0 B9R0.79 C=C(O)[C@@H](O)[C@@H](O)C(=C)O MCULE-4802689848 [0,0,0,0,0,0|2,2,0]=4 1 B9R0.79 CC(=C(C)C(=O)O)C(=O)O MCULE-7892331868 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.79 CC(=O)C(C)C(C)C(=O)C MCULE-1642593127 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.79 CC(=O)N(C)C(C)C(=O)O MCULE-8770175961 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [0,0,0,0,0,0|1,1,0]=2 7 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.79 CC(O)C(C)C(N)C(=O)O MCULE-2897656809 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-6535308910 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-8450789997 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [0,0,0,0,0,0|2,0,0]=2 12 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [0,0,0,0,0,0|2,0,0]=2 13 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,0,0,0,0,0|2,0,0]=2 14 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-1376333194 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-4005119004 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.79 NC(=O)C(O)C(O)C(=O)N MCULE-9698453363 [0,0,0,0,0,0|2,2,0]=4 17 B9R0.79 NC(C(=O)O)C(N)C(=O)O MCULE-8316230798 [0,0,0,0,0,0|2,0,0]=2 18 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [0,0,0,0,0,0|1,1,0]=2 19 B9R0.79 N[C@@H](C(=O)O)[C@@H](F)C(=O)O MCULE-2171226271 [0,0,0,0,0,0|2,0,0]=2 20 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-6540811499 [0,0,0,0,0,0|2,0,0]=2 21 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [0,0,0,0,0,0|1,1,0]=2 22 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [0,0,0,0,0,0|1,1,0]=2 23 B9R0.79 O=C(O)/C(=C(\O)/C(=O)O)/O MCULE-4694187983 [0,0,0,0,0,0|0,2,2]=4 24 B9R0.79 O=C(O)C(=C(Br)C(=O)O)Br MCULE-6375677777 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.79 O=C(O)C(=C(O)C(=O)O)O MCULE-1231900319 [0,0,0,0,0,0|0,2,2]=4 26 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O MCULE-5784765255 [0,0,0,0,0,0|2,0,0]=2 27 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-1129308393 [0,0,0,0,0,0|0,2,0]=2 28 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [0,0,0,0,0,0|0,2,0]=2 29 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [0,0,0,0,0,0|0,2,0]=2 30 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [0,0,0,0,0,0|0,2,0]=2 31 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [0,0,0,0,0,0|0,2,0]=2 32 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [0,0,0,0,0,0|0,2,0]=2 33 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [0,0,0,0,0,0|0,2,0]=2 34 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [0,0,0,0,0,0|0,2,0]=2 35 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [0,0,0,0,0,0|0,2,0]=2 36 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [0,0,0,0,0,0|0,2,0]=2 37 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [0,0,0,0,0,0|0,2,0]=2 38 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [0,0,0,0,0,0|0,2,0]=2 39 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [0,0,0,0,0,0|0,2,0]=2 40 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [0,0,0,0,0,0|0,2,0]=2 41 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [0,0,0,0,0,0|0,2,0]=2 42 B9R0.79 O=C(O)C(S)C(S)C(=O)O MCULE-6206640169 [0,0,0,0,0,0|0,0,0]=0 43 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [0,0,0,0,0,0|0,2,0]=2 44 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [0,0,0,0,0,0|0,2,0]=2 45 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [0,0,0,0,0,0|0,2,0]=2 46 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [0,0,0,0,0,0|0,2,0]=2 47 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [0,0,0,0,0,0|0,2,0]=2 48 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [0,0,0,0,0,0|0,2,0]=2 49 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [0,0,0,0,0,0|0,2,0]=2 50 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [0,0,0,0,0,0|0,2,0]=2 51 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O MCULE-4542712392 [0,0,0,0,0,0|2,0,0]=2 52 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-1568229930 [0,0,0,0,0,0|0,2,0]=2 53 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [0,0,0,0,0,0|0,2,0]=2 54 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [0,0,0,0,0,0|0,2,0]=2 55 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [0,0,0,0,0,0|0,2,0]=2 56 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [0,0,0,0,0,0|0,2,0]=2 57 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [0,0,0,0,0,0|0,2,0]=2 58 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O MCULE-4953802229 [0,0,0,0,0,0|0,0,0]=0 59 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-7425540478 [0,0,0,0,0,0|0,2,1]=3 60 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-8338522673 [0,0,0,0,0,0|0,2,1]=3 61 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] MCULE-1120076524 [0,0,0,0,0,0|0,2,2]=4 62 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] MCULE-4518735246 [0,0,0,0,0,0|0,2,2]=4 63 B9R0.79 O=C([O-])[C@@H](O)[C@H](O)C(=O)O MCULE-2803273406 [0,0,0,0,0,0|0,2,1]=3 64 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-3429484887 [0,0,0,0,0,0|0,2,1]=3 65 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-5385898917 [0,0,0,0,0,0|0,2,1]=3 66 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-9680288022 [0,0,0,0,0,0|0,2,1]=3 67 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-5904390200 [0,0,0,0,0,0|0,2,2]=4 68 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-7305038555 [0,0,0,0,0,0|0,2,2]=4 69 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-9168226203 [0,0,0,0,0,0|0,2,2]=4 70 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-9463773027 [0,0,0,0,0,0|0,2,2]=4 71 B9R0.79 [C@@H](N)(C(=O)O)[C@@H](C)C(C)O MCULE-7488780154 [0,0,0,0,0,0|3,0,1]=4 72 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [0,0,0,0,0,0|0,2,0]=2 73 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [0,0,0,0,0,0|0,2,0]=2 74 B9R0.79 [C@H](O)(C(=O)[O-])[C@@H](O)C(=O)O MCULE-7449957572 [0,0,0,0,0,0|0,2,1]=3 75 B8R0.2 C=CC(C)C(C)C(=O)O MCULE-6762624939 [1,0,0,0,0,0|3,0,0]=4 76 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [1,0,0,0,0,0|0,2,1]=4 77 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [1,0,0,0,0,0|0,2,1]=4 78 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [1,0,0,0,0,0|0,2,1]=4 79 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [1,0,0,0,0,0|1,0,2]=4 80 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [1,0,0,0,0,0|3,0,0]=4 81 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [1,0,0,0,0,0|1,0,2]=4 82 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [1,0,0,0,0,0|1,0,2]=4 83 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [1,0,0,0,0,0|3,0,0]=4 84 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [1,0,0,0,0,0|3,0,0]=4 85 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [1,0,0,0,0,0|3,0,0]=4 86 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [1,0,0,0,0,0|3,0,0]=4 87 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [1,0,0,0,0,0|3,0,0]=4 88 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [1,0,0,0,0,0|3,0,0]=4 89 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [1,0,0,0,0,0|3,0,0]=4 90 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [1,0,0,0,0,0|3,0,0]=4 