0 B8R0.23 C=C(C)CC(N)C(=O)O P39089 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.23 C=C(C)C[C@@H](N)C(=O)O O28738 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.23 C=C(C)C[C@H](N)C(=O)O O28733 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.23 CC(C)C(N)CN(C)C P36129 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.23 CC(C)C[C@@H](O)C(=O)O P39959 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.23 CC(C)[C@@H](N)CN(C)C P37903 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.23 CC(C)[C@H](N)CN(C)C P35834 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.23 CC(C)\C=C(/F)C(=O)O F-4311 [0,0,0,0,0,0|1,0,2]=3 8 B8R0.23 CN(C)C[C@H](N)C(=O)O P43074 [0,0,0,0,0,0|1,0,0]=1 9 B8R0.23 C[C@@H](CC(=O)O)C(=O)O P39685 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.2 C=CC(=O)CC(C)C L19279 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.2 CC[C@H](N)CN(C)C Q66181 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.5 C#CCC(N)C(=O)O P37796 [1,0,0,0,0,0|0,0,2]=3 13 B7R0.5 C#CC[C@@H](N)C(=O)O P39505 [1,0,0,0,0,0|0,0,2]=3 14 B7R0.5 C#CC[C@H](N)C(=O)O P39506 [1,0,0,0,0,0|0,0,2]=3 15 B7R0.5 C=CC[C@@H](N)C(=O)O P37509 [1,0,0,0,0,0|0,0,2]=3 16 B7R0.5 C=CC[C@H](N)C(=O)O O28653 [1,0,0,0,0,0|0,0,2]=3 17 B7R0.5 C=CC[C@H](N)C(=O)O P40769 [1,0,0,0,0,0|0,0,2]=3 18 B7R0.5 CCC[C@H](O)C(=O)O P51274 [1,0,0,0,0,0|1,0,0]=2 19 B7R0.5 CCNC(C)C(=O)O P36832 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.5 CCN[C@@H](C)C(=O)O P36816 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.5 CCN[C@H](C)C(=O)O P35138 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.5 CCOC(=O)C(=O)O P37044 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.5 COC[C@@H](N)C(=O)O P35719 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.5 COC[C@H](N)C(=O)O P38808 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.5 N[C@@H](CCBr)C(=O)O P41033 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.5 N[C@@H](CCS)C(=O)O A-694 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.6 CC(=O)OCC(C)O P36972 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.6 CC(C)=CCC(=O)O P43260 [1,0,0,0,0,0|0,0,2]=3 29 B7R0.6 CC(C)OCC(=O)O P38749 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.6 O=C(O)CCC(F)F S72753 [1,0,0,0,0,0|2,0,0]=3 31 B9R0.10 CC(C)CC(O)S(=O)(=O)[O-] L20542 [0,1,0,0,0,0|2,0,1]=4 32 B9R0.11 CC(C)CC(C)(N)C(=O)O P41237 [0,1,0,0,0,0|0,0,0]=1 33 B9R0.11 CC(C)C[C@](C)(N)C(=O)O Q66110 [0,1,0,0,0,0|0,0,0]=1 34 B9R0.11 CN(C)CC(C)(C)C(=O)O P41833 [0,1,0,0,0,0|2,0,0]=3 35 B9R0.23 COC(=O)[C@H](N)CC(C)C P37232 [0,1,0,0,0,0|0,0,0]=1 36 B9R0.23 COC(=O)[C@H](O)CC(C)C P42599 [0,1,0,0,0,0|1,0,0]=2 37 B9R0.39 CC(C)CC(CN)C(=O)O P43094 [0,1,0,0,0,0|0,0,0]=1 38 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Q69039 [0,1,0,0,0,0|0,0,0]=1 39 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Q69042 [0,1,0,0,0,0|0,0,0]=1 40 B9R0.39 CC(C)C[C@H](CN)C(=O)O Q69043 [0,1,0,0,0,0|0,0,0]=1 41 B9R0.39 CC(C)C[C@H](CN)C(=O)O Q69046 [0,1,0,0,0,0|0,0,0]=1 42 B9R0.39 CC(C)\C=C(/C#N)C(=O)O K12223 [0,1,0,0,0,0|0,0,3]=4 43 B9R0.39 CN[C@@H](CC(C)C)C(=O)O P36732 [0,1,0,0,0,0|0,0,0]=1 44 B9R0.39 CN[C@H](CC(C)C)C(=O)O F-4647 [0,1,0,0,0,0|0,0,0]=1 45 B9R0.42 COC(=O)C[C@@H](C)C(=O)O Q69087 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.42 COC(=O)C[C@H](C)C(=O)O Q69083 [0,1,0,0,0,0|2,0,1]=4 47 B9R0.57 CC(C)(C)CC(N)C(=O)O P42786 [0,1,0,0,0,0|0,0,0]=1 48 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O P35494 [0,1,0,0,0,0|0,0,0]=1 49 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O P37339 [0,1,0,0,0,0|0,0,0]=1 50 B9R0.57 CC(NC(C)(C)C)C(=O)O L19939 [0,1,0,0,0,0|2,0,0]=3 51 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O Q68917 [0,1,0,0,0,0|0,0,0]=1 52 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O Q68920 [0,1,0,0,0,0|0,0,0]=1 53 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O Q68921 [0,1,0,0,0,0|0,0,0]=1 54 B9R1.35 CN1CCC(C(=O)O)C1 O28273 [0,0,0,1,0,0|2,0,0]=3 55 B9R1.35 CN1CCC(C(=O)O)C1 O30600 [0,0,0,1,0,0|2,0,0]=3 56 B9R1.35 CN1CC[C@@H](C(=O)O)C1 G-6130 [0,0,0,1,0,0|2,0,0]=3 57 B9R1.35 CN1CC[C@@H](C(=O)O)C1 G-6130-01 [0,0,0,1,0,0|2,0,0]=3 58 B9R1.35 CN1CC[C@H](C(=O)O)C1 G-6129 [0,0,0,1,0,0|2,0,0]=3 59 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 O32949 [0,0,0,1,0,0|2,0,0]=3 60 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 Q53020 [0,0,0,1,0,0|2,0,0]=3 61 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Q53019 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Q52436 [0,0,0,1,0,0|2,0,0]=3 63 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Q52437 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 O32956 [0,0,0,1,0,0|2,0,0]=3 65 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 Q52337 [0,0,0,1,0,0|0,0,0]=1 66 B9R1.35 NC1CCC(C(=O)O)C1 G-7403 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 10009 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 F-4734 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 L21283 [0,0,0,1,0,0|2,0,0]=3 70 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 P39234 [0,0,0,1,0,0|1,0,0]=2 71 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 P40794 [0,0,0,1,0,0|1,0,0]=2 72 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 10164 [0,0,0,1,0,0|2,0,0]=3 73 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 P44640 [0,0,0,1,0,0|2,0,0]=3 74 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 L21252 [0,0,0,1,0,0|2,0,0]=3 75 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 Q52275 [0,0,0,1,0,0|2,0,0]=3 76 