0 B9R0.39 CC(=O)NC(C#N)C(=O)N MCULE-7779090279 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.39 CC(=O)NC(CO)C(=O)O MCULE-1309560741 [0,0,0,0,0,0|0,1,0]=1 2 B9R0.39 CC(=O)NC(CS)C(=O)N MCULE-2256527758 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-6378320219 [0,0,0,0,0,0|0,0,0]=0 4 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-8740981134 [0,0,0,0,0,0|0,0,0]=0 5 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-1874809708 [0,0,0,0,0,0|0,1,0]=1 6 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-6388016375 [0,0,0,0,0,0|0,1,0]=1 7 B9R0.39 CC(=O)N[C@@H](CS)C(=O)N MCULE-1208846063 [0,0,0,0,0,0|1,0,0]=1 8 B9R0.39 CC(=O)N[C@@H](CS)C(=O)N MCULE-2389070545 [0,0,0,0,0,0|1,0,0]=1 9 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-3293270590 [0,0,0,0,0,0|0,0,0]=0 10 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-8632971295 [0,0,0,0,0,0|0,0,0]=0 11 B9R0.39 CC(=O)N[C@H](CO)C(=O)O MCULE-3723348697 [0,0,0,0,0,0|0,1,0]=1 12 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-2338539483 [0,0,0,0,0,0|0,0,0]=0 13 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-7287452762 [0,0,0,0,0,0|0,0,0]=0 14 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-3679366313 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-4357118038 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-5464779902 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-1199418849 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-2007636867 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-3151357434 [0,0,0,0,0,0|3,0,1]=4 20 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-6826376648 [0,0,0,0,0,0|3,0,1]=4 21 B9R0.39 CC(C)C[C@@H](CO)C(=O)O MCULE-8614733501 [0,0,0,0,0,0|2,1,1]=4 22 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-1897946062 [0,0,0,0,0,0|3,0,1]=4 23 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5204739284 [0,0,0,0,0,0|3,0,1]=4 24 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5587093761 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-6247275234 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.39 CC(C)C[C@H](CO)C(=O)O MCULE-3078607450 [0,0,0,0,0,0|2,1,1]=4 27 B9R0.39 CCC(CC(=O)Cl)C(=O)Cl MCULE-4134104716 [0,0,0,0,0,0|4,0,0]=4 28 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [0,0,0,0,0,0|3,0,0]=3 29 B9R0.39 CCC(CC(C)C)C(=O)O MCULE-5215518236 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-1309294109 [0,0,0,0,0,0|1,0,0]=1 31 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-9698129539 [0,0,0,0,0,0|1,0,0]=1 32 B9R0.39 CCC(NC(=O)N)C(=O)O MCULE-1973871135 [0,0,0,0,0,0|2,0,0]=2 33 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7235932783 [0,0,0,0,0,0|2,0,1]=3 34 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7934342287 [0,0,0,0,0,0|2,0,1]=3 35 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-4606830483 [0,0,0,0,0,0|1,0,0]=1 36 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-7396715663 [0,0,0,0,0,0|1,0,0]=1 37 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [0,0,0,0,0,0|4,0,0]=4 38 B9R0.39 CN[C@@H](CC(=O)N)C(=O)O MCULE-2449462396 [0,0,0,0,0,0|4,0,0]=4 39 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [0,0,0,0,0,0|4,0,0]=4 40 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [0,0,0,0,0,0|4,0,0]=4 41 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [0,0,0,0,0,0|4,0,0]=4 42 B9R0.39 CN[C@H](CC(=O)N)C(=O)O MCULE-2092394249 [0,0,0,0,0,0|4,0,0]=4 43 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [0,0,0,0,0,0|4,0,0]=4 44 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [0,0,0,0,0,0|4,0,0]=4 45 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [0,0,0,0,0,0|4,0,0]=4 46 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [0,0,0,0,0,0|4,0,0]=4 47 B9R0.39 N=C(N)N[C@@H](CS)C(=O)O MCULE-8761842896 [0,0,0,0,0,0|2,0,0]=2 48 B9R0.39 NC(=O)NC(CO)C(=O)O MCULE-8322024012 [0,0,0,0,0,0|1,1,0]=2 49 B9R0.39 NC(=O)NC(CS)C(=O)O MCULE-3558033323 [0,0,0,0,0,0|1,0,0]=1 50 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O MCULE-9735857877 [0,0,0,0,0,0|1,0,0]=1 51 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [0,0,0,0,0,0|3,0,0]=3 52 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [0,0,0,0,0,0|3,0,0]=3 53 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [0,0,0,0,0,0|4,0,0]=4 54 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [0,0,0,0,0,0|2,0,0]=2 55 B8R0.15 C=CCC(CC)C(=O)O MCULE-8599414655 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.15 CCC(NC=O)C(=O)O MCULE-6163876154 [1,0,0,0,0,0|1,0,0]=2 57 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [1,0,0,0,0,0|2,0,1]=4 58 B8R0.15 CCCC(CO)C(=O)O MCULE-2653026260 [1,0,0,0,0,0|1,1,1]=4 59 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-1805025355 [1,0,0,0,0,0|1,1,1]=4 60 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-3449491143 [1,0,0,0,0,0|1,1,1]=4 61 B8R0.15 CCOC(CBr)C(=O)O MCULE-5345866284 [1,0,0,0,0,0|2,0,1]=4 62 B8R0.15 CCOC(CC)C(=O)O MCULE-1674742787 [1,0,0,0,0,0|2,0,1]=4 63 B8R0.15 O=CN[C@@H](CS)C(=O)O MCULE-9815114026 [1,0,0,0,0,0|0,0,0]=1 64 B8R0.16 C=CC(CC)OC(=O)C MCULE-4764266837 [1,0,0,0,0,0|3,0,0]=4 65 B8R0.16 CC(=O)NC(CO)CO MCULE-5276694510 [1,0,0,0,0,0|0,1,1]=3 66 B8R0.16 CCC(CO)NC(=O)C MCULE-9868176705 [1,0,0,0,0,0|1,0,1]=3 67 B8R0.16 CC[C@@H](CO)NC(=O)C MCULE-2664687963 [1,0,0,0,0,0|1,0,1]=3 68 B8R0.16 CC[C@@H](CO)NC(=O)C MCULE-6485833206 [1,0,0,0,0,0|1,0,1]=3 69 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [1,0,0,0,0,0|3,0,0]=4 70 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [1,0,0,0,0,0|2,0,1]=4 71 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [1,0,0,0,0,0|2,0,1]=4 72 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [1,0,0,0,0,0|2,0,0]=3 73 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [1,0,0,0,0,0|3,0,0]=4 74 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [1,0,0,0,0,0|3,0,0]=4 75 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [1,0,0,0,0,0|2,0,0]=3 76 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [1,0,0,0,0,0|3,0,0]=4 77 