91 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [1,0,0,0,0,0|3,0,0]=4 92 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [1,0,0,0,0,0|3,0,0]=4 93 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [1,0,0,0,0,0|3,0,0]=4 94 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [1,0,0,0,0,0|3,0,0]=4 95 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [1,0,0,0,0,0|2,1,0]=4 96 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [1,0,0,0,0,0|1,0,1]=3 97 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [1,0,0,0,0,0|3,0,0]=4 98 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [1,0,0,0,0,0|3,0,0]=4 99 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [1,0,0,0,0,0|1,0,2]=4 100 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [1,0,0,0,0,0|2,0,0]=3 101 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [1,0,0,0,0,0|2,0,0]=3 102 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [1,0,0,0,0,0|2,0,0]=3 103 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [1,0,0,0,0,0|2,0,0]=3 104 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [1,0,0,0,0,0|2,0,0]=3 105 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [1,0,0,0,0,0|2,1,0]=4 106 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [1,0,0,0,0,0|1,1,0]=3 107 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [1,0,0,0,0,0|3,0,0]=4 108 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [1,0,0,0,0,0|3,0,0]=4 109 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [1,0,0,0,0,0|3,0,0]=4 110 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [1,0,0,0,0,0|3,0,0]=4 111 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [1,0,0,0,0,0|3,0,0]=4 112 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [1,0,0,0,0,0|3,0,0]=4 113 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [1,0,0,0,0,0|3,0,0]=4 114 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [1,0,0,0,0,0|3,0,0]=4 115 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [1,0,0,0,0,0|3,0,0]=4 116 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [1,0,0,0,0,0|3,0,0]=4 117 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [1,0,0,0,0,0|3,0,0]=4 118 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [1,0,0,0,0,0|3,0,0]=4 119 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [1,0,0,0,0,0|3,0,0]=4 120 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [1,0,0,0,0,0|3,0,0]=4 121 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [1,0,0,0,0,0|2,0,0]=3 122 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [1,0,0,0,0,0|1,0,0]=2 123 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [1,0,0,0,0,0|1,0,0]=2 124 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [1,0,0,0,0,0|3,0,0]=4 125 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [1,0,0,0,0,0|3,0,0]=4 126 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [1,0,0,0,0,0|2,0,1]=4 127 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [1,0,0,0,0,0|2,0,1]=4 128 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [1,0,0,0,0,0|3,0,0]=4 129 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [1,0,0,0,0,0|3,0,0]=4 130 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [1,0,0,0,0,0|3,0,0]=4 131 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [1,0,0,0,0,0|3,0,0]=4 132 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [1,0,0,0,0,0|1,0,0]=2 133 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [1,0,0,0,0,0|1,0,0]=2 134 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [1,0,0,0,0,0|2,0,1]=4 135 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [1,0,0,0,0,0|2,0,1]=4 136 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [1,0,0,0,0,0|2,0,1]=4 137 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [1,0,0,0,0,0|2,0,1]=4 138 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [1,0,0,0,0,0|2,0,1]=4 139 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [1,0,0,0,0,0|2,0,1]=4 140 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [1,0,0,0,0,0|1,0,0]=2 141 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [1,0,0,0,0,0|1,0,0]=2 142 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [1,0,0,0,0,0|3,0,0]=4 143 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [1,0,0,0,0,0|2,0,1]=4 144 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [1,0,0,0,0,0|3,0,0]=4 145 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [1,0,0,0,0,0|2,0,0]=3 146 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [1,0,0,0,0,0|2,0,0]=3 147 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [1,0,0,0,0,0|2,0,0]=3 148 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [1,0,0,0,0,0|3,0,0]=4 149 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [1,0,0,0,0,0|2,0,0]=3 150 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [1,0,0,0,0,0|2,0,0]=3 151 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [1,0,0,0,0,0|3,0,0]=4 152 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [1,0,0,0,0,0|3,0,0]=4 153 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [1,0,0,0,0,0|3,0,0]=4 154 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [1,0,0,0,0,0|3,0,0]=4 155 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [1,0,0,0,0,0|2,0,0]=3 156 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [1,0,0,0,0,0|2,0,0]=3 157 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [1,0,0,0,0,0|3,0,0]=4 158 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [1,0,0,0,0,0|2,0,0]=3 159 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [1,0,0,0,0,0|2,0,0]=3 160 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [1,0,0,0,0,0|2,0,0]=3 161 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [1,0,0,0,0,0|2,0,0]=3 162 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [1,0,0,0,0,0|2,0,0]=3 163 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [1,0,0,0,0,0|2,0,0]=3 164 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [1,0,0,0,0,0|1,0,0]=2 165 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [1,0,0,0,0,0|1,0,0]=2 166 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [1,0,0,0,0,0|1,0,1]=3 167 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [1,0,0,0,0,0|1,0,1]=3 168 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [1,0,0,0,0,0|1,0,1]=3 169 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [1,0,0,0,0,0|1,0,2]=4 170 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [1,0,0,0,0,0|1,0,2]=4 171 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [1,0,0,0,0,0|1,0,0]=2 172 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [1,0,0,0,0,0|1,0,0]=2 173 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [1,0,0,0,0,0|1,0,1]=3 174 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [1,0,0,0,0,0|1,0,1]=3 175 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [1,0,0,0,0,0|1,0,2]=4 176 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [1,0,0,0,0,0|1,0,2]=4 177 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [1,0,0,0,0,0|1,0,2]=4 178 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [1,0,0,0,0,0|1,0,2]=4 179 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [1,0,0,0,0,0|1,0,2]=4 180 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [1,0,0,0,0,0|2,0,0]=3 