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 A-335 [0,0,0,1,0,0|1,0,0]=2 77 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 Q61690 [0,0,0,1,0,0|1,0,0]=2 78 B9R1.35 O=C(O)C1CCC(F)C1 Q54410 [0,0,0,1,0,0|2,0,0]=3 79 B9R1.35 O=C(O)C1C[C@H](O)CN1 A-345 [0,0,0,1,0,0|1,0,0]=2 80 B9R1.35 O=C(O)[C@@H]1CC[C@@H](F)C1 Q61734 [0,0,0,1,0,0|2,0,0]=3 81 B9R1.35 O=C(O)[C@@H]1CC[C@@H](F)C1 Q63412 [0,0,0,1,0,0|2,0,0]=3 82 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 Q63408 [0,0,0,1,0,0|2,0,0]=3 83 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 Q61733 [0,0,0,1,0,0|2,0,0]=3 84 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 Q63414 [0,0,0,1,0,0|2,0,0]=3 85 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 Q63410 [0,0,0,1,0,0|2,0,0]=3 86 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 A-341 [0,0,0,1,0,0|1,0,0]=2 87 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 G-6984 [0,0,0,1,0,0|1,0,0]=2 88 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 A-344 [0,0,0,1,0,0|1,0,0]=2 89 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 L21815 [0,0,0,1,0,0|1,0,0]=2 90 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 O30697 [0,0,0,1,0,0|1,0,0]=2 91 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 L22413 [0,0,0,1,0,0|1,0,0]=2 92 B9R1.35 O=C(O)[C@H]1CC[C@@H](F)C1 Q63413 [0,0,0,1,0,0|2,0,0]=3 93 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 Q63409 [0,0,0,1,0,0|2,0,0]=3 94 B9R1.35 O=C(O)[C@H]1CC[C@H](F)C1 Q63411 [0,0,0,1,0,0|2,0,0]=3 95 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 Q63407 [0,0,0,1,0,0|2,0,0]=3 96 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 H-8063 [0,0,0,1,0,0|1,0,0]=2 97 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 H-8063-01 [0,0,0,1,0,0|1,0,0]=2 98 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 L13532 [0,0,0,1,0,0|1,0,0]=2 99 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 G-7739 [0,0,0,1,0,0|1,0,0]=2 100 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 P41300 [0,0,0,1,0,0|1,0,0]=2 101 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 P44659 [0,0,0,1,0,0|1,0,0]=2 102 B9R1.35 O=C1CCC(C(=O)O)C1 G-6041 [0,0,0,1,0,0|2,0,1]=4 103 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 L13054 [0,0,0,1,0,0|2,0,1]=4 104 B9R1.35 O=C1CC[C@H](C(=O)O)C1 L13053 [0,0,0,1,0,0|2,0,1]=4 105 B9R1.35 O=C1CNC(C(=O)O)C1 L14145 [0,0,0,1,0,0|1,0,1]=3 106 B9R1.36 CC1(C)CC(O)C(O)C1 Q61732 [0,0,0,1,0,0|2,0,1]=4 107 B9R1.36 CC1CC(C)(C)CC1=O Q61089 [0,0,0,1,0,0|2,0,0]=3 108 B9R1.55 CC(C)C1OC(C)C1N Q55960 [0,0,0,1,0,0|1,0,1]=3 109 B9R1.69 CC1CCC(=O)C(C)C1 Q59598 [0,0,0,1,0,0|2,0,0]=3 110 B9R1.69 CC1CN(C)CCC1=O Q65019 [0,0,0,1,0,0|3,0,0]=4 111 B9R1.69 C[C@@H]1CN(C)CCC1=O Q65018 [0,0,0,1,0,0|3,0,0]=4 112 B9R1.69 C[C@@H]1CNC(=O)[C@@H](C)N1 P49014 [0,0,0,1,0,0|3,0,0]=4 113 B9R1.69 C[C@H]1CN(C)CCC1=O Q65017 [0,0,0,1,0,0|3,0,0]=4 114 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P49725 [0,0,0,1,0,0|3,0,0]=4 115 B9R1.112 C\C(=C/C1CC1)C(=O)O O29378 [0,0,0,1,0,0|1,0,2]=4 116 B9R1.112 NC(=O)C(N)CC1CC1 P50523 [0,0,0,1,0,0|1,0,0]=2 117 B9R1.112 NC(CC1CC1)C(=O)O O28074 [0,0,0,1,0,0|0,0,0]=1 118 B9R1.112 N[C@@H](CC1CC1)C(=O)O O28950 [0,0,0,1,0,0|0,0,0]=1 119 B9R1.112 N[C@H](CC1CC1)C(=O)O O28870 [0,0,0,1,0,0|0,0,0]=1 120 B9R1.112 O=C(O)[C@@H](O)CC1CC1 P38965 [0,0,0,1,0,0|1,0,0]=2 121 B9R1.112 O=C(O)[C@H](O)CC1CC1 P40522 [0,0,0,1,0,0|1,0,0]=2 122 B9R1.152 C=C1CC(C)(C(=O)O)C1 L18189 [0,0,0,1,0,0|1,0,2]=4 123 B9R1.152 C=C1CC(N)(C(=O)O)C1 P45998 [0,0,0,1,0,0|0,0,2]=3 124 B9R1.152 C=C1CC(O)(C(=O)O)C1 Q53353 [0,0,0,1,0,0|1,0,2]=4 125 B9R1.152 CC1(C(=O)O)CC(=O)C1 G-7323 [0,0,0,1,0,0|2,0,1]=4 126 B9R1.152 CC1(C(=O)O)CC(N)C1 P46878 [0,0,0,1,0,0|2,0,0]=3 127 B9R1.152 CC1CC(C)(C(=O)O)C1 P45152 [0,0,0,1,0,0|1,0,0]=2 128 B9R1.152 CC1CC(N)(C(=O)O)C1 P47365 [0,0,0,1,0,0|0,0,0]=1 129 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 I-9804 [0,0,0,1,0,0|2,0,0]=3 130 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 P43910 [0,0,0,1,0,0|2,0,0]=3 131 B9R1.152 C[C@]1(C(=O)O)C[C@H](N)C1 G-5884 [0,0,0,1,0,0|2,0,0]=3 132 B9R1.152 C[C@]1(C(=O)O)C[C@H](N)C1 P48427 [0,0,0,1,0,0|2,0,0]=3 133 B9R1.152 NC1(C(=O)O)CC(F)C1 L21448 [0,0,0,1,0,0|1,0,0]=2 134 B9R1.152 NC1(C(=O)O)CC(O)C1 L21397 [0,0,0,1,0,0|1,0,0]=2 135 B9R1.152 NC1CC(F)(C(=O)O)C1 P48244 [0,0,0,1,0,0|2,0,0]=3 136 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 P45945 [0,0,0,1,0,0|1,0,0]=2 137 B9R1.152 N[C@]1(C(=O)O)C[C@@H](O)C1 P46053 [0,0,0,1,0,0|1,0,0]=2 138 B9R1.152 N[C@]1(C(=O)O)C[C@H](F)C1 P44861 [0,0,0,1,0,0|1,0,0]=2 139 B9R1.152 N[C@]1(C(=O)O)C[C@H](O)C1 P46625 [0,0,0,1,0,0|1,0,0]=2 140 B9R1.152 O=C(O)C1(F)CC(F)C1 P46337 [0,0,0,1,0,0|2,0,0]=3 141 B9R1.152 O=C(O)C1(F)CC(O)C1 P46092 [0,0,0,1,0,0|2,0,0]=3 142 B9R1.152 O=C(O)[C@]1(F)C[C@@H](O)C1 P50591 [0,0,0,1,0,0|2,0,0]=3 143 B9R1.152 O=C(O)[C@]1(F)C[C@H](O)C1 P50586 [0,0,0,1,0,0|2,0,0]=3 144 B9R1.152 O=C(O)[C@]1(O)C[C@@H](O)C1 P50588 [0,0,0,1,0,0|2,0,0]=3 145 B9R1.152 O=C(O)[C@]1(O)C[C@H](O)C1 P50592 [0,0,0,1,0,0|2,0,0]=3 146 B9R1.152 O=C1CC(F)(C(=O)O)C1 P46018 [0,0,0,1,0,0|2,0,1]=4 147 B9R1.164 CC1(C)C=C(C(=O)O)C1 G-5685 [0,0,0,1,0,0|1,0,1]=3 148 B9R1.164 CC1(C)CC(B(O)O)C1 P46537 [0,0,0,1,0,0|2,0,1]=4 149 B9R1.164 CC1(C)CC(C(=O)O)C1 G-7355 [0,0,0,1,0,0|1,0,0]=2 150 B9R1.164 CC1(F)CC(C(=O)O)C1 L13213 [0,0,0,1,0,0|2,0,0]=3 151 B9R1.164 CC1(O)CC(C(=O)O)C1 L13034 [0,0,0,1,0,0|2,0,0]=3 152 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 L18045 [0,0,0,1,0,0|2,0,0]=3 153 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 L21324 [0,0,0,1,0,0|2,0,0]=3 154 