO P38191 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.3 CN[C@H](C)CO P41018 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.3 NC[C@@H](F)CO L22313 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.3 NC[C@H](F)CO O33576 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.5 C=C(F)C(=O)O P51526 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.5 CC(C)S(N)=O O29745 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.5 CC(Cl)C(=N)N L21176 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.5 CC(N)C(C)O P38125 [1,0,0,0,0,0|1,0,1]=3 37 B5R0.5 CC(N)C(F)F H-8439 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.5 CC(N)C(F)F H-8440 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.5 CC(N)C(N)=O P37963 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.5 CC(O)C(N)=O P39940 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.5 C[C@@H](O)C(=N)N P38252 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.5 C[C@@H](O)C(N)=O P37171 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.5 C[C@H](O)C(=N)N P41718 [1,0,0,0,0,0|3,0,0]=4 44 B7R0.5 C#CCC(N)C(=O)O P37796 [0,1,0,0,0,0|1,0,0]=2 45 B7R0.5 C#CC[C@@H](N)C(=O)O P39505 [0,1,0,0,0,0|1,0,0]=2 46 B7R0.5 C#CC[C@H](N)C(=O)O P39506 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.5 C=CC[C@@H](N)C(=O)O P37509 [0,1,0,0,0,0|1,0,0]=2 48 B7R0.5 C=CC[C@H](N)C(=O)O O28653 [0,1,0,0,0,0|1,0,0]=2 49 B7R0.5 C=CC[C@H](N)C(=O)O P40769 [0,1,0,0,0,0|1,0,0]=2 50 B7R0.5 CC(C)[C@H](N)CCO Q69023 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.5 CCC[C@H](O)C(=O)O P51274 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.5 CCNC(C)C(=O)O P36832 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.5 CCN[C@@H](C)C(=O)O P36816 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.5 CCN[C@H](C)C(=O)O P35138 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.5 CCOC(=O)C(=O)O P37044 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.5 COC[C@@H](N)C(=O)O P35719 [0,1,0,0,0,0|0,0,0]=1 57 B7R0.5 COC[C@H](N)C(=O)O P38808 [0,1,0,0,0,0|0,0,0]=1 58 B7R0.5 N[C@@H](CCBr)C(=O)O P41033 [0,1,0,0,0,0|1,0,0]=2 59 B7R0.5 N[C@@H](CCS)C(=O)O A-694 [0,1,0,0,0,0|0,1,0]=2 60 B7R0.10 CN[C@@H](C)C(=O)OC P40007 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.10 COC(=O)C(C)CN P35475 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.10 COC(=O)[C@@H](N)CN P41137 [0,1,0,0,0,0|1,0,0]=2 63 B7R0.13 C#CC(C)(C)C(=O)O H-8770 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.13 CC(=O)C(C)(C)CO O34551 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.13 CC(C)(CN)C(=O)O P40193 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.13 CC(C)(CN)C(N)=O G-7517 [0,1,0,0,0,0|3,0,0]=4 67 B7R0.13 CCC(C)(N)C(=O)O P37187 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.13 CC[C@@](C)(N)C(=O)O Q68927 [0,1,0,0,0,0|1,0,0]=2 69 B7R0.13 CC[C@](C)(N)C(=O)O Q68924 [0,1,0,0,0,0|1,0,0]=2 70 B7R0.13 CNC(C)(C)C(=O)O P39308 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.13 C[C@@](N)(CO)C(=O)O Q68933 [0,1,0,0,0,0|0,0,0]=1 72 B7R0.13 C[C@](N)(CO)C(=O)O Q68930 [0,1,0,0,0,0|0,0,0]=1 73 B7R0.13 NCC(F)(F)C(=O)O H-8196 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.14 CC(C)(C)C(N)CO P38365 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.14 CC(C)(C)[C@@H](N)CO H-8828 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.14 CC(C)(C)[C@H](N)CO P42613 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.15 CCC(NC)C(=O)O P42253 [0,1,0,0,0,0|1,0,0]=2 78 B7R0.15 NC[C@@H](CO)C(=O)O Q69031 [0,1,0,0,0,0|0,0,0]=1 79 B7R0.15 NC[C@@H](CO)C(=O)O Q69034 [0,1,0,0,0,0|0,0,0]=1 80 B7R0.15 NC[C@H](CO)C(=O)O Q69035 [0,1,0,0,0,0|0,0,0]=1 81 B7R0.15 NC[C@H](CO)C(=O)O Q69038 [0,1,0,0,0,0|0,0,0]=1 82 B7R0.16 CC(C(=O)O)N(C)C P40714 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.16 CC(C)[C@@H](O)C(=O)O P40530 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O P39382 [0,1,0,0,0,0|0,0,0]=1 85 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Q70089 [0,1,0,0,0,0|0,0,0]=1 86 B7R1.4 CC1CCNC1=O O30375 [0,0,0,1,0,0|3,0,0]=4 87 B7R1.4 C[C@@H]1CCNC1=O Q61716 [0,0,0,1,0,0|3,0,0]=4 88 B7R1.4 C[C@@H]1COC[C@H]1N F-4262 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.4 C[C@H]1CCNC1=O Q61658 [0,0,0,1,0,0|3,0,0]=4 90 B7R1.4 