181 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [1,0,0,0,0,0|2,0,0]=3 182 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [1,0,0,0,0,0|1,0,0]=2 183 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [1,0,0,0,0,0|1,0,2]=4 184 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [1,0,0,0,0,0|1,0,2]=4 185 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [1,0,0,0,0,0|1,0,2]=4 186 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [1,0,0,0,0,0|0,1,1]=3 187 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [1,0,0,0,0,0|1,0,0]=2 188 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [1,0,0,0,0,0|1,0,0]=2 189 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [1,0,0,0,0,0|1,0,0]=2 190 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [1,0,0,0,0,0|0,1,0]=2 191 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [1,0,0,0,0,0|0,1,0]=2 192 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [1,0,0,0,0,0|0,1,0]=2 193 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [1,0,0,0,0,0|0,0,0]=1 194 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [1,0,0,0,0,0|1,0,0]=2 195 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [1,0,0,0,0,0|1,0,0]=2 196 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [1,0,0,0,0,0|0,1,0]=2 197 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [1,0,0,0,0,0|0,1,0]=2 198 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [1,0,0,0,0,0|1,0,0]=2 199 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [1,0,0,0,0,0|1,0,0]=2 200 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [1,0,0,0,0,0|1,0,0]=2 201 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [1,0,0,0,0,0|0,1,0]=2 202 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [1,0,0,0,0,0|0,1,0]=2 203 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [1,0,0,0,0,0|0,1,1]=3 204 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [1,0,0,0,0,0|0,0,0]=1 205 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [1,0,0,0,0,0|3,0,0]=4 206 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [1,0,0,0,0,0|1,0,0]=2 207 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [1,0,0,0,0,0|3,0,0]=4 208 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [1,0,0,0,0,0|2,0,1]=4 209 B8R0.23 [NH3+][C@@H](CC(=O)[O-])C(=O)[O-] MCULE-1215535631 [1,0,0,0,0,0|1,0,2]=4 210 B10R0.56 COC(=O)C(O)C(O)C(=O)O MCULE-5767592339 [0,1,0,0,0,0|0,2,0]=3 211 B10R0.56 COC(=O)N(C)C(C)C(=O)O MCULE-4638063780 [0,1,0,0,0,0|3,0,0]=4 212 B10R0.56 COC(=O)N(C)[C@@H](C)C(=O)O MCULE-1516990203 [0,1,0,0,0,0|3,0,0]=4 213 B10R0.56 COC(=O)N(C)[C@@H](C)C(=O)O MCULE-7050195142 [0,1,0,0,0,0|3,0,0]=4 214 B10R0.56 COC(=O)N(C)[C@H](C)C(=O)O MCULE-3862916687 [0,1,0,0,0,0|3,0,0]=4 215 B10R0.117 O=C(O)C(F)C(F)(F)C(=O)O MCULE-7067726417 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.194 CC1C(=O)OCC1C(=O)O MCULE-8491867617 [0,0,0,1,0,0|2,0,0]=3 217 B10R1.194 CN1C(=O)OCC1C(=O)O MCULE-8242069751 [0,0,0,1,0,0|3,0,0]=4 218 B10R1.360 CC1(CC1C(=O)O)C(=O)O MCULE-1315514899 [0,0,0,1,0,0|2,0,0]=3 219 B10R1.361 NC(=O)C1CCC1C(=O)O MCULE-3903818494 [0,0,0,1,0,0|3,0,0]=4 220 B10R1.361 O=C(O)C1CCC1C(=O)O MCULE-6136792366 [0,0,0,1,0,0|2,0,0]=3 221 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-2743190923 [0,0,0,1,0,0|2,0,0]=3 222 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-6841335407 [0,0,0,1,0,0|2,0,0]=3 223 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-3432000151 [0,0,0,1,0,0|2,0,0]=3 224 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-6937334278 [0,0,0,1,0,0|2,0,0]=3 225 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O MCULE-8609403409 [0,0,0,1,0,0|2,0,0]=3 226 B10R1.361 [C@@H]1(CC[C@@H]1C(=O)O)C(=O)O MCULE-4637916300 [0,0,0,1,0,0|2,0,0]=3 227 B10R0.13 CC(=O)C(C)C(C)CC(=O)O MCULE-2467523561 [0,0,0,0,0,1|3,0,0]=4 228 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-2960070749 [0,0,0,0,0,1|3,0,0]=4 229 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-7223559986 [0,0,0,0,0,1|3,0,0]=4 230 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-3196057448 [0,0,0,0,0,1|3,0,0]=4 231 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-4987228190 [0,0,0,0,0,1|3,0,0]=4 232 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-8785750681 [0,0,0,0,0,1|3,0,0]=4 233 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-9094583167 [0,0,0,0,0,1|3,0,0]=4 234 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-3332620674 [0,0,0,0,0,1|2,0,0]=3 235 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O MCULE-1191810017 [0,0,0,0,0,1|2,0,0]=3 236 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-6898866017 [0,0,0,0,0,1|2,0,0]=3 237 B10R0.13 C[C@H](CC(=O)O)[C@H](N)C(=O)O MCULE-5584040869 [0,0,0,0,0,1|2,0,0]=3 238 B10R0.13 N[C@@H](C(=O)O)[C@H](O)CC(=O)O MCULE-6540374220 [0,0,0,0,0,1|1,1,0]=3 239 B10R0.13 N[C@H](C(=O)O)[C@@H](F)CC(=O)O MCULE-4546449636 [0,0,0,0,0,1|2,0,0]=3 240 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-4149978058 [0,0,0,0,0,1|0,2,1]=4 241 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-8718049660 [0,0,0,0,0,1|0,2,1]=4 242 B10R0.93 CC(=CC(C)C(=O)O)C(=O)O MCULE-3307721023 [0,0,0,0,0,1|2,0,1]=4 243 B10R0.93 CC(CC(C)C(=O)O)C(=O)O MCULE-1153209267 [0,0,0,0,0,1|2,0,0]=3 244 B10R0.93 CC(CC(N)C(=O)O)C(=O)O MCULE-4117547649 [0,0,0,0,0,1|2,0,0]=3 245 B10R0.93 CC(N[C@@H](C)C(=O)O)C(=O)O MCULE-6318508526 [0,0,0,0,0,1|2,0,0]=3 246 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2754578678 [0,0,0,0,0,1|2,0,0]=3 247 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-7169309772 [0,0,0,0,0,1|2,0,0]=3 248 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6469307664 [0,0,0,0,0,1|3,0,0]=4 249 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6602424535 [0,0,0,0,0,1|3,0,0]=4 250 B10R0.93 NC(CC(F)C(=O)O)C(=O)O MCULE-9589470454 [0,0,0,0,0,1|2,0,0]=3 251 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-1335465688 [0,0,0,0,0,1|2,0,0]=3 252 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-4470732128 [0,0,0,0,0,1|2,0,0]=3 253 B10R0.93 NC(CC(O)C(=O)O)C(=O)O MCULE-2122152001 [0,0,0,0,0,1|1,1,0]=3 254 B10R0.93 N[C@@H](CC(F)C(=O)O)C(=O)O MCULE-2625841366 [0,0,0,0,0,1|2,0,0]=3 255 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5445779612 [0,0,0,0,0,1|2,0,0]=3 256 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-9351036941 [0,0,0,0,0,1|2,0,0]=3 257 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-2660596864 [0,0,0,0,0,1|1,1,0]=3 258 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-6180379673 [0,0,0,0,0,1|1,1,0]=3 259 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-5145554613 [0,0,0,0,0,1|2,0,0]=3 260 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-9443069690 [0,0,0,0,0,1|2,0,0]=3 261 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2341577942 [0,0,0,0,0,1|2,0,0]=3 262 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-4495746010 [0,0,0,0,0,1|2,0,0]=3 263 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6284302068 [0,0,0,0,0,1|2,0,0]=3 264 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6384488635 [0,0,0,0,0,1|2,0,0]=3 265 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6724681365 [0,0,0,0,0,1|2,0,0]=3 266 