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 I-9401 [0,0,0,1,0,0|2,0,0]=3 155 B9R1.164 C[C@]1(O)C[C@H](C(=O)O)C1 G-6555 [0,0,0,1,0,0|2,0,0]=3 156 B9R1.164 C[C@]1(O)C[C@H](C(=O)[O-])C1 P50099 [0,0,0,1,0,0|2,0,1]=4 157 B9R1.164 O=C(O)C1CC(F)(F)C1 C-2311 [0,0,0,1,0,0|3,0,0]=4 158 B9R1.169 CC1(C(=O)O)CC1(F)F L14745 [0,0,0,1,0,0|3,0,0]=4 159 B7R0.16 CC(C(=O)O)N(C)C P40714 [0,0,0,0,1,0|2,0,0]=3 160 B7R0.16 CC(C)[C@@H](O)C(=O)O P40530 [0,0,0,0,1,0|1,0,0]=2 161 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O P39382 [0,0,0,0,1,0|1,0,0]=2 162 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Q70089 [0,0,0,0,1,0|1,0,0]=2 163 B9R0.7 CC(C)=CCC(N)C(=O)O O28923 [0,0,0,0,0,1|0,0,1]=2 164 B9R0.7 CC(C)=CC[C@@H](N)C(=O)O O28478 [0,0,0,0,0,1|0,0,1]=2 165 B9R0.7 CC(C)=CC[C@H](N)C(=O)O O28749 [0,0,0,0,0,1|0,0,1]=2 166 B9R0.7 CC(C)CC[C@@H](N)C(=O)O P41429 [0,0,0,0,0,1|0,0,0]=1 167 B9R0.7 CC(C)CC[C@H](N)C(=O)O M22613 [0,0,0,0,0,1|0,0,0]=1 168 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O O28917 [0,0,0,0,0,1|2,0,0]=3 169 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Q68973 [0,0,0,0,0,1|0,0,0]=1 170 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Q68975 [0,0,0,0,0,1|0,0,0]=1 171 B9R0.53 CC(C)C[C@H](N)CC(=O)O P39532 [0,0,0,0,0,1|0,0,0]=1 172 B9R0.53 CC(C)C[C@H](N)CC(=O)O Q68972 [0,0,0,0,0,1|0,0,0]=1 173 B9R0.53 NC(CC(=O)O)CC(=O)O Q68959 [0,0,0,0,0,1|2,0,1]=4 174 B9R0.53 NC(CC(=O)O)CC(=O)O Q68962 [0,0,0,0,0,1|2,0,1]=4 175 B6R0.1 CCC[C@@H](N)CO P35977 [2,0,0,0,0,0|0,0,1]=3 176 B6R0.1 CCC[C@H](N)CO P39535 [2,0,0,0,0,0|0,0,1]=3 177 B6R0.2 CC(C)C[C@@H](C)O Q70085 [2,0,0,0,0,0|1,0,0]=3 178 B6R0.2 CC(N)CN(C)C P42731 [2,0,0,0,0,0|1,0,1]=4 179 B6R0.2 CN(C)CC(N)=O P36935 [2,0,0,0,0,0|1,0,1]=4 180 B6R0.2 C[C@@H](N)CN(C)C P38236 [2,0,0,0,0,0|1,0,1]=4 181 B6R0.2 C[C@H](N)CN(C)C P35926 [2,0,0,0,0,0|1,0,1]=4 182 B6R0.4 CC(C)CCON L20789 [2,0,0,0,0,0|2,0,0]=4 183 B6R0.4 CCNCC(=O)O P37534 [2,0,0,0,0,0|1,0,0]=3 184 B6R0.4 CCNCC(N)=O P36580 [2,0,0,0,0,0|2,0,0]=4 185 B6R0.4 CNCCC(=O)O P36779 [2,0,0,0,0,0|1,0,0]=3 186 B6R0.4 CNCCC(=O)O P39205 [2,0,0,0,0,0|1,0,0]=3 187 B6R0.4 CNCCC(N)=O P37896 [2,0,0,0,0,0|2,0,0]=4 188 B6R0.3 CCC(N)C(C)O L20519 [2,0,0,0,0,0|1,0,1]=4 189 B6R0.3 CCC(N)C(N)=O P35312 [2,0,0,0,0,0|1,0,0]=3 190 B6R0.3 CC[C@@H](Br)C(=O)O P45858 [2,0,0,0,0,0|1,0,0]=3 191 B6R0.3 CC[C@@H](O)C(=O)O P40022 [2,0,0,0,0,0|1,0,0]=3 192 B6R0.3 CC[C@H](Br)C(=O)O P45751 [2,0,0,0,0,0|1,0,0]=3 193 B6R0.3 CC[C@H](O)C(=O)O P38746 [2,0,0,0,0,0|1,0,0]=3 194 B6R0.3 CO[C@@H](C)C(=O)O I-9183 [2,0,0,0,0,0|2,0,0]=4 195 B6R0.3 C[C@@H](CN)C(=O)O Q69056 [2,0,0,0,0,0|2,0,0]=4 196 B6R0.3 C[C@@H](CN)C(=O)O Q69059 [2,0,0,0,0,0|2,0,0]=4 197 B6R0.3 C[C@H](CN)C(=O)O Q69061 [2,0,0,0,0,0|2,0,0]=4 198 B6R0.3 C[C@H](CN)C(=O)O Q69064 [2,0,0,0,0,0|2,0,0]=4 199 B6R0.3 C[C@H](CO)C(=O)O 10021 [2,0,0,0,0,0|2,0,0]=4 200 B6R0.3 NCC(N)C(=O)O P37494 [2,0,0,0,0,0|1,0,0]=3 201 B6R0.3 NCC(O)C(=O)O O28965 [2,0,0,0,0,0|2,0,0]=4 202 B6R0.3 NC[C@@H](O)C(=O)O 10685 [2,0,0,0,0,0|2,0,0]=4 203 B6R0.3 NC[C@H](N)C(=O)O P40075 [2,0,0,0,0,0|1,0,0]=3 204 B8R0.3 C#CC[C@@H](N)C(=O)OC Q65834 [1,1,0,0,0,0|0,0,2]=4 205 B8R0.3 C#CC[C@H](N)C(=O)OC P40730 [1,1,0,0,0,0|0,0,2]=4 206 B8R0.3 CCCC(N)C(=O)OC P43113 [1,1,0,0,0,0|0,0,0]=2 207 B8R0.8 C#CCCC(N)C(=O)O P39732 [1,1,0,0,0,0|0,0,1]=3 208 B8R0.8 C=CCCC(N)C(=O)O P40793 [1,1,0,0,0,0|0,0,1]=3 209 B8R0.8 C=CCCC(N)C(N)=O Q65911 [1,1,0,0,0,0|1,0,1]=4 210 B8R0.8 C=CCC[C@@H](N)C(=O)O P42941 [1,1,0,0,0,0|0,0,1]=3 211 B8R0.8 C=CCC[C@H](N)C(=O)O P35206 [1,1,0,0,0,0|0,0,1]=3 212 B8R0.8 CC#CC[C@@H](N)C(=O)O Q65835 [1,1,0,0,0,0|0,0,1]=3 213 B8R0.8 CC#CC[C@H](N)C(=O)O Q65833 [1,1,0,0,0,0|0,0,1]=3 214 B8R0.8 C[Se]CC[C@H](N)C(=O)O P38844 [1,1,0,0,0,0|0,0,0]=2 215 B8R0.8 N[C@H](CCCO)C(=O)O P37057 [1,1,0,0,0,0|0,0,0]=2 216 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O M22741 [1,1,0,0,0,0|2,0,0]=4 217 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O P40814 [1,1,0,0,0,0|2,0,0]=4 218 B8R0.12 COCC(F)(F)C(=O)O F-4245 [1,1,0,0,0,0|2,0,0]=4 219 B8R0.15 CCC[C@@H](NC)C(=O)O P36548 [1,1,0,0,0,0|0,0,0]=2 220 B8R0.15 CCC[C@H](NC)C(=O)O P40204 [1,1,0,0,0,0|0,0,0]=2 221 B8R0.9 C=CC(N)CCC(=O)O M15322 [1,1,0,0,0,0|1,0,1]=4 222 B8R0.9 CC(C)CNC(=O)CCl P38819 [1,1,0,0,0,0|2,0,0]=4 223 B8R0.9 CCC(C)OCC(=O)O P34749 [1,1,0,0,0,0|1,0,0]=3 224 B8R0.9 NCC(=O)CCC(=O)O P37517 [1,1,0,0,0,0|1,0,1]=4 225 B8R0.29 CC(C)(C)NCC(=O)O P37230 [1,1,0,0,0,0|1,0,0]=3 226 B8R0.29 CC(C)(C)OCC(=O)O P41693 [1,1,0,0,0,0|1,0,0]=3 227 B8R0.18 CC(C)[C@@H](CN)C(=O)O Q69066 [0,1,0,0,1,0|0,0,0]=2 228 B8R0.18 CC(C)[C@@H](CN)C(=O)O Q69069 [0,1,0,0,1,0|0,0,0]=2 229 B8R0.18 CC(C)[C@H](CN)C(=O)O Q69070 [0,1,0,0,1,0|0,0,0]=2 230 B8R0.18 CC(C)[C@H](CN)C(=O)O Q69073 [0,1,0,0,1,0|0,0,0]=2 231 B8R0.18 CNC(C(=O)O)C(C)C P39309 [0,1,0,0,1,0|0,0,0]=2 232 B8R0.18 CN[C@H](C(=O)O)C(C)C P40211 [0,1,0,0,1,0|0,0,0]=2 233 B8R0.27 CC(C)(C)C(O)C(=O)O M23224 [0,1,0,0,1,0|1,0,0]=3 234 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O P39602 [0,1,0,0,1,0|1,0,0]=3 235 B8R0.27 CC(C)(C)[C@H](O)C(=O)O P39705 [0,1,0,0,1,0|1,0,0]=3 236 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O Q68942 [0,1,0,0,1,0|0,0,0]=2 237 B8R0.27 CC(C)(O)[C@H](N)C(=O)O Q68916 [0,1,0,0,1,0|0,0,0]=2 238 B8R0.27 CC(C)(S)C(N)C(=O)O Q68947 [0,1,0,0,1,0|0,0,0]=2 239 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O I-9879 [0,1,0,0,1,0|0,0,0]=2 240 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Q68945 [0,1,0,0,1,0|0,0,0]=2 241 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Q68949 [0,1,0,0,1,0|0,0,0]=2 242 B8R0.27 