C[C@H]1COC[C@@H]1N L13875 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.4 NC1CCCC1O F-4442 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.4 NC1CCNC1=O F-4440 [0,0,0,1,0,0|2,0,0]=3 93 B7R1.4 NN1CCCC1=O P51102 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4443 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4445 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.4 N[C@@H]1CCC[C@H]1O F-4450 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.4 N[C@@H]1CCC[C@H]1O I-9382 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.4 N[C@@H]1CCNC1=O F-4458 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.4 N[C@@H]1COC[C@@H]1N G-7625 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.4 N[C@@H]1COC[C@@H]1N L14037 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.4 N[C@@H]1COC[C@H]1N G-7624 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.4 N[C@@H]1COC[C@H]1O H-8080 [0,0,0,1,0,0|1,0,1]=3 103 B7R1.4 N[C@H]1CCC[C@@H]1O F-4444 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.4 N[C@H]1CCC[C@@H]1O F-4447 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.4 N[C@H]1CCC[C@@H]1O F-4448 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.4 N[C@H]1CCC[C@H]1O F-4446 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.4 N[C@H]1CCC[C@H]1O F-4449 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.4 N[C@H]1CCC[C@H]1O Q52258 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.4 N[C@H]1CCNC1=O F-4459 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.4 N[C@H]1CCNC1=O L14236 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.4 N[C@H]1COC[C@@H]1N G-6892 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.4 N[C@H]1COC[C@@H]1N G-7623 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.4 N[C@H]1COC[C@@H]1O F-4615 [0,0,0,1,0,0|1,0,1]=3 114 B7R1.4 N[C@H]1COC[C@@H]1O H-8081 [0,0,0,1,0,0|1,0,1]=3 115 B7R1.4 N[C@H]1COC[C@H]1O L22268 [0,0,0,1,0,0|1,0,1]=3 116 B7R1.4 N[C@H]1COC[C@H]1O P45710 [0,0,0,1,0,0|1,0,1]=3 117 B7R1.4 O=C1CCCC1O Q61720 [0,0,0,1,0,0|3,0,0]=4 118 B7R1.4 O=C1NCCC1Br O31241 [0,0,0,1,0,0|3,0,0]=4 119 B7R1.4 O=C1NCCC1F Q62170 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.4 O=C1NCCC1O D-2532 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.4 O=C1NCC[C@@H]1F Q63592 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.4 O=C1NCC[C@@H]1O F-4184 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.4 O=C1NCC[C@H]1F Q63593 [0,0,0,1,0,0|3,0,0]=4 124 B7R1.4 O=C1NCC[C@H]1O O30124 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.4 O[C@H]1COC[C@H]1O G-7040 [0,0,0,1,0,0|2,0,1]=4 126 B7R1.8 CC1OCC1CO Q56093 [0,0,0,1,0,0|2,0,1]=4 127 B7R1.8 NCC1CNC1=O P46897 [0,0,0,1,0,0|3,0,0]=4 128 B7R1.8 O=C1CCC1CO L18510 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.8 OCC1CCC1O P50851 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.8 OC[C@@H]1CC[C@H]1O P50820 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.8 OC[C@H]1CC[C@H]1O P48230 [0,0,0,1,0,0|2,0,1]=4 132 B7R1.12 CC1CC1C(=O)Cl O31612 [0,0,0,1,0,0|3,0,0]=4 133 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [0,0,0,1,0,0|2,0,0]=3 134 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [0,0,0,1,0,0|2,0,0]=3 135 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.12 O=C(O)C1CC1F Q52394 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F K10809 [0,0,0,1,0,0|2,0,0]=3 138 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33126 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33327 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.12 O=C(O)[C@H]1C[C@@H]1F O33229 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.12 O=C(O)[C@H]1C[C@H]1F K10802 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10677 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10678 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.17 CC1(C)OCC1N Q52791 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.18 CC(=O)C1CCC1 Q54751 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.18 CC(=O)C1CNC1 P44065 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.18 CC(=O)C1CNC1 P48871 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.18 CC(=O)C1CNC1 P48872 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.18 CC(=O)C1COC1 Q56096 