0 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [0,0,0,0,0,0|3,0,0]=3 9 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [0,0,0,0,0,0|3,0,0]=3 10 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,0,0,0,0,0|3,0,0]=3 16 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,0,0,0,0,0|3,0,0]=3 17 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,0,0,0,0,0|4,0,0]=4 18 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [0,0,0,0,0,0|2,0,1]=3 19 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [0,0,0,0,0,0|3,0,0]=3 20 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [0,0,0,0,0,0|3,0,0]=3 21 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,0,0,0,0,0|3,0,0]=3 23 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,0,0,0,0,0|2,0,0]=2 24 B8R0.23 CC(=O)C(N)CC(C)C MCULE-2548441556 [0,0,0,0,0,0|4,0,0]=4 25 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,0,0,0,0,0|3,0,0]=3 26 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,0,0,0,0,0|2,0,0]=2 27 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,0,0,0,0,0|2,0,0]=2 28 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,0,0,0,0,0|4,0,0]=4 29 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,0,0,0,0,0|3,0,0]=3 30 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,0,0,0,0,0|4,0,0]=4 31 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,0,0,0,0,0|4,0,0]=4 32 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,0,0,0,0,0|4,0,0]=4 33 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,0,0,0,0,0|4,0,0]=4 34 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,0,0,0,0,0|4,0,0]=4 35 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,0,0,0,0,0|4,0,0]=4 36 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,0,0,0,0,0|4,0,0]=4 37 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,0,0,0,0,0|4,0,0]=4 38 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,0,0,0,0,0|4,0,0]=4 39 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,0,0,0,0,0|4,0,0]=4 40 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,0,0,0,0,0|4,0,0]=4 41 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,0,0,0,0,0|4,0,0]=4 42 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,0,0,0,0,0|4,0,0]=4 43 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [0,0,0,0,0,0|3,0,1]=4 46 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [0,0,0,0,0,0|3,0,1]=4 47 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-2778142655 [0,0,0,0,0,0|4,0,0]=4 48 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-7689846956 [0,0,0,0,0,0|4,0,0]=4 49 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [0,0,0,0,0,0|4,0,0]=4 50 B8R0.23 CC(C)CC(Cl)C(=O)O MCULE-6347367806 [0,0,0,0,0,0|4,0,0]=4 51 B8R0.23 CC(C)CC(F)C(=O)O MCULE-6908911956 [0,0,0,0,0,0|4,0,0]=4 52 B8R0.23 CC(C)CC(N)C(=O)N MCULE-8974870406 [0,0,0,0,0,0|4,0,0]=4 53 B8R0.23 CC(C)CC(N)C(=O)N MCULE-9193295179 [0,0,0,0,0,0|4,0,0]=4 54 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [0,0,0,0,0,0|3,0,0]=3 55 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [0,0,0,0,0,0|3,0,0]=3 56 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [0,0,0,0,0,0|4,0,0]=4 57 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [0,0,0,0,0,0|4,0,0]=4 58 B8R0.23 CC(C)C[C@@H](Br)C(=O)O MCULE-2325122781 [0,0,0,0,0,0|4,0,0]=4 59 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O MCULE-6797937420 [0,0,0,0,0,0|4,0,0]=4 60 B8R0.23 CC(C)C[C@@H](N)C(=O)N MCULE-6195005494 [0,0,0,0,0,0|4,0,0]=4 61 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [0,0,0,0,0,0|3,0,0]=3 62 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [0,0,0,0,0,0|3,0,0]=3 63 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [0,0,0,0,0,0|4,0,0]=4 64 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [0,0,0,0,0,0|4,0,0]=4 65 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-4423121396 [0,0,0,0,0,0|4,0,0]=4 66 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-7601821889 [0,0,0,0,0,0|4,0,0]=4 67 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-1038344796 [0,0,0,0,0,0|4,0,0]=4 68 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-9007168250 [0,0,0,0,0,0|4,0,0]=4 69 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-3907393760 [0,0,0,0,0,0|4,0,0]=4 70 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-5393472198 [0,0,0,0,0,0|4,0,0]=4 71 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-7425207205 [0,0,0,0,0,0|4,0,0]=4 72 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-8093463847 [0,0,0,0,0,0|4,0,0]=4 73 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [0,0,0,0,0,0|3,0,0]=3 74 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [0,0,0,0,0,0|3,0,0]=3 75 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [0,0,0,0,0,0|3,0,0]=3 76 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [0,0,0,0,0,0|4,0,0]=4 77 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [0,0,0,0,0,0|4,0,0]=4 78 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [0,0,0,0,0,0|3,0,1]=4 79 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [0,0,0,0,0,0|3,0,1]=4 80 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [0,0,0,0,0,0|3,0,1]=4 81 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [0,0,0,0,0,0|3,0,1]=4 82 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [0,0,0,0,0,0|3,0,1]=4 83 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [0,0,0,0,0,0|3,0,1]=4 84 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [0,0,0,0,0,0|3,0,1]=4 85 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [0,0,0,0,0,0|3,0,1]=4 86 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [0,0,0,0,0,0|4,0,0]=4 87 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,0,0,0,0,0|3,0,0]=3 88 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,0,0,0,0,0|2,0,0]=2 89 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,0,0,0,0,0|2,0,0]=2 90 B8R0.23 CC(CC(F)F)C(=O)O MCULE-2211206695 [0,0,0,0,0,0|4,0,0]=4 91 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7139783268 [0,0,0,0,0,0|4,0,0]=4 92 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7716649676 [0,0,0,0,0,0|4,0,0]=4 93 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [0,0,0,0,0,0|2,0,0]=2 94 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [0,0,0,0,0,0|4,0,0]=4 95 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,0,0,0,0,0|2,0,1]=3 96 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,0,0,0,0,0|2,0,1]=3 97 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4589211472 [0,0,0,0,0,0|3,0,0]=3 98 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4873136690 [0,0,0,0,0,0|3,0,0]=3 99 B8R0.23 CN(C)CC(O)C(=O)O MCULE-2461037518 [0,0,0,0,0,0|4,0,0]=4 100 B8R0.23 CN(C)C[C@@H](N)C(=O)O MCULE-7056570231 [0,0,0,0,0,0|3,0,0]=3 101 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-1155351106 [0,0,0,0,0,0|3,0,0]=3 102 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-2217543416 [0,0,0,0,0,0|3,0,0]=3 103 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-6989814495 [0,0,0,0,0,0|3,0,0]=3 104 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-7529109312 [0,0,0,0,0,0|3,0,0]=3 105 B8R0.23 CN(C)C[C@H](O)C(=O)O MCULE-7629489364 [0,0,0,0,0,0|4,0,0]=4 106 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,0,0,0,0,0|4,0,0]=4 107 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,0,0,0,0,0|1,0,0]=1 108 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,0,0,0,0,0|1,0,0]=1 109 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,0,0,0,0,0|1,0,0]=1 110 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,0,0,0,0,0|2,0,0]=2 111 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,0,0,0,0,0|2,0,0]=2 112 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,0,0,0,0,0|2,0,1]=3 113 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,0,0,0,0,0|2,0,1]=3 114 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,0,0,0,0,0|2,0,1]=3 115 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,0,0,0,0,0|2,0,1]=3 116 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,0,0,0,0,0|2,0,1]=3 117 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,0,0,0,0,0|2,0,1]=3 118 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,0,0,0,0,0|2,0,0]=2 119 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,0,0,0,0,0|2,0,0]=2 120 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [0,0,0,0,0,0|3,0,0]=3 121 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [0,0,0,0,0,0|3,0,0]=3 122 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [0,0,0,0,0,0|4,0,0]=4 123 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,0,0,0,0,0|2,0,1]=3 124 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,0,0,0,0,0|1,0,0]=1 125 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,0,0,0,0,0|2,0,0]=2 126 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,0,0,0,0,0|3,0,0]=3 127 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,0,0,0,0,0|2,0,0]=2 128 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [0,0,0,0,0,0|3,0,0]=3 129 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,0,0,0,0,0|2,0,0]=2 130 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,0,0,0,0,0|2,0,0]=2 131 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [0,0,0,0,0,0|3,0,0]=3 132 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [0,0,0,0,0,0|3,0,0]=3 133 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [0,0,0,0,0,0|3,0,0]=3 134 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [0,0,0,0,0,0|3,0,0]=3 135 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,0,0,0,0,0|2,0,0]=2 136 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,0,0,0,0,0|2,0,0]=2 137 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,0,0,0,0,0|3,0,0]=3 138 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,0,0,0,0,0|2,0,0]=2 139 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,0,0,0,0,0|2,0,0]=2 140 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,0,0,0,0,0|2,0,0]=2 141 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,0,0,0,0,0|2,0,0]=2 142 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,0,0,0,0,0|2,0,0]=2 143 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,0,0,0,0,0|2,0,0]=2 144 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,0,0,0,0,0|1,0,0]=1 145 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,0,0,0,0,0|1,0,0]=1 146 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,0,0,0,0,0|1,0,1]=2 147 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,0,0,0,0,0|1,0,1]=2 148 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,0,0,0,0,0|1,0,1]=2 149 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [0,0,0,0,0,0|1,0,2]=3 150 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [0,0,0,0,0,0|1,0,2]=3 151 B8R0.23 NC(CC(F)F)C(=O)O MCULE-1880803967 [0,0,0,0,0,0|3,0,0]=3 152 B8R0.23 NC(CC(F)F)C(=O)O MCULE-7276277891 [0,0,0,0,0,0|3,0,0]=3 153 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,0,0,0,0,0|1,0,0]=1 154 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,0,0,0,0,0|1,0,0]=1 155 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,0,0,0,0,0|1,0,1]=2 156 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,0,0,0,0,0|1,0,1]=2 157 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [0,0,0,0,0,0|1,0,2]=3 158 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [0,0,0,0,0,0|1,0,2]=3 159 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [0,0,0,0,0,0|1,0,2]=3 160 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [0,0,0,0,0,0|1,0,2]=3 161 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [0,0,0,0,0,0|1,0,2]=3 162 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O MCULE-9426370618 [0,0,0,0,0,0|3,0,0]=3 163 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3232895455 [0,0,0,0,0,0|3,0,0]=3 164 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3771092799 [0,0,0,0,0,0|3,0,0]=3 165 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-5990452255 [0,0,0,0,0,0|3,0,0]=3 166 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,0,0,0,0,0|0,0,0]=0 167 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,0,0,0,0,0|0,0,0]=0 168 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,0,0,0,0,0|1,0,0]=1 169 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-2615133633 [0,0,0,0,0,0|3,0,0]=3 170 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-4923641891 [0,0,0,0,0,0|3,0,0]=3 171 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [0,0,0,0,0,0|2,0,2]=4 172 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [0,0,0,0,0,0|2,0,2]=4 173 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [0,0,0,0,0,0|2,0,2]=4 174 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [0,0,0,0,0,0|2,0,1]=3 175 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,0,0,0,0,0|2,0,0]=2 176 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,0,0,0,0,0|2,0,0]=2 177 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,0,0,0,0,0|2,0,0]=2 178 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,0,0,0,0,0|2,0,0]=2 179 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,0,0,0,0,0|2,0,0]=2 180 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,0,0,0,0,0|2,0,0]=2 181 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,0,0,0,0,0|2,0,0]=2 182 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,0,0,0,0,0|2,0,0]=2 183 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,0,0,0,0,0|2,0,0]=2 184 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,0,0,0,0,0|2,0,0]=2 185 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,0,0,0,0,0|2,0,0]=2 186 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,0,0,0,0,0|2,0,0]=2 187 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,0,0,0,0,0|2,0,0]=2 188 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,0,0,0,0,0|2,0,0]=2 189 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,0,0,0,0,0|2,0,0]=2 190 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,0,0,0,0,0|2,0,0]=2 191 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,0,0,0,0,0|2,0,1]=3 192 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,0,0,0,0,0|2,0,0]=2 193 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,0,0,0,0,0|3,0,0]=3 194 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,0,0,0,0,0|1,0,0]=1 195 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-4796212792 [0,0,0,0,0,0|4,0,0]=4 196 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-7620299780 [0,0,0,0,0,0|4,0,0]=4 197 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-8990653324 [0,0,0,0,0,0|4,0,0]=4 198 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,0,0,0,0,0|1,0,0]=1 199 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [0,0,0,0,0,0|0,0,2]=2 200 B8R0.23 [NH3+][C@@H](CC(=O)[O-])C(=O)[O-] MCULE-1215535631 [0,0,0,0,0,0|1,0,3]=4 201 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [1,0,0,0,0,0|3,0,0]=4 202 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [1,0,0,0,0,0|2,0,0]=3 203 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [1,0,0,0,0,0|2,0,0]=3 204 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [1,0,0,0,0,0|3,0,0]=4 205 B7R0.2 CC(C)C[C@H](N)C=O MCULE-3713415627 [1,0,0,0,0,0|3,0,0]=4 206 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [1,0,0,0,0,0|2,0,1]=4 207 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [1,0,0,0,0,0|2,0,1]=4 208 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [1,0,0,0,0,0|2,0,1]=4 209 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [1,0,0,0,0,0|2,0,1]=4 210 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [1,0,0,0,0,0|2,0,1]=4 211 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [1,0,0,0,0,0|2,0,1]=4 212 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [1,0,0,0,0,0|2,0,1]=4 213 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [1,0,0,0,0,0|2,0,1]=4 214 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [1,0,0,0,0,0|2,0,1]=4 215 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [1,0,0,0,0,0|2,0,1]=4 216 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [1,0,0,0,0,0|3,0,0]=4 217 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [1,0,0,0,0,0|2,0,1]=4 218 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [1,0,0,0,0,0|1,0,1]=3 219 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [1,0,0,0,0,0|1,0,1]=3 220 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [1,0,0,0,0,0|1,0,1]=3 221 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [1,0,0,0,0,0|2,0,1]=4 222 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [1,0,0,0,0,0|2,0,1]=4 223 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [1,0,0,0,0,0|2,0,1]=4 224 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [1,0,0,0,0,0|2,0,1]=4 225 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [1,0,0,0,0,0|2,0,1]=4 226 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [1,0,0,0,0,0|2,0,1]=4 227 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [1,0,0,0,0,0|1,0,1]=3 228 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [1,0,0,0,0,0|1,0,1]=3 229 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [1,0,0,0,0,0|1,0,1]=3 230 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [1,0,0,0,0,0|1,0,1]=3 231 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [1,0,0,0,0,0|2,0,1]=4 232 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [1,0,0,0,0,0|2,0,1]=4 233 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [1,0,0,0,0,0|3,0,0]=4 234 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [1,0,0,0,0,0|3,0,0]=4 235 B7R0.5 C#CCC(F)C(=O)O MCULE-1070671235 [1,0,0,0,0,0|3,0,0]=4 236 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [1,0,0,0,0,0|2,0,0]=3 237 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [1,0,0,0,0,0|2,0,0]=3 238 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [1,0,0,0,0,0|2,0,0]=3 239 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [1,0,0,0,0,0|2,0,0]=3 240 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [1,0,0,0,0,0|3,0,0]=4 241 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [1,0,0,0,0,0|2,0,0]=3 242 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [1,0,0,0,0,0|2,0,0]=3 243 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [1,0,0,0,0,0|2,0,0]=3 244 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [1,0,0,0,0,0|2,0,0]=3 245 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [1,0,0,0,0,0|2,0,0]=3 246 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [1,0,0,0,0,0|2,0,0]=3 247 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [1,0,0,0,0,0|2,0,0]=3 248 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [1,0,0,0,0,0|2,0,0]=3 249 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [1,0,0,0,0,0|2,0,1]=4 250 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [1,0,0,0,0,0|3,0,0]=4 251 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [1,0,0,0,0,0|2,0,0]=3 252 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [1,0,0,0,0,0|2,0,0]=3 253 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [1,0,0,0,0,0|2,0,0]=3 254 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [1,0,0,0,0,0|2,0,0]=3 255 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [1,0,0,0,0,0|3,0,0]=4 256 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [1,0,0,0,0,0|2,0,0]=3 257 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [1,0,0,0,0,0|2,0,0]=3 258 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [1,0,0,0,0,0|2,0,0]=3 259 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [1,0,0,0,0,0|2,0,0]=3 260 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [1,0,0,0,0,0|3,0,0]=4 261 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [1,0,0,0,0,0|2,0,0]=3 262 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [1,0,0,0,0,0|2,0,0]=3 263 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [1,0,0,0,0,0|2,0,0]=3 264 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [1,0,0,0,0,0|2,0,0]=3 265 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [1,0,0,0,0,0|3,0,0]=4 266 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [1,0,0,0,0,0|3,0,0]=4 267 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [1,0,0,0,0,0|3,0,0]=4 268 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [1,0,0,0,0,0|3,0,0]=4 269 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [1,0,0,0,0,0|3,0,0]=4 270 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [1,0,0,0,0,0|3,0,0]=4 271 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [1,0,0,0,0,0|2,0,0]=3 272 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [1,0,0,0,0,0|2,0,1]=4 273 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [1,0,0,0,0,0|3,0,0]=4 274 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [1,0,0,0,0,0|3,0,0]=4 275 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [1,0,0,0,0,0|3,0,0]=4 276 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [1,0,0,0,0,0|3,0,0]=4 277 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [1,0,0,0,0,0|3,0,0]=4 278 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [1,0,0,0,0,0|3,0,0]=4 279 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [1,0,0,0,0,0|3,0,0]=4 280 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [1,0,0,0,0,0|2,0,0]=3 281 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [1,0,0,0,0,0|2,0,0]=3 282 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [1,0,0,0,0,0|2,0,0]=3 283 