NC(C(=O)O)C(F)(F)F P44707 [0,1,0,0,1,0|2,0,0]=4 243 B8R0.37 CC(C)C(C)(O)C(=O)O Q69152 [0,1,0,0,1,0|1,0,0]=3 244 B8R0.37 CC(C)[C@@](C)(N)C(=O)O Q68939 [0,1,0,0,1,0|0,0,0]=2 245 B8R0.37 CC(C)[C@](C)(N)C(=O)O Q68936 [0,1,0,0,1,0|0,0,0]=2 246 B8R0.37 CN(C)C(C)(C)C(=O)O P34770 [0,1,0,0,1,0|2,0,0]=4 247 B10R0.92 CC(C)(C)CC[C@@H](N)C(=O)O P41275 [0,1,0,0,0,1|0,0,0]=2 248 B10R0.92 CC(C)(C)CC[C@H](N)C(=O)O P41274 [0,1,0,0,0,1|0,0,0]=2 249 B10R0.92 CC(C)(C)OCC(N)C(=O)O O28718 [0,1,0,0,0,1|0,0,0]=2 250 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O O28056 [0,1,0,0,0,1|2,0,0]=4 251 B10R0.44 COC(=O)C[C@@H](N)CC(C)C Q68971 [0,1,0,0,0,1|0,0,0]=2 252 B10R0.70 CC(C)C[C@@H](CN)CC(=O)O O32856 [0,1,0,0,0,1|0,0,0]=2 253 B10R0.154 CC(C(N)C(=O)O)C(F)(F)F P40849 [0,2,0,0,0,0|2,0,0]=4 254 B10R0.162 CC(C)C[C@@H](C(=O)O)N(C)C P39423 [0,2,0,0,0,0|0,0,0]=2 255 B8R1.1 C[C@@H]1CN[C@H](CO)C1 Q64749 [1,0,0,1,0,0|0,0,1]=3 256 B8R1.1 O=CC1CCC(O)C1 Q56985 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.1 OCC1CC(O)CN1 Q59342 [1,0,0,1,0,0|1,0,1]=4 258 B8R1.1 OC[C@@H]1C[C@@H](F)CN1 Q61815 [1,0,0,1,0,0|1,0,1]=4 259 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 H-8224 [1,0,0,1,0,0|1,0,1]=4 260 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 L13519 [1,0,0,1,0,0|1,0,1]=4 261 B8R1.1 OC[C@@H]1C[C@H](F)CN1 H-8865 [1,0,0,1,0,0|1,0,1]=4 262 B8R1.1 OC[C@@H]1C[C@H](O)CN1 P48680 [1,0,0,1,0,0|1,0,1]=4 263 B8R1.1 OC[C@H]1C[C@@H](F)CN1 Q61817 [1,0,0,1,0,0|1,0,1]=4 264 B8R1.1 OC[C@H]1C[C@H](F)CN1 Q61816 [1,0,0,1,0,0|1,0,1]=4 265 B8R1.1 OC[C@H]1C[C@H](O)CN1 Q61647 [1,0,0,1,0,0|1,0,1]=4 266 B8R1.4 C[C@@H]1CCC[C@@H](N)C1 P49440 [1,0,0,1,0,0|1,0,1]=4 267 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P45362 [1,0,0,1,0,0|1,0,1]=4 268 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P49441 [1,0,0,1,0,0|1,0,1]=4 269 B8R1.4 C[C@H]1CCC[C@@H](N)C1 P45360 [1,0,0,1,0,0|1,0,1]=4 270 B8R1.4 C[C@H]1CCC[C@H](N)C1 P45361 [1,0,0,1,0,0|1,0,1]=4 271 B8R1.4 NC1COCC(Br)C1 Q54615 [1,0,0,1,0,0|1,0,1]=4 272 B8R1.4 NC1COCC(F)C1 Q61513 [1,0,0,1,0,0|1,0,1]=4 273 B8R1.4 NC1COCC(O)C1 O33183 [1,0,0,1,0,0|1,0,1]=4 274 B8R1.4 NC1COCC(O)C1 Q61082 [1,0,0,1,0,0|1,0,1]=4 275 B8R1.4 N[C@@H]1COC[C@@H](N)C1 Q61081 [1,0,0,1,0,0|1,0,1]=4 276 B8R1.4 N[C@@H]1COC[C@@H](O)C1 Q54626 [1,0,0,1,0,0|1,0,1]=4 277 B8R1.4 N[C@@H]1COC[C@H](N)C1 Q61080 [1,0,0,1,0,0|1,0,1]=4 278 B8R1.4 N[C@@H]1COC[C@H](O)C1 Q54624 [1,0,0,1,0,0|1,0,1]=4 279 B8R1.4 N[C@@H]1COC[C@H](O)C1 Q54625 [1,0,0,1,0,0|1,0,1]=4 280 B8R1.4 N[C@H]1COC[C@@H](O)C1 Q54628 [1,0,0,1,0,0|1,0,1]=4 281 B8R1.4 N[C@H]1COC[C@H](O)C1 Q54627 [1,0,0,1,0,0|1,0,1]=4 282 B8R1.18 CN1C[C@H](N)[C@H](O)C1 L22266 [1,0,0,1,0,0|1,0,1]=4 283 B8R1.31 CC(C)C1OCC1N P50149 [1,0,0,1,0,0|0,0,1]=3 284 B8R1.40 N[C@@H](CO)CC1CC1 P42901 [1,0,0,1,0,0|0,0,1]=3 285 B8R1.40 N[C@H](CO)CC1CC1 P42900 [1,0,0,1,0,0|0,0,1]=3 286 B8R1.53 CC1(C)CC(CO)C1 L13723 [1,0,0,1,0,0|1,0,1]=4 287 B8R1.53 CC1(C)CC(CO)N1 P48355 [1,0,0,1,0,0|0,0,1]=3 288 B8R1.53 CC1(C)CC(CO)O1 G-6553 [1,0,0,1,0,0|1,0,1]=4 289 B8R1.62 NC1(CO)CC(F)C1 L13221 [1,0,0,1,0,0|1,0,1]=4 290 B8R1.62 NC1(CO)CC(F)C1 P43942 [1,0,0,1,0,0|1,0,1]=4 291 B8R1.5 CC1CCCNC1=O L13669 [1,0,0,1,0,0|2,0,0]=4 292 B8R1.5 NC1CCCCC1=O P45934 [1,0,0,1,0,0|1,0,0]=3 293 B8R1.5 NN1CCCCC1=O B-1138 [1,0,0,1,0,0|2,0,0]=4 294 B8R1.5 N[C@@H]1CCCC[C@@H]1O P46454 [1,0,0,1,0,0|1,0,1]=4 295 B8R1.5 N[C@@H]1CCCC[C@@H]1O P49846 [1,0,0,1,0,0|1,0,1]=4 296 B8R1.5 N[C@@H]1CCCC[C@H]1O P48754 [1,0,0,1,0,0|1,0,1]=4 297 B8R1.5 N[C@@H]1CCCNC1=O O34375 [1,0,0,1,0,0|1,0,0]=3 298 B8R1.5 N[C@H]1CCCC[C@@H]1O P44501 [1,0,0,1,0,0|1,0,1]=4 299 B8R1.5 N[C@H]1CCCC[C@H]1O P45876 [1,0,0,1,0,0|1,0,1]=4 300 B8R1.5 N[C@H]1CCCC[C@H]1O P46705 [1,0,0,1,0,0|1,0,1]=4 301 B8R1.5 N[C@H]1CCCNC1=O O34462 [1,0,0,1,0,0|1,0,0]=3 302 B8R1.5 O=C1CCCCC1Br L21639 [1,0,0,1,0,0|2,0,0]=4 303 B8R1.5 O=C1CCCCC1F P45307 [1,0,0,1,0,0|2,0,0]=4 304 B8R1.5 O=C1NCCCC1Br L18696 [1,0,0,1,0,0|2,0,0]=4 305 B8R1.5 O=C1NCCC[C@@H]1O P36280 [1,0,0,1,0,0|2,0,0]=4 306 B8R1.5 O=C1NCCC[C@H]1O P39619 [1,0,0,1,0,0|2,0,0]=4 307 B8R1.5 O=C1OCCCC1Br L20669 [1,0,0,1,0,0|1,0,0]=3 308 B8R1.7 CC(=O)C1CCCN1 P37169 [1,0,0,1,0,0|1,0,0]=3 309 B8R1.7 CC(=O)C1CCCN1 Q61985 [1,0,0,1,0,0|1,0,0]=3 310 B8R1.7 CC(=O)C1NCCS1 M15825 [1,0,0,1,0,0|2,0,0]=4 311 B8R1.7 CC(=O)[C@@H]1CCCN1 Q61986 [1,0,0,1,0,0|1,0,0]=3 312 B8R1.7 CC(=O)[C@@H]1CCCN1 Q62844 [1,0,0,1,0,0|1,0,0]=3 313 B8R1.7 CC(=O)[C@H]1CCCN1 Q62845 [1,0,0,1,0,0|1,0,0]=3 314 B8R1.7 NC(=O)C1CCCC1 P38833 [1,0,0,1,0,0|2,0,0]=4 315 B8R1.7 NC(=O)C1CCCN1 P39079 [1,0,0,1,0,0|1,0,0]=3 316 B8R1.7 NC(=O)C1CCCN1 P42514 [1,0,0,1,0,0|1,0,0]=3 317 B8R1.7 NC(=O)[C@@H]1CCCN1 I-9393 [1,0,0,1,0,0|1,0,0]=3 318 B8R1.7 NC(=O)[C@@H]1CCCN1 P45231 [1,0,0,1,0,0|1,0,0]=3 319 B8R1.7 O=C(O)C1CCNC1 G-5249 [1,0,0,1,0,0|2,0,0]=4 320 B8R1.7 O=C(O)C1CCOC1 C-3386 [1,0,0,1,0,0|2,0,0]=4 321 B8R1.7 O=C(O)C1SCCS1 L19481 [1,0,0,1,0,0|2,0,0]=4 322 B8R1.7 O=C(O)[C@@H]1C=CCN1 P39990 [1,0,0,1,0,0|0,0,2]=4 323 B8R1.7 O=C(O)[C@@H]1CCCN1 L13796 [1,0,0,1,0,0|0,0,0]=2 324 B8R1.7 O=C(O)[C@@H]1CCNC1 L18435 [1,0,0,1,0,0|2,0,0]=4 325 B8R1.7 O=C(O)[C@@H]1CCNC1 Q51834 [1,0,0,1,0,0|2,0,0]=4 326 B8R1.7 O=C(O)[C@@H]1CCOC1 C-2786 [1,0,0,1,0,0|2,0,0]=4 327 B8R1.7 O=C(O)[C@H]1C=CCN1 M22943 [1,0,0,1,0,0|0,0,2]=4 328 B8R1.7 O=C(O)[C@H]1CCNC1 G-5250 [1,0,0,1,0,0|2,0,0]=4 329 B8R1.7 O=C(O)[C@H]1CCNC1 P45277 [1,0,0,1,0,0|2,0,0]=4 330 B8R1.7 O=C(O)[C@H]1CCOC1 C-2785 [1,0,0,1,0,0|2,0,0]=4 331 B8R1.23 CC1CC(C(=O)O)C1 L14063 [1,0,0,1,0,0|1,0,0]=3 332 B8R1.23 CN1CC(C(=O)O)C1 C-2243 [1,0,0,1,0,0|2,0,0]=4 333 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 