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [1,0,0,0,0,0|3,0,0]=4 78 B8R0.23 C=C(NC(=O)C)C(=O)O MCULE-6963284423 [1,0,0,0,0,0|0,0,2]=3 79 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [1,0,0,0,0,0|2,0,1]=4 80 B8R0.23 CC(=NC(=O)N)C(=O)O MCULE-5921330982 [1,0,0,0,0,0|1,0,2]=4 81 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [1,0,0,0,0,0|3,0,0]=4 82 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [1,0,0,0,0,0|1,0,0]=2 83 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [1,0,0,0,0,0|2,0,0]=3 84 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [1,0,0,0,0,0|2,0,0]=3 85 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [1,0,0,0,0,0|2,1,0]=4 86 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [1,0,0,0,0,0|1,1,0]=3 87 B8R0.23 CC(=O)NC(=O)C(=O)N MCULE-2486343722 [1,0,0,0,0,0|1,1,1]=4 88 B8R0.23 CC(=O)NC(C)C(=O)C MCULE-4672583112 [1,0,0,0,0,0|1,0,0]=2 89 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [1,0,0,0,0,0|0,0,0]=1 90 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [1,0,0,0,0,0|0,0,0]=1 91 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-1899336261 [1,0,0,0,0,0|1,0,0]=2 92 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-2242849037 [1,0,0,0,0,0|1,0,0]=2 93 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9322824133 [1,0,0,0,0,0|1,0,0]=2 94 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9348799148 [1,0,0,0,0,0|1,0,0]=2 95 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [1,0,0,0,0,0|0,0,0]=1 96 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [1,0,0,0,0,0|0,0,0]=1 97 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [1,0,0,0,0,0|0,0,0]=1 98 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [1,0,0,0,0,0|0,0,0]=1 99 B8R0.23 CC(=O)OC(C)C(=O)C MCULE-7403314261 [1,0,0,0,0,0|2,0,0]=3 100 B8R0.23 CC(=O)OC(C)C(=O)Cl MCULE-9987734584 [1,0,0,0,0,0|2,0,0]=3 101 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [1,0,0,0,0,0|1,0,0]=2 102 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [1,0,0,0,0,0|1,0,0]=2 103 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-6842776649 [1,0,0,0,0,0|2,0,0]=3 104 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-9564324053 [1,0,0,0,0,0|2,0,0]=3 105 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [1,0,0,0,0,0|1,0,0]=2 106 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [1,0,0,0,0,0|1,0,0]=2 107 B8R0.23 CC(=O)O[C@@H](C)C(=S)N MCULE-3286144331 [1,0,0,0,0,0|2,1,0]=4 108 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-4690787544 [1,0,0,0,0,0|2,0,0]=3 109 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-6415823129 [1,0,0,0,0,0|2,0,0]=3 110 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [1,0,0,0,0,0|1,0,0]=2 111 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [1,0,0,0,0,0|1,0,0]=2 112 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [1,0,0,0,0,0|2,0,1]=4 113 B8R0.23 CC(C)NC(C)C(=O)O MCULE-1412835872 [1,0,0,0,0,0|1,0,1]=3 114 B8R0.23 CC(C)NC(C)C(=O)O MCULE-5184634957 [1,0,0,0,0,0|1,0,1]=3 115 B8R0.23 CC(C)OC(C)C(=O)O MCULE-6571129429 [1,0,0,0,0,0|2,0,1]=4 116 B8R0.23 CC(C)SC(C)C(=O)O MCULE-1620493707 [1,0,0,0,0,0|2,0,1]=4 117 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [1,0,0,0,0,0|3,0,0]=4 118 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [1,0,0,0,0,0|2,0,0]=3 119 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [1,0,0,0,0,0|2,0,0]=3 120 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [1,0,0,0,0,0|2,0,0]=3 121 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7139783268 [1,0,0,0,0,0|3,0,0]=4 122 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7716649676 [1,0,0,0,0,0|3,0,0]=4 123 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [1,0,0,0,0,0|2,0,0]=3 124 B8R0.23 CC(NC(=N)N)C(=O)O MCULE-1509115617 [1,0,0,0,0,0|2,0,0]=3 125 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [1,0,0,0,0,0|1,0,0]=2 126 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [1,0,0,0,0,0|3,0,0]=4 127 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [1,0,0,0,0,0|3,0,0]=4 128 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [1,0,0,0,0,0|3,0,0]=4 129 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [1,0,0,0,0,0|2,0,0]=3 130 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [1,0,0,0,0,0|2,0,0]=3 131 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [1,0,0,0,0,0|2,0,0]=3 132 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [1,0,0,0,0,0|2,0,0]=3 133 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [1,0,0,0,0,0|1,0,0]=2 134 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [1,0,0,0,0,0|3,0,0]=4 135 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [1,0,0,0,0,0|3,0,0]=4 136 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [1,0,0,0,0,0|3,0,0]=4 137 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [1,0,0,0,0,0|3,0,0]=4 138 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [1,0,0,0,0,0|3,0,0]=4 139 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [1,0,0,0,0,0|3,0,0]=4 140 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [1,0,0,0,0,0|3,0,0]=4 141 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [1,0,0,0,0,0|3,0,0]=4 142 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [1,0,0,0,0,0|3,0,0]=4 143 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [1,0,0,0,0,0|3,0,0]=4 144 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [1,0,0,0,0,0|3,0,0]=4 145 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [1,0,0,0,0,0|3,0,0]=4 146 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [1,0,0,0,0,0|3,0,0]=4 147 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [1,0,0,0,0,0|3,0,0]=4 148 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [1,0,0,0,0,0|3,0,0]=4 149 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [1,0,0,0,0,0|3,0,0]=4 150 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [1,0,0,0,0,0|3,0,0]=4 151 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [1,0,0,0,0,0|2,1,0]=4 152 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [1,0,0,0,0,0|2,1,0]=4 153 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [1,0,0,0,0,0|2,1,0]=4 