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.18 CC(O)C1COC1 P47968 [0,0,0,1,0,0|2,0,1]=4 151 B7R1.18 C[C@@H](O)C1COC1 Q53307 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.18 C[C@H](O)C1COC1 Q53308 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.18 NC(=O)C1CCC1 O34470 [0,0,0,1,0,0|3,0,0]=4 154 B7R1.18 NC(=O)C1CCN1 O28301 [0,0,0,1,0,0|2,0,0]=3 155 B7R1.18 NC(=O)C1CNC1 C-2241 [0,0,0,1,0,0|3,0,0]=4 156 B7R1.18 NC(=O)C1CNC1 L21539 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.18 O=C(O)C1CCN1 B-1112 [0,0,0,1,0,0|1,0,0]=2 158 B7R1.18 O=C(O)C1CCO1 D-2702 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.18 O=C(O)C1CNC1 A-422 [0,0,0,1,0,0|2,0,0]=3 160 B7R1.18 O=C(O)C1CNC1 P42961 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.18 O=C(O)C1COC1 A-970 [0,0,0,1,0,0|1,0,0]=2 162 B7R1.18 O=C(O)C1CSC1 H-8019 [0,0,0,1,0,0|1,1,0]=3 163 B7R1.18 O=C(O)[C@@H]1CCN1 B-1110 [0,0,0,1,0,0|1,0,0]=2 164 B7R1.18 O=C(O)[C@@H]1CCN1 P46195 [0,0,0,1,0,0|1,0,0]=2 165 B7R1.18 O=C(O)[C@@H]1CCO1 Q62698 [0,0,0,1,0,0|2,0,0]=3 166 B7R1.18 O=C(O)[C@H]1CCN1 B-1109 [0,0,0,1,0,0|1,0,0]=2 167 B7R1.18 O=C(O)[C@H]1CCN1 P45364 [0,0,0,1,0,0|1,0,0]=2 168 B7R1.18 O=C(O)[C@H]1CCO1 Q62699 [0,0,0,1,0,0|2,0,0]=3 169 B7R1.18 O=[N+]([O-])C1COC1 L14619 [0,0,0,1,0,0|2,0,1]=4 170 B7R1.19 CC1(C(=O)Cl)CC1 L13117 [0,0,0,1,0,0|3,0,0]=4 171 B7R1.19 CC1(C(=O)O)CC1 G-6948 [0,0,0,1,0,0|2,0,0]=3 172 B7R1.19 CC1(C(N)=O)CC1 O34284 [0,0,0,1,0,0|3,0,0]=4 173 B7R1.19 NC(=O)C1(N)CC1 L22305 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.19 NC(=O)C1(N)CC1 P41484 [0,0,0,1,0,0|2,0,0]=3 175 B7R1.19 NC1(C(=O)O)CC1 G-5950 [0,0,0,1,0,0|1,0,0]=2 176 B7R1.19 O=C(O)C1(Br)CC1 O34313 [0,0,0,1,0,0|2,0,0]=3 177 B7R1.19 O=C(O)C1(F)CC1 O33313 [0,0,0,1,0,0|2,0,0]=3 178 B7R1.19 O=C(O)C1(O)CC1 I-9870 [0,0,0,1,0,0|2,0,0]=3 179 B7R1.22 NC(CO)C1CC1 P36106 [0,0,0,1,0,0|2,0,1]=4 180 B7R1.22 N[C@@H](CO)C1CC1 P41862 [0,0,0,1,0,0|2,0,1]=4 181 B7R1.22 N[C@H](CO)C1CC1 P42349 [0,0,0,1,0,0|2,0,1]=4 182 B7R0.2 CCC(=O)CC(=O)O P43007 [0,0,0,0,0,1|2,0,1]=4 183 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [0,0,0,0,0,1|1,0,0]=2 184 B7R0.2 CC[C@H](N)CC(=O)O M23203 [0,0,0,0,0,1|1,0,0]=2 185 B7R0.2 NCC(O)CC(=O)O P35068 [0,0,0,0,0,1|2,0,0]=3 186 B7R0.2 N[C@@H](CO)CC(=O)O Q68983 [0,0,0,0,0,1|0,0,0]=1 187 B7R0.2 N[C@@H](CO)CC(=O)O Q68986 [0,0,0,0,0,1|0,0,0]=1 188 B7R0.2 N[C@H](CO)CC(=O)O Q68987 [0,0,0,0,0,1|0,0,0]=1 189 B7R0.2 N[C@H](CO)CC(=O)O Q68989 [0,0,0,0,0,1|0,0,0]=1 190 B4R0.1 C#CC(C)N P51445 [2,0,0,0,0,0|1,0,1]=4 191 B4R0.1 C#C[C@@H](C)N Q52993 [2,0,0,0,0,0|1,0,1]=4 192 B4R0.1 C=C(C)CN P39039 [2,0,0,0,0,0|2,0,0]=4 193 B4R0.1 CC(=O)CN P45193 [2,0,0,0,0,0|1,0,0]=3 194 B4R0.1 CC(Br)CO O34000 [2,0,0,0,0,0|1,0,1]=4 195 B4R0.1 CC(C)NO O30196 [2,0,0,0,0,0|2,0,0]=4 196 B4R0.1 CC(N)CS L19436 [2,0,0,0,0,0|0,1,1]=4 197 B4R0.1 C[C@@H](Cl)CO 10058 [2,0,0,0,0,0|1,0,1]=4 198 B4R0.2 C=CCCN L22153 [2,0,0,0,0,0|2,0,0]=4 199 B4R0.2 COCC=O F-4461 [2,0,0,0,0,0|2,0,0]=4 200 B6R0.1 CCNC(=O)CO O31312 [1,1,0,0,0,0|2,0,0]=4 201 B6R0.1 CNC(=O)CCCl P38167 [1,1,0,0,0,0|2,0,0]=4 202 B6R0.1 CNC(=O)CCN P37692 [1,1,0,0,0,0|2,0,0]=4 203 B6R0.2 CC(O)CC(=O)O P38963 [1,1,0,0,0,0|0,0,0]=2 204 B6R0.2 C[C@@H](N)CC(=O)O P38442 [1,1,0,0,0,0|1,0,0]=3 205 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [1,1,0,0,0,0|1,0,0]=3 206 B6R0.2 C[C@@H](O)CC(=O)O P36990 [1,1,0,0,0,0|0,0,0]=2 207 B6R0.2 C[C@H](N)CC(=O)O P38443 [1,1,0,0,0,0|1,0,0]=3 208 B6R0.2 C[C@H](O)CC(=O)O P37046 [1,1,0,0,0,0|0,0,0]=2 209 B6R0.4 CCNCC(=O)O P37534 [1,1,0,0,0,0|1,0,0]=3 210 B6R0.4 CCNCC(N)=O P36580 [1,1,0,0,0,0|2,0,0]=4 211 B6R0.4 CNCCC(=O)O P36779 [1,1,0,0,0,0|1,0,0]=3 212 B6R0.4 CNCCC(=O)O P39205 [1,1,0,0,0,0|1,0,0]=3 213 B6R0.4 CNCCC(N)=O P37896 [1,1,0,0,0,0|2,0,0]=4 214 B6R0.4 O=C(O)\C=C\CBr P41388 [1,1,0,0,0,0|1,0,1]=4 215 B6R0.4 O=CNCC(=O)O P39379 [1,1,0,0,0,0|0,0,2]=4 216 B6R0.4 [N-]=[N+]=NCC(=O)O P40297 [1,1,0,0,0,0|2,0,0]=4 217 B6R0.8 CC(F)(CO)CO Q69405 [1,1,0,0,0,0|1,0,1]=4 218 B6R0.8 OCC(F)(F)CO O32548 [1,1,0,0,0,0|1,0,1]=4 219 B6R0.9 NCC(CO)CO F-4437 [1,1,0,0,0,0|0,0,1]=3 220 B6R0.9 OCC(CO)CO F-4239 [1,1,0,0,0,0|1,0,1]=4 221 B6R0.7 CC(C)(N)C(N)=O P40473 [1,1,0,0,0,0|1,0,0]=3 222 B6R0.7 O=C(O)C(F)(F)F H-8200 [1,1,0,0,0,0|2,0,0]=4 223 B6R0.7 O=C(O)C(F)(F)F