G-6829 [1,0,0,1,0,0|1,0,0]=3 334 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 G-6830 [1,0,0,1,0,0|1,0,0]=3 335 B8R1.23 NC1CC(C(=O)O)C1 G-7780 [1,0,0,1,0,0|2,0,0]=4 336 B8R1.23 NC1CC(C(=O)O)C1 P47808 [1,0,0,1,0,0|2,0,0]=4 337 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277 [1,0,0,1,0,0|2,0,0]=4 338 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277-1 [1,0,0,1,0,0|2,0,0]=4 339 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 C-2278 [1,0,0,1,0,0|2,0,0]=4 340 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P44571 [1,0,0,1,0,0|2,0,0]=4 341 B8R1.23 O=C(O)C1CC(Cl)C1 F-4598 [1,0,0,1,0,0|2,0,0]=4 342 B8R1.23 O=C(O)C1CC(F)C1 D-2564 [1,0,0,1,0,0|2,0,0]=4 343 B8R1.23 O=C(O)C1CC(O)C1 A-876 [1,0,0,1,0,0|2,0,0]=4 344 B8R1.23 O=C(O)C1CC(O)C1 F-4100 [1,0,0,1,0,0|2,0,0]=4 345 B8R1.23 O=C(O)C1CC(O)C1 F-4101 [1,0,0,1,0,0|2,0,0]=4 346 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 L21925 [1,0,0,1,0,0|2,0,0]=4 347 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 L14175 [1,0,0,1,0,0|2,0,0]=4 348 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 L21353 [1,0,0,1,0,0|2,0,0]=4 349 B8R1.23 O=C1CC(C(=O)O)N1 P34768 [1,0,0,1,0,0|1,0,1]=4 350 B8R1.23 O=C1C[C@@H](C(=O)O)N1 I-9933 [1,0,0,1,0,0|1,0,1]=4 351 B8R1.23 O=C1C[C@H](C(=O)O)N1 I-9634 [1,0,0,1,0,0|1,0,1]=4 352 B8R1.54 NC(=O)C(N)C1CC1 L20769 [1,0,0,1,0,0|1,0,0]=3 353 B8R1.54 NC(C(=O)O)C1CC1 O27895 [1,0,0,1,0,0|0,0,0]=2 354 B8R1.54 N[C@@H](C(=O)O)C1CC1 G-5951 [1,0,0,1,0,0|0,0,0]=2 355 B8R1.54 N[C@H](C(=O)O)C1CC1 O28968 [1,0,0,1,0,0|0,0,0]=2 356 B8R1.78 CC1(C(=O)O)CCC1 G-6550 [1,0,0,1,0,0|1,0,0]=3 357 B8R1.78 CC1(C(=O)O)CCN1 P50169 [1,0,0,1,0,0|2,0,0]=4 358 B8R1.78 CC1(C(=O)O)CCO1 Q56227 [1,0,0,1,0,0|2,0,0]=4 359 B8R1.78 CC1(C(=O)O)CNC1 L18025 [1,0,0,1,0,0|2,0,0]=4 360 B8R1.78 CC1(C(=O)O)CNC1 O28316 [1,0,0,1,0,0|2,0,0]=4 361 B8R1.78 CC1(C(=O)O)COC1 C-2391 [1,0,0,1,0,0|2,0,0]=4 362 B8R1.78 NC(=O)C1(Br)CCC1 P45535 [1,0,0,1,0,0|2,0,0]=4 363 B8R1.78 NC(=O)C1(N)CCC1 L20709 [1,0,0,1,0,0|1,0,0]=3 364 B8R1.78 NC(=O)C1(N)CCC1 P44318 [1,0,0,1,0,0|1,0,0]=3 365 B8R1.78 NC(=O)C1(N)CNC1 P48442 [1,0,0,1,0,0|2,0,0]=4 366 B8R1.78 NC(=O)C1(O)CCC1 P49176 [1,0,0,1,0,0|2,0,0]=4 367 B8R1.78 NC1(C(=O)F)CCC1 P46353 [1,0,0,1,0,0|1,0,0]=3 368 B8R1.78 NC1(C(=O)O)CCC1 G-7616 [1,0,0,1,0,0|0,0,0]=2 369 B8R1.78 NC1(C(=O)O)CCC1 L13534 [1,0,0,1,0,0|0,0,0]=2 370 B8R1.78 NC1(C(=O)O)CNC1 C-3611 [1,0,0,1,0,0|1,0,0]=3 371 B8R1.78 NC1(C(=O)O)COC1 C-3395 [1,0,0,1,0,0|1,0,0]=3 372 B8R1.78 NC1(C(=O)O)CSC1 Q56475 [1,0,0,1,0,0|1,0,0]=3 373 B8R1.78 NC1(C(=O)O)CSC1 Q56476 [1,0,0,1,0,0|1,0,0]=3 374 B8R1.78 O=C(O)C1(Br)CCC1 Q56884 [1,0,0,1,0,0|1,0,0]=3 375 B8R1.78 O=C(O)C1(F)CCC1 P46428 [1,0,0,1,0,0|1,0,0]=3 376 B8R1.78 O=C(O)C1(F)CNC1 G-7923 [1,0,0,1,0,0|2,0,0]=4 377 B8R1.78 O=C(O)C1(O)CCC1 L14796 [1,0,0,1,0,0|1,0,0]=3 378 B8R1.78 O=C(O)C1(O)CNC1 L18244 [1,0,0,1,0,0|2,0,0]=4 379 B8R1.78 O=C(O)C1(O)COC1 L21345 [1,0,0,1,0,0|2,0,0]=4 380 B8R1.78 O=C(O)C1(S)CCC1 P47778 [1,0,0,1,0,0|1,0,0]=3 381 B8R1.3 CC1C=CC(=O)CC1 K12331 [1,0,0,1,0,0|1,0,1]=4 382 B8R1.3 CC1CCC(=O)NC1 L13409 [1,0,0,1,0,0|1,0,0]=3 383 B8R1.3 CC1CNC(=O)CN1 P35228 [1,0,0,1,0,0|2,0,0]=4 384 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56751 [1,0,0,1,0,0|2,0,0]=4 385 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56752 [1,0,0,1,0,0|2,0,0]=4 386 B8R1.3 C[C@@H]1CNC(=O)CN1 L14453 [1,0,0,1,0,0|2,0,0]=4 387 B8R1.3 C[C@H]1CCC(=O)CN1 Q56753 [1,0,0,1,0,0|2,0,0]=4 388 B8R1.3 C[C@H]1CCC(=O)CN1 Q56754 [1,0,0,1,0,0|2,0,0]=4 389 B8R1.3 C[C@H]1CNC(=O)CN1 L13879 [1,0,0,1,0,0|2,0,0]=4 390 B8R1.3 NC1CCC(=O)CC1 P36686 [1,0,0,1,0,0|2,0,0]=4 391 B8R1.3 NC1CCC(=O)NC1 C-3401 [1,0,0,1,0,0|2,0,0]=4 392 B8R1.3 N[C@@H]1CCC(=O)NC1 L21492 [1,0,0,1,0,0|2,0,0]=4 393 B8R1.3 N[C@H]1CCC(=O)NC1 L21629 [1,0,0,1,0,0|2,0,0]=4 394 B8R1.3 O=C1CCC(=O)OC1 K12424 [1,0,0,1,0,0|1,0,1]=4 395 B8R1.3 O=C1CCC(Br)CC1 P39565 [1,0,0,1,0,0|2,0,0]=4 396 B8R1.3 O=C1CCC(F)CC1 L21631 [1,0,0,1,0,0|2,0,0]=4 397 B8R1.3 O=C1CCC(F)CN1 Q54421 [1,0,0,1,0,0|2,0,0]=4 398 B8R1.3 O=C1CC[C@H](O)CN1 Q52728 [1,0,0,1,0,0|2,0,0]=4 399 B8R1.35 O=C(O)CCC1CC1 P37405 [1,0,0,1,0,0|0,0,0]=2 400 B8R1.35 O=C(O)\C=C\C1CC1 L14104 [1,0,0,1,0,0|0,0,2]=4 401 B8R1.77 O=C(O)C1CC1(F)Cl P44593 [1,0,0,1,0,0|2,0,0]=4 402 B8R1.77 O=C(O)C1CC1(F)F L14556 [1,0,0,1,0,0|2,0,0]=4 403 B8R1.77 O=C(O)[C@@H]1CC1(F)F L14727 [1,0,0,1,0,0|2,0,0]=4 404 B8R1.50 C[C@@H]1CC[C@@H](O)[C@H]1N Q53610 [0,0,0,1,1,0|1,0,1]=4 405 B8R1.50 C[C@H]1CC[C@H](O)[C@@H]1N Q53609 [0,0,0,1,1,0|1,0,1]=4 406 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53540 [0,0,0,1,1,0|2,0,0]=4 407 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53541 [0,0,0,1,1,0|2,0,0]=4 408 B10R1.13 CC(=O)C1CCC(C)CC1 P46802 [0,0,0,1,0,1|2,0,0]=4 409 B10R1.13 CC1=CC[C@H](C(=O)O)CC1 P49327 [0,0,0,1,0,1|1,0,1]=4 410 B10R1.13 CC1CCC(C(=O)O)CC1 Q65983 [0,0,0,1,0,1|1,0,0]=3 411 B10R1.13 CC1CCC(C(=O)O)NC1 Q61273 [0,0,0,1,0,1|0,0,0]=2 412 B10R1.13 CN1CCC(C(=O)O)CC1 P36469 [0,0,0,1,0,1|2,0,0]=4 413 B10R1.13 C[C@@H]1CC[C@@H](C(=O)O)NC1 Q61275 [0,0,0,1,0,1|0,0,0]=2 414 B10R1.13 C[C@H]1CC[C@@H](C(=O)O)CC1 P44802 [0,0,0,1,0,1|1,0,0]=3 415 B10R1.13 C[C@H]1CC[C@@H](C(=O)O)NC1 Q61274 [0,0,0,1,0,1|0,0,0]=2 416 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 P48880 [0,0,0,1,0,1|1,0,0]=3 417 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 G-6712 [0,0,0,1,0,1|2,0,0]=4 418 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 I-9648 [0,0,0,1,0,1|2,0,0]=4 419 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 P44642 [0,0,0,1,0,1|2,0,0]=4 