154 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [1,0,0,0,0,0|2,0,0]=3 155 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [1,0,0,0,0,0|3,0,0]=4 156 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [1,0,0,0,0,0|3,0,0]=4 157 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [1,0,0,0,0,0|2,1,0]=4 158 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [1,0,0,0,0,0|2,1,0]=4 159 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [1,0,0,0,0,0|3,0,0]=4 160 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [1,0,0,0,0,0|3,0,0]=4 161 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [1,0,0,0,0,0|3,0,0]=4 162 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [1,0,0,0,0,0|2,1,0]=4 163 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [1,0,0,0,0,0|2,1,0]=4 164 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [1,0,0,0,0,0|2,0,0]=3 165 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [1,0,0,0,0,0|3,0,0]=4 166 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [1,0,0,0,0,0|3,0,0]=4 167 B10R0.23 C#CCC(NC(=O)C)C(=O)O MCULE-9409389398 [0,1,0,0,0,0|1,0,0]=2 168 B10R0.23 C=CCC(NC(=O)C)C(=O)O MCULE-7609607910 [0,1,0,0,0,0|1,0,0]=2 169 B10R0.23 CC(=O)NC(CCO)C(=O)O MCULE-2399187108 [0,1,0,0,0,0|0,1,0]=2 170 B10R0.23 CC(=O)N[C@@H](CCS)C(=O)O MCULE-9792008044 [0,1,0,0,0,0|0,0,0]=1 171 B10R0.23 CCCC(CC(=O)C)C(=O)O MCULE-7988753662 [0,1,0,0,0,0|2,0,0]=3 172 B10R0.23 CCCC(CC(=O)O)C(=O)O MCULE-5222720019 [0,1,0,0,0,0|3,0,0]=4 173 B10R0.23 CCCC(NC(=O)C)C(=O)O MCULE-3719218412 [0,1,0,0,0,0|1,0,0]=2 174 B10R0.23 CCCC(NC(=O)N)C(=O)O MCULE-3451078854 [0,1,0,0,0,0|2,0,0]=3 175 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)O MCULE-7396030806 [0,1,0,0,0,0|1,0,0]=2 176 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)O MCULE-7424603595 [0,1,0,0,0,0|1,0,0]=2 177 B10R0.23 CCC[C@@H](NC(=O)N)C(=O)O MCULE-4836272670 [0,1,0,0,0,0|2,0,0]=3 178 B10R0.23 CCC[C@H](NC(=O)C)C(=O)O MCULE-2905526129 [0,1,0,0,0,0|1,0,0]=2 179 B10R0.23 CCC[C@H](NC(=O)C)C(=O)O MCULE-6395010914 [0,1,0,0,0,0|1,0,0]=2 180 B10R0.23 CNCC(NC(=O)C)C(=O)O MCULE-4047191308 [0,1,0,0,0,0|1,0,0]=2 181 B10R0.23 CNC[C@H](NC(=O)C)C(=O)O MCULE-3833734431 [0,1,0,0,0,0|1,0,0]=2 182 B10R0.23 COCC(CC(=O)O)C(=O)O MCULE-7211279043 [0,1,0,0,0,0|2,1,0]=4 183 B10R0.23 COCC(NC(=O)C)C(=O)O MCULE-9763122983 [0,1,0,0,0,0|0,1,0]=2 184 B10R0.23 COC[C@@H](NC(=O)C)C(=O)O MCULE-2239598357 [0,1,0,0,0,0|0,1,0]=2 185 B10R0.23 COC[C@@H](NC(=O)C)C(=O)O MCULE-4278788977 [0,1,0,0,0,0|0,1,0]=2 186 B10R0.23 COC[C@H](NC(=O)C)C(=O)O MCULE-5146213386 [0,1,0,0,0,0|0,1,0]=2 187 B10R0.23 CSCC(NC(=O)C)C(=O)O MCULE-8059509909 [0,1,0,0,0,0|0,0,0]=1 188 B10R0.23 CSC[C@H](NC(=O)C)C(=O)O MCULE-1058369746 [0,1,0,0,0,0|0,0,0]=1 189 B10R0.53 CCC(NC(=O)CCl)C(=O)O MCULE-5604735564 [0,1,0,0,0,0|1,0,0]=2 190 B10R0.53 CCC(NC(=O)CN)C(=O)O MCULE-2960630687 [0,1,0,0,0,0|1,0,0]=2 191 B10R0.53 NCC(=O)NC(CO)C(=O)O MCULE-9704484705 [0,1,0,0,0,0|0,1,0]=2 192 B10R0.53 NCC(=O)N[C@@H](CO)C(=O)O MCULE-4986689442 [0,1,0,0,0,0|0,1,0]=2 193 B10R0.53 NCC(=O)N[C@@H](CS)C(=O)O MCULE-6900882033 [0,1,0,0,0,0|0,0,0]=1 194 B10R0.53 O=C(CCl)NC(CO)C(=O)O MCULE-3786186517 [0,1,0,0,0,0|0,1,0]=2 195 B10R0.53 O=C(CCl)N[C@@H](CO)C(=O)O MCULE-8807935269 [0,1,0,0,0,0|0,1,0]=2 196 B10R0.53 [C@@H](CO)(NC(=O)CN)C(=O)O MCULE-7844760749 [0,1,0,0,0,0|0,1,0]=2 197 B10R0.54 CCC(NC(C)C)C(=O)OC MCULE-5445228076 [0,1,0,0,0,0|2,0,1]=4 198 B10R0.54 CCC(NC(C)C)C(=O)OC MCULE-5463480941 [0,1,0,0,0,0|2,0,1]=4 199 B10R0.54 CC[C@@H](NC(C)C)C(=O)OC MCULE-4001118323 [0,1,0,0,0,0|2,0,1]=4 200 B10R0.54 CC[C@@H](NC(C)C)C(=O)OC MCULE-7185561841 [0,1,0,0,0,0|2,0,1]=4 201 B10R0.54 CNC(=O)[C@H](CO)NC(=O)C MCULE-1380293620 [0,1,0,0,0,0|1,1,0]=3 202 B10R0.54 COC(=O)C(CCl)NC(=O)C MCULE-6763143430 [0,1,0,0,0,0|1,0,0]=2 203 B10R0.54 COC(=O)C(CS)NC(=O)C MCULE-6919568758 [0,1,0,0,0,0|0,0,0]=1 204 B10R0.54 COC(=O)C(CS)NC(=O)C MCULE-8314913233 [0,1,0,0,0,0|0,0,0]=1 205 B10R0.54 COC(=O)[C@H](CCl)NC(=O)C MCULE-4961593345 [0,1,0,0,0,0|1,0,0]=2 206 B10R0.54 COC(=O)[C@H](CCl)NC(=O)C MCULE-8773572586 [0,1,0,0,0,0|1,0,0]=2 207 B10R0.54 COC(=O)[C@H](CO)NC(=O)C MCULE-6635335555 [0,1,0,0,0,0|0,1,0]=2 208 B10R0.54 COC(=O)[C@H](CO)NC(=O)C MCULE-7904400544 [0,1,0,0,0,0|0,1,0]=2 209 B10R0.54 COC(=O)[C@H](CS)NC(=O)C MCULE-2613576372 [0,1,0,0,0,0|0,0,0]=1 210 B10R0.54 COC(=O)[C@H](CS)NC(=O)C MCULE-4654547070 [0,1,0,0,0,0|0,0,0]=1 211 B10R0.119 CC(CN)(CC(=O)O)C(=O)O MCULE-2103588985 [0,1,0,0,0,0|3,0,0]=4 212 B10R0.119 CC(CN)(CC(=O)O)C(=O)O MCULE-8467010129 [0,1,0,0,0,0|3,0,0]=4 213 B10R0.119 CCC(C)(CC(=O)O)C(=O)O MCULE-5857208842 [0,1,0,0,0,0|3,0,0]=4 214 B10R0.162 CC(=O)NC(=C(C)C)C(=O)O MCULE-8792339165 [0,1,0,0,0,0|1,0,2]=4 215 B10R0.162 CC(=O)NC(=C(Cl)Cl)C(=O)O MCULE-1203716243 [0,1,0,0,0,0|1,0,2]=4 216 B10R0.162 CC(=O)NC(C(=O)N)C(C)C MCULE-4954417296 [0,1,0,0,0,0|2,0,0]=3 217 B10R0.162 CC(=O)NC(C(=O)O)C(C)C MCULE-5114275353 [0,1,0,0,0,0|1,0,0]=2 218 B10R0.162 CC(=O)NC(C(=O)O)C(C)C MCULE-7625507425 [0,1,0,0,0,0|1,0,0]=2 219 B10R0.162 CC(=O)NC(C(=O)[O-])C(=O)[O-] MCULE-1749457266 [0,1,0,0,0,0|0,1,2]=4 220 B10R0.162 CC(=O)NC(C(=O)[O-])C(=O)[O-] MCULE-9518580362 [0,1,0,0,0,0|0,1,2]=4 221 B10R0.162 CC(=O)N[C@@H](C(=O)O)C(C)C MCULE-7724348414 [0,1,0,0,0,0|1,0,0]=2 222 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C MCULE-5832011663 [0,1,0,0,0,0|2,0,0]=3 223 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C MCULE-6203599101 [0,1,0,0,0,0|2,0,0]=3 224 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C MCULE-4757813230 [0,1,0,0,0,0|1,0,0]=2 225 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C MCULE-6959371366 [0,1,0,0,0,0|1,0,0]=2 226 B10R0.162 CC(=O)N[C@H](C(=O)O)[C@@H](C)O MCULE-1503882427 [0,1,0,0,0,0|0,1,0]=2 227 B10R0.162 CC(=O)N[C@H](C(=O)O)[C@@H](C)O MCULE-5611708903 [0,1,0,0,0,0|0,1,0]=2 228 B10R0.162 CC(=O)OC(C(=O)O)C(C)C MCULE-6800981090 [0,1,0,0,0,0|2,0,0]=3 229 B10R0.162 CC(=O)O[C@@H](C(=O)O)C(C)C MCULE-2609525866 [0,1,0,0,0,0|2,0,0]=3 230 B10R0.162 CC(C)C(CC(=O)O)C(=O)O MCULE-8647740549 [0,1,0,0,0,0|3,0,0]=4 231 B10R0.162 CC(C)C(NC(=O)N)C(=O)O