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-8957870380 [0,0,0,0,0,1|2,0,0]=3 267 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-2217204949 [0,0,0,0,0,1|1,1,0]=3 268 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8271752005 [0,0,0,0,0,1|1,1,0]=3 269 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-3848928339 [0,0,0,0,0,1|2,0,0]=3 270 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-4424451348 [0,0,0,0,0,1|2,0,0]=3 271 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5729704628 [0,0,0,0,0,1|2,0,0]=3 272 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-8441844155 [0,0,0,0,0,1|2,0,0]=3 273 B10R0.93 N[C@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8040485498 [0,0,0,0,0,1|1,1,0]=3 274 B10R0.93 O=C(O)C(Br)CC(Br)C(=O)O MCULE-2429859248 [0,0,0,0,0,1|2,0,0]=3 275 B10R0.93 O=C(O)C(O)SC(O)C(=O)O MCULE-2925160633 [0,0,0,0,0,1|0,2,0]=3 276 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [2,0,0,0,0,0|2,0,0]=4 277 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [2,0,0,0,0,0|2,0,0]=4 278 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [2,0,0,0,0,0|2,0,0]=4 279 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [2,0,0,0,0,0|1,1,0]=4 280 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [2,0,0,0,0,0|2,0,0]=4 281 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [2,0,0,0,0,0|1,0,1]=4 282 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [2,0,0,0,0,0|1,0,1]=4 283 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [2,0,0,0,0,0|1,0,1]=4 284 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [2,0,0,0,0,0|1,0,1]=4 285 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [2,0,0,0,0,0|1,0,1]=4 286 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [2,0,0,0,0,0|1,0,1]=4 287 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [2,0,0,0,0,0|1,0,1]=4 288 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [2,0,0,0,0,0|0,1,1]=4 289 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [2,0,0,0,0,0|0,1,1]=4 290 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [2,0,0,0,0,0|1,1,0]=4 291 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [2,0,0,0,0,0|2,0,0]=4 292 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [2,0,0,0,0,0|2,0,0]=4 293 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [2,0,0,0,0,0|2,0,0]=4 294 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [2,0,0,0,0,0|2,0,0]=4 295 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [2,0,0,0,0,0|2,0,0]=4 296 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [2,0,0,0,0,0|1,1,0]=4 297 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [2,0,0,0,0,0|2,0,0]=4 298 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [2,0,0,0,0,0|2,0,0]=4 299 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [2,0,0,0,0,0|2,0,0]=4 300 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [2,0,0,0,0,0|2,0,0]=4 301 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [2,0,0,0,0,0|1,1,0]=4 302 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [2,0,0,0,0,0|2,0,0]=4 303 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [2,0,0,0,0,0|2,0,0]=4 304 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [2,0,0,0,0,0|2,0,0]=4 305 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [2,0,0,0,0,0|2,0,0]=4 306 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [2,0,0,0,0,0|1,1,0]=4 307 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [2,0,0,0,0,0|1,0,1]=4 308 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [2,0,0,0,0,0|2,0,0]=4 309 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [2,0,0,0,0,0|2,0,0]=4 310 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [2,0,0,0,0,0|2,0,0]=4 311 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [2,0,0,0,0,0|1,0,1]=4 312 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [2,0,0,0,0,0|1,0,1]=4 313 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [2,0,0,0,0,0|2,0,0]=4 314 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [2,0,0,0,0,0|1,0,1]=4 315 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [2,0,0,0,0,0|1,0,1]=4 316 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [2,0,0,0,0,0|1,0,1]=4 317 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [2,0,0,0,0,0|1,0,1]=4 318 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [2,0,0,0,0,0|0,1,1]=4 319 B7R0.10 O=CC(O)C(O)C=O MCULE-3439629952 [2,0,0,0,0,0|0,2,0]=4 320 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [2,0,0,0,0,0|2,0,0]=4 321 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [2,0,0,0,0,0|2,0,0]=4 322 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [2,0,0,0,0,0|2,0,0]=4 323 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [2,0,0,0,0,0|2,0,0]=4 324 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [2,0,0,0,0,0|2,0,0]=4 325 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [2,0,0,0,0,0|2,0,0]=4 326 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [2,0,0,0,0,0|2,0,0]=4 327 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [2,0,0,0,0,0|2,0,0]=4 328 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [2,0,0,0,0,0|2,0,0]=4 329 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [2,0,0,0,0,0|2,0,0]=4 330 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [2,0,0,0,0,0|2,0,0]=4 331 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [2,0,0,0,0,0|2,0,0]=4 332 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [2,0,0,0,0,0|1,1,0]=4 333 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [2,0,0,0,0,0|2,0,0]=4 334 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [2,0,0,0,0,0|2,0,0]=4 335 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [2,0,0,0,0,0|2,0,0]=4 336 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [2,0,0,0,0,0|2,0,0]=4 337 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [2,0,0,0,0,0|2,0,0]=4 338 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [2,0,0,0,0,0|2,0,0]=4 339 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [2,0,0,0,0,0|2,0,0]=4 340 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [2,0,0,0,0,0|2,0,0]=4 341 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [2,0,0,0,0,0|2,0,0]=4 342 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [2,0,0,0,0,0|2,0,0]=4 343 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [2,0,0,0,0,0|2,0,0]=4 344 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [2,0,0,0,0,0|2,0,0]=4 345 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [2,0,0,0,0,0|1,0,0]=3 346 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [2,0,0,0,0,0|1,0,1]=4 347 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [2,0,0,0,0,0|2,0,0]=4 348 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [2,0,0,0,0,0|2,0,0]=4 349 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [2,0,0,0,0,0|2,0,0]=4 350 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [2,0,0,0,0,0|1,0,1]=4 351 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [2,0,0,0,0,0|2,0,0]=4 352 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [2,0,0,0,0,0|2,0,0]=4 353 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [2,0,0,0,0,0|1,0,0]=3 354 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [2,0,0,0,0,0|2,0,0]=4 