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [1,0,0,0,0,0|3,0,0]=4 284 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [1,0,0,0,0,0|3,0,0]=4 285 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [1,0,0,0,0,0|2,0,0]=3 286 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [1,0,0,0,0,0|2,0,0]=3 287 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [1,0,0,0,0,0|3,0,0]=4 288 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [1,0,0,0,0,0|3,0,0]=4 289 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [1,0,0,0,0,0|3,0,0]=4 290 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [1,0,0,0,0,0|3,0,0]=4 291 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [1,0,0,0,0,0|3,0,0]=4 292 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [1,0,0,0,0,0|3,0,0]=4 293 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [1,0,0,0,0,0|2,0,0]=3 294 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [1,0,0,0,0,0|2,0,0]=3 295 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [1,0,0,0,0,0|2,0,0]=3 296 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [1,0,0,0,0,0|3,0,0]=4 297 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [1,0,0,0,0,0|3,0,0]=4 298 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [1,0,0,0,0,0|3,0,0]=4 299 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [1,0,0,0,0,0|3,0,0]=4 300 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [1,0,0,0,0,0|2,0,0]=3 301 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [1,0,0,0,0,0|2,0,0]=3 302 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [1,0,0,0,0,0|2,0,0]=3 303 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [1,0,0,0,0,0|2,0,0]=3 304 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [1,0,0,0,0,0|2,0,0]=3 305 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [1,0,0,0,0,0|2,0,0]=3 306 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [1,0,0,0,0,0|2,1,0]=4 307 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [1,0,0,0,0,0|2,1,0]=4 308 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [1,0,0,0,0,0|2,1,0]=4 309 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [1,0,0,0,0,0|2,1,0]=4 310 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [1,0,0,0,0,0|2,1,0]=4 311 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [1,0,0,0,0,0|1,1,0]=3 312 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [1,0,0,0,0,0|1,1,0]=3 313 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [1,0,0,0,0,0|1,1,0]=3 314 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [1,0,0,0,0,0|1,1,0]=3 315 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [1,0,0,0,0,0|2,1,0]=4 316 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [1,0,0,0,0,0|1,1,0]=3 317 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [1,0,0,0,0,0|1,1,0]=3 318 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [1,0,0,0,0,0|1,1,0]=3 319 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [1,0,0,0,0,0|1,1,0]=3 320 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [1,0,0,0,0,0|1,1,0]=3 321 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [1,0,0,0,0,0|1,1,0]=3 322 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [1,0,0,0,0,0|1,1,0]=3 323 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [1,0,0,0,0,0|1,1,0]=3 324 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [1,0,0,0,0,0|2,0,1]=4 325 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [1,0,0,0,0,0|1,0,1]=3 326 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [1,0,0,0,0,0|1,0,1]=3 327 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [1,0,0,0,0,0|1,0,1]=3 328 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [1,0,0,0,0,0|2,1,0]=4 329 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [1,0,0,0,0,0|3,0,0]=4 330 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [1,0,0,0,0,0|3,0,0]=4 331 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [1,0,0,0,0,0|1,1,0]=3 332 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [1,0,0,0,0,0|1,1,0]=3 333 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [1,0,0,0,0,0|1,1,0]=3 334 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [1,0,0,0,0,0|1,1,0]=3 335 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [1,0,0,0,0,0|1,1,0]=3 336 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [1,0,0,0,0,0|1,1,0]=3 337 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [1,0,0,0,0,0|2,0,0]=3 338 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [1,0,0,0,0,0|2,0,0]=3 339 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [1,0,0,0,0,0|2,0,0]=3 340 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [1,0,0,0,0,0|2,0,0]=3 341 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [1,0,0,0,0,0|2,0,0]=3 342 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [1,0,0,0,0,0|2,0,0]=3 343 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [1,0,0,0,0,0|2,0,0]=3 344 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [1,0,0,0,0,0|1,0,0]=2 345 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [1,0,0,0,0,0|1,0,0]=2 346 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [1,0,0,0,0,0|1,1,0]=3 347 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [1,0,0,0,0,0|1,1,0]=3 348 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [1,0,0,0,0,0|1,0,0]=2 349 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [1,0,0,0,0,0|3,0,0]=4 350 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [1,0,0,0,0,0|3,0,0]=4 351 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [1,0,0,0,0,0|2,0,0]=3 352 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [1,0,0,0,0,0|2,0,0]=3 353 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [1,0,0,0,0,0|2,0,0]=3 354 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [1,0,0,0,0,0|2,0,0]=3 355 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [1,0,0,0,0,0|2,0,0]=3 356 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [1,0,0,0,0,0|2,0,0]=3 357 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [1,0,0,0,0,0|2,0,0]=3 358 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [1,0,0,0,0,0|3,0,0]=4 359 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [1,0,0,0,0,0|3,0,0]=4 360 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [1,0,0,0,0,0|2,0,0]=3 361 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [1,0,0,0,0,0|2,0,0]=3 362 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [1,0,0,0,0,0|2,0,0]=3 363 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [1,0,0,0,0,0|2,0,0]=3 364 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [1,0,0,0,0,0|3,0,0]=4 365 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [1,0,0,0,0,0|2,0,0]=3 366 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [1,0,0,0,0,0|2,0,0]=3 367 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [1,0,0,0,0,0|2,0,0]=3 368 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [1,0,0,0,0,0|2,0,0]=3 369 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [1,0,0,0,0,0|2,0,0]=3 370 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [1,0,0,0,0,0|2,0,0]=3 371 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [1,0,0,0,0,0|2,0,0]=3 372 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [1,0,0,0,0,0|2,0,0]=3 373 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [1,0,0,0,0,0|2,0,0]=3 374 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [1,0,0,0,0,0|3,0,0]=4 375 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [1,0,0,0,0,0|3,0,0]=4 376 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [1,0,0,0,0,0|1,1,0]=3 377 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [1,0,0,0,0,0|2,0,0]=3 378 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [1,0,0,0,0,0|2,0,0]=3 379 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [1,0,0,0,0,0|2,0,0]=3 380 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [1,0,0,0,0,0|2,0,0]=3 381 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [1,0,0,0,0,0|1,0,0]=2 382 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [1,0,0,0,0,0|1,0,0]=2 383 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [1,0,0,0,0,0|1,1,0]=3 384 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [1,0,0,0,0,0|1,1,0]=3 385 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [1,0,0,0,0,0|0,1,1]=3 386 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [1,0,0,0,0,0|2,0,0]=3 387 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [1,0,0,0,0,0|2,0,0]=3 388 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [1,0,0,0,0,0|1,0,0]=2 389 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [1,0,0,0,0,0|1,0,0]=2 390 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [1,0,0,0,0,0|1,1,0]=3 391 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [1,0,0,0,0,0|1,1,0]=3 392 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [1,0,0,0,0,0|3,0,0]=4 393 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [1,0,0,0,0,0|2,0,0]=3 394 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [1,0,0,0,0,0|2,0,0]=3 395 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [1,0,0,0,0,0|3,0,0]=4 396 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [1,0,0,0,0,0|3,0,0]=4 397 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [1,0,0,0,0,0|3,0,0]=4 398 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [1,0,0,0,0,0|3,0,0]=4 399 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [1,0,0,0,0,0|3,0,0]=4 400 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [1,0,0,0,0,0|2,0,0]=3 401 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [1,0,0,0,0,0|2,0,1]=4 402 B7R0.6 CC(=O)CCN(=O)=O MCULE-4726243654 [1,0,0,0,0,0|2,0,1]=4 403 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [1,0,0,0,0,0|3,0,0]=4 404 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [1,0,0,0,0,0|3,0,0]=4 405 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [1,0,0,0,0,0|3,0,0]=4 406 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [1,0,0,0,0,0|3,0,0]=4 407 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [1,0,0,0,0,0|3,0,0]=4 408 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [1,0,0,0,0,0|3,0,0]=4 409 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [1,0,0,0,0,0|2,0,0]=3 410 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [1,0,0,0,0,0|2,0,1]=4 411 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [1,0,0,0,0,0|2,1,0]=4 412 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [1,0,0,0,0,0|3,0,0]=4 413 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [1,0,0,0,0,0|3,0,0]=4 414 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [1,0,0,0,0,0|1,0,0]=2 415 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [1,0,0,0,0,0|3,0,0]=4 416 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [1,0,0,0,0,0|3,0,0]=4 417 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [1,0,0,0,0,0|3,0,0]=4 418 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [1,0,0,0,0,0|3,0,0]=4 419 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [1,0,0,0,0,0|3,0,0]=4 420 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [1,0,0,0,0,0|3,0,0]=4 421 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [1,0,0,0,0,0|3,0,0]=4 422 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [1,0,0,0,0,0|2,0,1]=4 423 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [1,0,0,0,0,0|2,0,1]=4 424 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [1,0,0,0,0,0|3,0,0]=4 425 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [1,0,0,0,0,0|2,0,0]=3 426 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [1,0,0,0,0,0|3,0,0]=4 427 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [1,0,0,0,0,0|3,0,0]=4 428 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [1,0,0,0,0,0|3,0,0]=4 429 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [1,0,0,0,0,0|1,0,2]=4 430 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [1,0,0,0,0,0|1,0,2]=4 431 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [1,0,0,0,0,0|1,0,2]=4 432 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [1,0,0,0,0,0|1,0,2]=4 433 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [1,0,0,0,0,0|1,0,2]=4 434 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [1,0,0,0,0,0|1,0,2]=4 435 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [1,0,0,0,0,0|1,0,2]=4 436 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [1,0,0,0,0,0|1,0,2]=4 437 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [1,0,0,0,0,0|1,0,2]=4 438 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [1,0,0,0,0,0|1,0,1]=3 439 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [1,0,0,0,0,0|1,0,0]=2 440 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [1,0,0,0,0,0|1,0,0]=2 441 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [1,0,0,0,0,0|3,0,0]=4 442 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [1,0,0,0,0,0|1,0,1]=3 443 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [1,0,0,0,0,0|3,0,0]=4 444 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [1,0,0,0,0,0|1,0,1]=3 445 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [1,0,0,0,0,0|1,0,2]=4 446 B9R0.11 C=C(C)C(C)(N)CC(=O)O MCULE-2432744381 [0,1,0,0,0,0|3,0,0]=4 447 B9R0.11 C=C(C)C(C)(N)CC(=O)O MCULE-7800105371 [0,1,0,0,0,0|3,0,0]=4 448 B9R0.11 CC(=O)C(C)(C)CC(=O)O MCULE-3797968347 [0,1,0,0,0,0|3,0,0]=4 449 B9R0.11 CC(=O)CC(C)(C)C(=O)O MCULE-3548808704 [0,1,0,0,0,0|3,0,0]=4 450 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [0,1,0,0,0,0|2,0,0]=3 451 B9R0.11 CC(C)CC(C)(N)C(=O)O MCULE-4257632982 [0,1,0,0,0,0|3,0,0]=4 452 B9R0.11 CC(C)CC(C)(N)C(=O)O MCULE-6991659149 [0,1,0,0,0,0|3,0,0]=4 453 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O MCULE-4712290479 [0,1,0,0,0,0|3,0,0]=4 454 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O MCULE-9085844136 [0,1,0,0,0,0|3,0,0]=4 455 B9R0.11 CC(C)C[C@](C)(N)C(=O)O MCULE-6073129801 [0,1,0,0,0,0|3,0,0]=4 456 B9R0.11 CC(C)C[C@](C)(N)C(=O)O MCULE-7162987343 [0,1,0,0,0,0|3,0,0]=4 457 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [0,1,0,0,0,0|1,0,0]=2 458 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [0,1,0,0,0,0|1,0,0]=2 459 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [0,1,0,0,0,0|2,0,0]=3 460 B9R0.11 CN(C)CC(C)(N)C(=O)O MCULE-4857565953 [0,1,0,0,0,0|3,0,0]=4 461 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [0,1,0,0,0,0|1,0,0]=2 462 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [0,1,0,0,0,0|1,0,0]=2 463 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-5803295303 [0,1,0,0,0,0|2,0,0]=3 464 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-9662132548 [0,1,0,0,0,0|2,0,0]=3 465 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [0,1,0,0,0,0|1,0,0]=2 466 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [0,1,0,0,0,0|2,0,0]=3 467 B9R0.11 O=C(O)CC(F)(F)C(=O)O MCULE-7706048377 [0,1,0,0,0,0|2,0,0]=3 468 B9R0.11 O=C(O)CC(S)(S)C(=O)O MCULE-7344489814 [0,1,0,0,0,0|2,0,0]=3 469 B9R0.23 C(N)(CC(=O)O)C(=O)OC MCULE-3786901582 [0,1,0,0,0,0|1,0,0]=2 470 B9R0.23 C=C(C)CC(N)C(=O)OC MCULE-2770411625 [0,1,0,0,0,0|3,0,0]=4 471 B9R0.23 C=C(CC(=O)O)C(=O)OC MCULE-6964816559 [0,1,0,0,0,0|2,0,1]=4 472 B9R0.23 COC(=O)C(C)CC(=O)C MCULE-2131243248 [0,1,0,0,0,0|3,0,0]=4 473 B9R0.23 COC(=O)C(C)CC(=O)O MCULE-5268313344 [0,1,0,0,0,0|2,0,0]=3 474 B9R0.23 COC(=O)C(C)CS(=O)[O-] MCULE-6308173188 [0,1,0,0,0,0|1,0,1]=3 475 B9R0.23 COC(=O)C(C)CS(=O)[O-] MCULE-6522031658 [0,1,0,0,0,0|1,0,1]=3 476 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-1752536252 [0,1,0,0,0,0|2,0,0]=3 477 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-5054924778 [0,1,0,0,0,0|2,0,0]=3 478 B9R0.23 COC(=O)C(N)CC(=O)O MCULE-7519781259 [0,1,0,0,0,0|1,0,0]=2 479 B9R0.23 COC(=O)C(N)CC(C)C MCULE-1433046496 [0,1,0,0,0,0|3,0,0]=4 480 B9R0.23 COC(=O)C(N)CC(C)C MCULE-1553759943 [0,1,0,0,0,0|3,0,0]=4 481 B9R0.23 COC(=O)C(N)CC(C)C MCULE-4557025081 [0,1,0,0,0,0|3,0,0]=4 482 B9R0.23 COC(=O)C(N)CC(C)C MCULE-8510501543 [0,1,0,0,0,0|3,0,0]=4 483 B9R0.23 COC(=O)C(N)CC(F)F MCULE-3550560326 [0,1,0,0,0,0|3,0,0]=4 484 B9R0.23 COC(=O)C(N)CC(F)F MCULE-5671328379 [0,1,0,0,0,0|3,0,0]=4 485 B9R0.23 COC(=O)C(N)CN(C)C MCULE-3941198962 [0,1,0,0,0,0|3,0,0]=4 486 B9R0.23 COC(=O)C(N)CN(C)C MCULE-4688594748 [0,1,0,0,0,0|3,0,0]=4 487 B9R0.23 COC(=O)N(C)CC(=O)O MCULE-6066208018 [0,1,0,0,0,0|3,0,0]=4 488 B9R0.23 COC(=O)[C@@H](C)CC(=O)O MCULE-8145746541 [0,1,0,0,0,0|2,0,0]=3 489 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-2903193624 [0,1,0,0,0,0|2,0,0]=3 490 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3686406545 [0,1,0,0,0,0|2,0,0]=3 491 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3726434187 [0,1,0,0,0,0|2,0,0]=3 492 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-9719605200 [0,1,0,0,0,0|2,0,0]=3 493 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-2094999701 [0,1,0,0,0,0|1,0,0]=2 494 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-9407721038 [0,1,0,0,0,0|1,0,0]=2 495 B9R0.23 COC(=O)[C@@H](N)CC(C)C MCULE-1309132346 [0,1,0,0,0,0|3,0,0]=4 496 B9R0.23 COC(=O)[C@@H](N)CC(C)C MCULE-6938469474 [0,1,0,0,0,0|3,0,0]=4 497 B9R0.23 COC(=O)[C@@H](N)CC(C)C MCULE-7583568111 [0,1,0,0,0,0|3,0,0]=4 498 B9R0.23 COC(=O)[C@@H](N)CC(C)C MCULE-7793954010 [0,1,0,0,0,0|3,0,0]=4 499 B9R0.23 COC(=O)[C@@H](N)CC(F)F MCULE-3708128404 [0,1,0,0,0,0|3,0,0]=4 500 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4149383309 [0,1,0,0,0,0|2,0,0]=3 501 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4834047702 [0,1,0,0,0,0|2,0,0]=3 502 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3007207072 [0,1,0,0,0,0|2,0,0]=3 503 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3103219361 [0,1,0,0,0,0|2,0,0]=3 504 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-6097450650 [0,1,0,0,0,0|2,0,0]=3 505 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-7427879831 [0,1,0,0,0,0|2,0,0]=3 506 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-1453787543 [0,1,0,0,0,0|1,0,0]=2 507 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8348108837 [0,1,0,0,0,0|1,0,0]=2 508 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8725707708 [0,1,0,0,0,0|1,0,0]=2 509 B9R0.23 COC(=O)[C@H](N)CC(C)C MCULE-2152247835 [0,1,0,0,0,0|3,0,0]=4 510 B9R0.23 COC(=O)[C@H](N)CC(C)C MCULE-2779062182 [0,1,0,0,0,0|3,0,0]=4 511 B9R0.23 COC(=O)[C@H](N)CC(C)C MCULE-7100635788 [0,1,0,0,0,0|3,0,0]=4 512 B9R0.23 COC(=O)[C@H](N)CC(C)C MCULE-8729140960 [0,1,0,0,0,0|3,0,0]=4 513 B9R0.23 COC(=O)[C@H](N)CC(F)F MCULE-9898046452 [0,1,0,0,0,0|3,0,0]=4 514 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-2124989741 [0,1,0,0,0,0|2,0,0]=3 515 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-9803650256 [0,1,0,0,0,0|2,0,0]=3 516 B9R0.23 O=C(O)CC(Br)C(=O)CBr MCULE-5319460867 [0,1,0,0,0,0|3,0,0]=4 517 B9R0.23 [C@H](N)(CC(=O)O)C(=O)OC MCULE-3013306674 [0,1,0,0,0,0|1,0,0]=2 518 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-3679366313 [0,1,0,0,0,0|3,0,0]=4 519 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-4357118038 [0,1,0,0,0,0|3,0,0]=4 520 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-5464779902 [0,1,0,0,0,0|3,0,0]=4 521 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-1199418849 [0,1,0,0,0,0|3,0,0]=4 522 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-2007636867 [0,1,0,0,0,0|3,0,0]=4 523 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-3151357434 [0,1,0,0,0,0|3,0,0]=4 524 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-6826376648 [0,1,0,0,0,0|3,0,0]=4 525 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-1897946062 [0,1,0,0,0,0|3,0,0]=4 526 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5204739284 [0,1,0,0,0,0|3,0,0]=4 527 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5587093761 [0,1,0,0,0,0|3,0,0]=4 528 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-6247275234 [0,1,0,0,0,0|3,0,0]=4 529 B9R0.39 CC=C(CC(=O)O)C(=O)O MCULE-9255608800 [0,1,0,0,0,0|2,0,1]=4 530 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [0,1,0,0,0,0|2,0,0]=3 531 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [0,1,0,0,0,0|1,0,0]=2 532 B9R0.39 CNC(CC(C)C)C(=O)O MCULE-4940999271 [0,1,0,0,0,0|3,0,0]=4 533 B9R0.39 CNC(CC(C)C)C(=O)O MCULE-7266045564 [0,1,0,0,0,0|3,0,0]=4 534 B9R0.39 CN[C@@H](CC(=O)N)C(=O)O MCULE-2449462396 [0,1,0,0,0,0|2,0,0]=3 535 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [0,1,0,0,0,0|1,0,0]=2 536 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [0,1,0,0,0,0|1,0,0]=2 537 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [0,1,0,0,0,0|1,0,0]=2 538 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-2758691344 [0,1,0,0,0,0|3,0,0]=4 539 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-3349649810 [0,1,0,0,0,0|3,0,0]=4 540 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-4487326533 [0,1,0,0,0,0|3,0,0]=4 541 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-7740057854 [0,1,0,0,0,0|3,0,0]=4 542 B9R0.39 CN[C@H](CC(=O)N)C(=O)O MCULE-2092394249 [0,1,0,0,0,0|2,0,0]=3 543 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [0,1,0,0,0,0|1,0,0]=2 544 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [0,1,0,0,0,0|1,0,0]=2 545 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [0,1,0,0,0,0|1,0,0]=2 546 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2279011654 [0,1,0,0,0,0|3,0,0]=4 547 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2290136385 [0,1,0,0,0,0|3,0,0]=4 