O33159 [1,1,0,0,0,0|2,0,0]=4 224 B6R0.7 O=C(O)C(F)(F)F O33161 [1,1,0,0,0,0|2,0,0]=4 225 B6R0.7 O=C(O)C(F)(F)F P48132 [1,1,0,0,0,0|2,0,0]=4 226 B6R0.7 O=C(O)C(F)(F)F P49801 [1,1,0,0,0,0|2,0,0]=4 227 B6R0.7 O=C(O)C(F)(F)F P50106 [1,1,0,0,0,0|2,0,0]=4 228 B6R0.7 O=C(O)C(F)(F)F P50453 [1,1,0,0,0,0|2,0,0]=4 229 B6R0.7 O=C(O)C(F)(F)F Q57096 [1,1,0,0,0,0|2,0,0]=4 230 B6R0.7 O=C(O)C(F)(F)F Q66175 [1,1,0,0,0,0|2,0,0]=4 231 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O O28696 [0,1,0,0,0,1|2,0,0]=4 232 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O O28455 [0,1,0,0,0,1|2,0,0]=4 233 B8R0.5 C=CC[C@@H](N)CC(=O)O Q69101 [0,1,0,0,0,1|1,0,0]=3 234 B8R0.5 COCC(O)CC(=O)O F-4460 [0,1,0,0,0,1|1,0,0]=3 235 B8R0.23 CC(C)C(N)CC(=O)O M22680 [0,1,0,0,0,1|1,0,0]=3 236 B8R0.23 CC(C)[C@@H](N)CC(=O)O P38250 [0,1,0,0,0,1|1,0,0]=3 237 B8R0.23 CC(C)[C@@H](N)CC(=O)O Q68993 [0,1,0,0,0,1|1,0,0]=3 238 B8R0.23 CC(C)[C@H](N)CC(=O)O P36212 [0,1,0,0,0,1|1,0,0]=3 239 B8R0.23 CC(C)[C@H](N)CC(=O)O Q68999 [0,1,0,0,0,1|1,0,0]=3 240 B8R0.23 C[C@@H](CC(=O)O)C(=O)O P39685 [0,1,0,0,0,1|1,0,1]=4 241 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68990 [0,1,0,0,0,1|0,0,0]=2 242 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68992 [0,1,0,0,0,1|0,0,0]=2 243 B8R0.3 C#CC[C@@H](N)C(=O)OC Q65834 [0,2,0,0,0,0|1,0,0]=3 244 B8R0.3 C#CC[C@H](N)C(=O)OC P40730 [0,2,0,0,0,0|1,0,0]=3 245 B8R0.3 C=C(CO)C(=O)OCC F-4649 [0,2,0,0,0,0|1,0,1]=4 246 B8R0.3 CCCC(N)C(=O)OC P43113 [0,2,0,0,0,0|1,0,0]=3 247 B8R0.3 CCOC(=O)C(C)CN P40244 [0,2,0,0,0,0|2,0,0]=4 248 B8R0.3 CCOC(=O)C(N)CC P37453 [0,2,0,0,0,0|1,0,0]=3 249 B8R0.3 CCOC(=O)C(O)CC P37661 [0,2,0,0,0,0|2,0,0]=4 250 B8R0.3 CCOC(=O)[C@@H](N)CC P35145 [0,2,0,0,0,0|1,0,0]=3 251 B8R0.3 CCOC(=O)[C@@H](N)CN P41065 [0,2,0,0,0,0|1,0,0]=3 252 B8R0.3 CCOC(=O)[C@H](N)CC P41834 [0,2,0,0,0,0|1,0,0]=3 253 B8R0.8 C#CCCC(N)C(=O)O P39732 [0,2,0,0,0,0|1,0,0]=3 254 B8R0.8 C#CCOC(C)C(=O)O O29907 [0,2,0,0,0,0|2,0,0]=4 255 B8R0.8 C=CCCC(N)C(=O)O P40793 [0,2,0,0,0,0|1,0,0]=3 256 B8R0.8 C=CCCC(N)C(N)=O Q65911 [0,2,0,0,0,0|2,0,0]=4 257 B8R0.8 C=CCC[C@@H](N)C(=O)O P42941 [0,2,0,0,0,0|1,0,0]=3 258 B8R0.8 C=CCC[C@H](N)C(=O)O P35206 [0,2,0,0,0,0|1,0,0]=3 259 B8R0.8 CC#CC[C@@H](N)C(=O)O Q65835 [0,2,0,0,0,0|1,0,0]=3 260 B8R0.8 CC#CC[C@H](N)C(=O)O Q65833 [0,2,0,0,0,0|1,0,0]=3 261 B8R0.8 C[Se]CC[C@H](N)C(=O)O P38844 [0,2,0,0,0,0|0,1,0]=3 262 B8R0.8 N[C@H](CCCO)C(=O)O P37057 [0,2,0,0,0,0|0,0,0]=2 263 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O M22741 [0,2,0,0,0,0|1,0,0]=3 264 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O P40814 [0,2,0,0,0,0|1,0,0]=3 265 B8R0.12 COCC(F)(F)C(=O)O F-4245 [0,2,0,0,0,0|1,0,0]=3 266 B8R0.15 C=CCC(CC)C(=O)O Q69583 [0,2,0,0,0,0|2,0,0]=4 267 B8R0.15 CCC[C@@H](NC)C(=O)O P36548 [0,2,0,0,0,0|1,0,0]=3 268 B8R0.15 CCC[C@H](NC)C(=O)O P40204 [0,2,0,0,0,0|1,0,0]=3 269 B8R0.36 CC(CF)(CF)C(=O)O M15767 [0,2,0,0,0,0|2,0,0]=4 270 B8R0.36 CCC(N)(CC)C(=O)O P39311 [0,2,0,0,0,0|1,0,0]=3 271 B8R0.37 CC(C)C(C)(O)C(=O)O Q69152 [0,2,0,0,0,0|2,0,0]=4 272 B8R0.37 CC(C)[C@@](C)(N)C(=O)O Q68939 [0,2,0,0,0,0|1,0,0]=3 273 B8R0.37 CC(C)[C@](C)(N)C(=O)O Q68936 [0,2,0,0,0,0|1,0,0]=3 274 B8R0.27 CC(C)(C)C(O)C(=O)O M23224 [0,2,0,0,0,0|2,0,0]=4 275 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O P39602 [0,2,0,0,0,0|2,0,0]=4 276 B8R0.27 CC(C)(C)[C@H](O)C(=O)O P39705 [0,2,0,0,0,0|2,0,0]=4 277 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O Q68942 [0,2,0,0,0,0|0,0,0]=2 278 B8R0.27 CC(C)(O)[C@H](N)C(=O)O Q68916 [0,2,0,0,0,0|0,0,0]=2 279 B8R0.27 CC(C)(S)C(N)C(=O)O Q68947 [0,2,0,0,0,0|0,1,0]=3 280 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O I-9879 [0,2,0,0,0,0|0,1,0]=3 281 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Q68945 [0,2,0,0,0,0|0,1,0]=3 282 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Q68949 [0,2,0,0,0,0|0,1,0]=3 283 B8R0.27 NC(C(=O)O)C(F)(F)F P44707 [0,2,0,0,0,0|1,0,0]=3 284 B8R0.18 CC(C)[C@@H](CN)C(=O)O Q69066 [0,2,0,0,0,0|1,0,0]=3 285 B8R0.18 CC(C)[C@@H](CN)C(=O)O Q69069 [0,2,0,0,0,0|1,0,0]=3 286 B8R0.18 CC(C)[C@H](CN)C(=O)O Q69070 [0,2,0,0,0,0|1,0,0]=3 287 B8R0.18 CC(C)[C@H](CN)C(=O)O Q69073 [0,2,0,0,0,0|1,0,0]=3 288 B8R0.18 CNC(C(=O)O)C(C)C P39309 [0,2,0,0,0,0|1,0,0]=3 289 B8R0.18 CN[C@H](C(=O)O)C(C)C P40211 [0,2,0,0,0,0|1,0,0]=3 290 B6R1.2 IC1=COCC1 Q53484 [1,0,0,1,0,0|2,0,0]=4 291 B6R1.2 O=C1CCNC1 C-2247 [1,0,0,1,0,0|2,0,0]=4 292 B6R1.2 O=C1CCNC1 S72535 [1,0,0,1,0,0|2,0,0]=4 293 B6R1.2 O=C1CCOC1 B-1767 [1,0,0,1,0,0|1,0,0]=3 294 B6R1.2 O=C1CCSC1 G-7753 [1,0,0,1,0,0|1,1,0]=4 295 B6R1.2 OC1CCOC1 C-3328 [1,0,0,1,0,0|1,0,1]=4 296 B6R1.2 O[C@@H]1CCOC1 G-5347 [1,0,0,1,0,0|1,0,1]=4 297 B6R1.2 O[C@H]1CCOC1 G-6766 [1,0,0,1,0,0|1,0,1]=4 298 B6R1.5 C=C1CC(O)C1 P45320 [1,0,0,1,0,0|2,0,0]=4 299 B6R1.5 CC1CC(=O)C1 L18001 [1,0,0,1,0,0|2,0,0]=4 300 B6R1.5 NC1CC(=O)C1 C-3677 [1,0,0,1,0,0|2,0,0]=4 301 B6R1.5 NC1CC(=O)C1 P44186 [1,0,0,1,0,0|2,0,0]=4 302 B6R1.5 O=C1CC(Br)C1 G-6311 [1,0,0,1,0,0|2,0,0]=4 303 B6R1.5 O=C1CC(F)C1 H-8760 [1,0,0,1,0,0|2,0,0]=4 304 B6R1.5 O=C1CC(O)C1 F-4733 [1,0,0,1,0,0|1,0,0]=3 305 B6R1.5 OC1CC(O)C1 P45378 [1,0,0,1,0,0|1,0,1]=4 306 B6R1.5 O[C@H]1C[C@@H](O)C1 P48796 [1,0,0,1,0,0|1,0,1]=4 307 B6R1.5 O[C@H]1C[C@H](O)C1 P48795 [1,0,0,1,0,0|1,0,1]=4 308 B6R1.4 CC1CCC1=O P47956 [1,0,0,1,0,0|2,0,0]=4 309 B6R1.4 CC1OCC1N Q56170 [1,0,0,1,0,0|1,0,1]=4 310 B6R1.4 NC1CCC1O P45290 [1,0,0,1,0,0|1,0,1]=4 311 B6R1.4 NC1CCC1O P48134 [1,0,0,1,0,0|1,0,1]=4 312 B6R1.4 NN1CCC1=O P48248 [1,0,0,1,0,0|2,0,0]=4 313 B6R1.4 N[C@@H]1CC[C@@H]1O P43811 [1,0,0,1,0,0|1,0,1]=4 314 B6R1.4 N[C@@H]1CC[C@@H]1O P45279 [1,0,0,1,0,0|1,0,1]=4 315 B6R1.4 N[C@@H]1CC[C@@H]1O P45323 [1,0,0,1,0,0|1,0,1]=4 316 B6R1.4 N[C@@H]1CC[C@H]1O P45283 [1,0,0,1,0,0|1,0,1]=4 317 B6R1.4 N[C@@H]1CC[C@H]1O P46699 [1,0,0,1,0,0|1,0,1]=4 318 B6R1.4 N[C@@H]1CC[C@H]1O P46700 [1,0,0,1,0,0|1,0,1]=4 319 B6R1.4 N[C@@H]1CC[C@H]1O P47798 [1,0,0,1,0,0|1,0,1]=4 320 B6R1.4 N[C@@H]1CNC1=O P44692 [1,0,0,1,0,0|1,0,0]=3 321 B6R1.4 N[C@@H]1CNC1=O P50494 [1,0,0,1,0,0|1,0,0]=3 322 B6R1.4 N[C@H]1CC[C@@H]1O O33030 [1,0,0,1,0,0|1,0,1]=4 323 B6R1.4 N[C@H]1CC[C@@H]1O P46969 [1,0,0,1,0,0|1,0,1]=4 324 B6R1.4 N[C@H]1CC[C@H]1O P45237 [1,0,0,1,0,0|1,0,1]=4 325 B6R1.4 N[C@H]1CC[C@H]1O P46397 [1,0,0,1,0,0|1,0,1]=4 326 B6R1.4 N[C@H]1CNC1=O P44185 [1,0,0,1,0,0|1,0,0]=3 327 B6R1.4 N[C@H]1CNC1=O Q52584 [1,0,0,1,0,0|1,0,0]=3 328 B6R1.4 O=C1CCC1Br P49445 [1,0,0,1,0,0|2,0,0]=4 329 B6R1.4 O=C1CCC1O P47312 [1,0,0,1,0,0|2,0,0]=4 330 B6R1.4 O=C1NCC1O P45440 [1,0,0,1,0,0|2,0,0]=4 331 B6R1.6 O=CC1COC1 L21547 [1,0,0,1,0,0|1,0,0]=3 332 B6R1.6 OCC1CCN1 G-7151 [1,0,0,1,0,0|1,0,1]=4 333 B6R1.6 OCC1COC1 C-2291 [1,0,0,1,0,0|1,0,1]=4 334 B6R1.6 OC[C@@H]1CCN1 B-1106 [1,0,0,1,0,0|1,0,1]=4 335 B6R1.6 OC[C@@H]1CCN1 P36030 [1,0,0,1,0,0|1,0,1]=4 336 B6R1.6 OC[C@H]1CCN1 B-1105 [1,0,0,1,0,0|1,0,1]=4 337 B6R1.6 OC[C@H]1CCN1 P35007 [1,0,0,1,0,0|1,0,1]=4 338 B6R1.7 C[C@@]1(CO)CO1 Q55273 [1,0,0,1,0,0|1,0,1]=4 339 B6R1.7 NC1(CO)CC1 G-6370 [1,0,0,1,0,0|1,0,1]=4 340 B6R1.7 NC1(CO)CC1 I-9535 [1,0,0,1,0,0|1,0,1]=4 341 B8R1.1 NCC1COC(=O)N1 L13942 [0,0,0,1,0,1|2,0,0]=4 342 B8R1.1 O=C1CC(CO)CN1 M22864 [0,0,0,1,0,1|2,0,0]=4 343 B8R1.1 O=C1CC(CO)CO1 H-8701 [0,0,0,1,0,1|1,0,0]=3 344 B8R1.1 O=C1CCC(CO)C1 Q62791 [0,0,0,1,0,1|2,0,0]=4 345 B8R1.1 O=C1CCC(CO)N1 M23573 [0,0,0,1,0,1|2,0,0]=4 346 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [0,0,0,1,0,1|2,0,0]=4 347 B8R1.1 O=C1CC[C@@H](CO)O1 K12361 [0,0,0,1,0,1|2,0,0]=4 348 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [0,0,0,1,0,1|2,0,0]=4 349 B8R1.1 O=C1NCC(CO)O1 F-4693 [0,0,0,1,0,1|2,0,0]=4 350 B8R1.1 O=C1NC[C@@H](CO)O1 L13350 [0,0,0,1,0,1|2,0,0]=4 351 B8R1.1 O=C1N[C@@H](CI)CO1 10034 [0,0,0,1,0,1|2,0,0]=4 352 B8R1.1 O=C1N[C@@H](CO)CO1 10001 [0,0,0,1,0,1|1,0,0]=3 353 B8R1.1 O=C1N[C@@H](CO)CS1 K13391 [0,0,0,1,0,1|1,1,0]=4 354 B8R1.1 O=C1N[C@H](CO)CO1 10026 [0,0,0,1,0,1|1,0,0]=3 355 B8R1.1 O=C1N[C@H](CO)CS1 K13390 [0,0,0,1,0,1|1,1,0]=4 356 B8R1.1 OCC1CC(O)CN1 Q59342 [0,0,0,1,0,1|1,0,1]=4 357 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 H-8224 [0,0,0,1,0,1|1,0,1]=4 358 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 L13519 [0,0,0,1,0,1|1,0,1]=4 359 B8R1.1 OC[C@@H]1C[C@H](O)CN1 P48680 [0,0,0,1,0,1|1,0,1]=4 360 B8R1.1 OC[C@H]1C[C@H](O)CN1 Q61647 [0,0,0,1,0,1|1,0,1]=4 361 B8R1.4 NC1=CC(=O)COC1 O33523 [0,0,0,1,0,1|1,0,1]=4 362 B8R1.4 NC1CCCC(=O)C1 P48005 [0,0,0,1,0,1|2,0,0]=4 363 B8R1.4 NC1CCNC(=O)C1 C-2485 [0,0,0,1,0,1|2,0,0]=4 364 B8R1.4 NC1COCC(=O)C1 P46448 [0,0,0,1,0,1|1,0,0]=3 365 B8R1.4 NC1COCC(=O)C1 Q61511 [0,0,0,1,0,1|1,0,0]=3 366 B8R1.4 NC1COCC(O)C1 O33183 [0,0,0,1,0,1|1,0,1]=4 367 B8R1.4 NC1COCC(O)C1 Q61082 [0,0,0,1,0,1|1,0,1]=4 368 B8R1.4 N[C@@H]1COC[C@@H](O)C1 Q54626 [0,0,0,1,0,1|1,0,1]=4 369 B8R1.4 N[C@@H]1COC[C@H](O)C1 Q54624 [0,0,0,1,0,1|1,0,1]=4 370 B8R1.4 N[C@@H]1COC[C@H](O)C1 Q54625 [0,0,0,1,0,1|1,0,1]=4 371 B8R1.4 N[C@H]1COC[C@@H](O)C1 Q54628 [0,0,0,1,0,1|1,0,1]=4 372 B8R1.4 N[C@H]1COC[C@H](O)C1 Q54627 [0,0,0,1,0,1|1,0,1]=4 373 B8R1.4 O=C1COCC(F)C1 Q54617 [0,0,0,1,0,1|2,0,0]=4 374 B8R1.4 O=C1COCC(O)C1 Q54616 [0,0,0,1,0,1|2,0,0]=4 375 B8R1.20 CC1CC1CC(=O)O O29360 [0,0,0,1,0,1|2,0,0]=4 376 B8R1.31 CC1CCC1C(=O)O P45629 [0,0,0,1,0,1|2,0,0]=4 377 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O L14485 [0,0,0,1,0,1|2,0,0]=4 378 B8R1.31 NC(=O)C1CCC1N F-4228 [0,0,0,1,0,1|2,0,0]=4 379 B8R1.31 NC1CCC1C(=O)O P47809 [0,0,0,1,0,1|1,0,0]=3 380 B8R1.31 NC1COC1C(=O)O Q56135 [0,0,0,1,0,1|0,0,0]=2 381 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O P45363 [0,0,0,1,0,1|1,0,0]=3 382 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O L13901 [0,0,0,1,0,1|1,0,0]=3 383 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P44744 [0,0,0,1,0,1|1,0,0]=3 384 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P45102 [0,0,0,1,0,1|1,0,0]=3 385 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O Q52861 [0,0,0,1,0,1|0,0,0]=2 386 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q52863 [0,0,0,1,0,1|0,0,0]=2 387 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q54778 [0,0,0,1,0,1|0,0,0]=2 388 B8R1.31 N[C@H]1CC[C@H]1C(=O)O L21391 [0,0,0,1,0,1|1,0,0]=3 389 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P45103 [0,0,0,1,0,1|1,0,0]=3 390 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Q53487 [0,0,0,1,0,1|1,0,0]=3 391 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O Q52864 [0,0,0,1,0,1|0,0,0]=2 392 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q52862 [0,0,0,1,0,1|0,0,0]=2 393 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q54777 [0,0,0,1,0,1|0,0,0]=2 394 B8R1.31 O=C(O)C1CCC1F P47126 [0,0,0,1,0,1|2,0,0]=4 395 B8R1.31 O=C(O)C1CCC1O P49194 [0,0,0,1,0,1|2,0,0]=4 396 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O P48368 [0,0,0,1,0,1|2,0,0]=4 397 B8R1.34 O=C(O)CC1CCC1 P44572 [0,0,0,1,0,1|2,0,0]=4 398 B8R1.34 O=C(O)CC1CCN1 P44826 [0,0,0,1,0,1|1,0,0]=3 399 B8R1.34 O=C(O)CC1CCO1 F-4762 [0,0,0,1,0,1|2,0,0]=4 400 B8R1.34 O=C(O)CC1CNC1 G-7532 [0,0,0,1,0,1|2,0,0]=4 401 B8R1.34 O=C(O)CC1CNC1 M22650 [0,0,0,1,0,1|2,0,0]=4 402 B8R1.34 O=C(O)CC1CNC1 P46867 [0,0,0,1,0,1|2,0,0]=4 403 B8R1.34 O=C(O)CC1COC1 F-4181 [0,0,0,1,0,1|1,0,0]=3 404 B8R1.34 O=C(O)C[C@@H]1CCO1 Q56144 [0,0,0,1,0,1|2,0,0]=4 405 B8R1.34 O=C(O)C[C@H]1CCO1 Q56143 [0,0,0,1,0,1|2,0,0]=4 406 B8R1.43 NCC1CC1C(=O)O Q52566 [0,0,0,1,0,1|2,0,0]=4 407 B8R1.62 CC1(CO)CC(=O)C1 G-7478 [0,0,0,1,0,1|2,0,0]=4 408 B8R1.5 CC1COCCC1=O F-4697 [0,1,0,1,0,0|2,0,0]=4 409 B8R1.5 NC1CCCCC1=O P45934 [0,1,0,1,0,0|2,0,0]=4 410 B8R1.5 N[C@@H]1CCCNC1=O O34375 [0,1,0,1,0,0|2,0,0]=4 411 B8R1.5 N[C@@H]1CCOC[C@@H]1O G-6344 [0,1,0,1,0,0|1,0,1]=4 412 B8R1.5 N[C@@H]1CCOC[C@@H]1O G-7927 [0,1,0,1,0,0|1,0,1]=4 413 B8R1.5 N[C@@H]1CCOC[C@@H]1O L13461 [0,1,0,1,0,0|1,0,1]=4 414 B8R1.5 N[C@@H]1CCOC[C@@H]1O Q65031 [0,1,0,1,0,0|1,0,1]=4 415 B8R1.5 N[C@@H]1CCOC[C@H]1O I-9206 [0,1,0,1,0,0|1,0,1]=4 416 B8R1.5 N[C@@H]1COCC[C@@H]1O L14613 [0,1,0,1,0,0|1,0,1]=4 417 B8R1.5 N[C@@H]1COCC[C@@H]1O Q65030 [0,1,0,1,0,0|1,0,1]=4 418 B8R1.5 N[C@@H]1COCC[C@H]1O G-7504 [0,1,0,1,0,0|1,0,1]=4 419 B8R1.5 N[C@@H]1COCC[C@H]1O L13647 [0,1,0,1,0,0|1,0,1]=4 420 B8R1.5 N[C@H]1CCCNC1=O O34462 [0,1,0,1,0,0|2,0,0]=4 421 B8R1.5 N[C@H]1CCOC[C@@H]1O G-7267 [0,1,0,1,0,0|1,0,1]=4 422 B8R1.5 N[C@H]1CCOC[C@@H]1O I-9259 [0,1,0,1,0,0|1,0,1]=4 423 B8R1.5 N[C@H]1CCOC[C@@H]1O Q65027 [0,1,0,1,0,0|1,0,1]=4 424 B8R1.5 N[C@H]1CCOC[C@H]1O L18331 [0,1,0,1,0,0|1,0,1]=4 425 B8R1.5 N[C@H]1CCOC[C@H]1O Q65032 [0,1,0,1,0,0|1,0,1]=4 426 B8R1.5 N[C@H]1COCC[C@@H]1O G-5997 [0,1,0,1,0,0|1,0,1]=4 427 B8R1.5 N[C@H]1COCC[C@@H]1O Q56271 [0,1,0,1,0,0|1,0,1]=4 428 B8R1.5 N[C@H]1COCC[C@H]1O Q65029 [0,1,0,1,0,0|1,0,1]=4 429 B8R1.5 O=C1CCOCC1Br C-3416 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.5 O=C1CCOCC1F G-7272 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.5 