MCULE-8905457274 [0,1,0,0,0,0|2,0,0]=3 232 B10R0.162 CC(C)NC(C(=O)O)C(C)C MCULE-3597742159 [0,1,0,0,0,0|2,0,1]=4 233 B10R0.162 CC(C)NC(C(=O)O)C(C)C MCULE-7004359902 [0,1,0,0,0,0|2,0,1]=4 234 B10R0.162 CC(C)[C@@H](NC(=O)N)C(=O)O MCULE-8034373559 [0,1,0,0,0,0|2,0,0]=3 235 B10R0.162 CC(O)C(NC(=O)N)C(=O)O MCULE-3166365598 [0,1,0,0,0,0|1,1,0]=3 236 B10R0.162 [C@@H](NC(=O)N)(C(=O)O)C(C)C MCULE-1578246756 [0,1,0,0,0,0|2,0,0]=3 237 B10R0.162 [C@H](NC(=O)C)(C(=O)O)C(C)C MCULE-3375530717 [0,1,0,0,0,0|1,0,0]=2 238 B10R1.30 CC[C@@H]1NC(=O)CNC1=O MCULE-4523744319 [0,0,0,1,0,0|2,0,0]=3 239 B10R1.30 O=C1CNC(=O)C(N1)CO MCULE-6601689011 [0,0,0,1,0,0|1,1,0]=3 240 B10R1.30 O=C1CNC(=O)[C@@H](N1)CO MCULE-1937112846 [0,0,0,1,0,0|1,1,0]=3 241 B10R1.30 O=C1CNC(=O)[C@@H](N1)CO MCULE-7896009458 [0,0,0,1,0,0|1,1,0]=3 242 B10R1.59 C=C1C[C@@H]([C@@H](C1)C(=O)O)N MCULE-9822470688 [0,0,0,1,0,0|3,0,0]=4 243 B10R1.59 CC1CC(=O)NC1C(=O)O MCULE-1142843058 [0,0,0,1,0,0|1,0,0]=2 244 B10R1.59 CC1NC(=O)CC1C(=O)O MCULE-1109266882 [0,0,0,1,0,0|3,0,0]=4 245 B10R1.59 CC1OC(=O)NC1C(=O)O MCULE-7595794618 [0,0,0,1,0,0|2,0,0]=3 246 B10R1.59 C[C@@H]1CC(=O)N[C@@H]1C(=O)O MCULE-5687745727 [0,0,0,1,0,0|1,0,0]=2 247 B10R1.59 C[C@@H]1CC(=O)N[C@H]1C(=O)O MCULE-3978079245 [0,0,0,1,0,0|1,0,0]=2 248 B10R1.59 C[C@H]1CC(=O)N[C@@H]1C(=O)O MCULE-1352855018 [0,0,0,1,0,0|1,0,0]=2 249 B10R1.59 C[C@H]1CC(=O)N[C@H]1C(=O)O MCULE-6205979547 [0,0,0,1,0,0|1,0,0]=2 250 B10R1.64 CC(=O)NC1CCOC1=O MCULE-5727753236 [0,0,0,1,0,0|1,0,0]=2 251 B10R1.64 CC(=O)NC1CCSC1=O MCULE-3189072897 [0,0,0,1,0,0|1,1,0]=3 252 B10R1.64 CC(=O)NN1CCCC1=O MCULE-1490773377 [0,0,0,1,0,0|3,0,0]=4 253 B10R1.64 CC(=O)N[C@@H]1COC[C@@H]1O MCULE-1869672029 [0,0,0,1,0,0|1,1,1]=4 254 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O MCULE-6420976383 [0,0,0,1,0,0|2,0,1]=4 255 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O MCULE-9888711851 [0,0,0,1,0,0|2,0,1]=4 256 B10R1.64 CC(=O)N[C@H]1CCOC1=O MCULE-5447353787 [0,0,0,1,0,0|1,0,0]=2 257 B10R1.64 CC(=O)N[C@H]1CCSC1=O MCULE-3439062111 [0,0,0,1,0,0|1,1,0]=3 258 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O MCULE-6592510964 [0,0,0,1,0,0|1,1,1]=4 259 B10R1.64 CC(=O)OC1CCNC1=O MCULE-8273704915 [0,0,0,1,0,0|3,0,0]=4 260 B10R1.64 NC(=O)NC1CCCC1=O MCULE-8760589602 [0,0,0,1,0,0|3,0,0]=4 261 B10R1.64 NC(=O)NC1CSCC1O MCULE-1469346128 [0,0,0,1,0,0|2,0,1]=4 262 B10R1.64 NC(=O)N[C@@H]1CSC[C@@H]1O MCULE-3136982094 [0,0,0,1,0,0|2,0,1]=4 263 B10R1.64 NC(=O)N[C@@H]1CSC[C@@H]1O MCULE-4789054601 [0,0,0,1,0,0|2,0,1]=4 264 B10R1.113 CC1=CCCC(C1)C(=O)O MCULE-1528958679 [0,0,0,1,0,0|3,0,0]=4 265 B10R1.113 CC1=NCCC(N1)C(=O)O MCULE-8417553503 [0,0,0,1,0,0|2,0,0]=3 266 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O MCULE-2656568536 [0,0,0,1,0,0|2,0,1]=4 267 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O MCULE-4918579312 [0,0,0,1,0,0|2,0,1]=4 268 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-2752928027 [0,0,0,1,0,0|2,0,1]=4 269 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7361502591 [0,0,0,1,0,0|2,0,1]=4 270 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7906995060 [0,0,0,1,0,0|2,0,1]=4 271 B10R1.113 CC1COCC(N1)C(=O)O MCULE-6739051094 [0,0,0,1,0,0|1,1,1]=4 272 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6827473516 [0,0,0,1,0,0|2,0,1]=4 273 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6916060172 [0,0,0,1,0,0|2,0,1]=4 274 B10R1.113 NC(=O)C1CCCC(=O)C1 MCULE-3502536681 [0,0,0,1,0,0|3,0,0]=4 275 B10R1.113 O=C1C=C(CCC1)C(=O)O MCULE-6477437107 [0,0,0,1,0,0|2,0,1]=4 276 B10R1.113 O=C1C=CCC(C1)C(=O)O MCULE-3511234259 [0,0,0,1,0,0|2,0,1]=4 277 B10R1.113 O=C1CC(CCN1)C(=O)O MCULE-8037650535 [0,0,0,1,0,0|3,0,0]=4 278 B10R1.113 O=C1CC(CNN1)C(=O)O MCULE-4653652849 [0,0,0,1,0,0|3,0,0]=4 279 B10R1.113 O=C1CC(CNN1)C(=O)O MCULE-5555795045 [0,0,0,1,0,0|3,0,0]=4 280 B10R1.113 O=C1CCCC(C1)C(=O)O MCULE-6286773194 [0,0,0,1,0,0|2,0,0]=3 281 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9444010827 [0,0,0,1,0,0|1,0,0]=2 282 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9607599809 [0,0,0,1,0,0|1,0,0]=2 283 B10R1.113 O=C1CCC[C@@H](C1)C(=O)O MCULE-5396925186 [0,0,0,1,0,0|2,0,0]=3 284 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-3091454903 [0,0,0,1,0,0|1,0,0]=2 285 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-5853502175 [0,0,0,1,0,0|1,0,0]=2 286 B10R1.113 O=C1CCC[C@H](C1)C(=O)O MCULE-8936667281 [0,0,0,1,0,0|2,0,0]=3 287 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-6509598163 [0,0,0,1,0,0|1,0,0]=2 288 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-7646943695 [0,0,0,1,0,0|1,0,0]=2 289 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-6916176336 [0,0,0,1,0,0|3,0,0]=4 290 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-9262761817 [0,0,0,1,0,0|3,0,0]=4 291 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-1115212106 [0,0,0,1,0,0|3,0,0]=4 292 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5896394571 [0,0,0,1,0,0|3,0,0]=4 293 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5937606037 [0,0,0,1,0,0|3,0,0]=4 294 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-7073629862 [0,0,0,1,0,0|3,0,0]=4 295 B10R1.113 O=C1CNCC(N1)C(=O)O MCULE-4117148380 [0,0,0,1,0,0|1,0,0]=2 296 B10R1.113 O=C1CNC[C@@H](N1)C(=O)O MCULE-3006600193 [0,0,0,1,0,0|1,0,0]=2 297 B10R1.113 O=C1CNC[C@H](N1)C(=O)O MCULE-4345470043 [0,0,0,1,0,0|1,0,0]=2 298 B10R1.113 O=C1CSCC(N1)C(=O)O MCULE-7630386798 [0,0,0,1,0,0|0,0,0]=1 299 B10R1.113 O=C1CSC[C@H](N1)C(=O)O MCULE-1412113570 [0,0,0,1,0,0|0,0,0]=1 300 B10R1.113 O=C1C[C@@H](CCN1)C(=O)O MCULE-5205458306 [0,0,0,1,0,0|3,0,0]=4 301 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-6254957663 [0,0,0,1,0,0|3,0,0]=4 302 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-9670666580 [0,0,0,1,0,0|3,0,0]=4 303 B10R1.113 O=C1NC(CCO1)C(=O)O MCULE-4281750243 [0,0,0,1,0,0|2,0,0]=3 304 B10R1.113 O=C1NCCC(N1)C(=O)O MCULE-6196729766 [0,0,0,1,0,0|2,0,0]=3 305 B10R1.113 O=C1NCCC(O1)C(=O)O MCULE-1272116406 [0,0,0,1,0,0|3,0,0]=4 306 B10R1.113 O=C1N[C@@H](CCO1)C(=O)O MCULE-7121690603 [0,0,0,1,0,0|2,0,0]=3 307 B10R1.113 [C@@H]1(CCCC(N1)C)C(=O)O MCULE-7930307305 [0,0,0,1,0,0|2,0,1]=4 308 B10R1.234 N#CC1(CC(=O)C1)C(=O)O MCULE-7934005669 [0,0,0,1,0,0|2,0,1]=4 309 B10R1.282 CC1C(C1C(=O)O)C(=O)O MCULE-6282240195 [0,0,0,1,0,0|3,0,0]=4 310 B10R1.351 CC(=O)N[C@@H]1CC[C@@]1(C)O MCULE-1388919660 [0,0,0,1,0,0|2,0,1]=4 311 B10R1.359 CC1(CCC(N1)C(=O)O)C MCULE-5310172848 [0,0,0,1,0,0|2,0,1]=4 312 B10R1.359 CC1(CCC(N1)C(=O)O)C MCULE-5921965282 [0,0,0,1,0,0|2,0,1]=4 313 B10R1.359 CC1(NC(CS1)C(=O)O)C MCULE-3628976485 [0,0,0,1,0,0|1,0,1]=3 314 B10R1.359 CC1(NC(CS1)C(=O)O)C MCULE-9763318604 [0,0,0,1,0,0|1,0,1]=3 315 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-5428000366 [0,0,0,1,0,0|1,0,1]=3 316 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-6914291473 [0,0,0,1,0,0|1,0,1]=3 317 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-8499487712 [0,0,0,1,0,0|1,0,1]=3 318 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-9591174443 [0,0,0,1,0,0|1,0,1]=3 319 B10R1.359 CC1(N[C@H](CS1)C(=O)O)C MCULE-1864127233 [0,0,0,1,0,0|1,0,1]=3 320 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 MCULE-5768819085 [0,0,0,1,0,0|3,0,0]=4 321 B10R1.361 C1(CCN1C(C)C)C(=O)O MCULE-2301490448 [0,0,0,1,0,0|2,0,1]=4 322 B10R1.361 CC(=O)N1CCC1C(=O)O MCULE-4216069349 [0,0,0,1,0,0|1,0,0]=2 323 B10R1.361 CC(=O)N1CC[C@H]1C(=O)O MCULE-3086147567 [0,0,0,1,0,0|1,0,0]=2 324 B10R1.361 CC(C)N1CCC1C(=O)O MCULE-3327703206 [0,0,0,1,0,0|2,0,1]=4 325 B10R1.361 CC(C)N1CC[C@H]1C(=O)O MCULE-1726046033 [0,0,0,1,0,0|2,0,1]=4 326 B10R1.361 CC(C)N1CC[C@H]1C(=O)O MCULE-3879944736 [0,0,0,1,0,0|2,0,1]=4 327 B10R1.361 NC(=O)C1CCC1C(=O)O MCULE-3903818494 [0,0,0,1,0,0|3,0,0]=4 328 B10R1.361 O=C(O)C1CCC1C(=O)O MCULE-6136792366 [0,0,0,1,0,0|3,0,0]=4 329 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-2743190923 [0,0,0,1,0,0|3,0,0]=4 330 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-6841335407 [0,0,0,1,0,0|3,0,0]=4 331 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-3432000151 [0,0,0,1,0,0|3,0,0]=4 332 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-6937334278 [0,0,0,1,0,0|3,0,0]=4 333 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O MCULE-8609403409 [0,0,0,1,0,0|3,0,0]=4 334 B10R1.361 [C@@H]1(CC[C@@H]1C(=O)O)C(=O)O MCULE-4637916300 [0,0,0,1,0,0|3,0,0]=4 335 B10R1.442 CC(=O)NC1(CC1)C(=O)O MCULE-6784900310 [0,0,0,1,0,0|1,0,0]=2 336 B10R1.442 CC(=O)OC1(CC1)C(=O)O MCULE-7634246100 [0,0,0,1,0,0|2,0,0]=3 337 B10R1.442 NC(=O)NC1(CC1)C(=O)O MCULE-5553928485 [0,0,0,1,0,0|2,0,0]=3 338 B10R1.442 O=C(O)CC1(CC1)C(=O)O MCULE-5389842845 [0,0,0,1,0,0|3,0,0]=4 339 B10R1.469 CCC(NC1CC1)C(=O)O MCULE-7285104702 [0,0,0,1,0,0|2,0,1]=4 340 B10R1.469 NCC(NC1CC1)C(=O)O MCULE-4716840583 [0,0,0,1,0,0|2,0,1]=4 341 B8R0.18 CC(=O)C(C=O)C(=O)C MCULE-8700117770 [0,0,0,0,1,0|1,1,1]=4 342 B8R0.18 CC(C)C(CN)C(=O)O MCULE-4117902081 [0,0,0,0,1,0|2,0,1]=4 343 B8R0.18 CC(C)C(CN)C(=O)O MCULE-7615812755 [0,0,0,0,1,0|2,0,1]=4 344 B8R0.18 CC(C)C(CN)C(=O)O MCULE-7742033605 [0,0,0,0,1,0|2,0,1]=4 345 B8R0.18 CC(C)C(CO)C(=O)O MCULE-3554430088 [0,0,0,0,1,0|1,1,1]=4 346 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-1192054373 [0,0,0,0,1,0|2,0,1]=4 347 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-3040043200 [0,0,0,0,1,0|2,0,1]=4 348 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-4353846755 [0,0,0,0,1,0|2,0,1]=4 349 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-6762829521 [0,0,0,0,1,0|2,0,1]=4 350 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4384560751 [0,0,0,0,1,0|2,0,1]=4 351 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4859224613 [0,0,0,0,1,0|2,0,1]=4 352 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4974717674 [0,0,0,0,1,0|2,0,1]=4 353 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-7170111497 [0,0,0,0,1,0|2,0,1]=4 354 B8R0.18 CCC(C(=O)C)C(=O)C MCULE-2654310210 [0,0,0,0,1,0|2,0,0]=3 355 B8R0.18 CCC(C(=O)C)C(=O)[O-] MCULE-6595833151 [0,0,0,0,1,0|1,0,1]=3 356 B8R0.18 CCC(C(=O)C)C(=O)[O-] MCULE-8541174028 [0,0,0,0,1,0|1,0,1]=3 357 B8R0.18 CCC(C(=O)Cl)C(=O)Cl MCULE-8542721391 [0,0,0,0,1,0|3,0,0]=4 358 B8R0.18 CCC(C(=O)O)C(=O)O MCULE-3288957588 [0,0,0,0,1,0|2,0,0]=3 359 B8R0.18 CCC(C(=O)O)C(C)C MCULE-5914693527 [0,0,0,0,1,0|2,0,1]=4 360 B8R0.18 CCC(C(=O)O)C(C)N MCULE-2976322800 [0,0,0,0,1,0|2,0,1]=4 361 B8R0.18 CCC(C(=O)O)C(C)O MCULE-1064081188 [0,0,0,0,1,0|1,0,2]=4 362 B8R0.18 CCC(C(=O)O)N(C)C MCULE-4235177725 [0,0,0,0,1,0|3,0,0]=4 363 B8R0.18 CCC(C(=O)[O-])C(=O)[O-] MCULE-5481544745 [0,0,0,0,1,0|2,0,1]=4 364 B8R0.18 CC[C@@H](C(=O)O)N(C)C MCULE-3756764540 [0,0,0,0,1,0|3,0,0]=4 365 B8R0.18 CC[C@H](C(=O)O)N(C)C MCULE-4719850768 [0,0,0,0,1,0|3,0,0]=4 366 B8R0.18 CN(C)C(CN)C(=O)O MCULE-6449978430 [0,0,0,0,1,0|3,0,0]=4 367 B8R0.18 COC(C(=O)C)C(=O)C MCULE-2169553892 [0,0,0,0,1,0|3,0,0]=4 368 B10R0.70 CC(=O)O[C@H](CBr)CC(=O)O MCULE-9706634607 [0,0,0,0,0,1|2,0,0]=3 369 B10R0.84 CCC(CCC(=O)C)C(=O)O MCULE-2983781440 [0,0,0,0,0,1|2,0,0]=3 370 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [2,0,0,0,0,0|1,0,1]=4 371 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [2,0,0,0,0,0|0,0,0]=2 372 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [2,0,0,0,0,0|1,0,0]=3 373 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [2,0,0,0,0,0|1,1,0]=4 374 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [2,0,0,0,0,0|1,0,1]=4 375 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [2,0,0,0,0,0|1,0,1]=4 376 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [2,0,0,0,0,0|1,0,1]=4 377 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [2,0,0,0,0,0|0,0,1]=3 378 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [2,0,0,0,0,0|0,0,1]=3 379 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [2,0,0,0,0,0|0,0,1]=3 380 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [2,0,0,0,0,0|1,0,1]=4 381 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [2,0,0,0,0,0|1,0,1]=4 382 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [2,0,0,0,0,0|2,0,0]=4 383 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [2,0,0,0,0,0|2,0,0]=4 