548 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2552934491 [0,1,0,0,0,0|3,0,0]=4 549 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-8319051174 [0,1,0,0,0,0|3,0,0]=4 550 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [0,1,0,0,0,0|2,0,0]=3 551 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [0,1,0,0,0,0|1,0,0]=2 552 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [0,1,0,0,0,0|1,0,0]=2 553 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [0,1,0,0,0,0|2,0,0]=3 554 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [0,1,0,0,0,0|2,0,0]=3 555 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [0,1,0,0,0,0|1,0,0]=2 556 B9R0.42 C=C(CC(=O)OC)C(=O)O MCULE-1728748664 [0,1,0,0,0,0|2,0,1]=4 557 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [0,1,0,0,0,0|2,0,0]=3 558 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [0,1,0,0,0,0|2,0,0]=3 559 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [0,1,0,0,0,0|2,0,0]=3 560 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-1321158720 [0,1,0,0,0,0|3,0,0]=4 561 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-9833457318 [0,1,0,0,0,0|3,0,0]=4 562 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [0,1,0,0,0,0|2,0,0]=3 563 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [0,1,0,0,0,0|2,0,0]=3 564 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [0,1,0,0,0,0|2,0,0]=3 565 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [0,1,0,0,0,0|2,0,0]=3 566 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [0,1,0,0,0,0|2,0,0]=3 567 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [0,1,0,0,0,0|2,0,0]=3 568 B9R0.42 COC(=O)CC(=O)C(=O)O MCULE-5008305161 [0,1,0,0,0,0|2,0,1]=4 569 B9R0.42 COC(=O)CC(Br)C(=O)C MCULE-7344095898 [0,1,0,0,0,0|3,0,0]=4 570 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-5595331018 [0,1,0,0,0,0|2,0,0]=3 571 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-9262719853 [0,1,0,0,0,0|2,0,0]=3 572 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [0,1,0,0,0,0|1,0,0]=2 573 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [0,1,0,0,0,0|1,0,0]=2 574 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [0,1,0,0,0,0|1,0,0]=2 575 B9R0.42 COC(=O)CC(O)C(=O)O MCULE-7105554854 [0,1,0,0,0,0|2,0,0]=3 576 B9R0.42 COC(=O)C[C@@H](C)C(=O)Cl MCULE-7326666072 [0,1,0,0,0,0|3,0,0]=4 577 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-4861767896 [0,1,0,0,0,0|2,0,0]=3 578 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-6107558545 [0,1,0,0,0,0|2,0,0]=3 579 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [0,1,0,0,0,0|1,0,0]=2 580 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [0,1,0,0,0,0|1,0,0]=2 581 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [0,1,0,0,0,0|1,0,0]=2 582 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [0,1,0,0,0,0|1,0,0]=2 583 B9R0.42 COC(=O)C[C@@H](O)C(=O)O MCULE-8916007864 [0,1,0,0,0,0|2,0,0]=3 584 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-1205037322 [0,1,0,0,0,0|2,0,0]=3 585 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-7536209773 [0,1,0,0,0,0|2,0,0]=3 586 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [0,1,0,0,0,0|1,0,0]=2 587 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [0,1,0,0,0,0|1,0,0]=2 588 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [0,1,0,0,0,0|1,0,0]=2 589 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [0,1,0,0,0,0|1,0,0]=2 590 B9R0.42 COC(=O)C[C@H](O)C(=O)O MCULE-9897810817 [0,1,0,0,0,0|2,0,0]=3 591 B9R0.42 COC(=O)NC(C)C(=O)O MCULE-9255316794 [0,1,0,0,0,0|3,0,0]=4 592 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-3970003504 [0,1,0,0,0,0|3,0,0]=4 593 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-7941497211 [0,1,0,0,0,0|3,0,0]=4 594 B9R0.42 NC(CN(O)N=O)C(=O)O MCULE-5880257959 [0,1,0,0,0,0|1,0,0]=2 595 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [0,1,0,0,0,0|2,0,0]=3 596 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [0,1,0,0,0,0|2,0,0]=3 597 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [0,1,0,0,0,0|1,0,0]=2 598 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O MCULE-5513289219 [0,1,0,0,0,0|1,0,0]=2 599 B9R0.42 [C@H](N)(CN(O)N=O)C(=O)O MCULE-4128156769 [0,1,0,0,0,0|1,0,0]=2 600 B9R0.57 CC(C)(C)CC(N)C(=O)O MCULE-1846409149 [0,1,0,0,0,0|3,0,0]=4 601 B9R0.57 CC(C)(C)CC(N)C(=O)O MCULE-6496394437 [0,1,0,0,0,0|3,0,0]=4 602 B9R0.57 CC(C)(C)CC(N)C(=O)O MCULE-6507277407 [0,1,0,0,0,0|3,0,0]=4 603 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O MCULE-6215032420 [0,1,0,0,0,0|3,0,0]=4 604 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O MCULE-8005575699 [0,1,0,0,0,0|3,0,0]=4 605 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O MCULE-1515081556 [0,1,0,0,0,0|3,0,0]=4 606 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O MCULE-3358775275 [0,1,0,0,0,0|3,0,0]=4 607 B9R0.57 CC(C)(F)CC(N)C(=O)O MCULE-2499553394 [0,1,0,0,0,0|3,0,0]=4 608 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O MCULE-2670827731 [0,1,0,0,0,0|3,0,0]=4 609 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O MCULE-7946625431 [0,1,0,0,0,0|3,0,0]=4 610 B9R0.57 CC(C)(O)CC(N)C(=O)[O-] MCULE-2378112153 [0,1,0,0,0,0|2,0,1]=4 611 B9R0.57 CC(C)(O)CC(N)C(=O)[O-] MCULE-2969041989 [0,1,0,0,0,0|2,0,1]=4 612 B9R0.57 CC(CS(=O)(=O)C)C(=O)O MCULE-2992876868 [0,1,0,0,0,0|1,0,2]=4 613 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-1117561111 [0,1,0,0,0,0|0,0,2]=3 614 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-3044564695 [0,1,0,0,0,0|0,0,2]=3 615 B9R0.57 C[Si](C)(C)C[C@H](N)C(=O)O MCULE-5057039244 [0,1,0,0,0,0|3,0,0]=4 616 B9R0.57 NC(CC(F)(F)F)C(=O)O MCULE-4670432872 [0,1,0,0,0,0|3,0,0]=4 617 B9R0.57 NC(CC(F)(F)F)C(=O)O MCULE-7906484739 [0,1,0,0,0,0|3,0,0]=4 618 B9R0.57 NC(CP(=O)(O)O)C(=O)O MCULE-3742656954 [0,1,0,0,0,0|1,0,0]=2 619 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-3360025136 [0,1,0,0,0,0|0,0,1]=2 620 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-4680118250 [0,1,0,0,0,0|0,0,1]=2 621 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O MCULE-3474800558 [0,1,0,0,0,0|3,0,0]=4 622 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O MCULE-5230934404 [0,1,0,0,0,0|3,0,0]=4 623 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O MCULE-6065207677 [0,1,0,0,0,0|3,0,0]=4 624 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O MCULE-6989845390 [0,1,0,0,0,0|3,0,0]=4 625 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O MCULE-6935567843 [0,1,0,0,0,0|1,0,0]=2 626 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-1558128725 [0,1,0,0,0,0|0,0,1]=2 627 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-6109276112 [0,1,0,0,0,0|0,0,1]=2 628 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O MCULE-1211212478 [0,1,0,0,0,0|3,0,0]=4 629 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O MCULE-1864367361 [0,1,0,0,0,0|3,0,0]=4 630 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O MCULE-4616647635 [0,1,0,0,0,0|3,0,0]=4 631 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O MCULE-6212697927 [0,1,0,0,0,0|3,0,0]=4 632 B9R0.57 O=C(O)C(O)OP(=O)(O)O MCULE-2072428473 [0,1,0,0,0,0|3,0,0]=4 633 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [0,1,0,0,0,0|2,0,0]=3 634 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [0,1,0,0,0,0|1,0,0]=2 635 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [0,1,0,0,0,0|2,0,0]=3 636 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [0,1,0,0,0,0|1,0,0]=2 637 B9R0.79 CC(C)C(O)C(N)C(=O)O MCULE-8766263714 [0,1,0,0,0,0|3,0,0]=4 638 B9R0.79 CC(C)C(O)[C@H](N)C(=O)O MCULE-5332720895 [0,1,0,0,0,0|3,0,0]=4 639 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(=O)O MCULE-2425417830 [0,1,0,0,0,0|3,0,0]=4 640 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-5438285037 [0,1,0,0,0,0|3,0,0]=4 641 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-6278820254 [0,1,0,0,0,0|3,0,0]=4 642 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-7542741263 [0,1,0,0,0,0|3,0,0]=4 643 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-8101644962 [0,1,0,0,0,0|3,0,0]=4 644 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-6429723072 [0,1,0,0,0,0|3,0,0]=4 645 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-8455636907 [0,1,0,0,0,0|3,0,0]=4 646 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9657202987 [0,1,0,0,0,0|3,0,0]=4 647 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9762128000 [0,1,0,0,0,0|3,0,0]=4 648 B9R0.79 CC(O)C(C)C(N)C(=O)O MCULE-2897656809 [0,1,0,0,0,0|2,0,0]=3 649 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-6535308910 [0,1,0,0,0,0|2,0,0]=3 650 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-8450789997 [0,1,0,0,0,0|2,0,0]=3 651 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [0,1,0,0,0,0|2,0,0]=3 652 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [0,1,0,0,0,0|1,0,0]=2 653 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,1,0,0,0,0|1,0,0]=2 654 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-1376333194 [0,1,0,0,0,0|2,0,0]=3 655 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-4005119004 [0,1,0,0,0,0|2,0,0]=3 656 B9R0.79 NC(C(=O)O)C(N)C(=O)O MCULE-8316230798 [0,1,0,0,0,0|1,0,0]=2 657 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [0,1,0,0,0,0|1,0,0]=2 658 B9R0.79 N[C@@H](C(=O)O)[C@@H](F)C(=O)O MCULE-2171226271 [0,1,0,0,0,0|1,0,0]=2 659 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-6540811499 [0,1,0,0,0,0|1,0,0]=2 660 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [0,1,0,0,0,0|1,0,0]=2 661 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [0,1,0,0,0,0|1,0,0]=2 662 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O MCULE-5784765255 [0,1,0,0,0,0|2,0,0]=3 663 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-1129308393 [0,1,0,0,0,0|2,0,0]=3 664 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [0,1,0,0,0,0|2,0,0]=3 665 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [0,1,0,0,0,0|2,0,0]=3 666 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [0,1,0,0,0,0|2,0,0]=3 667 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [0,1,0,0,0,0|2,0,0]=3 668 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [0,1,0,0,0,0|2,0,0]=3 669 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [0,1,0,0,0,0|2,0,0]=3 670 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [0,1,0,0,0,0|2,0,0]=3 671 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [0,1,0,0,0,0|2,0,0]=3 672 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [0,1,0,0,0,0|2,0,0]=3 673 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [0,1,0,0,0,0|2,0,0]=3 674 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [0,1,0,0,0,0|2,0,0]=3 675 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [0,1,0,0,0,0|2,0,0]=3 676 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [0,1,0,0,0,0|2,0,0]=3 677 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [0,1,0,0,0,0|2,0,0]=3 678 B9R0.79 O=C(O)C(S)C(S)C(=O)O MCULE-6206640169 [0,1,0,0,0,0|2,0,0]=3 679 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [0,1,0,0,0,0|2,0,0]=3 680 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [0,1,0,0,0,0|2,0,0]=3 681 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [0,1,0,0,0,0|2,0,0]=3 682 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [0,1,0,0,0,0|2,0,0]=3 683 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [0,1,0,0,0,0|2,0,0]=3 684 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [0,1,0,0,0,0|2,0,0]=3 685 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [0,1,0,0,0,0|2,0,0]=3 686 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [0,1,0,0,0,0|2,0,0]=3 687 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O MCULE-4542712392 [0,1,0,0,0,0|2,0,0]=3 688 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-1568229930 [0,1,0,0,0,0|2,0,0]=3 689 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [0,1,0,0,0,0|2,0,0]=3 690 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [0,1,0,0,0,0|2,0,0]=3 691 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [0,1,0,0,0,0|2,0,0]=3 692 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [0,1,0,0,0,0|2,0,0]=3 693 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [0,1,0,0,0,0|2,0,0]=3 694 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O MCULE-4953802229 [0,1,0,0,0,0|2,0,0]=3 695 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-7425540478 [0,1,0,0,0,0|2,0,1]=4 696 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-8338522673 [0,1,0,0,0,0|2,0,1]=4 697 B9R0.79 O=C([O-])[C@@H](O)[C@H](O)C(=O)O MCULE-2803273406 [0,1,0,0,0,0|2,0,1]=4 698 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-3429484887 [0,1,0,0,0,0|2,0,1]=4 699 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-5385898917 [0,1,0,0,0,0|2,0,1]=4 700 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-9680288022 [0,1,0,0,0,0|2,0,1]=4 701 B9R0.79 [C@@H](N)(C(=O)O)[C@@H](C)C(C)O MCULE-7488780154 [0,1,0,0,0,0|2,0,0]=3 702 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [0,1,0,0,0,0|2,0,0]=3 703 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [0,1,0,0,0,0|2,0,0]=3 704 B9R0.79 [C@H](O)(C(=O)[O-])[C@@H](O)C(=O)O MCULE-7449957572 [0,1,0,0,0,0|2,0,1]=4 705 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,0,0,1,0,0|3,0,0]=4 706 B9R1.35 CC(=O)C1COC(=O)C1 MCULE-4262262510 [0,0,0,1,0,0|3,0,0]=4 707 B9R1.35 CC1CC(CO1)C(=O)O MCULE-6422706201 [0,0,0,1,0,0|3,0,0]=4 708 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [0,0,0,1,0,0|3,0,0]=4 709 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [0,0,0,1,0,0|3,0,0]=4 710 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [0,0,0,1,0,0|3,0,0]=4 711 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [0,0,0,1,0,0|3,0,0]=4 712 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [0,0,0,1,0,0|3,0,0]=4 713 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [0,0,0,1,0,0|3,0,0]=4 714 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [0,0,0,1,0,0|3,0,0]=4 715 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [0,0,0,1,0,0|3,0,0]=4 716 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [0,0,0,1,0,0|3,0,0]=4 717 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [0,0,0,1,0,0|3,0,0]=4 718 B9R1.35 NC(=O)C1CC(CN1)O MCULE-8628888959 [0,0,0,1,0,0|3,0,0]=4 719 B9R1.35 NC(=O)C1CC(CN1)O MCULE-9327040437 [0,0,0,1,0,0|3,0,0]=4 720 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)O MCULE-1506534259 [0,0,0,1,0,0|3,0,0]=4 721 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)O MCULE-4335155413 [0,0,0,1,0,0|3,0,0]=4 722 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-1442980635 [0,0,0,1,0,0|3,0,0]=4 723 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-4854132547 [0,0,0,1,0,0|3,0,0]=4 724 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-8175631848 [0,0,0,1,0,0|3,0,0]=4 725 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-9092665787 [0,0,0,1,0,0|3,0,0]=4 726 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-1212665796 [0,0,0,1,0,0|3,0,0]=4 727 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-2172080185 [0,0,0,1,0,0|3,0,0]=4 728 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-2463066874 [0,0,0,1,0,0|3,0,0]=4 729 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-7245012102 [0,0,0,1,0,0|3,0,0]=4 730 B9R1.35 NC1CNC(C1)C(=O)O MCULE-1416144501 [0,0,0,1,0,0|3,0,0]=4 731 B9R1.35 NC1CNC(C1)C(=O)O MCULE-4706388278 [0,0,0,1,0,0|3,0,0]=4 732 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-4990800122 [0,0,0,1,0,0|3,0,0]=4 733 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-5172267597 [0,0,0,1,0,0|3,0,0]=4 734 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7010431429 [0,0,0,1,0,0|3,0,0]=4 735 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8754522437 [0,0,0,1,0,0|3,0,0]=4 736 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-4906071490 [0,0,0,1,0,0|3,0,0]=4 737 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-7656739611 [0,0,0,1,0,0|3,0,0]=4 738 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-8732136397 [0,0,0,1,0,0|3,0,0]=4 739 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-9871023526 [0,0,0,1,0,0|3,0,0]=4 740 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1698400731 [0,0,0,1,0,0|3,0,0]=4 741 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1983861108 [0,0,0,1,0,0|3,0,0]=4 742 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-2838978471 [0,0,0,1,0,0|3,0,0]=4 743 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5103662767 [0,0,0,1,0,0|3,0,0]=4 744 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5299594489 [0,0,0,1,0,0|3,0,0]=4 745 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-6235136925 [0,0,0,1,0,0|3,0,0]=4 746 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-8629641721 [0,0,0,1,0,0|3,0,0]=4 747 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-2973551231 [0,0,0,1,0,0|3,0,0]=4 748 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-3190600485 [0,0,0,1,0,0|3,0,0]=4 749 B9R1.35 O=C(O)C1CC(CN1)Br MCULE-3420644560 [0,0,0,1,0,0|3,0,0]=4 750 B9R1.35 O=C(O)C1CC(CN1)F MCULE-1909829604 [0,0,0,1,0,0|3,0,0]=4 751 B9R1.35 O=C(O)C1CC(CN1)F MCULE-4908563055 [0,0,0,1,0,0|3,0,0]=4 752 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [0,0,0,1,0,0|2,0,0]=3 753 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [0,0,0,1,0,0|2,0,0]=3 754 B9R1.35 O=C(O)C1CC(CN1)S MCULE-3928449068 [0,0,0,1,0,0|2,1,0]=4 755 B9R1.35 O=C(O)C1CC(CN1)S MCULE-7523385510 [0,0,0,1,0,0|2,1,0]=4 756 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,0,0,1,0,0|3,0,0]=4 757 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [0,0,0,1,0,0|2,0,0]=3 758 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6078892837 [0,0,0,1,0,0|2,1,0]=4 759 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6607761456 [0,0,0,1,0,0|2,1,0]=4 760 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,0,0,1,0,0|3,0,0]=4 761 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,0,0,1,0,0|3,0,0]=4 762 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,0,0,1,0,0|3,0,0]=4 763 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-2600938020 [0,0,0,1,0,0|3,0,0]=4 764 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-3945615781 [0,0,0,1,0,0|3,0,0]=4 765 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-2626475344 [0,0,0,1,0,0|3,0,0]=4 766 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-4367319835 [0,0,0,1,0,0|3,0,0]=4 767 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9011373659 [0,0,0,1,0,0|3,0,0]=4 768 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9484602400 [0,0,0,1,0,0|3,0,0]=4 769 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [0,0,0,1,0,0|2,0,0]=3 770 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [0,0,0,1,0,0|2,0,0]=3 771 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [0,0,0,1,0,0|2,0,0]=3 772 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [0,0,0,1,0,0|2,0,0]=3 773 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [0,0,0,1,0,0|2,0,0]=3 774 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-5195240463 [0,0,0,1,0,0|2,1,0]=4 775 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6442187313 [0,0,0,1,0,0|2,1,0]=4 776 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6472004515 [0,0,0,1,0,0|2,1,0]=4 777 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-8668690351 [0,0,0,1,0,0|2,1,0]=4 778 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-2784186920 [0,0,0,1,0,0|3,0,0]=4 779 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-5745425542 [0,0,0,1,0,0|3,0,0]=4 780 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9253930917 [0,0,0,1,0,0|3,0,0]=4 781 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9892414269 [0,0,0,1,0,0|3,0,0]=4 782 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [0,0,0,1,0,0|2,0,0]=3 783 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [0,0,0,1,0,0|2,0,0]=3 784 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [0,0,0,1,0,0|2,0,0]=3 785 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [0,0,0,1,0,0|2,0,0]=3 786 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-1140594774 [0,0,0,1,0,0|2,1,0]=4 787 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2383846785 [0,0,0,1,0,0|2,1,0]=4 788 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2747224270 [0,0,0,1,0,0|2,1,0]=4 789 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-5598470577 [0,0,0,1,0,0|2,1,0]=4 790 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-7268471922 [0,0,0,1,0,0|2,1,0]=4 791 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-9896850390 [0,0,0,1,0,0|2,1,0]=4 792 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,0,0,1,0,0|3,0,0]=4 793 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,0,0,1,0,0|3,0,0]=4 794 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,0,0,1,0,0|3,0,0]=4 795 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-1499004749 [0,0,0,1,0,0|3,0,0]=4 796 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-4961028667 [0,0,0,1,0,0|3,0,0]=4 797 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-9323854334 [0,0,0,1,0,0|3,0,0]=4 798 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [0,0,0,1,0,0|2,0,0]=3 799 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [0,0,0,1,0,0|2,0,0]=3 