O=C1CCOC[C@H]1F Q52309 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.5 O=C1COCCC1Br Q54651 [0,1,0,1,0,0|2,0,0]=4 433 B8R1.5 O=C1OCCCC1Br L20669 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.5 [C@@H]1(O)COCC[C@H]1N Q65028 [0,1,0,1,0,0|1,0,1]=4 435 B8R1.7 CC(=O)C1CCCN1 P37169 [0,1,0,1,0,0|2,0,0]=4 436 B8R1.7 CC(=O)C1CCCN1 Q61985 [0,1,0,1,0,0|2,0,0]=4 437 B8R1.7 CC(=O)C1CCNC1 O31491 [0,1,0,1,0,0|2,0,0]=4 438 B8R1.7 CC(=O)C1NCCS1 M15825 [0,1,0,1,0,0|2,0,0]=4 439 B8R1.7 CC(=O)[C@@H]1CCCN1 Q61986 [0,1,0,1,0,0|2,0,0]=4 440 B8R1.7 CC(=O)[C@@H]1CCCN1 Q62844 [0,1,0,1,0,0|2,0,0]=4 441 B8R1.7 CC(=O)[C@H]1CCCN1 Q62845 [0,1,0,1,0,0|2,0,0]=4 442 B8R1.7 NC(=O)C1CCCN1 P39079 [0,1,0,1,0,0|2,0,0]=4 443 B8R1.7 NC(=O)C1CCCN1 P42514 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.7 NC(=O)C1CCNC1 G-5260 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.7 NC(=O)C1CCOC1 G-6625 [0,1,0,1,0,0|2,0,0]=4 446 B8R1.7 NC(=O)[C@@H]1CCCN1 I-9393 [0,1,0,1,0,0|2,0,0]=4 447 B8R1.7 NC(=O)[C@@H]1CCCN1 P45231 [0,1,0,1,0,0|2,0,0]=4 448 B8R1.7 NC(=O)[C@@H]1CCNC1 G-5262 [0,1,0,1,0,0|2,0,0]=4 449 B8R1.7 NC(=O)[C@@H]1CCNC1 G-7539 [0,1,0,1,0,0|2,0,0]=4 450 B8R1.7 NC(=O)[C@H]1CCNC1 G-5261 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.7 NC(=O)[C@H]1CCNC1 Q51836 [0,1,0,1,0,0|2,0,0]=4 452 B8R1.7 O=C(O)C1=COCC1 C-2964 [0,1,0,1,0,0|1,0,1]=4 453 B8R1.7 O=C(O)C1CC=CC1 G-6381 [0,1,0,1,0,0|2,0,0]=4 454 B8R1.7 O=C(O)C1CCNC1 G-5249 [0,1,0,1,0,0|1,0,0]=3 455 B8R1.7 O=C(O)C1CCOC1 C-3386 [0,1,0,1,0,0|1,0,0]=3 456 B8R1.7 O=C(O)C1SCCS1 L19481 [0,1,0,1,0,0|2,0,0]=4 457 B8R1.7 O=C(O)[C@@H]1C=CCN1 P39990 [0,1,0,1,0,0|1,0,1]=4 458 B8R1.7 O=C(O)[C@@H]1CCCN1 L13796 [0,1,0,1,0,0|1,0,0]=3 459 B8R1.7 O=C(O)[C@@H]1CCNC1 L18435 [0,1,0,1,0,0|1,0,0]=3 460 B8R1.7 O=C(O)[C@@H]1CCNC1 Q51834 [0,1,0,1,0,0|1,0,0]=3 461 B8R1.7 O=C(O)[C@@H]1CCOC1 C-2786 [0,1,0,1,0,0|1,0,0]=3 462 B8R1.7 O=C(O)[C@H]1C=CCN1 M22943 [0,1,0,1,0,0|1,0,1]=4 463 B8R1.7 O=C(O)[C@H]1CCNC1 G-5250 [0,1,0,1,0,0|1,0,0]=3 464 B8R1.7 O=C(O)[C@H]1CCNC1 P45277 [0,1,0,1,0,0|1,0,0]=3 465 B8R1.7 O=C(O)[C@H]1CCOC1 C-2785 [0,1,0,1,0,0|1,0,0]=3 466 B8R1.23 C=C1CC(C(=O)O)C1 D-2502 [0,1,0,1,0,0|2,0,0]=4 467 B8R1.23 CC(=O)C1CC(O)C1 H-8191 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.23 CC1CC(C(=O)O)C1 L14063 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.23 CN1CC(C(=O)O)C1 C-2243 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 G-6829 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 G-6830 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.23 NC1CC(C(=O)O)C1 G-7780 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.23 NC1CC(C(=O)O)C1 P47808 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277 [0,1,0,1,0,0|2,0,0]=4 475 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277-1 [0,1,0,1,0,0|2,0,0]=4 476 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 C-2278 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P44571 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.23 O=C(O)C1CC(Cl)C1 F-4598 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.23 O=C(O)C1CC(F)C1 D-2564 [0,1,0,1,0,0|2,0,0]=4 480 B8R1.23 O=C(O)C1CC(O)C1 A-876 [0,1,0,1,0,0|1,0,0]=3 481 B8R1.23 O=C(O)C1CC(O)C1 F-4100 [0,1,0,1,0,0|1,0,0]=3 482 B8R1.23 O=C(O)C1CC(O)C1 F-4101 [0,1,0,1,0,0|1,0,0]=3 483 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 L21925 [0,1,0,1,0,0|2,0,0]=4 484 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 L14175 [0,1,0,1,0,0|2,0,0]=4 485 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 L21353 [0,1,0,1,0,0|2,0,0]=4 486 B8R1.23 O=C1CC(C(=O)O)C1 D-2503 [0,1,0,1,0,0|1,0,1]=4 487 B8R1.23 O=C1CC(C(=O)O)N1 P34768 [0,1,0,1,0,0|0,0,1]=3 488 B8R1.23 O=C1CC(C(=O)O)O1 P44894 [0,1,0,1,0,0|1,0,1]=4 489 B8R1.23 O=C1C[C@@H](C(=O)O)N1 I-9933 [0,1,0,1,0,0|0,0,1]=3 490 B8R1.23 O=C1C[C@H](C(=O)O)N1 I-9634 [0,1,0,1,0,0|0,0,1]=3 491 B8R1.24 CC1(C)C(=O)CC1O P48188 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.54 NC(=O)C(N)C1CC1 L20769 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.54 NC(C(=O)O)C1CC1 O27895 [0,1,0,1,0,0|1,0,0]=3 494 B8R1.54 N[C@@H](C(=O)O)C1CC1 G-5951 [0,1,0,1,0,0|1,0,0]=3 495 B8R1.54 N[C@H](C(=O)O)C1CC1 O28968 [0,1,0,1,0,0|1,0,0]=3 496 B8R1.78 CC(=O)C1(C)COC1 C-2927 