420 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 Q65361 [0,0,0,1,0,1|2,0,0]=4 421 B10R1.13 O=C(O)C1CCC(Br)CC1 P44914 [0,0,0,1,0,1|2,0,0]=4 422 B10R1.13 O=C(O)C1CCC(F)CC1 L14338 [0,0,0,1,0,1|2,0,0]=4 423 B10R1.13 O=C(O)C1CCC(O)CC1 P44657 [0,0,0,1,0,1|2,0,0]=4 424 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 Q61202 [0,0,0,1,0,1|1,0,0]=3 425 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 Q61203 [0,0,0,1,0,1|1,0,0]=3 426 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 H-8229 [0,0,0,1,0,1|1,0,0]=3 427 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 I-9385 [0,0,0,1,0,1|1,0,0]=3 428 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 L13648 [0,0,0,1,0,1|1,0,0]=3 429 B10R1.13 O=C(O)[C@H]1CC[C@@H](F)CC1 L21280 [0,0,0,1,0,1|2,0,0]=4 430 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 I-9653 [0,0,0,1,0,1|2,0,0]=4 431 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 Q65016 [0,0,0,1,0,1|1,0,0]=3 432 B10R1.13 O=C(O)[C@H]1CC[C@H](F)CC1 L21286 [0,0,0,1,0,1|2,0,0]=4 433 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 F-4662 [0,0,0,1,0,1|2,0,0]=4 434 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CN1 Q52585 [0,0,0,1,0,1|1,0,0]=3 435 B10R1.13 O=C1CCC(C(=O)O)NC1 F-4380 [0,0,0,1,0,1|1,0,1]=4 436 B10R1.13 O=C1CCC(C(=O)O)NC1 M23652 [0,0,0,1,0,1|1,0,1]=4 437 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 Q55039 [0,0,0,1,0,1|1,0,1]=4 438 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 Q55040 [0,0,0,1,0,1|1,0,1]=4 439 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 Q55041 [0,0,0,1,0,1|1,0,1]=4 440 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 Q55042 [0,0,0,1,0,1|1,0,1]=4 441 B10R1.81 NC(C(=O)O)C1CC(F)C1 P50341 [0,0,0,1,0,1|1,0,0]=3 442 B10R1.147 CC1(C)C[C@@H](O)[C@H](N)CO1 Q56780 [0,0,0,1,0,1|1,0,1]=4 443 B10R1.205 CC(OCC1CC1)C(=O)O O29800 [0,0,0,1,0,1|1,0,0]=3 444 B10R1.349 CC(C)C1CC(C(=O)O)C1 P48757 [0,0,0,1,0,1|1,0,0]=3 445 B10R1.349 CC(C)N1CC(C(=O)O)C1 H-8217 [0,0,0,1,0,1|1,0,0]=3 446 B10R1.349 CN(C)C1CC(C(=O)O)C1 L21453 [0,0,0,1,0,1|2,0,0]=4 447 B10R1.349 CN(C)[C@H]1C[C@@H](C(=O)O)C1 P46636 [0,0,0,1,0,1|2,0,0]=4 448 B10R1.349 CN(C)[C@H]1C[C@H](C(=O)O)C1 P46637 [0,0,0,1,0,1|2,0,0]=4 449 B10R1.359 CC1(C)CCC(C(=O)O)C1 Q60842 [0,0,0,1,0,1|1,0,0]=3 450 B10R1.359 CC1(C)CCC(C(=O)O)N1 Q61613 [0,0,0,1,0,1|0,0,0]=2 451 B10R1.359 CC1(C)CCC(C(=O)O)N1 Q61614 [0,0,0,1,0,1|0,0,0]=2 452 B10R1.359 CC1(C)CN[C@@H](C(=O)O)C1 O33472 [0,0,0,1,0,1|1,0,0]=3 453 B10R1.359 CC1(C)CN[C@@H](C(=O)O)C1 Q55538 [0,0,0,1,0,1|1,0,0]=3 454 B10R1.359 CC1(C)CN[C@H](C(=O)O)C1 A-976 [0,0,0,1,0,1|1,0,0]=3 455 B10R1.359 C[C@@]1(O)CN[C@H](C(=O)O)C1 Q62067 [0,0,0,1,0,1|2,0,0]=4 456 B10R1.359 C[C@]1(O)CN[C@H](C(=O)O)C1 Q62068 [0,0,0,1,0,1|2,0,0]=4 457 B10R1.470 CN1CCC(C)(C(=O)O)C1 O30288 [0,0,0,1,0,1|2,0,0]=4 458 B10R1.470 CN1CCC(F)(C(=O)O)C1 Q63434 [0,0,0,1,0,1|2,0,0]=4 459 B10R1.470 C[C@]1(C(=O)O)CC[C@H](N)C1 Q57021 [0,0,0,1,0,1|2,0,0]=4 460 B10R1.54 CC(C)C[C@@H]1COC(=O)N1 Q70109 [0,0,0,1,0,1|1,0,0]=3 461 B10R1.54 CC1CCN(CC(=O)O)C1 Q59408 [0,0,0,1,0,1|2,0,0]=4 462 B10R1.54 CN1CCC(CC(=O)O)C1 O28286 [0,0,0,1,0,1|2,0,0]=4 463 B10R1.54 CN1CCC(CC(=O)O)C1 Q60498 [0,0,0,1,0,1|2,0,0]=4 464 B10R1.54 O=C(O)C[C@@H]1CC[C@@H](O)C1 Q57018 [0,0,0,1,0,1|2,0,0]=4 465 B10R1.54 O=C(O)C[C@@H]1CC[C@H](O)C1 Q57015 [0,0,0,1,0,1|2,0,0]=4 466 B10R1.59 C[C@@H]1C[C@@H](C(=O)O)N(C)C1 L14488 [0,0,0,1,0,1|2,0,0]=4 467 B10R1.59 C[C@H]1C[C@@H](C(=O)O)N(C)C1 L14434 [0,0,0,1,0,1|2,0,0]=4 468 B10R1.59 C[C@H]1C[C@@H](C(=O)O)N(C)C1 Q61617 [0,0,0,1,0,1|2,0,0]=4 469 B10R1.310 CN1CC(C)(C)[C@H]1C(=O)O L13868 [0,0,0,1,0,1|2,0,0]=4 470 B10R1.329 CC1(C)CC(=O)CC(=O)O1 H-8798 [0,0,0,1,0,1|1,0,1]=4 471 B10R1.329 CC1CC(=O)CC(C)(C)C1 P44666 [0,0,0,1,0,1|2,0,0]=4 472 B10R1.371 CC1(C)CC(=CC(=O)O)C1 P46554 [0,0,0,1,0,1|1,0,1]=4 473 B10R1.371 CC1(C)CC(CC(=O)O)C1 P47546 [0,0,0,1,0,1|1,0,0]=3 474 B10R1.371 CC1(C)CN(CC(=O)O)C1 P47057 [0,0,0,1,0,1|2,0,0]=4 475 B10R1.371 CC1(C)CN(CC(=O)O)C1 P47973 [0,0,0,1,0,1|2,0,0]=4 476 B10R1.560 CC1(C)CC(=O)C(C)(C)C1 Q52096 [0,1,0,1,0,0|2,0,0]=4 477 B10R1.566 CC1(C(=O)O)CC(F)(F)C1 G-7324 [0,1,0,1,0,0|2,0,0]=4 478 B10R1.566 CC1(F)CC(C)(C(=O)O)C1 P47268 [0,1,0,1,0,0|1,0,0]=3 479 B10R1.566 C[C@]1(F)C[C@@](N)(C(=O)O)C1 P46457 [0,1,0,1,0,0|0,0,0]=2 480 B10R1.566 C[C@]1(F)C[C@](N)(C(=O)O)C1 P46458 [0,1,0,1,0,0|0,0,0]=2 481 B10R1.566 C[C@]1(O)C[C@@](N)(C(=O)O)C1 P46703 [0,1,0,1,0,0|0,0,0]=2 482 B10R1.566 C[C@]1(O)C[C@](N)(C(=O)O)C1 P46697 [0,1,0,1,0,0|0,0,0]=2 483 B10R1.566 NC1(C(=O)O)CC(F)(F)C1 G-6066 [0,1,0,1,0,0|1,0,0]=3 484 B10R1.566 NC1(C(=O)O)CC(F)(F)C1 P48274 [0,1,0,1,0,0|1,0,0]=3 485 B10R1.566 O=C(O)C1(F)CC(F)(F)C1 P46022 [0,1,0,1,0,0|2,0,0]=4 486 B10R1.14 COC(=O)C1CC(O)CN1 Q59355 [0,1,0,1,0,0|1,0,0]=3 487 B10R1.14 COC(=O)C1CCC(Br)C1 Q57113 [0,1,0,1,0,0|2,0,0]=4 488 B10R1.14 COC(=O)C1CCC(F)C1 Q56994 [0,1,0,1,0,0|2,0,0]=4 489 B10R1.14 COC(=O)C1CCC(N)C1 Q52413 [0,1,0,1,0,0|2,0,0]=4 490 B10R1.14 COC(=O)C1CCC(O)C1 Q52112 [0,1,0,1,0,0|2,0,0]=4 491 B10R1.14 COC(=O)C1CCN(C)C1 P38659 [0,1,0,1,0,0|2,0,0]=4 492 B10R1.14 COC(=O)[C@@H]1CC[C@@H](F)C1 Q52909 [0,1,0,1,0,0|2,0,0]=4 493 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 L18149 [0,1,0,1,0,0|2,0,0]=4 494 B10R1.14 COC(=O)[C@@H]1CC[C@@H](O)C1 L22418 [0,1,0,1,0,0|2,0,0]=4 495 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 L13341 [0,1,0,1,0,0|2,0,0]=4 496 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 I-9853 [0,1,0,1,0,0|2,0,0]=4 497 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 Q56974 [0,1,0,1,0,0|2,0,0]=4 498 B10R1.14 