800 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [0,0,0,1,0,0|2,0,0]=3 801 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [0,0,0,1,0,0|2,0,0]=3 802 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [0,0,0,1,0,0|2,0,0]=3 803 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-1326882154 [0,0,0,1,0,0|3,0,0]=4 804 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-4409765623 [0,0,0,1,0,0|3,0,0]=4 805 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-5169579313 [0,0,0,1,0,0|3,0,0]=4 806 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-8834390438 [0,0,0,1,0,0|3,0,0]=4 807 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [0,0,0,1,0,0|2,0,0]=3 808 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [0,0,0,1,0,0|2,0,0]=3 809 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [0,0,0,1,0,0|2,0,0]=3 810 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [0,0,0,1,0,0|2,0,0]=3 811 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [0,0,0,1,0,0|3,0,0]=4 812 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [0,0,0,1,0,0|2,0,0]=3 813 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [0,0,0,1,0,0|2,1,0]=4 814 B9R1.35 O=C1CC(NN1)C(=O)O MCULE-3197471189 [0,0,0,1,0,0|2,0,0]=3 815 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,0,0,1,0,0|3,0,0]=4 816 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,0,0,1,0,0|3,0,0]=4 817 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,0,0,1,0,0|3,0,0]=4 818 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,0,0,1,0,0|3,0,0]=4 819 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,0,0,1,0,0|3,0,0]=4 820 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [0,0,0,1,0,0|2,0,0]=3 821 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [0,0,0,1,0,0|2,0,0]=3 822 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [0,0,0,1,0,0|2,0,0]=3 823 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [0,0,0,1,0,0|2,0,0]=3 824 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [0,0,0,1,0,0|2,0,0]=3 825 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [0,0,0,1,0,0|2,0,0]=3 826 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [0,0,0,1,0,0|2,0,0]=3 827 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [0,0,0,1,0,0|2,0,0]=3 828 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [0,0,0,1,0,0|3,0,0]=4 829 B9R1.35 O=C1CSC(C1)C(=O)O MCULE-3309649635 [0,0,0,1,0,0|3,0,0]=4 830 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [0,0,0,1,0,0|3,0,0]=4 831 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [0,0,0,1,0,0|3,0,0]=4 832 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [0,0,0,1,0,0|3,0,0]=4 833 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [0,0,0,1,0,0|3,0,0]=4 834 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [0,0,0,1,0,0|3,0,0]=4 835 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [0,0,0,1,0,0|3,0,0]=4 836 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [0,0,0,1,0,0|3,0,0]=4 837 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [0,0,0,1,0,0|3,0,0]=4 838 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [0,0,0,1,0,0|3,0,0]=4 839 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [0,0,0,1,0,0|3,0,0]=4 840 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [0,0,0,1,0,0|2,0,0]=3 841 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-1784559931 [0,0,0,1,0,0|3,0,0]=4 842 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-8392302309 [0,0,0,1,0,0|3,0,0]=4 843 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)S MCULE-7662717521 [0,0,0,1,0,0|2,1,0]=4 844 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-2026019561 [0,0,0,1,0,0|3,0,0]=4 845 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-8023038198 [0,0,0,1,0,0|3,0,0]=4 846 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [0,0,0,1,0,0|2,0,0]=3 847 B9R1.36 CC1(CC(C(=O)O1)N)C MCULE-7823096614 [0,0,0,1,0,0|3,0,0]=4 848 B9R1.36 CC1(CC(C(=O)O1)N)C MCULE-8973330971 [0,0,0,1,0,0|3,0,0]=4 849 B9R1.36 NC1CS(=O)(=O)NC1=O MCULE-5308687626 [0,0,0,1,0,0|1,0,2]=4 850 B9R1.36 NC1CS(=O)(=O)NC1=O MCULE-7250097397 [0,0,0,1,0,0|1,0,2]=4 851 B9R1.45 C=C1CC1C(N)C(=O)O MCULE-7249491598 [0,0,0,1,0,0|3,0,0]=4 852 B9R1.69 N[C@H]1C[C@H](CNC1=O)O MCULE-9955363059 [0,0,0,1,0,0|3,0,0]=4 853 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2093088646 [0,0,0,1,0,0|3,0,0]=4 854 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2184599799 [0,0,0,1,0,0|3,0,0]=4 855 B9R1.112 NC(CC1CC1)C(=O)O MCULE-6147797529 [0,0,0,1,0,0|3,0,0]=4 856 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-6048291861 [0,0,0,1,0,0|3,0,0]=4 857 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-9266785362 [0,0,0,1,0,0|3,0,0]=4 858 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-5333410932 [0,0,0,1,0,0|3,0,0]=4 859 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-6150609140 [0,0,0,1,0,0|3,0,0]=4 860 B9R1.152 CC1(CC(=O)C1)C(=O)O MCULE-5766836727 [0,0,0,1,0,0|3,0,0]=4 861 B9R1.152 C[C@H]1C[C@@](C1)(N)C(=O)O MCULE-7807418833 [0,0,0,1,0,0|3,0,0]=4 862 B9R1.152 C[C@H]1C[C@](C1)(N)C(=O)O MCULE-2634950955 [0,0,0,1,0,0|3,0,0]=4 863 B9R1.152 NC1(CC(C1)F)C(=O)O MCULE-5206815009 [0,0,0,1,0,0|3,0,0]=4 864 B9R1.152 NC1(CC(C1)F)C(=O)O MCULE-9944960595 [0,0,0,1,0,0|3,0,0]=4 865 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8304595021 [0,0,0,1,0,0|2,0,0]=3 866 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8353432396 [0,0,0,1,0,0|2,0,0]=3 867 B9R1.152 N[C@@]1(C[C@@H](C1)F)C(=O)O MCULE-3535102578 [0,0,0,1,0,0|3,0,0]=4 868 B9R1.152 N[C@@]1(C[C@@H](C1)O)C(=O)O MCULE-3919423791 [0,0,0,1,0,0|2,0,0]=3 869 B9R1.152 N[C@@]1(C[C@H](C1)F)C(=O)O MCULE-4417403698 [0,0,0,1,0,0|3,0,0]=4 870 B9R1.152 O=C(O)C1(CC(C1)O)O MCULE-4321795643 [0,0,0,1,0,0|3,0,0]=4 871 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)F MCULE-1599041261 [0,0,0,1,0,0|3,0,0]=4 872 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)O MCULE-3005775021 [0,0,0,1,0,0|3,0,0]=4 873 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)F MCULE-8929901678 [0,0,0,1,0,0|3,0,0]=4 874 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)O MCULE-2152193030 [0,0,0,1,0,0|3,0,0]=4 875 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [0,0,0,1,0,0|3,0,0]=4 876 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [0,0,0,1,0,0|2,0,0]=3 877 B9R1.161 O=C(O)C1CC1N(=O)=O MCULE-4711426088 [0,0,0,1,0,0|2,0,1]=4 878 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [0,0,0,1,0,0|2,0,0]=3 879 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [0,0,0,1,0,0|2,0,0]=3 880 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [0,0,0,1,0,0|2,0,0]=3 881 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [0,0,0,1,0,0|2,0,0]=3 882 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [0,0,0,1,0,0|2,0,0]=3 883 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [0,0,0,1,0,0|2,0,0]=3 884 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [0,0,0,1,0,0|2,0,0]=3 885 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [0,0,0,1,0,0|2,0,0]=3 886 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] MCULE-1350888359 [0,0,0,1,0,0|2,0,1]=4 887 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [0,0,0,1,0,0|2,0,0]=3 888 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [0,0,0,1,0,0|2,0,0]=3 889 B9R1.164 CC1(CC(C1)C(=O)O)O MCULE-2222519984 [0,0,0,1,0,0|3,0,0]=4 890 B9R1.164 C[C@@]1(C[C@@H](C1)C(=O)O)O MCULE-4467958139 [0,0,0,1,0,0|3,0,0]=4 891 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)O)O MCULE-3757447768 [0,0,0,1,0,0|3,0,0]=4 892 B9R1.164 O=C(O)C1CS(=O)(=O)C1 MCULE-7280424141 [0,0,0,1,0,0|1,0,2]=4 893 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [0,0,0,0,1,0|2,0,1]=4 894 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,0,0,0,1,0|3,0,0]=4 895 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,0,0,0,1,0|3,0,0]=4 896 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,0,0,0,1,0|3,0,0]=4 897 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,0,0,0,1,0|3,0,0]=4 898 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,0,0,0,1,0|3,0,0]=4 899 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,0,0,0,1,0|3,0,0]=4 900 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,0,0,0,1,0|3,0,0]=4 901 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,0,0,0,1,0|3,0,0]=4 902 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,0,0,0,1,0|3,0,0]=4 903 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,0,0,0,1,0|3,0,0]=4 904 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,0,0,0,1,0|2,0,0]=3 905 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,0,0,0,1,0|3,0,0]=4 906 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,0,0,0,1,0|3,0,0]=4 907 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,0,0,0,1,0|3,0,0]=4 908 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,0,0,0,1,0|3,0,0]=4 909 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,0,0,0,1,0|3,0,0]=4 910 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,0,0,0,1,0|3,0,0]=4 911 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,0,0,0,1,0|3,0,0]=4 912 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,0,0,0,1,0|3,0,0]=4 913 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [0,0,0,0,1,0|3,0,0]=4 914 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [0,0,0,0,1,0|3,0,0]=4 915 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,0,0,0,1,0|2,0,0]=3 916 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,0,0,0,1,0|2,0,0]=3 917 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,0,0,0,1,0|3,0,0]=4 918 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,0,0,0,1,0|2,0,0]=3 919 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,0,0,0,1,0|2,0,0]=3 920 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,0,0,0,1,0|2,0,0]=3 921 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,0,0,0,1,0|2,0,0]=3 922 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [0,0,0,0,1,0|3,0,0]=4 923 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [0,0,0,0,1,0|3,0,0]=4 924 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [0,0,0,0,1,0|3,0,0]=4 925 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [0,0,0,0,1,0|3,0,0]=4 926 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [0,0,0,0,1,0|3,0,0]=4 927 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [0,0,0,0,1,0|3,0,0]=4 928 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,0,0,0,1,0|2,0,0]=3 929 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,0,0,0,1,0|2,0,0]=3 930 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,0,0,0,1,0|2,0,0]=3 931 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,0,0,0,1,0|2,0,0]=3 932 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,0,0,0,1,0|2,0,0]=3 933 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,0,0,0,1,0|3,0,0]=4 934 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,0,0,0,1,0|3,0,0]=4 935 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,0,0,0,1,0|3,0,0]=4 936 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,0,0,0,1,0|3,0,0]=4 937 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,0,0,0,1,0|2,0,0]=3 938 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,0,0,0,1,0|2,0,0]=3 939 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,0,0,0,1,0|2,0,0]=3 940 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,0,0,0,1,0|2,0,0]=3 941 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,0,0,0,1,0|2,0,0]=3 942 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,0,0,0,1,0|2,0,0]=3 943 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [0,0,0,0,1,0|3,0,0]=4 944 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,0,0,0,1,0|1,0,0]=2 945 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [0,0,0,0,1,0|2,0,1]=4 946 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,0,0,0,1,0|2,0,0]=3 947 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,0,0,0,1,0|2,0,0]=3 948 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,0,0,0,1,0|2,0,0]=3 949 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,0,0,0,0,1|1,0,1]=3 950 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,0,0,0,0,1|2,0,1]=4 951 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [0,0,0,0,0,1|3,0,0]=4 952 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [0,0,0,0,0,1|3,0,0]=4 953 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [0,0,0,0,0,1|3,0,0]=4 954 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [0,0,0,0,0,1|3,0,0]=4 955 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,0,0,0,0,1|2,0,0]=3 956 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,0,0,0,0,1|2,0,0]=3 957 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,0,0,0,0,1|2,0,0]=3 958 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,0,0,0,0,1|2,0,0]=3 959 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,0,0,0,0,1|2,0,0]=3 960 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,0,0,0,0,1|2,0,0]=3 961 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,0,0,0,0,1|2,0,0]=3 962 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,0,0,0,0,1|2,0,0]=3 963 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,0,0,0,0,1|2,0,0]=3 964 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,0,0,0,0,1|2,0,0]=3 965 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,0,0,0,0,1|2,0,0]=3 966 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,0,0,0,0,1|2,0,0]=3 967 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [0,0,0,0,0,1|3,0,0]=4 968 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,0,0,0,0,1|2,0,0]=3 969 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,0,0,0,0,1|2,0,0]=3 970 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [0,0,0,0,0,1|3,0,0]=4 971 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [0,0,0,0,0,1|3,0,0]=4 972 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,0,0,0,0,1|2,0,0]=3 973 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,0,0,0,0,1|2,0,0]=3 974 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-1719574078 [0,0,0,0,0,1|3,0,0]=4 975 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7494642848 [0,0,0,0,0,1|3,0,0]=4 976 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7934601656 [0,0,0,0,0,1|3,0,0]=4 977 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-3738071496 [0,0,0,0,0,1|3,0,0]=4 978 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-6646418122 [0,0,0,0,0,1|3,0,0]=4 979 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-1152840736 [0,0,0,0,0,1|3,0,0]=4 980 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-2931632246 [0,0,0,0,0,1|3,0,0]=4 981 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-6463365282 [0,0,0,0,0,1|3,0,0]=4 982 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-7649870164 [0,0,0,0,0,1|3,0,0]=4 983 B9R0.7 CC(C)OC[C@H](N)C(=O)O MCULE-1578143302 [0,0,0,0,0,1|3,0,0]=4 984 B9R0.7 CC(C)SCC(N)C(=O)O MCULE-2486867814 [0,0,0,0,0,1|3,0,0]=4 985 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,0,0,0,0,1|2,0,0]=3 986 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,0,0,0,0,1|2,0,0]=3 987 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [0,0,0,0,0,1|3,0,0]=4 988 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [0,0,0,0,0,1|2,0,0]=3 989 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [0,0,0,0,0,1|2,0,0]=3 990 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [0,0,0,0,0,1|2,0,0]=3 991 B9R0.7 CN(C)CCC(N)C(=O)O MCULE-8874115334 [0,0,0,0,0,1|3,0,0]=4 992 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7859718042 [0,0,0,0,0,1|3,0,0]=4 993 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7883746105 [0,0,0,0,0,1|3,0,0]=4 994 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,0,0,0,0,1|1,0,0]=2 995 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,0,0,0,0,1|1,0,0]=2 996 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,0,0,0,0,1|1,0,0]=2 997 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,0,0,0,0,1|1,0,0]=2 998 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,0,0,0,0,1|1,0,0]=2 999 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,0,0,0,0,1|1,0,0]=2 1000 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,0,0,0,0,1|2,0,0]=3 1001 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,0,0,0,0,1|2,0,0]=3 1002 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,0,0,0,0,1|2,0,0]=3 1003 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O MCULE-1884928652 [0,0,0,0,0,1|2,0,1]=4 1004 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [0,0,0,0,0,1|2,0,0]=3 1005 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [0,0,0,0,0,1|2,0,0]=3 1006 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-1226059178 [0,0,0,0,0,1|2,0,1]=4 1007 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-2190014040 [0,0,0,0,0,1|2,0,1]=4 1008 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-5712047901 [0,0,0,0,0,1|2,0,1]=4 1009 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-6819299220 [0,0,0,0,0,1|2,0,1]=4 1010 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-9030836699 [0,0,0,0,0,1|2,0,1]=4 1011 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-4590755313 [0,0,0,0,0,1|2,0,1]=4 1012 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-5450461647 [0,0,0,0,0,1|2,0,1]=4 1013 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-6366850762 [0,0,0,0,0,1|2,0,1]=4 1014 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-1022001641 [0,0,0,0,0,1|2,0,1]=4 1015 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-2164538601 [0,0,0,0,0,1|2,0,1]=4 1016 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-4494909498 [0,0,0,0,0,1|2,0,1]=4 1017 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-6858051266 [0,0,0,0,0,1|2,0,1]=4 1018 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-7758450855 [0,0,0,0,0,1|2,0,1]=4 1019 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-8877605547 [0,0,0,0,0,1|2,0,1]=4 1020 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-1177262947 [0,0,0,0,0,1|3,0,0]=4 1021 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-2474644851 [0,0,0,0,0,1|3,0,0]=4 1022 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-5671557476 [0,0,0,0,0,1|3,0,0]=4 1023 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3050097417 [0,0,0,0,0,1|3,0,0]=4 1024 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3499032906 [0,0,0,0,0,1|3,0,0]=4 1025 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-4835798272 [0,0,0,0,0,1|3,0,0]=4 1026 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8355456866 [0,0,0,0,0,1|3,0,0]=4 1027 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8635327390 [0,0,0,0,0,1|3,0,0]=4 1028 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,0,0,0,0,1|2,0,0]=3 1029 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,0,0,0,0,1|2,0,0]=3 1030 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,0,0,0,0,1|2,0,0]=3 1031 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3069717045 [0,0,0,0,0,1|3,0,0]=4 1032 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3964283106 [0,0,0,0,0,1|3,0,0]=4 1033 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8749190773 [0,0,0,0,0,1|3,0,0]=4 1034 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8900435477 [0,0,0,0,0,1|3,0,0]=4 1035 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,0,0,0,0,1|2,0,0]=3 1036 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,0,0,0,0,1|2,0,0]=3 1037 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-2293558876 [0,0,0,0,0,1|3,0,0]=4 1038 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-5457304555 [0,0,0,0,0,1|3,0,0]=4 1039 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-7482897734 [0,0,0,0,0,1|3,0,0]=4 1040 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-9074108708 [0,0,0,0,0,1|3,0,0]=4 1041 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,0,0,0,0,1|2,0,0]=3 1042 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,0,0,0,0,1|2,0,0]=3 1043 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,0,0,0,0,1|2,0,0]=3 1044 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,0,0,0,0,1|2,0,0]=3 1045 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,0,0,0,0,1|2,0,0]=3 1046 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [0,0,0,0,0,1|2,0,0]=3 1047 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [0,0,0,0,0,1|2,0,0]=3 1048 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [0,0,0,0,0,1|2,0,0]=3 1049 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,0,0,0,0,1|2,0,0]=3 1050 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,0,0,0,0,1|2,0,0]=3 1051 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,0,0,0,0,1|2,0,0]=3 1052 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,0,0,0,0,1|2,0,0]=3 1053 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,0,0,0,0,1|2,0,0]=3 1054 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,0,0,0,0,1|2,0,0]=3 1055 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,0,0,0,0,1|1,0,0]=2 1056 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,0,0,0,0,1|1,0,0]=2 1057 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,0,0,0,0,1|1,0,0]=2 1058 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,0,0,0,0,1|1,0,1]=3 1059 