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.78 CC1(C(=O)O)CCC1 G-6550 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.78 CC1(C(=O)O)CCN1 P50169 [0,1,0,1,0,0|1,0,0]=3 499 B8R1.78 CC1(C(=O)O)CCO1 Q56227 [0,1,0,1,0,0|1,0,0]=3 500 B8R1.78 CC1(C(=O)O)CNC1 L18025 [0,1,0,1,0,0|2,0,0]=4 501 B8R1.78 CC1(C(=O)O)CNC1 O28316 [0,1,0,1,0,0|2,0,0]=4 502 B8R1.78 CC1(C(=O)O)COC1 C-2391 [0,1,0,1,0,0|1,0,0]=3 503 B8R1.78 NC(=O)C1(N)CCC1 L20709 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.78 NC(=O)C1(N)CCC1 P44318 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.78 NC(=O)C1(N)CNC1 P48442 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.78 NC1(C(=O)F)CCC1 P46353 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.78 NC1(C(=O)O)CCC1 G-7616 [0,1,0,1,0,0|1,0,0]=3 508 B8R1.78 NC1(C(=O)O)CCC1 L13534 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.78 NC1(C(=O)O)CNC1 C-3611 [0,1,0,1,0,0|1,0,0]=3 510 B8R1.78 NC1(C(=O)O)COC1 C-3395 [0,1,0,1,0,0|0,0,0]=2 511 B8R1.78 NC1(C(=O)O)CSC1 Q56475 [0,1,0,1,0,0|0,1,0]=3 512 B8R1.78 NC1(C(=O)O)CSC1 Q56476 [0,1,0,1,0,0|0,1,0]=3 513 B8R1.78 O=C(O)C1(Br)CCC1 Q56884 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.78 O=C(O)C1(F)CCC1 P46428 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.78 O=C(O)C1(F)CNC1 G-7923 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.78 O=C(O)C1(O)CCC1 L14796 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.78 O=C(O)C1(O)CNC1 L18244 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.78 O=C(O)C1(O)COC1 L21345 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.78 O=C(O)C1(S)CCC1 P47778 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.11 CNC1CCNC1=O L20781 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.11 N#CC1COCC1=O L22433 [0,1,0,1,0,0|1,0,1]=4 522 B8R1.11 NC[C@@H]1COC[C@@H]1O I-9678 [0,1,0,1,0,0|1,0,1]=4 523 B8R1.11 NC[C@H]1COC[C@@H]1O I-9779 [0,1,0,1,0,0|1,0,1]=4 524 B8R1.11 O=C1NCCC1CO L13115 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.11 OC[C@H]1NCC[C@@H]1O S72491 [0,1,0,1,0,0|1,0,1]=4 526 B8R1.38 CCC(=O)C1COC1 Q56142 [0,1,0,1,0,0|2,0,0]=4 527 B8R1.38 COC(=O)C1C=CC1 P47818 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.38 COC(=O)C1CCC1 P45206 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.38 COC(=O)C1CCN1 F-4237 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.38 COC(=O)C1CNC1 A-420 [0,1,0,1,0,0|2,0,0]=4 531 B8R1.38 COC(=O)C1CNC1 F-4426 [0,1,0,1,0,0|2,0,0]=4 532 B8R1.38 COC(=O)C1COC1 L13768 [0,1,0,1,0,0|1,0,0]=3 533 B8R1.38 COC(=O)[C@@H]1CCN1 G-7134 [0,1,0,1,0,0|1,0,0]=3 534 B8R1.38 COC(=O)[C@H]1CCN1 G-7965 [0,1,0,1,0,0|1,0,0]=3 535 B8R1.38 O=C(CO)C1CCC1 P45459 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.38 O=C(NO)C1CCC1 P45195 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.39 COC(=O)C1(N)CC1 I-9591 [0,1,0,1,0,0|1,0,0]=3 538 B8R1.39 COC(=O)C1(O)CC1 I-9203 [0,1,0,1,0,0|2,0,0]=4 539 B8R1.50 CN1CC[C@@H](N)C1=O Q62091 [0,1,0,1,0,0|2,0,0]=4 540 B8R1.50 CN1CC[C@@H](N)C1=O Q63628 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.50 CN1CC[C@H](N)C1=O Q62092 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.50 CN1CC[C@H](N)C1=O Q63629 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53540 [0,1,0,1,0,0|1,0,0]=3 544 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53541 [0,1,0,1,0,0|1,0,0]=3 545 B8R1.58 CC1(CO)COC1=O Q62787 [0,1,0,1,0,0|1,0,0]=3 546 B8R1.63 C#CC1(C(=O)O)CC1 O32680 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.63 CCC1(C(=O)O)CC1 L14120 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.63 CNC1(C(=O)O)CC1 P34743 [0,1,0,1,0,0|1,0,0]=3 549 B8R1.63 N#CC1(C(=O)O)CC1 P36579 [0,1,0,1,0,0|1,0,1]=4 550 B8R1.63 NCC1(C(=O)O)CC1 P41310 [0,1,0,1,0,0|1,0,0]=3 551 B8R1.63 O=C(O)C1(CF)CC1 O32393 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.63 O=C(O)C1(CO)CC1 O33574 [0,1,0,1,0,0|1,0,0]=3 553 B8R1.77 O=C(O)C1CC1(F)Cl P44593 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.77 O=C(O)C1CC1(F)F L14556 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.77 O=C(O)[C@@H]1CC1(F)F L14727 [0,1,0,1,0,0|2,0,0]=4 556 B8R2.66 O=C(O)C12CC1C2 H-8592 [0,0,0,2,0,0|2,0,0]=4 557 B8R0.9 C=CC(N)CCC(=O)O M15322 [0,0,0,0,0,2|1,0,1]=4 558 B8R0.9 CCC(C)OCC(=O)O P34749 [0,0,0,0,0,2|2,0,0]=4