COC(=O)[C@@H]1C[C@@H](S)CN1 P50858 [0,1,0,1,0,0|1,0,0]=3 499 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 G-7740 [0,1,0,1,0,0|1,0,0]=3 500 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 P38268 [0,1,0,1,0,0|1,0,0]=3 501 B10R1.14 COC(=O)[C@H]1CC[C@@H](Br)C1 Q56993 [0,1,0,1,0,0|2,0,0]=4 502 B10R1.14 COC(=O)[C@H]1CC[C@@H](F)C1 Q52908 [0,1,0,1,0,0|2,0,0]=4 503 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 K12005 [0,1,0,1,0,0|2,0,0]=4 504 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 Q56975 [0,1,0,1,0,0|2,0,0]=4 505 B10R1.14 COC(=O)[C@H]1CC[C@H](Br)C1 L21293 [0,1,0,1,0,0|2,0,0]=4 506 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 L21260 [0,1,0,1,0,0|2,0,0]=4 507 B10R1.14 COC(=O)[C@H]1C[C@@H](F)CN1 L13088 [0,1,0,1,0,0|1,0,0]=3 508 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 G-7666 [0,1,0,1,0,0|1,0,0]=3 509 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 O31897 [0,1,0,1,0,0|1,0,0]=3 510 B10R1.14 COC(=O)[C@H]1C[C@H](S)CN1 Q53263 [0,1,0,1,0,0|1,0,0]=3 511 B10R1.64 CC(C)C[C@@H]1CNC[C@H]1O Q62156 [0,1,0,1,0,0|1,0,1]=4 512 B10R1.184 CNC(=O)C(N)CC1CC1 P50524 [0,1,0,1,0,0|1,0,0]=3 513 B10R1.184 COC(=O)C(N)CC1CC1 M23285 [0,1,0,1,0,0|0,0,0]=2 514 B10R1.184 COC(=O)[C@@H](N)CC1CC1 P39887 [0,1,0,1,0,0|0,0,0]=2 515 B10R1.194 CC1CC[C@@H](C(=O)O)N1C Q61630 [0,1,0,1,0,0|2,0,0]=4 516 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C L14511 [0,1,0,1,0,0|2,0,0]=4 517 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C L14374 [0,1,0,1,0,0|2,0,0]=4 518 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C Q61618 [0,1,0,1,0,0|2,0,0]=4 519 B10R1.413 COC(=O)C1=CC(C)(C)C1 P44078 [0,1,0,1,0,0|1,0,1]=4 520 B10R1.413 COC(=O)C1CC(C)(C)C1 G-7601 [0,1,0,1,0,0|1,0,0]=3 521 B10R1.424 COC(=O)C1(C)CC(O)C1 I-9476 [0,1,0,1,0,0|2,0,0]=4 522 B10R1.424 COC(=O)C1(F)CC(F)C1 P50448 [0,1,0,1,0,0|2,0,0]=4 523 B10R1.424 COC(=O)C1(F)CC(O)C1 P46055 [0,1,0,1,0,0|2,0,0]=4 524 B10R1.424 COC(=O)C1(N)CC(F)C1 P47186 [0,1,0,1,0,0|1,0,0]=3 525 B10R1.424 COC(=O)[C@]1(C)C[C@@H](N)C1 P50479 [0,1,0,1,0,0|2,0,0]=4 526 B10R1.424 COC(=O)[C@]1(C)C[C@@H](O)C1 L21457 [0,1,0,1,0,0|2,0,0]=4 527 B10R1.424 COC(=O)[C@]1(C)C[C@H](N)C1 P50480 [0,1,0,1,0,0|2,0,0]=4 528 B10R1.424 COC(=O)[C@]1(C)C[C@H](O)C1 L21473 [0,1,0,1,0,0|2,0,0]=4 529 B10R1.424 COC(=O)[C@]1(F)C[C@@H](N)C1 P50476 [0,1,0,1,0,0|2,0,0]=4 530 B10R1.424 COC(=O)[C@]1(F)C[C@H](N)C1 P50475 [0,1,0,1,0,0|2,0,0]=4 531 B10R1.30 CCC1CC(C)CCC1=O Q59559 [0,1,0,1,0,0|2,0,0]=4 532 B10R1.113 CC1CC(C(=O)O)CCN1 Q55487 [0,1,0,1,0,0|1,0,0]=3 533 B10R1.113 CC1CC(C(=O)O)CCO1 Q61449 [0,1,0,1,0,0|1,0,0]=3 534 B10R1.113 CC1CCNC(C(=O)O)C1 Q61262 [0,1,0,1,0,0|0,0,0]=2 535 B10R1.113 CC1CCNC(C(=O)O)C1 Q61263 [0,1,0,1,0,0|0,0,0]=2 536 B10R1.113 CN1CCCC(C(=O)O)C1 L13505 [0,1,0,1,0,0|2,0,0]=4 537 B10R1.113 CN1CCC[C@@H](C(=O)O)C1 L14828 [0,1,0,1,0,0|2,0,0]=4 538 B10R1.113 CN1CCC[C@H](C(=O)O)C1 L14829 [0,1,0,1,0,0|2,0,0]=4 539 B10R1.113 CN1CCOC(C(=O)O)C1 P35866 [0,1,0,1,0,0|2,0,0]=4 540 B10R1.113 C[C@@H]1CCC[C@H](C(=O)O)C1 P46944 [0,1,0,1,0,0|1,0,0]=3 541 B10R1.113 C[C@@H]1CCN[C@H](C(=O)O)C1 Q61267 [0,1,0,1,0,0|0,0,0]=2 542 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)C1 Q52365 [0,1,0,1,0,0|0,0,0]=2 543 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)C1 Q52364 [0,1,0,1,0,0|0,0,0]=2 544 B10R1.113 C[C@H]1CCN[C@@H](C(=O)O)C1 Q61264 [0,1,0,1,0,0|0,0,0]=2 545 B10R1.113 C[C@H]1CCN[C@@H](C(=O)O)C1 Q61266 [0,1,0,1,0,0|0,0,0]=2 546 B10R1.113 C[C@H]1CCN[C@H](C(=O)O)C1 Q61265 [0,1,0,1,0,0|0,0,0]=2 547 B10R1.113 C[C@H]1CCOC(C(=O)O)C1 Q57859 [0,1,0,1,0,0|1,0,0]=3 548 B10R1.113 C[C@H]1CCO[C@H](C(=O)O)C1 Q57865 [0,1,0,1,0,0|1,0,0]=3 549 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 Q52367 [0,1,0,1,0,0|0,0,0]=2 550 B10R1.113 C[C@H]1CNC[C@H](C(=O)O)C1 Q52366 [0,1,0,1,0,0|0,0,0]=2 551 B10R1.113 NC1CCCC(C(=O)O)C1 P44660 [0,1,0,1,0,0|2,0,0]=4 552 B10R1.113 NC1COCC(C(=O)O)C1 Q61512 [0,1,0,1,0,0|2,0,0]=4 553 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 10035 [0,1,0,1,0,0|2,0,0]=4 554 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 I-9369 [0,1,0,1,0,0|2,0,0]=4 555 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 P44816 [0,1,0,1,0,0|2,0,0]=4 556 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 L13283 [0,1,0,1,0,0|2,0,0]=4 557 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 P44485 [0,1,0,1,0,0|2,0,0]=4 558 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 10033 [0,1,0,1,0,0|2,0,0]=4 559 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 I-9281 [0,1,0,1,0,0|2,0,0]=4 560 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 I-9805 [0,1,0,1,0,0|2,0,0]=4 561 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P44486 [0,1,0,1,0,0|2,0,0]=4 562 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 I-9245 [0,1,0,1,0,0|2,0,0]=4 563 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P44237 [0,1,0,1,0,0|2,0,0]=4 564 B10R1.113 O=C(O)C1CC(F)CCN1 Q54386 [0,1,0,1,0,0|1,0,0]=3 565 B10R1.113 O=C(O)C1CC(F)CCO1 Q64671 [0,1,0,1,0,0|2,0,0]=4 566 B10R1.113 O=C(O)C1CNCC(F)C1 Q61298 [0,1,0,1,0,0|1,0,0]=3 567 B10R1.113 O=C(O)C1COCC(O)C1 Q54620 [0,1,0,1,0,0|2,0,0]=4 568 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](O)C1 P46948 [0,1,0,1,0,0|2,0,0]=4 569 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 O33392 [0,1,0,1,0,0|2,0,0]=4 570 B10R1.113 O=C(O)[C@@H]1CNC[C@H](F)C1 Q61299 [0,1,0,1,0,0|1,0,0]=3 571 B10R1.113 O=C(O)[C@@H]1CNC[C@H](F)C1 Q61300 [0,1,0,1,0,0|1,0,0]=3 572 B10R1.113 O=C(O)[C@H]1CCC[C@@H](O)C1 O33391 [0,1,0,1,0,0|2,0,0]=4 573 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P49269 [0,1,0,1,0,0|2,0,0]=4 574 B10R1.113 O=C(O)[C@H]1CNC[C@@H](F)C1 Q61301 [0,1,0,1,0,0|1,0,0]=3 575 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 Q65170 [0,1,0,1,0,0|1,0,0]=3 576 B10R1.113 O=C1CCNC(C(=O)O)C1 Q55043 [0,1,0,1,0,0|1,0,1]=4 577 B10R1.113 O=C1CCNC(C(=O)O)C1 S72456 [0,1,0,1,0,0|1,0,1]=4 578 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 M23516 [0,1,0,1,0,0|1,0,1]=4 579 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 M23534 [0,1,0,1,0,0|1,0,1]=4 580 B10R1.234 CC1CC(C#N)(C(=O)O)C1 P48708 [0,1,0,1,0,0|0,0,1]=3 581 B10R1.234 CCC1(C(=O)O)CC(C)C1 P47964 [0,1,0,1,0,0|1,0,0]=3 582 B10R1.361 CC(C)N1CC[C@H]1C(=O)O L14216 [0,1,0,1,0,0|2,0,0]=4 583 B10R1.31 COC1CCC(C(=O)O)C1 Q56979 [0,1,0,1,0,0|1,0,0]=3 584 B10R1.31 COC1CNC(C(=O)O)C1 Q59289 [0,1,0,1,0,0|0,0,0]=2 585 B10R1.31 COC1CNC(C(N)=O)C1 Q59305 [0,1,0,1,0,0|1,0,0]=3 586 B10R1.31 CO[C@@H]1CC[C@@H](C(=O)O)C1 Q56980 [0,1,0,1,0,0|1,0,0]=3 587 B10R1.31 CO[C@@H]1CC[C@@H](C(=O)O)C1 Q63416 [0,1,0,1,0,0|1,0,0]=3 588 B10R1.31 CO[C@@H]1CC[C@H](C(=O)O)C1 Q56978 [0,1,0,1,0,0|1,0,0]=3 589 B10R1.31 CO[C@@H]1CC[C@H](C(=O)O)C1 Q63417 [0,1,0,1,0,0|1,0,0]=3 590 B10R1.31 CO[C@@H]1CN[C@H](C(=O)O)C1 Q66169 [0,1,0,1,0,0|0,0,0]=2 591 B10R1.31 CO[C@H]1CC[C@@H](C(=O)O)C1 Q63418 [0,1,0,1,0,0|1,0,0]=3 592 B10R1.31 CO[C@H]1CC[C@H](C(=O)O)C1 Q63415 [0,1,0,1,0,0|1,0,0]=3 593 B10R1.176 CCC1CCC(=O)C(N)C1 Q59795 [0,1,0,1,0,0|1,0,0]=3 594 B10R1.204 CC(NC1COC1)C(=O)O Q58504 [0,1,0,1,0,0|2,0,0]=4 595 B10R1.204 NC(CC1CCC1)C(=O)O O28943 [0,1,0,1,0,0|0,0,0]=2 596 B10R1.204 NC(CC1CCC1)C(=O)O P45326 [0,1,0,1,0,0|0,0,0]=2 597 B10R1.204 N[C@@H](CC1CCC1)C(=O)O P34724 [0,1,0,1,0,0|0,0,0]=2 598 B10R1.204 N[C@H](CC1CCC1)C(=O)O O28407 [0,1,0,1,0,0|0,0,0]=2 599 B10R1.204 O=C(O)[C@@H](O)CC1CCC1 P43161 [0,1,0,1,0,0|1,0,0]=3 600 B10R1.204 O=C(O)[C@H](O)CC1CCC1 P44062 [0,1,0,1,0,0|1,0,0]=3 601 B10R1.235 CCC1(F)CC(C(=O)O)C1 P46356 [0,1,0,1,0,0|2,0,0]=4 602 B10R1.235 CC[C@]1(F)C[C@@H](C(=O)O)C1 P46293 [0,1,0,1,0,0|2,0,0]=4 603 B10R1.235 CC[C@]1(F)C[C@H](C(=O)O)C1 P46367 [0,1,0,1,0,0|2,0,0]=4 604 B10R1.490 COC1CC(N)(C(=O)O)C1 P47363 [0,1,0,1,0,0|0,0,0]=2 605 B10R1.490 CO[C@H]1C[C@@](N)(C(=O)O)C1 P46047 [0,1,0,1,0,0|0,0,0]=2 606 B10R1.490 CO[C@H]1C[C@](N)(C(=O)O)C1 P45958 [0,1,0,1,0,0|0,0,0]=2 607 B10R1.490 NC1(C(=O)O)CC(CO)C1 L14797 [0,1,0,1,0,0|0,0,0]=2 608 B10R1.490 N[C@]1(C(=O)O)C[C@@H](CF)C1 P45616 [0,1,0,1,0,0|0,0,0]=2 609 B10R1.490 N[C@]1(C(=O)O)C[C@@H](CO)C1 O33374 [0,1,0,1,0,0|0,0,0]=2 610 B10R1.490 N[C@]1(C(=O)O)C[C@H](CF)C1 P45617 [0,1,0,1,0,0|0,0,0]=2 611 B10R1.490 N[C@]1(C(=O)O)C[C@H](CO)C1 P49806 [0,1,0,1,0,0|0,0,0]=2 612 B10R1.490 N[C@]1(C(=O)O)C[C@H](CO)C1 P49809 [0,1,0,1,0,0|0,0,0]=2 613 B10R2.346 O=C(O)C1NC2CC1C2 P47911 [0,0,0,2,0,0|2,0,0]=4 614 B10R2.346 O=C(O)[C@@H]1NC2CC1C2 P46134 [0,0,0,2,0,0|2,0,0]=4 615 B10R2.346 O=C(O)[C@H]1NC2CC1C2 P44786 [0,0,0,2,0,0|2,0,0]=4 616 B10R2.348 O=C(O)C12CC(CN1)C2 P45265 [0,0,0,2,0,0|0,0,0]=2 617 B10R2.348 O=C(O)C12CC(CN1)C2 P49695 [0,0,0,2,0,0|0,0,0]=2 618 B10R2.348 O=C(O)C12CCC(C1)C2 P45365 [0,0,0,2,0,0|1,0,0]=3 619 B10R2.355 O=C(O)C1NCC2CC21 L14641 [0,0,0,2,0,0|0,0,0]=2 620 B10R2.355 O=C(O)[C@H]1NC[C@@H]2C[C@H]12 L18192 [0,0,0,2,0,0|0,0,0]=2 621 B10R2.355 O=C(O)[C@H]1NC[C@@H]2C[C@H]12 Q52830 [0,0,0,2,0,0|0,0,0]=2 622 B10R2.355 O=C(O)[C@H]1NC[C@@H]2C[C@H]12 Q56647 [0,0,0,2,0,0|0,0,0]=2 623 B10R2.355 [C@@H]12CN[C@H](C(=O)O)[C@@H]1C2 L18089 [0,0,0,2,0,0|0,0,0]=2 624 B10R2.355 [C@@H]12CN[C@H](C(=O)O)[C@@H]1C2 Q56348 [0,0,0,2,0,0|0,0,0]=2 625 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 Q56917 [0,0,0,2,0,0|1,0,0]=3 626 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 Q56918 [0,0,0,2,0,0|1,0,0]=3 627 B10R2.357 O=C(O)C1CC2CC2C1 G-7814 [0,0,0,2,0,0|1,0,0]=3 628 B10R2.357 O=C(O)[C@@H]1CC2C[C@@H]2N1 G-7862 [0,0,0,2,0,0|0,0,0]=2 629 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 Q56285 [0,0,0,2,0,0|0,0,0]=2 630 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 Q54451 [0,0,0,2,0,0|0,0,0]=2 631 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 Q54452 [0,0,0,2,0,0|0,0,0]=2 632 B10R2.357 O=C(O)[C@H]1C[C@@H]2C[C@@H]2N1 Q57363 [0,0,0,2,0,0|0,0,0]=2 633 B10R2.357 [C@@H]12C[C@@H](C(N)=O)N[C@@H]1C2 Q52271 [0,0,0,2,0,0|1,0,0]=3 634 B10R2.357 [C@@H]12C[C@H](C(=O)O)N[C@@H]1C2 L21898 [0,0,0,2,0,0|0,0,0]=2 635 B10R2.357 [C@@H]12C[C@H](C(=O)O)N[C@@H]1C2 Q52195 [0,0,0,2,0,0|0,0,0]=2 636 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 Q69750 [0,0,0,2,0,0|1,0,0]=3 637 B10R2.633 O=C(O)C1CC1C2CC2 L14724 [0,0,0,2,0,0|1,0,0]=3 638 B10R2.633 O=C(O)C1CC1C2CC2 P51638 [0,0,0,2,0,0|1,0,0]=3 639 B10R2.646 O=C(O)C1CC2(CC2)C1 Q55817 [0,0,0,2,0,0|1,0,0]=3 640 B10R2.636 CC(=O)C12CC(C)(C1)C2 P45122 [0,0,0,2,0,0|2,0,0]=4 641 B10R2.636 CC12CC(C(=O)O)(C1)C2 L22386 [0,0,0,2,0,0|1,0,0]=3 642 B10R2.636 CC12CC(C(N)=O)(C1)C2 P45164 [0,0,0,2,0,0|2,0,0]=4 643 B10R2.636 NC12CC(C(=O)O)(C1)C2 I-9815 [0,0,0,2,0,0|2,0,0]=4 644 B10R2.636 NC12CC(C(=O)O)(C1)C2 P45643 [0,0,0,2,0,0|2,0,0]=4 645 B10R2.636 O=C(O)C12CC(Br)(C1)C2 P47851 [0,0,0,2,0,0|2,0,0]=4 646 B10R2.636 O=C(O)C12CC(Cl)(C1)C2 L22102 [0,0,0,2,0,0|2,0,0]=4 647 B10R2.636 O=C(O)C12CC(F)(C1)C2 L22075 [0,0,0,2,0,0|2,0,0]=4 648 B10R2.636 O=C(O)C12CC(O)(C1)C2 H-8342 [0,0,0,2,0,0|2,0,0]=4 649 B8R0.28 CC(=O)\C=C\CC(C)C O31440 [1,0,0,0,0,1|1,0,1]=4 650 B8R0.28 CC(C)CNCC(=O)O P38861 [1,0,0,0,0,1|0,0,0]=2 651 B8R0.28 CN(C)C\C=C\C(=O)O K12319 [1,0,0,0,0,1|1,0,1]=4 652 B10R0.98 CC(C)CCCC(N)C(=O)O P37369 [0,0,0,0,0,2|0,0,0]=2 653 B10R0.98 CC(C)CCC[C@H](N)C(=O)O M22853 [0,0,0,0,0,2|0,0,0]=2