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,0,0,0,0,1|1,0,0]=2 1060 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,0,0,0,0,1|1,0,0]=2 1061 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,0,0,0,0,1|1,0,0]=2 1062 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,0,0,0,0,1|1,0,0]=2 1063 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,0,0,0,0,1|1,0,0]=2 1064 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [0,0,0,0,0,1|1,0,1]=3 1065 B9R0.7 N[C@@H](CCC(=O)O)C(O)O MCULE-4882070910 [0,0,0,0,0,1|1,0,2]=4 1066 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,0,0,0,0,1|1,0,1]=3 1067 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,0,0,0,0,1|1,0,1]=3 1068 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,0,0,0,0,1|1,0,0]=2 1069 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,0,0,0,0,1|1,0,0]=2 1070 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,0,0,0,0,1|2,0,1]=4 1071 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,0,0,0,0,1|2,0,0]=3 1072 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,0,0,0,0,1|2,0,0]=3 1073 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,0,0,0,0,1|2,0,0]=3 1074 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,0,0,0,0,1|2,0,0]=3 1075 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,0,0,0,0,1|2,0,0]=3 1076 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,0,0,0,0,1|2,0,0]=3 1077 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,0,0,0,0,1|2,0,0]=3 1078 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,0,0,0,0,1|2,0,0]=3 1079 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [0,0,0,0,0,1|2,0,1]=4 1080 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [0,0,0,0,0,1|1,0,0]=2 1081 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,0,0,0,0,1|2,0,0]=3 1082 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,0,0,0,0,1|1,0,0]=2 1083 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,0,0,0,0,1|1,0,0]=2 1084 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,0,0,0,0,1|2,0,0]=3 1085 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O MCULE-1345660635 [0,0,0,0,0,1|2,0,1]=4 1086 B9R0.53 CC(=CC(=O)O)CC(=O)O MCULE-8165055939 [0,0,0,0,0,1|2,0,1]=4 1087 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [0,0,0,0,0,1|3,0,0]=4 1088 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-3491123553 [0,0,0,0,0,1|3,0,0]=4 1089 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-4917004131 [0,0,0,0,0,1|3,0,0]=4 1090 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-9751191377 [0,0,0,0,0,1|3,0,0]=4 1091 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-1906257031 [0,0,0,0,0,1|3,0,0]=4 1092 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-5676550364 [0,0,0,0,0,1|3,0,0]=4 1093 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-8752852377 [0,0,0,0,0,1|3,0,0]=4 1094 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-9926372034 [0,0,0,0,0,1|3,0,0]=4 1095 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5502640895 [0,0,0,0,0,1|3,0,0]=4 1096 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5602246196 [0,0,0,0,0,1|3,0,0]=4 1097 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-6522397846 [0,0,0,0,0,1|3,0,0]=4 1098 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-8594791252 [0,0,0,0,0,1|3,0,0]=4 1099 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [0,0,0,0,0,1|2,0,0]=3 1100 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [0,0,0,0,0,1|3,0,0]=4 1101 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [0,0,0,0,0,1|3,0,0]=4 1102 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [0,0,0,0,0,1|3,0,0]=4 1103 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [0,0,0,0,0,1|1,0,0]=2 1104 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [0,0,0,0,0,1|1,0,0]=2 1105 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [0,0,0,0,0,1|2,0,0]=3 1106 B9R0.53 O=C(O)C=C(Cl)CC(=O)O MCULE-4643738898 [0,0,0,0,0,1|2,0,1]=4 1107 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [0,0,0,0,0,1|2,0,1]=4 1108 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [0,0,0,0,0,1|2,0,0]=3 1109 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [0,0,0,0,0,1|3,0,0]=4 1110 B6R0.1 C=CC(N)CCO MCULE-7781906138 [2,0,0,0,0,0|2,0,0]=4 1111 B6R0.1 NC(CO)CCO MCULE-3703088648 [2,0,0,0,0,0|1,0,1]=4 1112 B6R0.1 NC(CO)CCO MCULE-7609576462 [2,0,0,0,0,0|1,0,1]=4 1113 B6R0.1 N[C@@H](CO)CCO MCULE-4583236919 [2,0,0,0,0,0|1,0,1]=4 1114 B6R0.1 N[C@@H](CO)CCO MCULE-5489716742 [2,0,0,0,0,0|1,0,1]=4 1115 B6R0.1 N[C@H](CO)CCO MCULE-5338659573 [2,0,0,0,0,0|1,0,1]=4 1116 B6R0.1 N[C@H](CO)CCO MCULE-8998003003 [2,0,0,0,0,0|1,0,1]=4 1117 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [2,0,0,0,0,0|1,0,1]=4 1118 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [2,0,0,0,0,0|1,0,1]=4 1119 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [2,0,0,0,0,0|1,0,1]=4 1120 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [2,0,0,0,0,0|1,0,1]=4 1121 B6R0.2 CC(N)CS(=O)C MCULE-1278482312 [2,0,0,0,0,0|1,0,1]=4 1122 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [2,0,0,0,0,0|2,0,0]=4 1123 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [2,0,0,0,0,0|2,0,0]=4 1124 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [2,0,0,0,0,0|2,0,0]=4 1125 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [2,0,0,0,0,0|1,0,1]=4 1126 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [2,0,0,0,0,0|1,0,1]=4 1127 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [2,0,0,0,0,0|1,0,1]=4 1128 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [2,0,0,0,0,0|1,0,1]=4 1129 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [2,0,0,0,0,0|2,0,0]=4 1130 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [2,0,0,0,0,0|2,0,0]=4 1131 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [2,0,0,0,0,0|1,0,1]=4 1132 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [2,0,0,0,0,0|1,0,1]=4 1133 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [2,0,0,0,0,0|1,0,1]=4 1134 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [2,0,0,0,0,0|1,0,1]=4 1135 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [2,0,0,0,0,0|2,0,0]=4 1136 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [2,0,0,0,0,0|2,0,0]=4 1137 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [2,0,0,0,0,0|1,0,1]=4 1138 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [2,0,0,0,0,0|2,0,0]=4 1139 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [2,0,0,0,0,0|2,0,0]=4 1140 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [2,0,0,0,0,0|2,0,0]=4 1141 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [2,0,0,0,0,0|2,0,0]=4 1142 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [2,0,0,0,0,0|2,0,0]=4 1143 B6R0.4 CC(=O)CCCO MCULE-1335342150 [2,0,0,0,0,0|2,0,0]=4 1144 B6R0.4 CCCCC(=O)O MCULE-2333640078 [2,0,0,0,0,0|2,0,0]=4 1145 B6R0.4 CNCCC(=O)O MCULE-3627988097 [2,0,0,0,0,0|2,0,0]=4 1146 B6R0.4 CNCCC(=O)O MCULE-9858204248 [2,0,0,0,0,0|2,0,0]=4 1147 B6R0.4 COCCC(=O)O MCULE-3436347115 [2,0,0,0,0,0|1,1,0]=4 1148 B6R0.4 CSCCC(=O)O MCULE-9550032941 [2,0,0,0,0,0|1,0,1]=4 1149 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [2,0,0,0,0,0|2,0,0]=4 1150 B6R0.4 NC(=O)CCCO MCULE-3779341561 [2,0,0,0,0,0|2,0,0]=4 1151 B6R0.4 NCCCC(=O)O MCULE-3615304273 [2,0,0,0,0,0|2,0,0]=4 1152 B6R0.4 NCCCC(=O)O MCULE-7613134021 [2,0,0,0,0,0|2,0,0]=4 1153 B6R0.4 NOCCC(=O)O MCULE-1529492904 [2,0,0,0,0,0|1,1,0]=4 1154 B6R0.4 NOCCC(=O)O MCULE-6297331357 [2,0,0,0,0,0|1,1,0]=4 1155 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [2,0,0,0,0,0|2,0,0]=4 1156 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [2,0,0,0,0,0|2,0,0]=4 1157 B6R0.4 O=C(O)CCCF MCULE-2415675768 [2,0,0,0,0,0|2,0,0]=4 1158 B6R0.4 O=C(O)CCCI MCULE-7794841553 [2,0,0,0,0,0|2,0,0]=4 1159 B6R0.4 O=C(O)CCCS MCULE-3352840152 [2,0,0,0,0,0|1,1,0]=4 1160 B6R0.4 O=C(O)CNCO MCULE-4092998319 [2,0,0,0,0,0|2,0,0]=4 1161 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [2,0,0,0,0,0|1,0,0]=3 1162 B6R0.4 O=CCCN(=O)=O MCULE-3692892497 [2,0,0,0,0,0|1,0,1]=4 1163 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [2,0,0,0,0,0|2,0,0]=4 1164 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [2,0,0,0,0,0|1,0,0]=3 1165 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [2,0,0,0,0,0|1,0,0]=3 1166 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [2,0,0,0,0,0|1,0,1]=4 1167 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [2,0,0,0,0,0|1,0,1]=4 1168 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [2,0,0,0,0,0|1,0,1]=4 1169 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [2,0,0,0,0,0|1,0,1]=4 1170 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [2,0,0,0,0,0|1,0,1]=4 1171 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [2,0,0,0,0,0|1,0,1]=4 1172 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [2,0,0,0,0,0|1,0,1]=4 1173 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [2,0,0,0,0,0|1,0,1]=4 1174 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [2,0,0,0,0,0|1,0,1]=4 1175 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [2,0,0,0,0,0|1,0,1]=4 1176 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [2,0,0,0,0,0|1,0,1]=4 1177 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [2,0,0,0,0,0|1,0,1]=4 1178 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [2,0,0,0,0,0|2,0,0]=4 1179 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [2,0,0,0,0,0|1,0,0]=3 1180 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [2,0,0,0,0,0|1,0,0]=3 1181 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [2,0,0,0,0,0|2,0,0]=4 1182 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [2,0,0,0,0,0|2,0,0]=4 1183 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [2,0,0,0,0,0|2,0,0]=4 1184 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [2,0,0,0,0,0|2,0,0]=4 1185 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [2,0,0,0,0,0|1,0,0]=3 1186 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [2,0,0,0,0,0|1,0,1]=4 1187 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [2,0,0,0,0,0|1,0,1]=4 1188 B6R0.3 CC(O)C(N)CO MCULE-7733336449 [2,0,0,0,0,0|1,0,1]=4 1189 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [2,0,0,0,0,0|2,0,0]=4 1190 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [2,0,0,0,0,0|2,0,0]=4 1191 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [2,0,0,0,0,0|2,0,0]=4 1192 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [2,0,0,0,0,0|2,0,0]=4 1193 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [2,0,0,0,0,0|2,0,0]=4 1194 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [2,0,0,0,0,0|2,0,0]=4 1195 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [2,0,0,0,0,0|2,0,0]=4 1196 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [2,0,0,0,0,0|2,0,0]=4 1197 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [2,0,0,0,0,0|2,0,0]=4 1198 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [2,0,0,0,0,0|1,0,0]=3 1199 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [2,0,0,0,0,0|1,0,0]=3 1200 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [2,0,0,0,0,0|1,0,0]=3 1201 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [2,0,0,0,0,0|1,0,0]=3 1202 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [2,0,0,0,0,0|2,0,0]=4 1203 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [2,0,0,0,0,0|2,0,0]=4 1204 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [2,0,0,0,0,0|2,0,0]=4 1205 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [2,0,0,0,0,0|2,0,0]=4 1206 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [2,0,0,0,0,0|2,0,0]=4 1207 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [2,0,0,0,0,0|2,0,0]=4 1208 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [2,0,0,0,0,0|2,0,0]=4 1209 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [2,0,0,0,0,0|2,0,0]=4 1210 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [2,0,0,0,0,0|2,0,0]=4 1211 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [2,0,0,0,0,0|2,0,0]=4 1212 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [2,0,0,0,0,0|2,0,0]=4 1213 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [2,0,0,0,0,0|2,0,0]=4 1214 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [2,0,0,0,0,0|2,0,0]=4 1215 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [2,0,0,0,0,0|1,0,0]=3 1216 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [2,0,0,0,0,0|1,0,0]=3 1217 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [2,0,0,0,0,0|1,0,0]=3 1218 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [2,0,0,0,0,0|1,0,0]=3 1219 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [2,0,0,0,0,0|2,0,0]=4 1220 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [2,0,0,0,0,0|2,0,0]=4 1221 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [2,0,0,0,0,0|2,0,0]=4 1222 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [2,0,0,0,0,0|2,0,0]=4 1223 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [2,0,0,0,0,0|2,0,0]=4 1224 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [2,0,0,0,0,0|2,0,0]=4 1225 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [2,0,0,0,0,0|2,0,0]=4 1226 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [2,0,0,0,0,0|2,0,0]=4 1227 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [2,0,0,0,0,0|2,0,0]=4 1228 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [2,0,0,0,0,0|2,0,0]=4 1229 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [2,0,0,0,0,0|2,0,0]=4 1230 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [2,0,0,0,0,0|1,0,0]=3 1231 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [2,0,0,0,0,0|1,0,0]=3 1232 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [2,0,0,0,0,0|1,0,0]=3 1233 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [2,0,0,0,0,0|1,0,0]=3 1234 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [2,0,0,0,0,0|1,1,0]=4 1235 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [2,0,0,0,0,0|1,1,0]=4 1236 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [2,0,0,0,0,0|2,0,0]=4 1237 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [2,0,0,0,0,0|2,0,0]=4 1238 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [2,0,0,0,0,0|2,0,0]=4 1239 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [2,0,0,0,0,0|2,0,0]=4 1240 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [2,0,0,0,0,0|2,0,0]=4 1241 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [2,0,0,0,0,0|2,0,0]=4 1242 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [2,0,0,0,0,0|1,0,0]=3 1243 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [2,0,0,0,0,0|1,0,0]=3 1244 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-1499224916 [2,0,0,0,0,0|1,0,1]=4 1245 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-3539522955 [2,0,0,0,0,0|1,0,1]=4 1246 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-1381786707 [2,0,0,0,0,0|1,0,1]=4 1247 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-3627537672 [2,0,0,0,0,0|1,0,1]=4 1248 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-5429038645 [2,0,0,0,0,0|1,0,1]=4 1249 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-6146168744 [2,0,0,0,0,0|1,0,1]=4 1250 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [2,0,0,0,0,0|2,0,0]=4 1251 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [2,0,0,0,0,0|2,0,0]=4 1252 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [2,0,0,0,0,0|2,0,0]=4 1253 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [2,0,0,0,0,0|2,0,0]=4 1254 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [2,0,0,0,0,0|1,0,0]=3 1255 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [2,0,0,0,0,0|1,0,0]=3 1256 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [2,0,0,0,0,0|1,0,1]=4 1257 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-5329315346 [2,0,0,0,0,0|1,0,1]=4 1258 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7239426628 [2,0,0,0,0,0|1,0,1]=4 1259 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7437797788 [2,0,0,0,0,0|1,0,1]=4 1260 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-2378004602 [2,0,0,0,0,0|1,0,1]=4 1261 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-9436764758 [2,0,0,0,0,0|1,0,1]=4 1262 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [2,0,0,0,0,0|1,0,0]=3 1263 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [2,0,0,0,0,0|1,0,0]=3 1264 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [2,0,0,0,0,0|1,0,1]=4 1265 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [2,0,0,0,0,0|1,0,1]=4 1266 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [2,0,0,0,0,0|1,0,0]=3 1267 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [2,0,0,0,0,0|1,0,0]=3 1268 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [2,0,0,0,0,0|1,0,0]=3 1269 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [2,0,0,0,0,0|1,0,1]=4 1270 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [2,0,0,0,0,0|1,0,0]=3 1271 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [2,0,0,0,0,0|1,0,0]=3 1272 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [2,0,0,0,0,0|1,0,0]=3 1273 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [2,0,0,0,0,0|1,0,0]=3 1274 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [2,0,0,0,0,0|1,0,0]=3 1275 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [2,0,0,0,0,0|1,0,0]=3 1276 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [2,0,0,0,0,0|1,0,0]=3 1277 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [2,0,0,0,0,0|1,0,0]=3 1278 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [2,0,0,0,0,0|0,0,0]=2 1279 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [2,0,0,0,0,0|0,0,0]=2 1280 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [2,0,0,0,0,0|0,0,1]=3 1281 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [2,0,0,0,0,0|0,0,1]=3 1282 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [2,0,0,0,0,0|0,0,1]=3 1283 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [2,0,0,0,0,0|0,0,1]=3 1284 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [2,0,0,0,0,0|2,0,0]=4 1285 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [2,0,0,0,0,0|2,0,0]=4 1286 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [2,0,0,0,0,0|2,0,0]=4 1287 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [2,0,0,0,0,0|2,0,0]=4 1288 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [2,0,0,0,0,0|1,0,0]=3 1289 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [2,0,0,0,0,0|1,0,0]=3 1290 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [2,0,0,0,0,0|1,0,0]=3 1291 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [2,0,0,0,0,0|1,0,0]=3 1292 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [2,0,0,0,0,0|1,0,0]=3 1293 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [2,0,0,0,0,0|2,0,0]=4 1294 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [2,0,0,0,0,0|2,0,0]=4 1295 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [2,0,0,0,0,0|2,0,0]=4 1296 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [2,0,0,0,0,0|2,0,0]=4 1297 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [2,0,0,0,0,0|2,0,0]=4 1298 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [2,0,0,0,0,0|2,0,0]=4 1299 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [2,0,0,0,0,0|1,0,0]=3 1300 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [2,0,0,0,0,0|1,0,0]=3 1301 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [2,0,0,0,0,0|1,0,0]=3 1302 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [2,0,0,0,0,0|2,0,0]=4 1303 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [2,0,0,0,0,0|2,0,0]=4 1304 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [2,0,0,0,0,0|2,0,0]=4 1305 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [2,0,0,0,0,0|2,0,0]=4 1306 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [2,0,0,0,0,0|2,0,0]=4 1307 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [2,0,0,0,0,0|2,0,0]=4 1308 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [2,0,0,0,0,0|1,0,0]=3 1309 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [2,0,0,0,0,0|1,0,0]=3 1310 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [2,0,0,0,0,0|1,0,0]=3 1311 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [2,0,0,0,0,0|1,0,0]=3 1312 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [2,0,0,0,0,0|1,0,0]=3 1313 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [2,0,0,0,0,0|1,0,0]=3 1314 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [2,0,0,0,0,0|2,0,0]=4 1315 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [2,0,0,0,0,0|2,0,0]=4 1316 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [2,0,0,0,0,0|1,0,0]=3 1317 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [2,0,0,0,0,0|1,0,0]=3 1318 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [2,0,0,0,0,0|1,0,0]=3 1319 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [2,0,0,0,0,0|1,0,0]=3 1320 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [2,0,0,0,0,0|0,0,0]=2 1321 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [2,0,0,0,0,0|0,0,0]=2 1322 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [2,0,0,0,0,0|0,0,0]=2 1323 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [2,0,0,0,0,0|0,0,0]=2 1324 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [2,0,0,0,0,0|0,0,1]=3 1325 