355 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [2,0,0,0,0,0|2,0,0]=4 356 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [2,0,0,0,0,0|2,0,0]=4 357 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [2,0,0,0,0,0|0,0,2]=4 358 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [2,0,0,0,0,0|0,0,2]=4 359 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [2,0,0,0,0,0|0,0,2]=4 360 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [2,0,0,0,0,0|0,0,2]=4 361 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [2,0,0,0,0,0|0,0,2]=4 362 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [2,0,0,0,0,0|0,0,2]=4 363 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [2,0,0,0,0,0|0,0,2]=4 364 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [2,0,0,0,0,0|0,0,2]=4 365 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [2,0,0,0,0,0|0,0,2]=4 366 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [2,0,0,0,0,0|1,0,1]=4 367 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [2,0,0,0,0,0|0,0,0]=2 368 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [2,0,0,0,0,0|0,0,0]=2 369 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [2,0,0,0,0,0|1,0,1]=4 370 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [2,0,0,0,0,0|2,0,0]=4 371 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [2,0,0,0,0,0|0,0,1]=3 372 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [2,0,0,0,0,0|0,0,2]=4 373 B9R0.11 CC(=O)C(C)(C)CC(=O)O MCULE-3797968347 [1,1,0,0,0,0|2,0,0]=4 374 B9R0.11 CC(=O)CC(C)(C)C(=O)O MCULE-3548808704 [1,1,0,0,0,0|2,0,0]=4 375 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [1,1,0,0,0,0|1,0,0]=3 376 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [1,1,0,0,0,0|1,0,0]=3 377 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [1,1,0,0,0,0|1,0,0]=3 378 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [1,1,0,0,0,0|0,1,0]=3 379 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [1,1,0,0,0,0|1,0,0]=3 380 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [1,1,0,0,0,0|1,0,0]=3 381 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-5803295303 [1,1,0,0,0,0|2,0,0]=4 382 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-9662132548 [1,1,0,0,0,0|2,0,0]=4 383 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [1,1,0,0,0,0|1,0,0]=3 384 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [1,1,0,0,0,0|0,1,0]=3 385 B9R0.11 O=C(O)CC(F)(F)C(=O)O MCULE-7706048377 [1,1,0,0,0,0|1,0,0]=3 386 B9R0.11 O=C(O)CC(S)(S)C(=O)O MCULE-7344489814 [1,1,0,0,0,0|0,0,0]=2 387 B9R0.23 C(N)(CC(=O)O)C(=O)OC MCULE-3786901582 [1,1,0,0,0,0|1,0,0]=3 388 B9R0.23 C=C(CC(=O)O)C(=O)OC MCULE-6964816559 [1,1,0,0,0,0|1,0,1]=4 389 B9R0.23 COC(=O)C(C)CC(=O)C MCULE-2131243248 [1,1,0,0,0,0|2,0,0]=4 390 B9R0.23 COC(=O)C(C)CC(=O)O MCULE-5268313344 [1,1,0,0,0,0|1,0,0]=3 391 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-1752536252 [1,1,0,0,0,0|2,0,0]=4 392 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-5054924778 [1,1,0,0,0,0|2,0,0]=4 393 B9R0.23 COC(=O)C(N)CC(=O)O MCULE-7519781259 [1,1,0,0,0,0|1,0,0]=3 394 B9R0.23 COC(=O)N(C)CC(=O)O MCULE-6066208018 [1,1,0,0,0,0|2,0,0]=4 395 B9R0.23 COC(=O)[C@@H](C)CC(=O)O MCULE-8145746541 [1,1,0,0,0,0|1,0,0]=3 396 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-2903193624 [1,1,0,0,0,0|2,0,0]=4 397 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3686406545 [1,1,0,0,0,0|2,0,0]=4 398 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3726434187 [1,1,0,0,0,0|2,0,0]=4 399 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-9719605200 [1,1,0,0,0,0|2,0,0]=4 400 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-2094999701 [1,1,0,0,0,0|1,0,0]=3 401 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-9407721038 [1,1,0,0,0,0|1,0,0]=3 402 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4149383309 [1,1,0,0,0,0|0,1,0]=3 403 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4834047702 [1,1,0,0,0,0|0,1,0]=3 404 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3007207072 [1,1,0,0,0,0|2,0,0]=4 405 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3103219361 [1,1,0,0,0,0|2,0,0]=4 406 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-6097450650 [1,1,0,0,0,0|2,0,0]=4 407 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-7427879831 [1,1,0,0,0,0|2,0,0]=4 408 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-1453787543 [1,1,0,0,0,0|1,0,0]=3 409 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8348108837 [1,1,0,0,0,0|1,0,0]=3 410 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8725707708 [1,1,0,0,0,0|1,0,0]=3 411 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-2124989741 [1,1,0,0,0,0|0,1,0]=3 412 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-9803650256 [1,1,0,0,0,0|0,1,0]=3 413 B9R0.23 O=C(O)CC(Br)C(=O)CBr MCULE-5319460867 [1,1,0,0,0,0|2,0,0]=4 414 B9R0.23 [C@H](N)(CC(=O)O)C(=O)OC MCULE-3013306674 [1,1,0,0,0,0|1,0,0]=3 415 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-6378320219 [1,1,0,0,0,0|2,0,0]=4 416 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-8740981134 [1,1,0,0,0,0|2,0,0]=4 417 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-3293270590 [1,1,0,0,0,0|2,0,0]=4 418 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-8632971295 [1,1,0,0,0,0|2,0,0]=4 419 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-2338539483 [1,1,0,0,0,0|2,0,0]=4 420 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-7287452762 [1,1,0,0,0,0|2,0,0]=4 421 B9R0.39 CC=C(CC(=O)O)C(=O)O MCULE-9255608800 [1,1,0,0,0,0|1,0,1]=4 422 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [1,1,0,0,0,0|1,0,0]=3 423 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [1,1,0,0,0,0|1,0,0]=3 424 B9R0.39 CN[C@@H](CC(=O)N)C(=O)O MCULE-2449462396 [1,1,0,0,0,0|2,0,0]=4 425 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [1,1,0,0,0,0|1,0,0]=3 426 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [1,1,0,0,0,0|1,0,0]=3 427 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [1,1,0,0,0,0|1,0,0]=3 428 B9R0.39 CN[C@H](CC(=O)N)C(=O)O MCULE-2092394249 [1,1,0,0,0,0|2,0,0]=4 429 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [1,1,0,0,0,0|1,0,0]=3 430 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [1,1,0,0,0,0|1,0,0]=3 431 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [1,1,0,0,0,0|1,0,0]=3 432 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [1,1,0,0,0,0|0,1,0]=3 433 B9R0.39 NC(=O)NC(CS)C(=O)O MCULE-3558033323 [1,1,0,0,0,0|2,0,0]=4 434 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O MCULE-9735857877 [1,1,0,0,0,0|2,0,0]=4 435 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [1,1,0,0,0,0|1,0,0]=3 436 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [1,1,0,0,0,0|1,0,0]=3 437 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [1,1,0,0,0,0|2,0,0]=4 438 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [1,1,0,0,0,0|0,0,0]=2 439 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [1,1,0,0,0,0|1,0,0]=3 440 B9R0.42 C=C(CC(=O)OC)C(=O)O MCULE-1728748664 [1,1,0,0,0,0|1,0,1]=4 441 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [1,1,0,0,0,0|2,0,0]=4 442 