384 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [2,0,0,0,0,0|2,0,0]=4 385 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [2,0,0,0,0,0|2,0,0]=4 386 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [2,0,0,0,0,0|0,0,0]=2 387 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [2,0,0,0,0,0|0,0,0]=2 388 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [2,0,0,0,0,0|1,0,1]=4 389 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [2,0,0,0,0,0|1,0,1]=4 390 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [2,0,0,0,0,0|1,0,1]=4 391 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [2,0,0,0,0,0|1,0,1]=4 392 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [2,0,0,0,0,0|0,1,1]=4 393 B7R0.15 CCC(NC)C(=O)N MCULE-1925914686 [2,0,0,0,0,0|2,0,0]=4 394 B7R0.15 CCC(NC)C(=O)N MCULE-3283265693 [2,0,0,0,0,0|2,0,0]=4 395 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [2,0,0,0,0,0|1,0,0]=3 396 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [2,0,0,0,0,0|1,0,0]=3 397 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [2,0,0,0,0,0|2,0,0]=4 398 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [2,0,0,0,0,0|1,0,1]=4 399 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [2,0,0,0,0,0|2,0,0]=4 400 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [2,0,0,0,0,0|2,0,0]=4 401 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [2,0,0,0,0,0|1,0,1]=4 402 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [2,0,0,0,0,0|1,0,1]=4 403 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [2,0,0,0,0,0|1,0,1]=4 404 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [2,0,0,0,0,0|1,0,1]=4 405 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [2,0,0,0,0,0|1,0,1]=4 406 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [2,0,0,0,0,0|0,1,1]=4 407 B7R0.15 CC[C@H](NC)C(=O)N MCULE-6927041915 [2,0,0,0,0,0|2,0,0]=4 408 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8566282898 [2,0,0,0,0,0|2,0,0]=4 409 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8659413445 [2,0,0,0,0,0|2,0,0]=4 410 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8863599251 [2,0,0,0,0,0|2,0,0]=4 411 B7R0.15 CNC(CN)C(=O)N MCULE-4431940195 [2,0,0,0,0,0|2,0,0]=4 412 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [2,0,0,0,0,0|0,1,0]=3 413 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [2,0,0,0,0,0|0,1,0]=3 414 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [2,0,0,0,0,0|0,0,0]=2 415 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [2,0,0,0,0,0|0,0,0]=2 416 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [2,0,0,0,0,0|1,0,0]=3 417 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [2,0,0,0,0,0|1,0,0]=3 418 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [2,0,0,0,0,0|0,1,0]=3 419 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [2,0,0,0,0,0|0,1,0]=3 420 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [2,0,0,0,0,0|0,1,0]=3 421 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [2,0,0,0,0,0|0,1,0]=3 422 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [2,0,0,0,0,0|0,0,0]=2 423 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [2,0,0,0,0,0|0,0,0]=2 424 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [2,0,0,0,0,0|0,1,0]=3 425 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [2,0,0,0,0,0|0,1,0]=3 426 B7R0.15 COC(CBr)C(=O)O MCULE-5528365617 [2,0,0,0,0,0|2,0,0]=4 427 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [2,0,0,0,0,0|2,0,0]=4 428 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [2,0,0,0,0,0|2,0,0]=4 429 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [2,0,0,0,0,0|2,0,0]=4 430 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [2,0,0,0,0,0|2,0,0]=4 431 B7R0.15 O=C(O)C(CS)CS MCULE-3175815620 [2,0,0,0,0,0|0,1,1]=4 432 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [2,0,0,0,0,0|1,1,0]=4 433 B7R0.2 C=CC(C)OC(=O)C MCULE-9221300039 [2,0,0,0,0,0|2,0,0]=4 434 B7R0.2 CC(=O)NC(=O)CBr MCULE-3222708274 [2,0,0,0,0,0|1,0,1]=4 435 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [2,0,0,0,0,0|1,0,1]=4 436 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [2,0,0,0,0,0|1,0,1]=4 437 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [2,0,0,0,0,0|0,0,1]=3 438 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [2,0,0,0,0,0|0,0,1]=3 439 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [2,0,0,0,0,0|0,0,1]=3 440 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [2,0,0,0,0,0|2,0,0]=4 441 B7R0.6 C=C(Br)CNC(=O)C MCULE-4123179812 [2,0,0,0,0,0|2,0,0]=4 442 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [2,0,0,0,0,0|2,0,0]=4 443 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [2,0,0,0,0,0|1,0,0]=3 444 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [2,0,0,0,0,0|2,0,0]=4 445 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [2,0,0,0,0,0|1,0,1]=4 446 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [2,0,0,0,0,0|1,0,1]=4 447 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [2,0,0,0,0,0|2,0,0]=4 448 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [2,0,0,0,0,0|2,0,0]=4 449 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [2,0,0,0,0,0|1,0,0]=3 450 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [2,0,0,0,0,0|1,0,1]=4 451 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [2,0,0,0,0,0|1,0,0]=3 452 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [2,0,0,0,0,0|2,0,0]=4 453 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [2,0,0,0,0,0|2,0,0]=4 454 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [2,0,0,0,0,0|1,0,0]=3 455 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [2,0,0,0,0,0|1,0,0]=3 456 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [2,0,0,0,0,0|0,0,0]=2 457 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [2,0,0,0,0,0|1,0,1]=4 458 B7R0.6 CC(=O)NNC(=O)C MCULE-3292268906 [2,0,0,0,0,0|2,0,0]=4 459 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [2,0,0,0,0,0|2,0,0]=4 460 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [2,0,0,0,0,0|1,0,0]=3 461 