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [2,0,0,0,0,0|0,0,1]=3 1326 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [2,0,0,0,0,0|0,0,1]=3 1327 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [2,0,0,0,0,0|0,0,1]=3 1328 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [2,0,0,0,0,0|1,0,0]=3 1329 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [2,0,0,0,0,0|1,0,0]=3 1330 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [2,0,0,0,0,0|1,0,0]=3 1331 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [2,0,0,0,0,0|1,0,0]=3 1332 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [2,0,0,0,0,0|1,0,0]=3 1333 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [2,0,0,0,0,0|1,0,0]=3 1334 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [2,0,0,0,0,0|0,0,0]=2 1335 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [2,0,0,0,0,0|0,0,0]=2 1336 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [2,0,0,0,0,0|0,0,1]=3 1337 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [2,0,0,0,0,0|0,0,1]=3 1338 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [2,0,0,0,0,0|0,0,1]=3 1339 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [2,0,0,0,0,0|0,0,1]=3 1340 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [2,0,0,0,0,0|1,0,1]=4 1341 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [2,0,0,0,0,0|2,0,0]=4 1342 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [2,0,0,0,0,0|2,0,0]=4 1343 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [2,0,0,0,0,0|1,0,0]=3 1344 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [2,0,0,0,0,0|2,0,0]=4 1345 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [2,0,0,0,0,0|1,0,0]=3 1346 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [2,0,0,0,0,0|2,0,0]=4 1347 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [2,0,0,0,0,0|2,0,0]=4 1348 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [2,0,0,0,0,0|2,0,0]=4 1349 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [2,0,0,0,0,0|1,0,0]=3 1350 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [2,0,0,0,0,0|1,0,0]=3 1351 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [2,0,0,0,0,0|1,0,0]=3 1352 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [2,0,0,0,0,0|2,0,0]=4 1353 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [2,0,0,0,0,0|1,0,0]=3 1354 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [2,0,0,0,0,0|1,0,0]=3 1355 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [2,0,0,0,0,0|1,0,0]=3 1356 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [2,0,0,0,0,0|1,0,0]=3 1357 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [2,0,0,0,0,0|2,0,0]=4 1358 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [2,0,0,0,0,0|1,0,1]=4 1359 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [2,0,0,0,0,0|1,0,1]=4 1360 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [2,0,0,0,0,0|1,0,0]=3 1361 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [2,0,0,0,0,0|1,0,0]=3 1362 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [2,0,0,0,0,0|2,0,0]=4 1363 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [2,0,0,0,0,0|0,1,0]=3 1364 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [1,1,0,0,0,0|2,0,0]=4 1365 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [1,1,0,0,0,0|2,0,0]=4 1366 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [1,1,0,0,0,0|2,0,0]=4 1367 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [1,1,0,0,0,0|2,0,0]=4 1368 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [1,1,0,0,0,0|2,0,0]=4 1369 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [1,1,0,0,0,0|2,0,0]=4 1370 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [1,1,0,0,0,0|2,0,0]=4 1371 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [1,1,0,0,0,0|2,0,0]=4 1372 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [1,1,0,0,0,0|2,0,0]=4 1373 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [1,1,0,0,0,0|2,0,0]=4 1374 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [1,1,0,0,0,0|2,0,0]=4 1375 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [1,1,0,0,0,0|2,0,0]=4 1376 B8R0.16 NCC(CO)CC(=O)O MCULE-2939268634 [1,1,0,0,0,0|1,0,1]=4 1377 B8R0.19 COC(=O)CC(C)C=O MCULE-1183479071 [1,1,0,0,0,0|2,0,0]=4 1378 B8R0.19 COC(=O)CC(N)CO MCULE-4803123890 [1,1,0,0,0,0|1,0,1]=4 1379 B8R0.19 COC(=O)CC(N)CO MCULE-5372024399 [1,1,0,0,0,0|1,0,1]=4 1380 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-6219975516 [1,1,0,0,0,0|2,0,0]=4 1381 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-7181187393 [1,1,0,0,0,0|2,0,0]=4 1382 B8R0.3 C#CCC(N)C(=O)OC MCULE-2178950640 [1,1,0,0,0,0|2,0,0]=4 1383 B8R0.3 C#CCC(N)C(=O)OC MCULE-6758978147 [1,1,0,0,0,0|2,0,0]=4 1384 B8R0.3 C#CC[C@@H](N)C(=O)OC MCULE-1974908886 [1,1,0,0,0,0|2,0,0]=4 1385 B8R0.3 C#CC[C@@H](N)C(=O)OC MCULE-4511622416 [1,1,0,0,0,0|2,0,0]=4 1386 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-1519824425 [1,1,0,0,0,0|2,0,0]=4 1387 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-2744971317 [1,1,0,0,0,0|2,0,0]=4 1388 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-4813964115 [1,1,0,0,0,0|2,0,0]=4 1389 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-6433911913 [1,1,0,0,0,0|2,0,0]=4 1390 B8R0.3 C=CCC(N)C(=O)OC MCULE-1390503391 [1,1,0,0,0,0|2,0,0]=4 1391 B8R0.3 C=CCC(N)C(=O)OC MCULE-6527008669 [1,1,0,0,0,0|2,0,0]=4 1392 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1188632168 [1,1,0,0,0,0|2,0,0]=4 1393 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1561172370 [1,1,0,0,0,0|2,0,0]=4 1394 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1592773442 [1,1,0,0,0,0|2,0,0]=4 1395 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-2928833845 [1,1,0,0,0,0|2,0,0]=4 1396 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-1184647267 [1,1,0,0,0,0|2,0,0]=4 1397 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-6782970786 [1,1,0,0,0,0|2,0,0]=4 1398 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-7213365607 [1,1,0,0,0,0|2,0,0]=4 1399 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-9811834405 [1,1,0,0,0,0|2,0,0]=4 1400 B8R0.3 CCCC(N)C(=O)NO MCULE-2069838283 [1,1,0,0,0,0|2,0,0]=4 1401 B8R0.3 CCCC(N)C(=O)OC MCULE-1453218994 [1,1,0,0,0,0|2,0,0]=4 1402 B8R0.3 CCCC(N)C(=O)OC MCULE-4171872835 [1,1,0,0,0,0|2,0,0]=4 1403 B8R0.3 CCCC(N)C(=O)OC MCULE-4324009425 [1,1,0,0,0,0|2,0,0]=4 1404 B8R0.3 CCCC(N)C(=O)OC MCULE-9533158990 [1,1,0,0,0,0|2,0,0]=4 1405 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-1310673609 [1,1,0,0,0,0|2,0,0]=4 1406 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-5850698619 [1,1,0,0,0,0|2,0,0]=4 1407 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-5854286766 [1,1,0,0,0,0|2,0,0]=4 1408 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-9793822862 [1,1,0,0,0,0|2,0,0]=4 1409 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-2009036281 [1,1,0,0,0,0|2,0,0]=4 1410 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-5609199650 [1,1,0,0,0,0|2,0,0]=4 1411 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-5628439347 [1,1,0,0,0,0|2,0,0]=4 1412 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-8724830592 [1,1,0,0,0,0|2,0,0]=4 1413 B8R0.3 CNC[C@H](N)C(=O)OC MCULE-6377659413 [1,1,0,0,0,0|2,0,0]=4 1414 B8R0.3 CNC[C@H](N)C(=O)OC MCULE-9611469994 [1,1,0,0,0,0|2,0,0]=4 1415 B8R0.3 COC(=O)C(N)CCBr MCULE-5668145888 [1,1,0,0,0,0|2,0,0]=4 1416 B8R0.3 COC(=O)C(N)CCBr MCULE-5831054247 [1,1,0,0,0,0|2,0,0]=4 1417 B8R0.3 COC(=O)C(N)CCF MCULE-3356013030 [1,1,0,0,0,0|2,0,0]=4 1418 B8R0.3 COC(=O)C(N)CCF MCULE-6443244944 [1,1,0,0,0,0|2,0,0]=4 1419 B8R0.3 COC(=O)C(N)CCS MCULE-8178229832 [1,1,0,0,0,0|1,1,0]=4 1420 B8R0.3 COC(=O)C(N)CSC MCULE-6702025743 [1,1,0,0,0,0|1,0,1]=4 1421 B8R0.3 COC(=O)C(N)CSC MCULE-7180641175 [1,1,0,0,0,0|1,0,1]=4 1422 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-1252477377 [1,1,0,0,0,0|2,0,0]=4 1423 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-6780159971 [1,1,0,0,0,0|2,0,0]=4 1424 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-8129635461 [1,1,0,0,0,0|2,0,0]=4 1425 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-9824385803 [1,1,0,0,0,0|2,0,0]=4 1426 B8R0.3 COC(=O)[C@@H](N)CCN MCULE-5345736899 [1,1,0,0,0,0|2,0,0]=4 1427 B8R0.3 COC(=O)[C@@H](N)CCN MCULE-8434362314 [1,1,0,0,0,0|2,0,0]=4 1428 B8R0.3 COC(=O)[C@@H](N)CCS MCULE-1895611205 [1,1,0,0,0,0|1,1,0]=4 1429 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-2532401863 [1,1,0,0,0,0|1,0,1]=4 1430 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-3321267517 [1,1,0,0,0,0|1,0,1]=4 1431 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-5693942065 [1,1,0,0,0,0|1,0,1]=4 1432 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-7597642447 [1,1,0,0,0,0|1,0,1]=4 1433 B8R0.3 COC(=O)[C@H](N)CCN MCULE-1821826306 [1,1,0,0,0,0|2,0,0]=4 1434 B8R0.3 COC(=O)[C@H](N)CCN MCULE-8161776969 [1,1,0,0,0,0|2,0,0]=4 1435 B8R0.3 COC(=O)[C@H](N)CCO MCULE-1194830786 [1,1,0,0,0,0|1,0,0]=3 1436 B8R0.3 COC(=O)[C@H](N)CCO MCULE-2532522705 [1,1,0,0,0,0|1,0,0]=3 1437 B8R0.3 COC(=O)[C@H](N)CCS MCULE-8558179208 [1,1,0,0,0,0|1,1,0]=4 1438 B8R0.3 COCC(N)C(=O)OC MCULE-1717271658 [1,1,0,0,0,0|1,1,0]=4 1439 B8R0.3 COCC(N)C(=O)OC MCULE-4567479747 [1,1,0,0,0,0|1,1,0]=4 1440 B8R0.3 COCC(N)C(=O)OC MCULE-4859095599 [1,1,0,0,0,0|1,1,0]=4 1441 B8R0.3 COCC(N)C(=O)OC MCULE-8125210840 [1,1,0,0,0,0|1,1,0]=4 1442 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-2867072950 [1,1,0,0,0,0|1,1,0]=4 1443 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-5445193744 [1,1,0,0,0,0|1,1,0]=4 1444 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-8505505456 [1,1,0,0,0,0|1,1,0]=4 1445 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-8525451378 [1,1,0,0,0,0|1,1,0]=4 1446 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [1,1,0,0,0,0|2,0,0]=4 1447 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [1,1,0,0,0,0|2,0,0]=4 1448 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [1,1,0,0,0,0|2,0,0]=4 1449 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [1,1,0,0,0,0|2,0,0]=4 1450 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [1,1,0,0,0,0|2,0,0]=4 1451 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [1,1,0,0,0,0|2,0,0]=4 1452 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [1,1,0,0,0,0|2,0,0]=4 1453 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [1,1,0,0,0,0|2,0,0]=4 1454 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [1,1,0,0,0,0|2,0,0]=4 1455 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [1,1,0,0,0,0|2,0,0]=4 1456 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [1,1,0,0,0,0|2,0,0]=4 1457 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [1,1,0,0,0,0|2,0,0]=4 1458 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [1,1,0,0,0,0|2,0,0]=4 1459 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [1,1,0,0,0,0|2,0,0]=4 1460 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [1,1,0,0,0,0|2,0,0]=4 1461 B8R0.8 CC#CCC(N)C(=O)O MCULE-2943446929 [1,1,0,0,0,0|2,0,0]=4 1462 B8R0.8 CC#CCC(N)C(=O)O MCULE-8126081664 [1,1,0,0,0,0|2,0,0]=4 1463 B8R0.8 CC#CC[C@@H](N)C(=O)O MCULE-5156383275 [1,1,0,0,0,0|2,0,0]=4 1464 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-4618959735 [1,1,0,0,0,0|2,0,0]=4 1465 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-7818390064 [1,1,0,0,0,0|2,0,0]=4 1466 B8R0.8 CC(OCCO)C(=O)O MCULE-4305620136 [1,1,0,0,0,0|2,0,0]=4 1467 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [1,1,0,0,0,0|2,0,0]=4 1468 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [1,1,0,0,0,0|2,0,0]=4 1469 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [1,1,0,0,0,0|2,0,0]=4 1470 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [1,1,0,0,0,0|2,0,0]=4 1471 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [1,1,0,0,0,0|2,0,0]=4 1472 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [1,1,0,0,0,0|1,1,0]=4 1473 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [1,1,0,0,0,0|1,1,0]=4 1474 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [1,1,0,0,0,0|1,1,0]=4 1475 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [1,1,0,0,0,0|1,1,0]=4 1476 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [1,1,0,0,0,0|1,0,1]=4 1477 B8R0.8 COCCC(C)C(=O)O MCULE-5066180613 [1,1,0,0,0,0|2,0,0]=4 1478 B8R0.8 COCCC(N)C(=O)N MCULE-4212561129 [1,1,0,0,0,0|2,0,0]=4 1479 B8R0.8 COCCC(N)C(=O)N MCULE-5370323024 [1,1,0,0,0,0|2,0,0]=4 1480 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [1,1,0,0,0,0|1,0,0]=3 1481 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [1,1,0,0,0,0|1,0,0]=3 1482 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [1,1,0,0,0,0|1,0,0]=3 1483 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [1,1,0,0,0,0|1,0,1]=4 1484 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [1,1,0,0,0,0|1,0,1]=4 1485 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [1,1,0,0,0,0|1,0,1]=4 1486 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [1,1,0,0,0,0|1,0,1]=4 1487 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [1,1,0,0,0,0|1,0,1]=4 1488 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [1,1,0,0,0,0|1,0,1]=4 1489 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [1,1,0,0,0,0|1,1,0]=4 1490 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [1,1,0,0,0,0|1,1,0]=4 1491 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [1,1,0,0,0,0|1,1,0]=4 1492 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [1,1,0,0,0,0|1,0,0]=3 1493 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [1,1,0,0,0,0|2,0,0]=4 1494 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [1,1,0,0,0,0|2,0,0]=4 1495 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [1,1,0,0,0,0|2,0,0]=4 1496 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [1,1,0,0,0,0|2,0,0]=4 1497 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [1,1,0,0,0,0|2,0,0]=4 1498 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [1,1,0,0,0,0|2,0,0]=4 1499 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [1,1,0,0,0,0|2,0,0]=4 1500 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [1,1,0,0,0,0|2,0,0]=4 1501 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [1,1,0,0,0,0|2,0,0]=4 1502 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [1,1,0,0,0,0|2,0,0]=4 1503 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [1,1,0,0,0,0|2,0,0]=4 1504 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [1,1,0,0,0,0|2,0,0]=4 1505 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [1,1,0,0,0,0|2,0,0]=4 1506 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [1,1,0,0,0,0|2,0,0]=4 1507 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [1,1,0,0,0,0|2,0,0]=4 1508 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [1,1,0,0,0,0|2,0,0]=4 1509 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [1,1,0,0,0,0|1,0,0]=3 1510 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [1,1,0,0,0,0|1,0,0]=3 1511 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [1,1,0,0,0,0|1,0,0]=3 1512 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [1,1,0,0,0,0|1,0,0]=3 1513 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [1,1,0,0,0,0|1,0,0]=3 1514 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [1,1,0,0,0,0|1,0,0]=3 1515 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [1,1,0,0,0,0|2,0,0]=4 1516 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [1,1,0,0,0,0|2,0,0]=4 1517 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [1,1,0,0,0,0|1,0,0]=3 1518 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4562460888 [1,1,0,0,0,0|2,0,0]=4 1519 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4736712462 [1,1,0,0,0,0|2,0,0]=4 1520 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-6764345986 [1,1,0,0,0,0|2,0,0]=4 1521 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-1901194070 [1,1,0,0,0,0|2,0,0]=4 1522 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-2129950967 [1,1,0,0,0,0|2,0,0]=4 1523 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-4531641107 [1,1,0,0,0,0|2,0,0]=4 1524 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-9554569949 [1,1,0,0,0,0|2,0,0]=4 1525 B8R0.12 C#CCC(C)(N)C(=O)O MCULE-8114982544 [1,1,0,0,0,0|2,0,0]=4 1526 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-2326062849 [1,1,0,0,0,0|2,0,0]=4 1527 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-2897598223 [1,1,0,0,0,0|2,0,0]=4 1528 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-6332359697 [1,1,0,0,0,0|2,0,0]=4 1529 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-9265618717 [1,1,0,0,0,0|2,0,0]=4 1530 B8R0.12 C#CC[C@](C)(N)C(=O)O MCULE-2976528694 [1,1,0,0,0,0|2,0,0]=4 1531 B8R0.12 C#CC[C@](C)(N)C(=O)O MCULE-7418052843 [1,1,0,0,0,0|2,0,0]=4 1532 B8R0.12 C=CCC(C)(N)C(=O)O MCULE-7144199889 [1,1,0,0,0,0|2,0,0]=4 1533 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-4753726738 [1,1,0,0,0,0|2,0,0]=4 1534 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-8270551752 [1,1,0,0,0,0|2,0,0]=4 1535 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-2471413685 [1,1,0,0,0,0|2,0,0]=4 1536 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-5595289174 [1,1,0,0,0,0|2,0,0]=4 1537 B8R0.12 CC(C)(CCO)C(=O)O MCULE-1566648548 [1,1,0,0,0,0|2,0,0]=4 1538 B8R0.12 CC(N)(CCF)C(=O)O MCULE-5797177130 [1,1,0,0,0,0|2,0,0]=4 1539 B8R0.12 CC(N)(CCF)C(=O)O MCULE-9911119608 [1,1,0,0,0,0|2,0,0]=4 1540 B8R0.12 CCCC(C)(N)C(=O)O MCULE-3079931045 [1,1,0,0,0,0|2,0,0]=4 1541 B8R0.12 CCC[C@](C)(N)C(=O)O MCULE-8569302783 [1,1,0,0,0,0|2,0,0]=4 1542 B8R0.15 CCCC(NC)C(=O)O MCULE-5292420123 [1,1,0,0,0,0|2,0,0]=4 1543 B8R0.15 CCCC(NC)C(=O)O MCULE-5734283547 [1,1,0,0,0,0|2,0,0]=4 1544 B8R0.15 CCCC(NC)C(=O)O MCULE-9559460593 [1,1,0,0,0,0|2,0,0]=4 1545 B8R0.15 CCCC(NO)C(=O)O MCULE-7484331195 [1,1,0,0,0,0|2,0,0]=4 1546 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-3394704356 [1,1,0,0,0,0|2,0,0]=4 1547 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-8140893147 [1,1,0,0,0,0|2,0,0]=4 1548 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-1028689544 [1,1,0,0,0,0|2,0,0]=4 1549 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-4848752673 [1,1,0,0,0,0|2,0,0]=4 1550 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-5585839502 [1,1,0,0,0,0|2,0,0]=4 1551 B8R0.15 CCC[C@H](NO)C(=O)O MCULE-7455558431 [1,1,0,0,0,0|2,0,0]=4 1552 B8R0.15 CNC(CCN)C(=O)O MCULE-6687313255 [1,1,0,0,0,0|2,0,0]=4 1553 B8R0.15 CNC(COC)C(=O)O MCULE-4091913769 [1,1,0,0,0,0|1,1,0]=4 1554 B8R0.15 CNC(COC)C(=O)O MCULE-6745647660 [1,1,0,0,0,0|1,1,0]=4 1555 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-4209872941 [1,1,0,0,0,0|1,0,0]=3 1556 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-7202916887 [1,1,0,0,0,0|1,0,0]=3 1557 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-1874728709 [1,1,0,0,0,0|1,0,0]=3 1558 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-3716592032 [1,1,0,0,0,0|1,0,0]=3 1559 B8R0.15 COCC(ON)C(=O)O MCULE-4466158339 [1,1,0,0,0,0|1,1,0]=4 1560 B8R0.15 COCC(ON)C(=O)O MCULE-6084078663 [1,1,0,0,0,0|1,1,0]=4 1561 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [1,1,0,0,0,0|2,0,0]=4 1562 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [1,1,0,0,0,0|2,0,0]=4 1563 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [1,1,0,0,0,0|2,0,0]=4 1564 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [1,1,0,0,0,0|1,0,0]=3 1565 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [1,1,0,0,0,0|2,0,0]=4 1566 B8R0.9 COC(=O)CCC(=O)C MCULE-6324755148 [1,1,0,0,0,0|2,0,0]=4 1567 B8R0.9 COC(=O)CCC(=O)Cl MCULE-2684320402 [1,1,0,0,0,0|2,0,0]=4 1568 B8R0.9 COC(=O)CCC(=O)N MCULE-1154081515 [1,1,0,0,0,0|2,0,0]=4 1569 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [1,1,0,0,0,0|1,0,0]=3 1570 B8R0.9 COC(=O)CCN(=O)=O MCULE-3836108700 [1,1,0,0,0,0|1,0,1]=4 1571 B8R0.9 COC(=O)CCS(=O)O MCULE-4935012562 [1,1,0,0,0,0|0,0,0]=2 1572 B8R0.9 COC(=O)CCS(=O)[O-] MCULE-5802411922 [1,1,0,0,0,0|0,0,1]=3 1573 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [1,1,0,0,0,0|2,0,0]=4 1574 B8R0.9 COC(C)CCC(=O)O MCULE-5873043454 [1,1,0,0,0,0|2,0,0]=4 1575 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [1,1,0,0,0,0|2,0,0]=4 1576 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [1,1,0,0,0,0|2,0,0]=4 1577 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [1,1,0,0,0,0|2,0,0]=4 1578 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [1,1,0,0,0,0|2,0,0]=4 1579 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [1,1,0,0,0,0|2,0,0]=4 1580 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [1,1,0,0,0,0|2,0,0]=4 1581 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [1,1,0,0,0,0|2,0,0]=4 1582 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [1,1,0,0,0,0|2,0,0]=4 1583 B8R0.9 O=C(O)CCC(=O)NO MCULE-2226202964 [1,1,0,0,0,0|1,0,0]=3 1584 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [1,1,0,0,0,0|1,0,0]=3 1585 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [1,1,0,0,0,0|2,0,0]=4 1586 B8R0.29 CP(=O)(C)CCC(=O)O MCULE-4161237740 [1,1,0,0,0,0|2,0,0]=4 1587 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [1,1,0,0,0,0|1,0,0]=3 1588 B8R0.29 CS(=O)(=O)CCC(=O)O MCULE-6100062469 [1,1,0,0,0,0|0,0,2]=4 1589 B8R0.29 NS(=O)(=O)CCC(=O)O MCULE-7062523969 [1,1,0,0,0,0|0,0,2]=4 1590 