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [1,1,0,0,0,0|2,0,0]=4 443 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [1,1,0,0,0,0|2,0,0]=4 444 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [1,1,0,0,0,0|2,0,0]=4 445 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [1,1,0,0,0,0|2,0,0]=4 446 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [1,1,0,0,0,0|2,0,0]=4 447 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [1,1,0,0,0,0|2,0,0]=4 448 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [1,1,0,0,0,0|2,0,0]=4 449 B9R0.42 COC(=O)CC(=O)C(=O)O MCULE-5008305161 [1,1,0,0,0,0|0,1,1]=4 450 B9R0.42 COC(=O)CC(Br)C(=O)C MCULE-7344095898 [1,1,0,0,0,0|2,0,0]=4 451 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-5595331018 [1,1,0,0,0,0|1,0,0]=3 452 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-9262719853 [1,1,0,0,0,0|1,0,0]=3 453 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [1,1,0,0,0,0|1,0,0]=3 454 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [1,1,0,0,0,0|1,0,0]=3 455 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [1,1,0,0,0,0|1,0,0]=3 456 B9R0.42 COC(=O)CC(O)C(=O)O MCULE-7105554854 [1,1,0,0,0,0|0,1,0]=3 457 B9R0.42 COC(=O)C[C@@H](C)C(=O)Cl MCULE-7326666072 [1,1,0,0,0,0|2,0,0]=4 458 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-4861767896 [1,1,0,0,0,0|1,0,0]=3 459 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-6107558545 [1,1,0,0,0,0|1,0,0]=3 460 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [1,1,0,0,0,0|1,0,0]=3 461 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [1,1,0,0,0,0|1,0,0]=3 462 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [1,1,0,0,0,0|1,0,0]=3 463 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [1,1,0,0,0,0|1,0,0]=3 464 B9R0.42 COC(=O)C[C@@H](O)C(=O)O MCULE-8916007864 [1,1,0,0,0,0|0,1,0]=3 465 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-1205037322 [1,1,0,0,0,0|1,0,0]=3 466 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-7536209773 [1,1,0,0,0,0|1,0,0]=3 467 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [1,1,0,0,0,0|1,0,0]=3 468 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [1,1,0,0,0,0|1,0,0]=3 469 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [1,1,0,0,0,0|1,0,0]=3 470 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [1,1,0,0,0,0|1,0,0]=3 471 B9R0.42 COC(=O)C[C@H](O)C(=O)O MCULE-9897810817 [1,1,0,0,0,0|0,1,0]=3 472 B9R0.42 COC(=O)NC(C)C(=O)O MCULE-9255316794 [1,1,0,0,0,0|2,0,0]=4 473 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-3970003504 [1,1,0,0,0,0|2,0,0]=4 474 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-7941497211 [1,1,0,0,0,0|2,0,0]=4 475 B9R0.42 NC(CN(O)N=O)C(=O)O MCULE-5880257959 [1,1,0,0,0,0|2,0,0]=4 476 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [1,1,0,0,0,0|2,0,0]=4 477 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [1,1,0,0,0,0|2,0,0]=4 478 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [1,1,0,0,0,0|1,0,0]=3 479 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O MCULE-5513289219 [1,1,0,0,0,0|2,0,0]=4 480 B9R0.42 [C@H](N)(CN(O)N=O)C(=O)O MCULE-4128156769 [1,1,0,0,0,0|2,0,0]=4 481 B9R0.57 NC(CP(=O)(O)O)C(=O)O MCULE-3742656954 [1,1,0,0,0,0|2,0,0]=4 482 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-3360025136 [1,1,0,0,0,0|2,0,0]=4 483 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-4680118250 [1,1,0,0,0,0|2,0,0]=4 484 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O MCULE-6935567843 [1,1,0,0,0,0|2,0,0]=4 485 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-1558128725 [1,1,0,0,0,0|2,0,0]=4 486 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-6109276112 [1,1,0,0,0,0|2,0,0]=4 487 B11R0.206 O=C(O)C(O)C(O)C(O)C(=O)O MCULE-4852574589 [0,1,0,0,0,1|0,2,0]=4 488 B11R0.169 NC(CC(F)(F)C(=O)O)C(=O)O MCULE-9496860126 [0,1,0,0,0,1|2,0,0]=4 489 B11R0.169 N[C@@H](CC(F)(F)C(=O)O)C(=O)O MCULE-6781805828 [0,1,0,0,0,1|2,0,0]=4 490 B11R0.275 CCC(C[C@H](N)C(=O)O)C(=O)O MCULE-1744478562 [0,1,0,0,0,1|2,0,0]=4 491 B11R0.66 COC(=O)C(Br)C(Br)C(=O)OC MCULE-9112666685 [0,2,0,0,0,0|2,0,0]=4 492 B11R0.66 COC(=O)C(N)C(O)C(=O)OC MCULE-4357107230 [0,2,0,0,0,0|1,1,0]=4 493 B11R0.66 COC(=O)C(N)C(O)C(=O)OC MCULE-5911741948 [0,2,0,0,0,0|1,1,0]=4 494 B11R0.66 COC(=O)C(O)C(O)C(=O)OC MCULE-4774009245 [0,2,0,0,0,0|0,2,0]=4 495 B11R0.66 COC(=O)[C@@H](Br)[C@H](Br)C(=O)OC MCULE-1130891891 [0,2,0,0,0,0|2,0,0]=4 496 B11R0.66 COC(=O)[C@@H](O)[C@@H](O)C(=O)OC MCULE-4143242485 [0,2,0,0,0,0|0,2,0]=4 497 B11R0.66 COC(=O)[C@@H](O)[C@H](O)C(=O)OC MCULE-1262746656 [0,2,0,0,0,0|0,2,0]=4 498 B11R0.66 COC(=O)[C@@H](O)[C@H](O)C(=O)OC MCULE-1511398364 [0,2,0,0,0,0|0,2,0]=4 499 B11R0.66 COC(=O)[C@H](Br)[C@@H](Br)C(=O)OC MCULE-8370711105 [0,2,0,0,0,0|2,0,0]=4 500 B11R0.66 COC(=O)[C@H](N)[C@@H](O)C(=O)OC MCULE-5855006134 [0,2,0,0,0,0|1,1,0]=4 501 B11R0.66 COC(=O)[C@H](O)[C@@H](O)C(=O)OC MCULE-2007760128 [0,2,0,0,0,0|0,2,0]=4 502 B11R0.66 [C@H](O)(C(=O)OC)[C@@H](O)C(=O)OC MCULE-8740293471 [0,2,0,0,0,0|0,2,0]=4 503 B11R0.287 COC(=O)C(C)(C)C(C)C(=O)O MCULE-2989615852 [0,2,0,0,0,0|2,0,0]=4 504 B11R0.287 COC(=O)C(C)(C)C(N)C(=O)O MCULE-6701682609 [0,2,0,0,0,0|2,0,0]=4 505 B11R0.296 CCC(C(=O)O)C(CC)C(=O)O MCULE-7362604126 [0,2,0,0,0,0|2,0,0]=4 506 B11R0.198 CC(C)(C(=O)O)C(C)(C)C(=O)O MCULE-9240600125 [0,2,0,0,0,0|2,0,0]=4 507 B11R0.198 CC(O)(C(=O)O)C(C)(O)C(=O)O MCULE-5420702283 [0,2,0,0,0,0|0,2,0]=4 508 B11R0.198 O=C(O)C(F)(F)C(F)(Cl)C(=O)O MCULE-6484735801 [0,2,0,0,0,0|2,0,0]=4 509 B11R0.198 O=C(O)C(F)(F)C(F)(F)C(=O)O MCULE-3120802573 [0,2,0,0,0,0|2,0,0]=4 510 B9R1.37 CC1C(=O)OC(=O)C1C MCULE-1136120780 [1,0,0,1,0,0|2,0,0]=4 511 B9R1.37 O=C1OC(=O)C(C1Br)Br MCULE-1918579313 [1,0,0,1,0,0|2,0,0]=4 512 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [1,0,0,1,0,0|2,0,0]=4 513 B9R1.35 CC(=O)C1COC(=O)C1 MCULE-4262262510 [1,0,0,1,0,0|2,0,0]=4 514 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [1,0,0,1,0,0|2,0,0]=4 515 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [1,0,0,1,0,0|1,0,0]=3 516 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [1,0,0,1,0,0|1,1,0]=4 517 B9R1.35 O=C1CC(NN1)C(=O)O MCULE-3197471189 [1,0,0,1,0,0|2,0,0]=4 518 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [1,0,0,1,0,0|2,0,0]=4 519 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [1,0,0,1,0,0|2,0,0]=4 520 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [1,0,0,1,0,0|2,0,0]=4 521 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [1,0,0,1,0,0|2,0,0]=4 522 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [1,0,0,1,0,0|2,0,0]=4 523 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [1,0,0,1,0,0|2,0,0]=4 524 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [1,0,0,1,0,0|2,0,0]=4 525 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [1,0,0,1,0,0|2,0,0]=4 526 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [1,0,0,1,0,0|2,0,0]=4 527 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [1,0,0,1,0,0|2,0,0]=4 528 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [1,0,0,1,0,0|2,0,0]=4 529 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [1,0,0,1,0,0|2,0,0]=4 530 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [1,0,0,1,0,0|2,0,0]=4 