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [2,0,0,0,0,0|1,0,0]=3 462 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [2,0,0,0,0,0|0,1,0]=3 463 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [2,0,0,0,0,0|1,0,1]=4 464 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [2,0,0,0,0,0|1,0,1]=4 465 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [2,0,0,0,0,0|2,0,0]=4 466 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [2,0,0,0,0,0|2,0,0]=4 467 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [2,0,0,0,0,0|2,0,0]=4 468 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [2,0,0,0,0,0|2,0,0]=4 469 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [2,0,0,0,0,0|1,0,0]=3 470 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [2,0,0,0,0,0|2,0,0]=4 471 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [2,0,0,0,0,0|1,1,0]=4 472 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [2,0,0,0,0,0|2,0,0]=4 473 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [2,0,0,0,0,0|2,0,0]=4 474 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [2,0,0,0,0,0|2,0,0]=4 475 B9R0.15 CCCC(NC=O)C(=O)O MCULE-7516123408 [1,1,0,0,0,0|1,0,0]=3 476 B9R0.29 CCC(C(=O)O)N(C)CC MCULE-1956799237 [1,1,0,0,0,0|1,0,1]=4 477 B9R0.33 CC(C)[C@H](NC=O)C(=O)O MCULE-7474560828 [1,1,0,0,0,0|1,0,0]=3 478 B9R0.33 CC(C)[C@H](NC=O)C(=O)O MCULE-9296824406 [1,1,0,0,0,0|1,0,0]=3 479 B9R0.33 CCNC(C(=O)O)C(C)C MCULE-2742420034 [1,1,0,0,0,0|1,0,1]=4 480 B9R0.33 CCNC(C(=O)O)C(C)C MCULE-6750636271 [1,1,0,0,0,0|1,0,1]=4 481 B9R0.11 C=C(C)CC(C)(C)C(=O)O MCULE-2137357994 [1,1,0,0,0,0|2,0,0]=4 482 B9R0.11 CC(=O)CC(C)(C)C(=O)O MCULE-3548808704 [1,1,0,0,0,0|1,0,0]=3 483 B9R0.11 CC(=O)NC(C)(C)C(=O)O MCULE-7910205661 [1,1,0,0,0,0|0,0,0]=2 484 B9R0.11 CC(=O)OC(C)(C)C(=O)Br MCULE-1873853072 [1,1,0,0,0,0|2,0,0]=4 485 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl MCULE-8604882443 [1,1,0,0,0,0|2,0,0]=4 486 B9R0.11 CC(=O)OC(C)(C)C(=O)O MCULE-7786541244 [1,1,0,0,0,0|1,0,0]=3 487 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [1,1,0,0,0,0|2,0,0]=4 488 B9R0.11 CC(C)(NC(=O)N)C(=O)O MCULE-3780805662 [1,1,0,0,0,0|1,0,0]=3 489 B9R0.11 CC(F)(NC(=O)N)C(=O)O MCULE-5893224532 [1,1,0,0,0,0|1,0,0]=3 490 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [1,1,0,0,0,0|2,0,0]=4 491 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [1,1,0,0,0,0|2,0,0]=4 492 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [1,1,0,0,0,0|2,0,0]=4 493 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [1,1,0,0,0,0|2,0,0]=4 494 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [1,1,0,0,0,0|2,0,0]=4 495 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-5803295303 [1,1,0,0,0,0|2,0,0]=4 496 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-9662132548 [1,1,0,0,0,0|2,0,0]=4 497 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [1,1,0,0,0,0|2,0,0]=4 498 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [1,1,0,0,0,0|2,0,0]=4 499 B9R0.11 O=C(O)CC(S)(S)C(=O)O MCULE-7344489814 [1,1,0,0,0,0|2,0,0]=4 500 B9R0.23 C=C(NC(=O)C)C(=O)OC MCULE-8995388871 [1,1,0,0,0,0|0,0,2]=4 501 B9R0.23 CNC(=O)C(C)NC(=O)C MCULE-9465926492 [1,1,0,0,0,0|1,0,0]=3 502 B9R0.23 CNC(=O)[C@H](C)NC(=O)C MCULE-5078086866 [1,1,0,0,0,0|1,0,0]=3 503 B9R0.23 CNC(=O)[C@H](C)NC(=O)C MCULE-8878746603 [1,1,0,0,0,0|1,0,0]=3 504 B9R0.23 COC(=O)C(C)CC(=O)C MCULE-2131243248 [1,1,0,0,0,0|1,0,0]=3 505 B9R0.23 COC(=O)C(C)CC(=O)O MCULE-5268313344 [1,1,0,0,0,0|2,0,0]=4 506 B9R0.23 COC(=O)C(C)NC(=O)C MCULE-7499205437 [1,1,0,0,0,0|0,0,0]=2 507 B9R0.23 COC(=O)C(C)NC(=O)C MCULE-9931125485 [1,1,0,0,0,0|0,0,0]=2 508 B9R0.23 COC(=O)C(C)OC(=O)C MCULE-7908136641 [1,1,0,0,0,0|1,0,0]=3 509 B9R0.23 COC(=O)[C@@H](C)CC(=O)O MCULE-8145746541 [1,1,0,0,0,0|2,0,0]=4 510 B9R0.23 COC(=O)[C@@H](C)NC(=O)C MCULE-3683972950 [1,1,0,0,0,0|0,0,0]=2 511 B9R0.23 COC(=O)[C@@H](C)NC(=O)C MCULE-9078107491 [1,1,0,0,0,0|0,0,0]=2 512 B9R0.23 COC(=O)[C@H](C)NC(=O)C MCULE-9272877417 [1,1,0,0,0,0|0,0,0]=2 513 B9R0.23 COC(=O)[C@H](C)NC(=O)C MCULE-9675191541 [1,1,0,0,0,0|0,0,0]=2 514 B9R0.23 COC(=O)[C@H](C)OC(=O)C MCULE-7231856462 [1,1,0,0,0,0|1,0,0]=3 515 B9R0.23 COC(=O)[C@H](C)OC(=O)C MCULE-9967813219 [1,1,0,0,0,0|1,0,0]=3 516 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [1,1,0,0,0,0|2,0,0]=4 517 B9R0.42 C=C(NC(=O)CCl)C(=O)O MCULE-5735536490 [1,1,0,0,0,0|0,0,2]=4 518 B9R0.42 C=C(NC(=O)CN)C(=O)O MCULE-8924892837 [1,1,0,0,0,0|0,0,2]=4 519 B9R0.42 C=CC(=O)NC(O)C(=O)O MCULE-6399920412 [1,1,0,0,0,0|0,1,1]=4 520 B9R0.42 CC(NC(=O)CCl)C(=O)O MCULE-6899086052 [1,1,0,0,0,0|0,0,0]=2 521 B9R0.42 CC(NC(=O)CN)C(=O)N MCULE-2418100977 [1,1,0,0,0,0|1,0,0]=3 522 B9R0.42 CC(NC(=O)CN)C(=O)N MCULE-5562877537 [1,1,0,0,0,0|1,0,0]=3 523 B9R0.42 CC(NC(=O)CN)C(=O)O MCULE-2027405418 [1,1,0,0,0,0|0,0,0]=2 524 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [1,1,0,0,0,0|2,0,0]=4 525 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [1,1,0,0,0,0|2,0,0]=4 526 B9R0.42 CCC(=O)NC(C)C(=O)O MCULE-5488194337 [1,1,0,0,0,0|0,0,0]=2 527 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O MCULE-5552061501 [1,1,0,0,0,0|0,0,0]=2 528 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [1,1,0,0,0,0|2,0,0]=4 529 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [1,1,0,0,0,0|2,0,0]=4 530 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [1,1,0,0,0,0|2,0,0]=4 531 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [1,1,0,0,0,0|2,0,0]=4 532 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [1,1,0,0,0,0|2,0,0]=4 533 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [1,1,0,0,0,0|2,0,0]=4 534 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-5595331018 [1,1,0,0,0,0|1,0,0]=3 535 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-9262719853 [1,1,0,0,0,0|1,0,0]=3 536 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [1,1,0,0,0,0|2,0,0]=4 537 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [1,1,0,0,0,0|2,0,0]=4 538 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [1,1,0,0,0,0|2,0,0]=4 539 B9R0.42 COC(=O)CC(O)C(=O)O MCULE-7105554854 [1,1,0,0,0,0|1,1,0]=4 