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [1,1,0,0,0,0|1,0,0]=3 1591 B8R0.29 O=C(O)CCS(=O)(=O)O MCULE-8973025218 [1,1,0,0,0,0|0,0,1]=3 1592 B8R0.18 CCC(C(=O)O)C(=O)O MCULE-3288957588 [0,1,0,0,1,0|2,0,0]=4 1593 B8R0.18 CNC(C(=O)O)C(C)O MCULE-8017224741 [0,1,0,0,1,0|2,0,0]=4 1594 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-5405618703 [0,1,0,0,1,0|2,0,0]=4 1595 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-6470355986 [0,1,0,0,1,0|2,0,0]=4 1596 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-7261692258 [0,1,0,0,1,0|2,0,0]=4 1597 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-7763091319 [0,1,0,0,1,0|2,0,0]=4 1598 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-8429501411 [0,1,0,0,1,0|2,0,0]=4 1599 B8R0.27 CC(C(=O)O)P(=O)(O)O MCULE-8565461015 [0,1,0,0,1,0|2,0,0]=4 1600 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4257891769 [0,1,0,0,1,0|2,0,0]=4 1601 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4291820573 [0,1,0,0,1,0|2,0,0]=4 1602 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-8731964950 [0,1,0,0,1,0|2,0,0]=4 1603 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-2953137860 [0,1,0,0,1,0|2,0,0]=4 1604 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-3424625974 [0,1,0,0,1,0|2,0,0]=4 1605 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-3721152032 [0,1,0,0,1,0|2,0,0]=4 1606 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-7599346102 [0,1,0,0,1,0|2,0,0]=4 1607 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-9499245205 [0,1,0,0,1,0|2,0,0]=4 1608 B8R0.27 O=C(O)C(Cl)P(=O)(O)O MCULE-8492715834 [0,1,0,0,1,0|2,0,0]=4 1609 B8R0.27 O=C(O)C(O)P(=O)(O)O MCULE-5564177953 [0,1,0,0,1,0|2,0,0]=4 1610 B8R0.27 [C@@H](N)(C(=O)O)C(C)(C)O MCULE-5116872005 [0,1,0,0,1,0|2,0,0]=4 1611 B8R0.37 CC(C)(C(=O)O)C(=O)O MCULE-7318511088 [0,1,0,0,1,0|2,0,0]=4 1612 B8R0.37 CC(O)C(C)(N)C(=O)O MCULE-9781647782 [0,1,0,0,1,0|2,0,0]=4 1613 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O MCULE-4212497890 [0,1,0,0,1,0|2,0,0]=4 1614 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O MCULE-7382680634 [0,1,0,0,1,0|2,0,0]=4 1615 B8R0.37 C[C@H](O)[C@@](C)(N)C(=O)O MCULE-5661079280 [0,1,0,0,1,0|2,0,0]=4 1616 B8R0.37 O=C(O)C(F)(F)C(=O)O MCULE-4438516030 [0,1,0,0,1,0|2,0,0]=4 1617 B8R0.37 O=C(O)C(O)(O)C(=O)O MCULE-1610310703 [0,1,0,0,1,0|2,0,0]=4 1618 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-2960070749 [0,1,0,0,0,1|2,0,0]=4 1619 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-7223559986 [0,1,0,0,0,1|2,0,0]=4 1620 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-3196057448 [0,1,0,0,0,1|2,0,0]=4 1621 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-4987228190 [0,1,0,0,0,1|2,0,0]=4 1622 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-8785750681 [0,1,0,0,0,1|2,0,0]=4 1623 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-9094583167 [0,1,0,0,0,1|2,0,0]=4 1624 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-3332620674 [0,1,0,0,0,1|1,0,0]=3 1625 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O MCULE-1191810017 [0,1,0,0,0,1|1,0,0]=3 1626 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-6898866017 [0,1,0,0,0,1|1,0,0]=3 1627 B10R0.13 C[C@H](CC(=O)O)[C@H](N)C(=O)O MCULE-5584040869 [0,1,0,0,0,1|1,0,0]=3 1628 B10R0.13 N[C@@H](C(=O)O)[C@H](O)CC(=O)O MCULE-6540374220 [0,1,0,0,0,1|1,0,0]=3 1629 B10R0.13 N[C@H](C(=O)O)[C@@H](F)CC(=O)O MCULE-4546449636 [0,1,0,0,0,1|1,0,0]=3 1630 B10R0.43 CC(C)(CCC(=O)O)C(=O)O MCULE-3722680536 [0,1,0,0,0,1|2,0,0]=4 1631 B10R0.43 CC(C)(SCC(=O)O)C(=O)O MCULE-9761119610 [0,1,0,0,0,1|2,0,0]=4 1632 B10R0.43 CC(N)(CCC(=O)O)C(=O)O MCULE-3734637690 [0,1,0,0,0,1|1,0,0]=3 1633 B10R0.43 C[C@@](N)(CCC(=O)O)C(=O)O MCULE-5201150112 [0,1,0,0,0,1|1,0,0]=3 1634 B10R0.43 O=C(O)CCC(F)(F)C(=O)O MCULE-3909124499 [0,1,0,0,0,1|2,0,0]=4 1635 B10R0.57 C(N)(CCC(=O)O)C(=O)OC MCULE-6082605624 [0,1,0,0,0,1|1,0,0]=3 1636 B10R0.57 COC(=O)C(N)CCC(=O)N MCULE-3871381696 [0,1,0,0,0,1|2,0,0]=4 1637 B10R0.57 COC(=O)C(N)CCC(=O)N MCULE-6424537354 [0,1,0,0,0,1|2,0,0]=4 1638 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-3294558028 [0,1,0,0,0,1|1,0,0]=3 1639 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-4645787805 [0,1,0,0,0,1|1,0,0]=3 1640 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-8573479107 [0,1,0,0,0,1|1,0,0]=3 1641 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-2647128583 [0,1,0,0,0,1|2,0,0]=4 1642 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-3301910394 [0,1,0,0,0,1|2,0,0]=4 1643 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-6377888321 [0,1,0,0,0,1|2,0,0]=4 1644 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-8642069122 [0,1,0,0,0,1|2,0,0]=4 1645 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O MCULE-3694424519 [0,1,0,0,0,1|1,0,0]=3 1646 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O MCULE-3908913342 [0,1,0,0,0,1|1,0,0]=3 1647 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-3332396919 [0,1,0,0,0,1|2,0,0]=4 1648 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-4801234666 [0,1,0,0,0,1|2,0,0]=4 1649 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-5791932848 [0,1,0,0,0,1|2,0,0]=4 1650 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-7827323262 [0,1,0,0,0,1|2,0,0]=4 1651 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-4899971591 [0,1,0,0,0,1|1,0,0]=3 1652 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-5340713177 [0,1,0,0,0,1|1,0,0]=3 1653 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-6573369964 [0,1,0,0,0,1|1,0,0]=3 1654 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-9402335659 [0,1,0,0,0,1|1,0,0]=3 1655 B10R0.57 NCC(=O)C(N)CCC(=O)O MCULE-6909697909 [0,1,0,0,0,1|2,0,0]=4 1656 B10R0.82 CNC(=O)CCC(N)C(=O)O MCULE-2815144960 [0,1,0,0,0,1|2,0,0]=4 1657 B10R0.82 COC(=O)CCC(N)C(=O)N MCULE-2008488408 [0,1,0,0,0,1|2,0,0]=4 1658 B10R0.82 COC(=O)CCC(N)C(=O)N MCULE-4056733947 [0,1,0,0,0,1|2,0,0]=4 1659 B10R0.82 COC(=O)CCC(N)C(=O)O MCULE-1417445261 [0,1,0,0,0,1|1,0,0]=3 1660 B10R0.82 COC(=O)CCC(N)C(=O)O MCULE-1495018790 [0,1,0,0,0,1|1,0,0]=3 1661 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O MCULE-3233905582 [0,1,0,0,0,1|1,0,0]=3 1662 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O MCULE-4870656159 [0,1,0,0,0,1|1,0,0]=3 1663 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-4563541396 [0,1,0,0,0,1|2,0,0]=4 1664 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-5542631622 [0,1,0,0,0,1|2,0,0]=4 1665 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-5671338567 [0,1,0,0,0,1|2,0,0]=4 1666 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-7766792787 [0,1,0,0,0,1|2,0,0]=4 1667 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-1607830290 [0,1,0,0,0,1|1,0,0]=3 1668 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-7380350089 [0,1,0,0,0,1|1,0,0]=3 1669 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-7654158848 [0,1,0,0,0,1|1,0,0]=3 1670 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-8680968839 [0,1,0,0,0,1|1,0,0]=3 1671 B10R0.82 NC(CCC(=O)NO)C(=O)O MCULE-9353366308 [0,1,0,0,0,1|1,0,0]=3 1672 B10R0.82 NC(CCP(=O)CO)C(=O)O MCULE-2901685887 [0,1,0,0,0,1|1,0,0]=3 1673 B10R0.82 NC(CCP(=O)CO)C(=O)[O-] MCULE-4812114882 [0,1,0,0,0,1|1,0,1]=4 1674 B10R0.82 NCC(O)CCC(N)C(=O)O MCULE-6064290143 [0,1,0,0,0,1|2,0,0]=4 1675 B10R0.82 NCC(O)CCC(N)C(=O)O MCULE-6546706417 [0,1,0,0,0,1|2,0,0]=4 1676 B10R0.82 NCC(O)CC[C@H](N)C(=O)O MCULE-4925093695 [0,1,0,0,0,1|2,0,0]=4 1677 B10R0.82 NCC(O)CC[C@H](N)C(=O)O MCULE-7103430731 [0,1,0,0,0,1|2,0,0]=4 1678 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O MCULE-1390178110 [0,1,0,0,0,1|2,0,0]=4 1679 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O MCULE-7788161688 [0,1,0,0,0,1|2,0,0]=4 1680 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-7159441787 [0,1,0,0,0,1|1,0,0]=3 1681 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-9982940361 [0,1,0,0,0,1|1,0,0]=3 1682 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)O MCULE-1463462281 [0,1,0,0,0,1|2,0,0]=4 1683 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-1322979818 [0,1,0,0,0,1|1,0,0]=3 1684 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-9405643691 [0,1,0,0,0,1|1,0,0]=3 1685 B10R0.84 CN[C@H](CCC(=O)N)C(=O)O MCULE-2123714471 [0,1,0,0,0,1|2,0,0]=4 1686 B10R0.84 CN[C@H](CCC(=O)O)C(=O)O MCULE-1735782000 [0,1,0,0,0,1|1,0,0]=3 1687 B10R0.84 NN=C(CCC(=O)O)C(=O)O MCULE-4661582416 [0,1,0,0,0,1|1,0,1]=4 1688 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-1038057082 [0,1,0,0,0,1|1,0,0]=3 1689 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-7761179555 [0,1,0,0,0,1|1,0,0]=3 1690 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-2268954465 [0,1,0,0,0,1|1,0,1]=4 1691 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-2804558075 [0,1,0,0,0,1|1,0,1]=4 1692 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-7485004955 [0,1,0,0,0,1|1,0,1]=4 1693 B10R0.92 CS(=N)(=O)CC[C@@H](N)C(=O)O MCULE-3997574746 [0,1,0,0,0,1|1,0,1]=4 1694 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O MCULE-1068341907 [0,1,0,0,0,1|1,0,1]=4 1695 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O MCULE-3093123817 [0,1,0,0,0,1|1,0,1]=4 1696 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O MCULE-8107053430 [0,1,0,0,0,1|0,0,2]=4 1697 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-1126326759 [0,1,0,0,0,1|0,0,2]=4 1698 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-3558725435 [0,1,0,0,0,1|0,0,2]=4 1699 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-2269540933 [0,1,0,0,0,1|0,0,2]=4 1700 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-4203364916 [0,1,0,0,0,1|0,0,2]=4 1701 B10R0.92 CS(=O)(=O)SCC(N)C(=O)O MCULE-1061975394 [0,1,0,0,0,1|0,0,2]=4 1702 B10R0.92 NC(CCP(=O)(O)O)C(=O)O MCULE-2756478197 [0,1,0,0,0,1|1,0,0]=3 1703 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O MCULE-7377602601 [0,1,0,0,0,1|0,0,1]=3 1704 B10R0.92 NC(COP(=O)(O)O)C(=O)O MCULE-1695816394 [0,1,0,0,0,1|1,0,0]=3 1705 B10R0.92 NC(COS(=O)(=O)O)C(=O)O MCULE-5049646882 [0,1,0,0,0,1|0,0,1]=3 1706 B10R0.92 NC(CSS(=O)(=O)O)C(=O)[O-] MCULE-4046079265 [0,1,0,0,0,1|0,0,2]=4 1707 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3863533502 [0,1,0,0,0,1|1,0,0]=3 1708 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3988880216 [0,1,0,0,0,1|1,0,0]=3 1709 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O MCULE-8204260402 [0,1,0,0,0,1|0,0,1]=3 1710 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-3199737084 [0,1,0,0,0,1|1,0,0]=3 1711 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-4907212979 [0,1,0,0,0,1|1,0,0]=3 1712 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O MCULE-3746813647 [0,1,0,0,0,1|0,0,1]=3 1713 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O MCULE-9474608832 [0,1,0,0,0,1|0,0,1]=3 1714 B10R0.92 N[C@@H](COS(=O)(=O)[O-])C(=O)O MCULE-9200207665 [0,1,0,0,0,1|0,0,2]=4 1715 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)O MCULE-5127296011 [0,1,0,0,0,1|0,0,1]=3 1716 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)[O-] MCULE-1017024868 [0,1,0,0,0,1|0,0,2]=4 1717 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)[O-] MCULE-7847954389 [0,1,0,0,0,1|0,0,2]=4 1718 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O MCULE-4319868114 [0,1,0,0,0,1|1,0,0]=3 1719 B10R0.92 N[C@H](CCP(=O)([O-])O)C(=O)O MCULE-5292220353 [0,1,0,0,0,1|1,0,0]=3 1720 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-4002733556 [0,1,0,0,0,1|1,0,0]=3 1721 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-5554704102 [0,1,0,0,0,1|1,0,0]=3 1722 B10R0.92 O=C(O)C(O)COP(=O)(O)O MCULE-4022388447 [0,1,0,0,0,1|2,0,0]=4 1723 B10R0.92 [C@H](N)(CSS(=O)(=O)O)C(=O)O MCULE-9668444815 [0,1,0,0,0,1|0,0,1]=3 1724 B10R0.93 CC(CC(C)C(=O)O)C(=O)O MCULE-1153209267 [0,1,0,0,0,1|2,0,0]=4 1725 B10R0.93 CC(CC(N)C(=O)O)C(=O)O MCULE-4117547649 [0,1,0,0,0,1|1,0,0]=3 1726 B10R0.93 CC(N[C@@H](C)C(=O)O)C(=O)O MCULE-6318508526 [0,1,0,0,0,1|2,0,0]=4 1727 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2754578678 [0,1,0,0,0,1|1,0,0]=3 1728 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-7169309772 [0,1,0,0,0,1|1,0,0]=3 1729 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6469307664 [0,1,0,0,0,1|2,0,0]=4 1730 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6602424535 [0,1,0,0,0,1|2,0,0]=4 1731 B10R0.93 NC(CC(F)C(=O)O)C(=O)O MCULE-9589470454 [0,1,0,0,0,1|1,0,0]=3 1732 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-1335465688 [0,1,0,0,0,1|1,0,0]=3 1733 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-4470732128 [0,1,0,0,0,1|1,0,0]=3 1734 B10R0.93 NC(CC(O)C(=O)O)C(=O)O MCULE-2122152001 [0,1,0,0,0,1|1,0,0]=3 1735 B10R0.93 N[C@@H](CC(F)C(=O)O)C(=O)O MCULE-2625841366 [0,1,0,0,0,1|1,0,0]=3 1736 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5445779612 [0,1,0,0,0,1|1,0,0]=3 1737 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-9351036941 [0,1,0,0,0,1|1,0,0]=3 1738 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-2660596864 [0,1,0,0,0,1|1,0,0]=3 1739 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-6180379673 [0,1,0,0,0,1|1,0,0]=3 1740 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-5145554613 [0,1,0,0,0,1|1,0,0]=3 1741 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-9443069690 [0,1,0,0,0,1|1,0,0]=3 1742 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2341577942 [0,1,0,0,0,1|1,0,0]=3 1743 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-4495746010 [0,1,0,0,0,1|1,0,0]=3 1744 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6284302068 [0,1,0,0,0,1|1,0,0]=3 1745 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6384488635 [0,1,0,0,0,1|1,0,0]=3 1746 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6724681365 [0,1,0,0,0,1|1,0,0]=3 1747 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-8957870380 [0,1,0,0,0,1|1,0,0]=3 1748 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-2217204949 [0,1,0,0,0,1|1,0,0]=3 1749 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8271752005 [0,1,0,0,0,1|1,0,0]=3 1750 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-3848928339 [0,1,0,0,0,1|1,0,0]=3 1751 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-4424451348 [0,1,0,0,0,1|1,0,0]=3 1752 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5729704628 [0,1,0,0,0,1|1,0,0]=3 1753 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-8441844155 [0,1,0,0,0,1|1,0,0]=3 1754 B10R0.93 N[C@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8040485498 [0,1,0,0,0,1|1,0,0]=3 1755 B10R0.93 O=C(O)C(Br)CC(Br)C(=O)O MCULE-2429859248 [0,1,0,0,0,1|2,0,0]=4 1756 B10R0.93 O=C(O)C(O)SC(O)C(=O)O MCULE-2925160633 [0,1,0,0,0,1|2,0,0]=4 1757 B10R0.31 NC(=CC(=O)O)CP(=O)(O)O MCULE-1305156195 [0,1,0,0,0,1|1,0,1]=4 1758 B10R0.44 COC(=O)CC(C)CC(=O)O MCULE-2040975724 [0,1,0,0,0,1|2,0,0]=4 1759 B10R0.44 COC(=O)CC(C)CC(=O)O MCULE-8664626816 [0,1,0,0,0,1|2,0,0]=4 1760 B10R0.44 COC(=O)C[C@H](C)CC(=O)O MCULE-3674114279 [0,1,0,0,0,1|2,0,0]=4 1761 B10R0.44 COC(=O)C[C@H](C)CC(=O)O MCULE-7834226828 [0,1,0,0,0,1|2,0,0]=4 1762 B10R0.165 CC(C)(CC(=O)O)CC(=O)O MCULE-3688310273 [0,1,0,0,0,1|2,0,0]=4 1763 B10R0.165 CC(O)(CC(=O)O)CC(=O)O MCULE-9846508304 [0,1,0,0,0,1|2,0,0]=4 1764 B10R0.165 O=C(O)CC(F)(F)CC(=O)O MCULE-1340481205 [0,1,0,0,0,1|2,0,0]=4 1765 B10R0.47 COC(=O)CC(C)(C)C(=O)O MCULE-4222068236 [0,2,0,0,0,0|2,0,0]=4 1766 B10R0.117 CC(C)(C(N)C(=O)O)N(=O)=O MCULE-9002564501 [0,2,0,0,0,0|1,0,1]=4 1767 B10R0.117 CC(C)([C@H](N)C(=O)O)[N+](=O)[O-] MCULE-3869741264 [0,2,0,0,0,0|1,0,1]=4 1768 B10R0.117 O=C(O)C(F)C(F)(F)C(=O)O MCULE-7067726417 [0,2,0,0,0,0|2,0,0]=4 1769 B10R0.119 CC(CN)(CC(=O)O)C(=O)O MCULE-2103588985 [0,2,0,0,0,0|1,0,0]=3 1770 B10R0.119 CC(CN)(CC(=O)O)C(=O)O MCULE-8467010129 [0,2,0,0,0,0|1,0,0]=3 1771 B10R0.119 CCC(C)(CC(=O)O)C(=O)O MCULE-5857208842 [0,2,0,0,0,0|2,0,0]=4 1772 B10R0.141 COC(=O)C(C)(C)CC(=O)O MCULE-6122847743 [0,2,0,0,0,0|2,0,0]=4 1773 B10R0.32 CCOC(=O)C(N)CC(=O)C MCULE-5271354905 [0,2,0,0,0,0|2,0,0]=4 1774 B10R0.32 CCOC(=O)C(N)CC(=O)C MCULE-7720988971 [0,2,0,0,0,0|2,0,0]=4 1775 B10R0.32 CCOC(=O)C(N)CC(=O)N MCULE-2155920173 [0,2,0,0,0,0|2,0,0]=4 1776 B10R0.32 CCOC(=O)C(N)CC(=O)N MCULE-6061365230 [0,2,0,0,0,0|2,0,0]=4 1777 B10R0.32 CCOC(=O)[C@@H](N)CC(=O)O MCULE-8240292825 [0,2,0,0,0,0|1,0,0]=3 1778 B10R0.37 COC(=O)C(N)CC(C)(C)O MCULE-5883346797 [0,2,0,0,0,0|2,0,0]=4 1779 B10R0.46 COC(=O)CC(Br)C(=O)OC MCULE-3739337867 [0,2,0,0,0,0|2,0,0]=4 1780 B10R0.46 COC(=O)CC(C)C(=O)OC MCULE-1613501642 [0,2,0,0,0,0|2,0,0]=4 1781 B10R0.46 COC(=O)CC(N)C(=O)OC MCULE-1114099871 [0,2,0,0,0,0|1,0,0]=3 1782 B10R0.46 COC(=O)CC(N)C(=O)OC MCULE-3051634308 [0,2,0,0,0,0|1,0,0]=3 1783 B10R0.46 COC(=O)CC(N)C(=O)OC MCULE-6777150813 [0,2,0,0,0,0|1,0,0]=3 1784 B10R0.46 COC(=O)CC(N)C(=O)OC MCULE-8623143776 [0,2,0,0,0,0|1,0,0]=3 1785 B10R0.46 COC(=O)CC(O)C(=O)OC MCULE-7469251782 [0,2,0,0,0,0|2,0,0]=4 1786 B10R0.46 COC(=O)C[C@@H](C)C(=O)OC MCULE-3416186452 [0,2,0,0,0,0|2,0,0]=4 1787 B10R0.46 COC(=O)C[C@@H](C)C(=O)OC MCULE-8307638859 [0,2,0,0,0,0|2,0,0]=4 1788 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC MCULE-1851128210 [0,2,0,0,0,0|1,0,0]=3 1789 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC MCULE-2435405009 [0,2,0,0,0,0|1,0,0]=3 1790 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC MCULE-5664472093 [0,2,0,0,0,0|1,0,0]=3 1791 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC MCULE-9555102277 [0,2,0,0,0,0|1,0,0]=3 1792 B10R0.46 COC(=O)C[C@@H](O)C(=O)OC MCULE-1517388811 [0,2,0,0,0,0|2,0,0]=4 1793 B10R0.46 COC(=O)C[C@@H](O)C(=O)OC MCULE-9934344103 [0,2,0,0,0,0|2,0,0]=4 1794 B10R0.46 COC(=O)C[C@H](C)C(=O)OC MCULE-6913107439 [0,2,0,0,0,0|2,0,0]=4 1795 B10R0.46 COC(=O)C[C@H](C)C(=O)OC MCULE-7249009101 [0,2,0,0,0,0|2,0,0]=4 1796 B10R0.46 COC(=O)C[C@H](N)C(=O)OC MCULE-1761054458 [0,2,0,0,0,0|1,0,0]=3 1797 B10R0.46 COC(=O)C[C@H](N)C(=O)OC MCULE-2463653671 [0,2,0,0,0,0|1,0,0]=3 1798 B10R0.46 COC(=O)C[C@H](N)C(=O)OC MCULE-8138790792 [0,2,0,0,0,0|1,0,0]=3 1799 B10R0.46 COC(=O)C[C@H](N)C(=O)OC MCULE-9097536857 [0,2,0,0,0,0|1,0,0]=3 1800 B10R0.46 COC(=O)C[C@H](O)C(=O)OC MCULE-5763222655 [0,2,0,0,0,0|2,0,0]=4 1801 B10R0.46 COC(=O)C[C@H](O)C(=O)OC MCULE-8038750949 [0,2,0,0,0,0|2,0,0]=4 1802 B10R0.46 COC(=O)C[C@H](S)C(=O)OC MCULE-7841191977 [0,2,0,0,0,0|2,0,0]=4 1803 B10R0.54 CN[C@@H](CC(=O)O)C(=O)OC MCULE-4180877161 [0,2,0,0,0,0|1,0,0]=3 1804 B10R0.54 CN[C@@H](CC(=O)O)C(=O)OC MCULE-8047613409 [0,2,0,0,0,0|1,0,0]=3 1805 B10R0.56 COC(=O)C(O)C(O)C(=O)O MCULE-5767592339 [0,2,0,0,0,0|2,0,0]=4 1806 B10R0.23 CCCC(CC(=O)O)C(=O)O MCULE-5222720019 [0,2,0,0,0,0|2,0,0]=4 1807 B10R0.23 COCC(CC(=O)O)C(=O)O MCULE-7211279043 [0,2,0,0,0,0|2,0,0]=4 1808 B10R0.23 O=CNC(CC(=O)O)C(=O)O MCULE-1319737382 [0,2,0,0,0,0|1,0,0]=3 1809 B10R0.162 CC(C)C(CC(=O)O)C(=O)O MCULE-8647740549 [0,2,0,0,0,0|2,0,0]=4 1810 B10R0.162 CN(C)[C@@H](CC(=O)O)C(=O)O MCULE-5975487097 [0,2,0,0,0,0|1,0,0]=3 1811 B10R0.162 CN(C)[C@H](CC(=O)N)C(=O)O MCULE-9653422208 [0,2,0,0,0,0|2,0,0]=4 1812 B10R0.162 CN(C)[C@H](CC(=O)O)C(=O)O MCULE-7438928757 [0,2,0,0,0,0|1,0,0]=3 1813 B10R0.26 C=CCS(=O)CC(N)C(=O)O MCULE-1644221115 [0,2,0,0,0,0|1,0,0]=3 1814 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O MCULE-5403139844 [0,2,0,0,0,0|1,0,0]=3 1815 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O MCULE-6091538783 [0,2,0,0,0,0|1,0,0]=3 1816 B10R0.26 C=CC[S@](=O)C[C@H](N)C(=O)O MCULE-2127698614 [0,2,0,0,0,0|1,0,0]=3 1817 B10R0.26 C=CC[S@](=O)C[C@H](N)C(=O)O MCULE-6116290976 [0,2,0,0,0,0|1,0,0]=3 1818 B10R0.26 CC=CS(=O)C[C@H](N)C(=O)O MCULE-4397511090 [0,2,0,0,0,0|1,0,0]=3 1819 B10R0.26 CCCS(=O)CC(N)C(=O)O MCULE-8745806923 [0,2,0,0,0,0|1,0,0]=3 1820 B10R0.26 CCCS(=O)C[C@H](N)C(=O)O MCULE-6968745632 [0,2,0,0,0,0|1,0,0]=3 1821 B10R0.26 CCOC(=O)CC(N)C(=O)O MCULE-1325477968 [0,2,0,0,0,0|1,0,0]=3 1822 B10R0.67 COC(C)(C)CC(N)C(=O)O MCULE-1291000987 [0,2,0,0,0,0|2,0,0]=4 1823 B8R1.1 O=CC1COC(=O)C1 MCULE-7312168752 [1,0,0,1,0,0|2,0,0]=4 1824 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [1,0,0,1,0,0|2,0,0]=4 1825 B8R1.18 CC1CC(C(=O)O1)N MCULE-4414809681 [1,0,0,1,0,0|2,0,0]=4 1826 B8R1.18 CC1CC(C(=O)O1)N MCULE-7247771680 [1,0,0,1,0,0|2,0,0]=4 1827 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [1,0,0,1,0,0|2,0,0]=4 1828 B8R1.18 NC1CC(=O)NC1=O MCULE-6692452440 [1,0,0,1,0,0|2,0,0]=4 1829 B8R1.18 NC1CC(=O)NC1=O MCULE-8447671567 [1,0,0,1,0,0|2,0,0]=4 1830 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [1,0,0,1,0,0|1,0,0]=3 1831 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [1,0,0,1,0,0|1,0,0]=3 1832 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-1292090753 [1,0,0,1,0,0|2,0,0]=4 1833 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-9676397018 [1,0,0,1,0,0|2,0,0]=4 1834 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [1,0,0,1,0,0|1,0,0]=3 1835 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [1,0,0,1,0,0|1,0,0]=3 1836 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [1,0,0,1,0,0|1,0,0]=3 1837 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [1,0,0,1,0,0|1,0,0]=3 1838 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1052396743 [1,0,0,1,0,0|2,0,0]=4 1839 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1965803095 [1,0,0,1,0,0|2,0,0]=4 