531 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [1,0,0,1,0,0|1,1,0]=4 532 B9R1.35 O=C1CSC(C1)C(=O)O MCULE-3309649635 [1,0,0,1,0,0|1,0,0]=3 533 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [1,0,0,1,0,0|2,0,0]=4 534 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [1,0,0,1,0,0|2,0,0]=4 535 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [1,0,0,1,0,0|2,0,0]=4 536 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [1,0,0,1,0,0|2,0,0]=4 537 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [1,0,0,1,0,0|2,0,0]=4 538 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [1,0,0,1,0,0|2,0,0]=4 539 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [1,0,0,1,0,0|2,0,0]=4 540 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [1,0,0,1,0,0|2,0,0]=4 541 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [1,0,0,1,0,0|2,0,0]=4 542 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [1,0,0,1,0,0|2,0,0]=4 543 B9R1.152 CC1(CC(=O)C1)C(=O)O MCULE-5766836727 [1,0,0,1,0,0|2,0,0]=4 544 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [1,0,0,1,0,0|2,0,0]=4 545 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [1,0,0,1,0,0|1,0,0]=3 546 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [1,0,0,1,0,0|0,1,0]=3 547 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [1,0,0,1,0,0|1,0,0]=3 548 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [1,0,0,1,0,0|1,0,0]=3 549 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [1,0,0,1,0,0|1,0,0]=3 550 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [1,0,0,1,0,0|0,1,0]=3 551 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [1,0,0,1,0,0|0,1,0]=3 552 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [1,0,0,1,0,0|1,0,0]=3 553 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [1,0,0,1,0,0|1,0,0]=3 554 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [1,0,0,1,0,0|1,0,0]=3 555 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [1,0,0,1,0,0|0,1,0]=3 556 B11R1.704 C1(CC1C(=O)O)C(N)C(=O)O MCULE-4575165023 [0,0,0,1,0,1|2,0,0]=4 557 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O MCULE-2251690284 [0,0,0,1,0,1|2,0,0]=4 558 B11R1.704 [C@@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-9452045165 [0,0,0,1,0,1|2,0,0]=4 559 B11R1.704 [C@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-8026317060 [0,0,0,1,0,1|2,0,0]=4 560 B11R1.175 O=C(O)C1CCC(C1)C(=O)O MCULE-5582697343 [0,0,0,1,0,1|2,0,0]=4 561 B11R1.175 O=C(O)C1CCC(O1)C(=O)O MCULE-3136124682 [0,0,0,1,0,1|2,0,0]=4 562 B11R1.175 O=C(O)C1CNC(C1)C(=O)O MCULE-8937278367 [0,0,0,1,0,1|2,0,0]=4 563 B11R1.175 O=C(O)C1CSC(N1)C(=O)O MCULE-7618690294 [0,0,0,1,0,1|1,0,0]=3 564 B11R1.175 O=C(O)[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3826760511 [0,0,0,1,0,1|2,0,0]=4 565 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O MCULE-5651042358 [0,0,0,1,0,1|2,0,0]=4 566 B11R1.175 O=C(O)[C@@H]1CC[C@H](C1)C(=O)O MCULE-4158551450 [0,0,0,1,0,1|2,0,0]=4 567 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1390451256 [0,0,0,1,0,1|2,0,0]=4 568 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7979026465 [0,0,0,1,0,1|2,0,0]=4 569 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-9063795349 [0,0,0,1,0,1|2,0,0]=4 570 B11R1.175 O=C(O)[C@@H]1CN[C@H](C1)C(=O)O MCULE-5420917584 [0,0,0,1,0,1|2,0,0]=4 571 B11R1.175 O=C(O)[C@@H]1C[C@H](CN1)C(=O)O MCULE-2467535885 [0,0,0,1,0,1|2,0,0]=4 572 B11R1.175 O=C(O)[C@H]1CC[C@@H](C1)C(=O)O MCULE-1705160233 [0,0,0,1,0,1|2,0,0]=4 573 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O MCULE-9410279128 [0,0,0,1,0,1|2,0,0]=4 574 B11R1.1389 NC1(CC(C1)C(=O)O)C(=O)O MCULE-1543172703 [0,0,0,1,0,1|2,0,0]=4 575 B11R1.1389 N[C@@]1(C[C@@H](C1)C(=O)O)C(=O)O MCULE-6569163998 [0,0,0,1,0,1|2,0,0]=4 576 B11R1.1389 N[C@@]1(C[C@H](C1)C(=O)O)C(=O)O MCULE-3442699763 [0,0,0,1,0,1|2,0,0]=4 577 B11R1.870 COC(=O)C1CCC1C(=O)O MCULE-1249439118 [0,1,0,1,0,0|2,0,0]=4 578 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)O MCULE-3410242661 [0,1,0,1,0,0|2,0,0]=4 579 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)O MCULE-6051976113 [0,1,0,1,0,0|2,0,0]=4 580 B11R1.870 COC(=O)[C@@H]1CC[C@H]1C(=O)O MCULE-1075146717 [0,1,0,1,0,0|2,0,0]=4 581 B11R1.870 COC(=O)[C@@H]1CC[C@H]1C(=O)O MCULE-3918400311 [0,1,0,1,0,0|2,0,0]=4 582 B11R1.870 COC(=O)[C@H]1CC[C@@H]1C(=O)O MCULE-1475117037 [0,1,0,1,0,0|2,0,0]=4 583 B11R1.870 COC(=O)[C@H]1CC[C@@H]1C(=O)O MCULE-5543248614 [0,1,0,1,0,0|2,0,0]=4 584 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O MCULE-1277383047 [0,1,0,1,0,0|2,0,0]=4 585 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O MCULE-1925715721 [0,1,0,1,0,0|2,0,0]=4 586 B11R1.870 [C@@H]1(CC[C@H]1C(=O)O)C(=O)OC MCULE-6773676736 [0,1,0,1,0,0|2,0,0]=4 587 B11R1.178 O=C(O)C1CCCC1C(=O)O MCULE-1370613174 [0,1,0,1,0,0|2,0,0]=4 588 B11R1.178 O=C(O)C1CCNC1C(=O)O MCULE-2316581520 [0,1,0,1,0,0|2,0,0]=4 589 B11R1.178 O=C(O)C1CCNC1C(=O)O MCULE-9331741117 [0,1,0,1,0,0|2,0,0]=4 590 B11R1.178 O=C(O)C1COCC1C(=O)O MCULE-4469020347 [0,1,0,1,0,0|1,1,0]=4 591 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-5772739452 [0,1,0,1,0,0|2,0,0]=4 592 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-6923663809 [0,1,0,1,0,0|2,0,0]=4 593 B11R1.178 O=C(O)[C@@H]1CNC[C@@H]1C(=O)O MCULE-7094844570 [0,1,0,1,0,0|2,0,0]=4 594 B11R1.178 O=C(O)[C@@H]1COC[C@@H]1C(=O)O MCULE-2959853524 [0,1,0,1,0,0|1,1,0]=4 595 B11R1.178 O=C(O)[C@@H]1COC[C@H]1C(=O)O MCULE-9190757159 [0,1,0,1,0,0|1,1,0]=4 596 B11R1.178 O=C(O)[C@H]1CCC[C@H]1C(=O)O MCULE-2898188373 [0,1,0,1,0,0|2,0,0]=4 597 B11R1.178 O=C(O)[C@H]1COC[C@@H]1C(=O)O MCULE-4154653911 [0,1,0,1,0,0|1,1,0]=4 598 B11R1.178 O=C(O)[C@H]1COC[C@@H]1C(=O)O MCULE-5321587208 [0,1,0,1,0,0|1,1,0]=4 599 B11R2.60 O=C1OCC2C1COC2=O MCULE-6930842195 [0,0,0,2,0,0|2,0,0]=4 600 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [1,0,0,0,0,1|1,0,1]=4 601 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [1,0,0,0,0,1|1,0,1]=4 602 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [1,0,0,0,0,1|2,0,0]=4 603 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [1,0,0,0,0,1|2,0,0]=4 604 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [1,0,0,0,0,1|2,0,0]=4 605 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [1,0,0,0,0,1|2,0,0]=4 606 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [1,0,0,0,0,1|2,0,0]=4 607 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [1,0,0,0,0,1|2,0,0]=4 608 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [1,0,0,0,0,1|2,0,0]=4 609 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [1,0,0,0,0,1|2,0,0]=4 610 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [1,0,0,0,0,1|2,0,0]=4 611 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [1,0,0,0,0,1|2,0,0]=4 612 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [1,0,0,0,0,1|2,0,0]=4 613 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [1,0,0,0,0,1|2,0,0]=4 614 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [1,0,0,0,0,1|2,0,0]=4 615 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [1,0,0,0,0,1|2,0,0]=4 616 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [1,0,0,0,0,1|2,0,0]=4 617 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [1,0,0,0,0,1|2,0,0]=4 618 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [1,0,0,0,0,1|2,0,0]=4 619 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [1,0,0,0,0,1|2,0,0]=4 620 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [1,0,0,0,0,1|2,0,0]=4 621 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [1,0,0,0,0,1|2,0,0]=4 622 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [1,0,0,0,0,1|1,0,0]=3 623 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [1,0,0,0,0,1|1,0,0]=3 624 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [1,0,0,0,0,1|2,0,0]=4 625 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [1,0,0,0,0,1|1,0,0]=3 626 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [1,0,0,0,0,1|1,0,0]=3 627 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [1,0,0,0,0,1|1,0,0]=3 628 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [1,0,0,0,0,1|1,0,0]=3 629 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [1,0,0,0,0,1|1,0,0]=3 630 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [1,0,0,0,0,1|1,0,0]=3 631 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [1,0,0,0,0,1|1,0,0]=3 632 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [1,0,0,0,0,1|1,0,0]=3 633 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [1,0,0,0,0,1|2,0,0]=4 634 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [1,0,0,0,0,1|2,0,0]=4 635 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [1,0,0,0,0,1|2,0,0]=4 636 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [1,0,0,0,0,1|2,0,0]=4 637 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [1,0,0,0,0,1|2,0,0]=4 638 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [1,0,0,0,0,1|2,0,0]=4 639 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [1,0,0,0,0,1|2,0,0]=4 640 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [1,0,0,0,0,1|2,0,0]=4 641 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [1,0,0,0,0,1|2,0,0]=4 642 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [1,0,0,0,0,1|2,0,0]=4 643 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [1,0,0,0,0,1|2,0,0]=4 644 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [1,0,0,0,0,1|2,0,0]=4 645 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [1,0,0,0,0,1|2,0,0]=4 646 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [1,0,0,0,0,1|2,0,0]=4 647 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [1,0,0,0,0,1|2,0,0]=4 648 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [1,0,0,0,0,1|2,0,0]=4 649 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [1,0,0,0,0,1|2,0,0]=4 650 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [1,0,0,0,0,1|2,0,0]=4 651 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [1,0,0,0,0,1|2,0,0]=4 652 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [1,0,0,0,0,1|1,0,0]=3 653 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [1,0,0,0,0,1|1,0,0]=3 654 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [1,0,0,0,0,1|1,0,0]=3 655 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [1,0,0,0,0,1|1,0,1]=4 656 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [1,0,0,0,0,1|1,0,0]=3 657 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [1,0,0,0,0,1|1,0,0]=3 658 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [1,0,0,0,0,1|1,0,0]=3 659 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [1,0,0,0,0,1|1,0,0]=3 660 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [1,0,0,0,0,1|1,0,0]=3 661 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [1,0,0,0,0,1|1,0,1]=4 662 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [1,0,0,0,0,1|1,0,1]=4 663 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [1,0,0,0,0,1|1,0,1]=4 664 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [1,0,0,0,0,1|1,0,0]=3 665 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [1,0,0,0,0,1|1,0,0]=3 666 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [1,0,0,0,0,1|0,1,1]=4 667 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [1,0,0,0,0,1|1,0,0]=3 668 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [1,0,0,0,0,1|0,1,0]=3 669 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [1,0,0,0,0,1|0,1,0]=3 670 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [1,0,0,0,0,1|0,1,0]=3 671 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [1,0,0,0,0,1|1,0,0]=3 672 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [1,0,0,0,0,1|1,0,0]=3 673 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [1,0,0,0,0,1|1,0,0]=3 674 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [1,0,0,0,0,1|0,1,0]=3 675 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [1,0,0,0,0,1|0,1,1]=4 676 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [1,0,0,0,0,1|2,0,0]=4 677 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [1,0,0,0,0,1|2,0,0]=4 678 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [1,0,0,0,0,1|1,0,0]=3 679 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [1,0,0,0,0,1|0,1,0]=3 680 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O MCULE-1345660635 [1,0,0,0,0,1|1,0,1]=4 681 B9R0.53 CC(=CC(=O)O)CC(=O)O MCULE-8165055939 [1,0,0,0,0,1|1,0,1]=4 682 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [1,0,0,0,0,1|2,0,0]=4 683 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [1,0,0,0,0,1|1,0,0]=3 684 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [1,0,0,0,0,1|2,0,0]=4 685 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [1,0,0,0,0,1|2,0,0]=4 686 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [1,0,0,0,0,1|2,0,0]=4 687 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [1,0,0,0,0,1|1,0,0]=3 688 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [1,0,0,0,0,1|1,0,0]=3 689 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [1,0,0,0,0,1|2,0,0]=4 690 B9R0.53 O=C(O)C=C(Cl)CC(=O)O MCULE-4643738898 [1,0,0,0,0,1|1,0,1]=4 691 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [1,0,0,0,0,1|0,1,1]=4 692 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [1,0,0,0,0,1|0,1,0]=3 693 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [1,0,0,0,0,1|1,1,0]=4 694 B11R0.149 NC(CC(=O)O)C(N)CC(=O)O MCULE-8617510469 [0,0,0,0,0,2|2,0,0]=4 695 B11R0.150 CC(CCC(C)C(=O)O)C(=O)O MCULE-5912549588 [0,0,0,0,0,2|2,0,0]=4 696 B11R0.150 CC(SSC(C)C(=O)O)C(=O)O MCULE-4166467242 [0,0,0,0,0,2|2,0,0]=4 697 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-3879325501 [0,0,0,0,0,2|2,0,0]=4 698 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-8835673266 [0,0,0,0,0,2|2,0,0]=4 699 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1244462847 [0,0,0,0,0,2|2,0,0]=4 700 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1836756247 [0,0,0,0,0,2|2,0,0]=4 701 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-5252239426 [0,0,0,0,0,2|2,0,0]=4 702 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-7091962514 [0,0,0,0,0,2|2,0,0]=4 703 B11R0.150 N[C@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-7748162622 [0,0,0,0,0,2|2,0,0]=4 704 B11R0.150 O=C(O)C(Br)CCC(Br)C(=O)O MCULE-1364640997 [0,0,0,0,0,2|2,0,0]=4 705 B11R0.150 O=C(O)C(O)SSC(O)C(=O)O MCULE-1628840134 [0,0,0,0,0,2|0,2,0]=4