1840 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [1,0,0,1,0,0|1,0,0]=3 1841 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [1,0,0,1,0,0|1,0,0]=3 1842 B8R1.7 C1(CCOC1)C(=O)O MCULE-4859263225 [1,0,0,1,0,0|2,0,0]=4 1843 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [1,0,0,1,0,0|2,0,0]=4 1844 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [1,0,0,1,0,0|2,0,0]=4 1845 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [1,0,0,1,0,0|2,0,0]=4 1846 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [1,0,0,1,0,0|2,0,0]=4 1847 B8R1.7 O=C(O)C1CCOC1 MCULE-3567941338 [1,0,0,1,0,0|2,0,0]=4 1848 B8R1.7 O=C(O)C1COCN1 MCULE-4997392610 [1,0,0,1,0,0|1,1,0]=4 1849 B8R1.7 O=C(O)C1COCN1 MCULE-7001651226 [1,0,0,1,0,0|1,1,0]=4 1850 B8R1.7 O=C(O)C1CSCN1 MCULE-2391637686 [1,0,0,1,0,0|1,0,1]=4 1851 B8R1.7 O=C(O)C1CSCN1 MCULE-9622331370 [1,0,0,1,0,0|1,0,1]=4 1852 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [1,0,0,1,0,0|2,0,0]=4 1853 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [1,0,0,1,0,0|2,0,0]=4 1854 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [1,0,0,1,0,0|2,0,0]=4 1855 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [1,0,0,1,0,0|2,0,0]=4 1856 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-4807765276 [1,0,0,1,0,0|2,0,0]=4 1857 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-7912413581 [1,0,0,1,0,0|2,0,0]=4 1858 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1547472283 [1,0,0,1,0,0|1,1,0]=4 1859 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1876089066 [1,0,0,1,0,0|1,1,0]=4 1860 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1926856350 [1,0,0,1,0,0|1,1,0]=4 1861 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-9876695932 [1,0,0,1,0,0|1,1,0]=4 1862 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-4243406881 [1,0,0,1,0,0|1,0,1]=4 1863 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-6343154165 [1,0,0,1,0,0|1,0,1]=4 1864 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [1,0,0,1,0,0|2,0,0]=4 1865 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [1,0,0,1,0,0|2,0,0]=4 1866 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-3213766488 [1,0,0,1,0,0|2,0,0]=4 1867 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-9627397250 [1,0,0,1,0,0|2,0,0]=4 1868 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-6095527710 [1,0,0,1,0,0|1,0,1]=4 1869 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-9117444908 [1,0,0,1,0,0|1,0,1]=4 1870 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [1,0,0,1,0,0|1,0,0]=3 1871 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [1,0,0,1,0,0|2,0,0]=4 1872 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [1,0,0,1,0,0|2,0,0]=4 1873 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [1,0,0,1,0,0|2,0,0]=4 1874 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [1,0,0,1,0,0|2,0,0]=4 1875 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [1,0,0,1,0,0|2,0,0]=4 1876 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [1,0,0,1,0,0|2,0,0]=4 1877 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [1,0,0,1,0,0|2,0,0]=4 1878 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [1,0,0,1,0,0|1,0,0]=3 1879 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [1,0,0,1,0,0|2,0,0]=4 1880 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [1,0,0,1,0,0|1,0,0]=3 1881 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [1,0,0,1,0,0|1,0,0]=3 1882 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [1,0,0,1,0,0|1,0,0]=3 1883 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [1,0,0,1,0,0|1,0,0]=3 1884 B8R1.54 C(N)(C(=O)O)C1CC1 MCULE-4833544032 [1,0,0,1,0,0|2,0,0]=4 1885 B8R1.54 NC(C(=O)O)C1CC1 MCULE-1974514713 [1,0,0,1,0,0|2,0,0]=4 1886 B8R1.54 NC(C(=O)O)C1CC1 MCULE-3126466096 [1,0,0,1,0,0|2,0,0]=4 1887 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-5662004537 [1,0,0,1,0,0|2,0,0]=4 1888 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-9004548949 [1,0,0,1,0,0|2,0,0]=4 1889 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-4323013494 [1,0,0,1,0,0|2,0,0]=4 1890 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-9475774396 [1,0,0,1,0,0|2,0,0]=4 1891 B8R1.78 CC1(CCO1)C(=O)O MCULE-3206195959 [1,0,0,1,0,0|2,0,0]=4 1892 B8R1.78 C[C@@]1(CCO1)C(=O)O MCULE-1153504060 [1,0,0,1,0,0|2,0,0]=4 1893 B8R1.78 NC1(CCC1)C(=O)O MCULE-7741753062 [1,0,0,1,0,0|2,0,0]=4 1894 B8R1.78 NC1(CCC1)C(=O)O MCULE-8986168461 [1,0,0,1,0,0|2,0,0]=4 1895 B8R1.78 NC1(CNC1)C(=O)O MCULE-1078717796 [1,0,0,1,0,0|2,0,0]=4 1896 B8R1.78 NC1(CNC1)C(=O)O MCULE-1597584418 [1,0,0,1,0,0|2,0,0]=4 1897 B8R1.78 NC1(COC1)C(=O)O MCULE-2048452241 [1,0,0,1,0,0|1,1,0]=4 1898 B8R1.78 NC1(CSC1)C(=O)O MCULE-3865165435 [1,0,0,1,0,0|1,0,1]=4 1899 B8R1.78 NC1(CSC1)C(=O)O MCULE-7335919130 [1,0,0,1,0,0|1,0,1]=4 1900 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [1,0,0,1,0,0|2,0,0]=4 1901 B8R1.3 O=C1CCC(CO1)O MCULE-6372408261 [1,0,0,1,0,0|2,0,0]=4 1902 B8R1.3 O=C1CCS(=O)CC1 MCULE-5385870019 [1,0,0,1,0,0|2,0,0]=4 1903 B8R1.35 O=C(O)CCC1CO1 MCULE-1859826371 [1,0,0,1,0,0|2,0,0]=4 1904 B10R1.13 O=C(O)C1CCC(CN1)O MCULE-3204705068 [0,0,0,1,0,1|2,0,0]=4 1905 B10R1.13 O=C(O)C1CCC(CN1)O MCULE-7178398033 [0,0,0,1,0,1|2,0,0]=4 1906 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-1384355113 [0,0,0,1,0,1|2,0,0]=4 1907 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-1678351091 [0,0,0,1,0,1|2,0,0]=4 1908 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-5287470680 [0,0,0,1,0,1|2,0,0]=4 1909 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-7907264464 [0,0,0,1,0,1|2,0,0]=4 1910 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-2425882122 [0,0,0,1,0,1|2,0,0]=4 1911 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-3071319870 [0,0,0,1,0,1|2,0,0]=4 1912 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-3130571634 [0,0,0,1,0,1|2,0,0]=4 1913 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-4156067811 [0,0,0,1,0,1|2,0,0]=4 1914 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-6185299507 [0,0,0,1,0,1|2,0,0]=4 1915 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-8875046289 [0,0,0,1,0,1|2,0,0]=4 1916 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-2267551829 [0,0,0,1,0,1|2,0,0]=4 1917 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-7339394632 [0,0,0,1,0,1|2,0,0]=4 1918 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-7777420620 [0,0,0,1,0,1|2,0,0]=4 1919 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-9629486094 [0,0,0,1,0,1|2,0,0]=4 1920 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-3991583469 [0,0,0,1,0,1|2,0,0]=4 1921 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-8329848691 [0,0,0,1,0,1|2,0,0]=4 1922 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-8730600296 [0,0,0,1,0,1|2,0,0]=4 1923 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-4067834062 [0,0,0,1,0,1|2,0,0]=4 1924 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-8147757527 [0,0,0,1,0,1|2,0,0]=4 1925 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-4350301488 [0,0,0,1,0,1|2,0,0]=4 1926 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-6122427477 [0,0,0,1,0,1|2,0,0]=4 1927 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-7864506900 [0,0,0,1,0,1|2,0,0]=4 1928 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-8690683788 [0,0,0,1,0,1|2,0,0]=4 1929 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-2845724258 [0,0,0,1,0,1|2,0,0]=4 1930 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-4534690891 [0,0,0,1,0,1|2,0,0]=4 1931 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-5755683417 [0,0,0,1,0,1|2,0,0]=4 1932 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-6015971784 [0,0,0,1,0,1|2,0,0]=4 1933 B10R1.13 O=C1CNC(CN1)C(=O)O MCULE-1011618274 [0,0,0,1,0,1|2,0,0]=4 1934 B10R1.13 O=C1CNC(CN1)C(=O)O MCULE-9345081526 [0,0,0,1,0,1|2,0,0]=4 1935 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-1270509503 [0,0,0,1,0,1|2,0,0]=4 1936 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-5912128916 [0,0,0,1,0,1|2,0,0]=4 1937 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-6974754540 [0,0,0,1,0,1|2,0,0]=4 1938 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-9137341829 [0,0,0,1,0,1|2,0,0]=4 1939 B10R1.13 O=C1CN[C@H](CN1)C(=O)O MCULE-8928326150 [0,0,0,1,0,1|2,0,0]=4 1940 B10R1.13 [C@@H]1(CC[C@H](NC1)C(=O)O)O MCULE-1423621462 [0,0,0,1,0,1|2,0,0]=4 1941 B10R1.13 [C@@H]1(CC[C@H](NC1)C(=O)O)O MCULE-1814136074 [0,0,0,1,0,1|2,0,0]=4 1942 B10R1.349 O=C(O)C1CC(C1)C(=O)O MCULE-7515334695 [0,0,0,1,0,1|2,0,0]=4 1943 B10R1.349 O=C(O)C1CC(N1)C(=O)O MCULE-2441047831 [0,0,0,1,0,1|1,0,0]=3 1944 B10R1.349 O=C(O)[C@H]1C[C@@H](C1)C(=O)O MCULE-7021077384 [0,0,0,1,0,1|2,0,0]=4 1945 B10R1.349 O=C(O)[C@H]1C[C@H](C1)C(=O)O MCULE-2423808428 [0,0,0,1,0,1|2,0,0]=4 1946 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 MCULE-5768819085 [0,0,0,1,0,1|0,0,2]=4 1947 B10R1.360 CC1(CC1C(=O)O)C(=O)O MCULE-1315514899 [0,0,0,1,0,1|2,0,0]=4 1948 B10R1.470 CC1(CCC(=O)O1)C(=O)O MCULE-2009596037 [0,0,0,1,0,1|2,0,0]=4 1949 B10R1.54 O=C(O)CC1CC(CN1)O MCULE-7161298106 [0,0,0,1,0,1|2,0,0]=4 1950 B10R1.54 O=C(O)CC1CC(CN1)O MCULE-8476180516 [0,0,0,1,0,1|2,0,0]=4 1951 B10R1.54 O=C(O)CC1COC(=O)C1 MCULE-9024324984 [0,0,0,1,0,1|2,0,0]=4 1952 B10R1.54 O=C(O)C[C@@H]1CC(CN1)O MCULE-5520496479 [0,0,0,1,0,1|2,0,0]=4 1953 B10R1.54 O=C(O)C[C@@H]1CC(CN1)O MCULE-9606256613 [0,0,0,1,0,1|2,0,0]=4 1954 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-1516021519 [0,0,0,1,0,1|2,0,0]=4 1955 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-4246846585 [0,0,0,1,0,1|2,0,0]=4 1956 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-5090681884 [0,0,0,1,0,1|2,0,0]=4 1957 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-6554402545 [0,0,0,1,0,1|2,0,0]=4 1958 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-8720083389 [0,0,0,1,0,1|2,0,0]=4 1959 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-9359661762 [0,0,0,1,0,1|2,0,0]=4 1960 B10R1.54 O=C(O)C[C@H]1COC(=O)N1 MCULE-1807368276 [0,0,0,1,0,1|2,0,0]=4 1961 B10R1.282 CC1C(C1C(=O)O)C(=O)O MCULE-6282240195 [0,0,0,1,0,1|2,0,0]=4 1962 B10R1.442 O=C(O)CC1(CC1)C(=O)O MCULE-5389842845 [0,1,0,1,0,0|2,0,0]=4 1963 B10R1.566 NC1(CS(=O)(=O)C1)C(=O)O MCULE-6225932613 [0,1,0,1,0,0|0,0,2]=4 1964 B10R1.14 COC(=O)C1CC(CN1)O MCULE-7417308251 [0,1,0,1,0,0|2,0,0]=4 1965 B10R1.14 COC(=O)C1CC(CN1)O MCULE-8127150549 [0,1,0,1,0,0|2,0,0]=4 1966 B10R1.14 COC(=O)[C@@H]1CC(CN1)O MCULE-1283857272 [0,1,0,1,0,0|2,0,0]=4 1967 B10R1.14 COC(=O)[C@@H]1CC(CN1)O MCULE-1946068889 [0,1,0,1,0,0|2,0,0]=4 1968 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)O MCULE-5518895757 [0,1,0,1,0,0|2,0,0]=4 1969 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)O MCULE-5601019886 [0,1,0,1,0,0|2,0,0]=4 1970 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)O MCULE-7806570596 [0,1,0,1,0,0|2,0,0]=4 1971 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)O MCULE-9487428732 [0,1,0,1,0,0|2,0,0]=4 1972 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)O MCULE-3617032083 [0,1,0,1,0,0|2,0,0]=4 1973 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)O MCULE-3763938961 [0,1,0,1,0,0|2,0,0]=4 1974 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)O MCULE-4682429159 [0,1,0,1,0,0|2,0,0]=4 1975 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)O MCULE-5777795887 [0,1,0,1,0,0|2,0,0]=4 1976 B10R1.14 COC(=O)[C@H]1C[C@@H](CN1)O MCULE-1245408761 [0,1,0,1,0,0|2,0,0]=4 1977 B10R1.14 COC(=O)[C@H]1C[C@@H](CN1)O MCULE-3057383638 [0,1,0,1,0,0|2,0,0]=4 1978 B10R1.14 COC(=O)[C@H]1C[C@@H](CN1)O MCULE-4148644588 [0,1,0,1,0,0|2,0,0]=4 1979 B10R1.14 COC(=O)[C@H]1C[C@@H](CN1)O MCULE-9267825535 [0,1,0,1,0,0|2,0,0]=4 1980 B10R1.14 COC(=O)[C@H]1C[C@H](CN1)O MCULE-1940578186 [0,1,0,1,0,0|2,0,0]=4 1981 B10R1.14 COC(=O)[C@H]1C[C@H](CN1)O MCULE-2778952777 [0,1,0,1,0,0|2,0,0]=4 1982 B10R1.14 COC(=O)[C@H]1C[C@H](CN1)O MCULE-5090473531 [0,1,0,1,0,0|2,0,0]=4 1983 B10R1.14 COC(=O)[C@H]1C[C@H](CN1)O MCULE-6223710798 [0,1,0,1,0,0|2,0,0]=4 1984 B10R1.14 [C@@H]1(CN[C@H](C1)C(=O)OC)O MCULE-2597929891 [0,1,0,1,0,0|2,0,0]=4 1985 B10R1.14 [C@@H]1(CN[C@H](C1)C(=O)OC)O MCULE-4487472832 [0,1,0,1,0,0|2,0,0]=4 1986 B10R1.194 CC1C(=O)OCC1C(=O)O MCULE-8491867617 [0,1,0,1,0,0|2,0,0]=4 1987 B10R1.408 COC(=O)C1CC1C(=O)O MCULE-7866234212 [0,1,0,1,0,0|2,0,0]=4 1988 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O MCULE-3699835184 [0,1,0,1,0,0|2,0,0]=4 1989 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O MCULE-8154738068 [0,1,0,1,0,0|2,0,0]=4 1990 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O MCULE-5512209759 [0,1,0,1,0,0|2,0,0]=4 1991 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O MCULE-9728286418 [0,1,0,1,0,0|2,0,0]=4 1992 B10R1.408 COC(=O)[C@H]1C[C@@H]1C(=O)O MCULE-2394122729 [0,1,0,1,0,0|2,0,0]=4 1993 B10R1.408 COC(=O)[C@H]1C[C@H]1C(=O)O MCULE-9017164187 [0,1,0,1,0,0|2,0,0]=4 1994 B10R1.408 [C@H]1(C[C@H]1C(=O)OC)C(=O)O MCULE-5989838336 [0,1,0,1,0,0|2,0,0]=4 1995 B10R1.424 COC(=O)C1(CC(C1)O)N MCULE-2255959476 [0,1,0,1,0,0|2,0,0]=4 1996 B10R1.424 COC(=O)C1(CC(C1)O)N MCULE-4743840504 [0,1,0,1,0,0|2,0,0]=4 1997 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-2758341308 [0,1,0,1,0,0|2,0,0]=4 1998 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-7585455422 [0,1,0,1,0,0|2,0,0]=4 1999 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-1307689360 [0,1,0,1,0,0|2,0,0]=4 2000 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-6671293935 [0,1,0,1,0,0|2,0,0]=4 2001 B10R1.113 O=C(O)C1CS(=O)CCN1 MCULE-2725116552 [0,1,0,1,0,0|1,0,0]=3 2002 B10R1.113 O=C(O)C1CS(=O)CCN1 MCULE-7493333189 [0,1,0,1,0,0|1,0,0]=3 2003 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-1390000123 [0,1,0,1,0,0|2,0,0]=4 2004 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-5873942206 [0,1,0,1,0,0|2,0,0]=4 2005 B10R1.113 O=C(O)[C@@H]1C[C@H](CCN1)O MCULE-5317131791 [0,1,0,1,0,0|2,0,0]=4 2006 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1474484031 [0,1,0,1,0,0|2,0,0]=4 2007 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1820373402 [0,1,0,1,0,0|2,0,0]=4 2008 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4771226737 [0,1,0,1,0,0|2,0,0]=4 2009 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4907773186 [0,1,0,1,0,0|2,0,0]=4 2010 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-8175624129 [0,1,0,1,0,0|2,0,0]=4 2011 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-4751772547 [0,1,0,1,0,0|2,0,0]=4 2012 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-6686826243 [0,1,0,1,0,0|2,0,0]=4 2013 B10R1.113 O=C1CC(CNN1)C(=O)O MCULE-4653652849 [0,1,0,1,0,0|2,0,0]=4 2014 B10R1.113 O=C1CC(CNN1)C(=O)O MCULE-5555795045 [0,1,0,1,0,0|2,0,0]=4 2015 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-6916176336 [0,1,0,1,0,0|2,0,0]=4 2016 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-9262761817 [0,1,0,1,0,0|2,0,0]=4 2017 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-1115212106 [0,1,0,1,0,0|2,0,0]=4 2018 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5896394571 [0,1,0,1,0,0|2,0,0]=4 2019 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5937606037 [0,1,0,1,0,0|2,0,0]=4 2020 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-7073629862 [0,1,0,1,0,0|2,0,0]=4 2021 B10R1.361 O=C(O)C1CCC1C(=O)O MCULE-6136792366 [0,1,0,1,0,0|2,0,0]=4 2022 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-2743190923 [0,1,0,1,0,0|2,0,0]=4 2023 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-6841335407 [0,1,0,1,0,0|2,0,0]=4 2024 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-3432000151 [0,1,0,1,0,0|2,0,0]=4 2025 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-6937334278 [0,1,0,1,0,0|2,0,0]=4 2026 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O MCULE-8609403409 [0,1,0,1,0,0|2,0,0]=4 2027 B10R1.361 [C@@H]1(CC[C@@H]1C(=O)O)C(=O)O MCULE-4637916300 [0,1,0,1,0,0|2,0,0]=4 2028 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)O MCULE-2339543928 [0,1,0,1,0,0|2,0,0]=4 2029 B10R1.31 CO[C@H]1CN[C@@H](C1)C(=O)O MCULE-2951589630 [0,1,0,1,0,0|2,0,0]=4 2030 B10R1.490 CO[C@H]1C[C@](C1)(N)C(=O)O MCULE-7267565968 [0,1,0,1,0,0|2,0,0]=4 2031 B10R1.490 NC1(CC(C1)CO)C(=O)O MCULE-1855927879 [0,1,0,1,0,0|2,0,0]=4 2032 B10R1.490 N[C@@]1(C[C@H](C1)CO)C(=O)O MCULE-2462435991 [0,1,0,1,0,0|2,0,0]=4 2033 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [1,0,0,0,0,1|2,0,0]=4 2034 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [1,0,0,0,0,1|2,0,0]=4 2035 B8R0.28 CC(=O)NCCS(=O)C MCULE-1283027669 [1,0,0,0,0,1|2,0,0]=4 2036 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [1,0,0,0,0,1|2,0,0]=4 2037 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [1,0,0,0,0,1|2,0,0]=4 2038 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [1,0,0,0,0,1|2,0,0]=4 2039 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [1,0,0,0,0,1|2,0,0]=4 2040 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [1,0,0,0,0,1|2,0,0]=4 2041 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [1,0,0,0,0,1|2,0,0]=4 2042 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [1,0,0,0,0,1|2,0,0]=4 2043 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [1,0,0,0,0,1|2,0,0]=4 2044 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [1,0,0,0,0,1|1,0,1]=4 2045 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [1,0,0,0,0,1|1,0,1]=4 2046 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [1,0,0,0,0,1|1,0,0]=3 2047 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [1,0,0,0,0,1|1,0,1]=4 2048 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [1,0,0,0,0,1|1,0,0]=3 2049 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [1,0,0,0,0,1|1,0,0]=3 2050 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [1,0,0,0,0,1|1,0,0]=3 2051 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [1,0,0,0,0,1|1,0,1]=4 2052 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [1,0,0,0,0,1|1,0,1]=4 2053 B10R0.96 CC(CCC(=O)O)CC(=O)O MCULE-7386549049 [0,0,0,0,0,2|2,0,0]=4 2054 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-1721699813 [0,0,0,0,0,2|2,0,0]=4 2055 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-7525360323 [0,0,0,0,0,2|2,0,0]=4 2056 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-3003314518 [0,0,0,0,0,2|2,0,0]=4 2057 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-7683510788 [0,0,0,0,0,2|2,0,0]=4 2058 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8316748928 [0,0,0,0,0,2|2,0,0]=4 2059 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8667775229 [0,0,0,0,0,2|2,0,0]=4 2060 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-2836546299 [0,0,0,0,0,2|2,0,0]=4 2061 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4298371176 [0,0,0,0,0,2|2,0,0]=4 2062 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4441176096 [0,0,0,0,0,2|2,0,0]=4 2063 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-5599562900 [0,0,0,0,0,2|2,0,0]=4 2064 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8155260586 [0,0,0,0,0,2|1,0,0]=3 2065 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8574900055 [0,0,0,0,0,2|1,0,0]=3 2066 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-5068946859 [0,0,0,0,0,2|1,0,0]=3 2067 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8151605170 [0,0,0,0,0,2|1,0,0]=3 2068 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8505675120 [0,0,0,0,0,2|1,0,0]=3 2069 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-9871725008 [0,0,0,0,0,2|1,0,0]=3 2070 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-3923729315 [0,0,0,0,0,2|1,0,0]=3 2071 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-6851763365 [0,0,0,0,0,2|1,0,0]=3 2072 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-5384056558 [0,0,0,0,0,2|2,0,0]=4 2073 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-9151560319 [0,0,0,0,0,2|2,0,0]=4 2074 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-7691334763 [0,0,0,0,0,2|2,0,0]=4 2075 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-9993433450 [0,0,0,0,0,2|2,0,0]=4 2076 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-5425852779 [0,0,0,0,0,2|2,0,0]=4 2077 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-6909234177 [0,0,0,0,0,2|2,0,0]=4 2078 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [0,0,0,0,0,2|1,0,0]=3 2079 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [0,0,0,0,0,2|1,0,0]=3 2080 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [0,0,0,0,0,2|1,0,0]=3 2081 B10R0.98 NC(CSCC(=O)O)C(=O)O MCULE-1997609241 [0,0,0,0,0,2|1,0,0]=3 2082 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [0,0,0,0,0,2|1,0,0]=3 2083 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [0,0,0,0,0,2|1,0,0]=3 2084 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3291004829 [0,0,0,0,0,2|1,0,0]=3 2085 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3828091379 [0,0,0,0,0,2|1,0,0]=3 2086 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [0,0,0,0,0,2|1,0,0]=3 2087 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [0,0,0,0,0,2|1,0,0]=3 2088 B10R0.98 O=C(O)CCCC(O)C(=O)O MCULE-5970708862 [0,0,0,0,0,2|2,0,0]=4 2089 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O MCULE-4157551693 [0,0,0,0,0,2|2,0,0]=4