540 B9R0.42 COC(=O)C[C@@H](C)C(=O)Cl MCULE-7326666072 [1,1,0,0,0,0|2,0,0]=4 541 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-4861767896 [1,1,0,0,0,0|1,0,0]=3 542 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-6107558545 [1,1,0,0,0,0|1,0,0]=3 543 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [1,1,0,0,0,0|2,0,0]=4 544 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [1,1,0,0,0,0|2,0,0]=4 545 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [1,1,0,0,0,0|2,0,0]=4 546 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [1,1,0,0,0,0|2,0,0]=4 547 B9R0.42 COC(=O)C[C@@H](O)C(=O)O MCULE-8916007864 [1,1,0,0,0,0|1,1,0]=4 548 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-1205037322 [1,1,0,0,0,0|1,0,0]=3 549 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-7536209773 [1,1,0,0,0,0|1,0,0]=3 550 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [1,1,0,0,0,0|2,0,0]=4 551 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [1,1,0,0,0,0|2,0,0]=4 552 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [1,1,0,0,0,0|2,0,0]=4 553 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [1,1,0,0,0,0|2,0,0]=4 554 B9R0.42 COC(=O)C[C@H](O)C(=O)O MCULE-9897810817 [1,1,0,0,0,0|1,1,0]=4 555 B9R0.42 COC(=O)NC(C)C(=O)O MCULE-9255316794 [1,1,0,0,0,0|0,0,0]=2 556 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-3970003504 [1,1,0,0,0,0|0,0,0]=2 557 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-7941497211 [1,1,0,0,0,0|0,0,0]=2 558 B9R0.42 C[C@H](NC(=O)CBr)C(=O)O MCULE-2038149065 [1,1,0,0,0,0|0,0,0]=2 559 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O MCULE-3478867157 [1,1,0,0,0,0|0,0,0]=2 560 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O MCULE-8272505742 [1,1,0,0,0,0|0,0,0]=2 561 B9R0.42 C[C@H](NC(=O)CN)C(=O)N MCULE-1477107832 [1,1,0,0,0,0|1,0,0]=3 562 B9R0.42 C[C@H](NC(=O)CN)C(=O)N MCULE-7070402577 [1,1,0,0,0,0|1,0,0]=3 563 B9R0.42 C[C@H](NC(=O)CN)C(=O)O MCULE-2496637228 [1,1,0,0,0,0|0,0,0]=2 564 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [1,1,0,0,0,0|2,0,0]=4 565 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [1,1,0,0,0,0|2,0,0]=4 566 B9R0.42 [C@@H](C)(NC(=O)CN)C(=O)O MCULE-7578084271 [1,1,0,0,0,0|0,0,0]=2 567 B9R0.57 CC(CS(=O)(=O)C)C(=O)O MCULE-2992876868 [1,1,0,0,0,0|2,0,0]=4 568 B9R0.57 CC(NC(C)(C)C)C(=O)O MCULE-8104914924 [1,1,0,0,0,0|1,0,1]=4 569 B9R0.57 CC(NC(C)(C)C)C(=O)O MCULE-8686537841 [1,1,0,0,0,0|1,0,1]=4 570 B9R0.57 CC(NS(=O)(=O)C)C(=O)O MCULE-2056263094 [1,1,0,0,0,0|1,0,0]=3 571 B9R0.57 CC(OS(=O)(=O)C)C(=O)O MCULE-6814271322 [1,1,0,0,0,0|2,0,0]=4 572 B9R0.57 C[C@@H](OS(=O)(=O)C)C(=O)O MCULE-3187136828 [1,1,0,0,0,0|2,0,0]=4 573 B9R0.57 C[C@H](OS(=O)(=O)C)C(=O)O MCULE-2778053479 [1,1,0,0,0,0|2,0,0]=4 574 B9R0.57 C[C@H](OS(=O)(=O)C)C(=O)O MCULE-4590226415 [1,1,0,0,0,0|2,0,0]=4 575 B9R0.79 CC(=O)C(C)C(C)C(=O)C MCULE-1642593127 [1,1,0,0,0,0|2,0,0]=4 576 B9R0.79 CC(=O)N(C)C(C)C(=O)O MCULE-8770175961 [1,1,0,0,0,0|0,0,0]=2 577 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [1,1,0,0,0,0|2,0,0]=4 578 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [1,1,0,0,0,0|2,0,0]=4 579 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [1,1,0,0,0,0|2,0,0]=4 580 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [1,1,0,0,0,0|2,0,0]=4 581 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [1,1,0,0,0,0|2,0,0]=4 582 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [1,1,0,0,0,0|2,0,0]=4 583 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [1,1,0,0,0,0|2,0,0]=4 584 B9R0.79 O=C(O)C(S)C(S)C(=O)O MCULE-6206640169 [1,1,0,0,0,0|2,0,0]=4 585 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O MCULE-4953802229 [1,1,0,0,0,0|2,0,0]=4 586 B9R0.54 CC(C)C(C(=O)O)C(=O)O MCULE-5431269503 [0,1,0,0,1,0|2,0,0]=4 587 B9R0.76 CCC(C)(C(=O)O)C(=O)O MCULE-2432593138 [0,1,0,0,1,0|2,0,0]=4 588 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)N MCULE-5157971327 [0,1,0,0,0,1|0,1,1]=4 589 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O MCULE-8912395007 [0,1,0,0,0,1|0,1,1]=4 590 B11R0.32 CC(=O)NC(NC(=O)C)C(Cl)Cl MCULE-7276471005 [0,1,0,0,0,1|2,0,0]=4 591 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)N MCULE-2089104598 [0,1,0,0,0,1|0,1,1]=4 592 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)N MCULE-2463301038 [0,1,0,0,0,1|0,1,1]=4 593 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-2346017798 [0,1,0,0,0,1|0,1,1]=4 594 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-5208660790 [0,1,0,0,0,1|0,1,1]=4 595 B11R0.28 CC(=O)CCC(C(=O)O)C(C)C MCULE-5205208596 [0,1,0,0,0,1|2,0,0]=4 596 B11R0.146 CCCC(CCC(=O)C)C(=O)O MCULE-7919400845 [0,1,0,0,0,1|2,0,0]=4 597 B11R0.275 CC(C)C(=O)N[C@@H](CS)C(=O)O MCULE-1923581341 [0,1,0,0,0,1|1,0,1]=4 598 B11R0.39 COC(=O)C(CCBr)OC(=O)C MCULE-9434144963 [0,2,0,0,0,0|2,0,0]=4 599 B11R0.39 COC(=O)C(CCBr)SC(=O)C MCULE-8807713531 [0,2,0,0,0,0|2,0,0]=4 600 B11R0.115 CCC(C)C(NC(=O)C)C(=O)N MCULE-3436837406 [0,2,0,0,0,0|2,0,0]=4 601 B11R0.115 CCC(C)C(NC(=O)C)C(=O)O MCULE-4181667774 [0,2,0,0,0,0|1,0,0]=3 602 B11R0.115 CC[C@H](C)[C@@H](NC(=O)C)C(=O)O MCULE-5204918668 [0,2,0,0,0,0|1,0,0]=3 603 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N MCULE-3623918080 [0,2,0,0,0,0|2,0,0]=4 604 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N MCULE-5822222988 [0,2,0,0,0,0|2,0,0]=4 605 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O MCULE-1874701839 [0,2,0,0,0,0|1,0,0]=3 606 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O MCULE-2741794137 [0,2,0,0,0,0|1,0,0]=3 607 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O MCULE-6557323131 [0,2,0,0,0,0|1,0,0]=3 608 B11R0.115 CNC(=O)[C@@H](NC(=O)C)C(C)C MCULE-6257337423 [0,2,0,0,0,0|2,0,0]=4 609 B11R0.115 COC(=O)C(NC(=O)C)C(C)C MCULE-2098636411 [0,2,0,0,0,0|1,0,0]=3 610 B11R0.115 COC(=O)[C@@H](NC(=O)C)C(C)C MCULE-2606738774 [0,2,0,0,0,0|1,0,0]=3 611 B11R0.115 COC(=O)[C@@H](NC(=O)C)C(C)C MCULE-6470945106 [0,2,0,0,0,0|1,0,0]=3 612 B11R0.115 COC(=O)[C@@H](NC(=O)C)C(O)Cl MCULE-6166541023 [0,2,0,0,0,0|0,1,0]=3 613 B11R0.115 COC(=O)[C@@H](NC(=O)C)[C@@H](C)O MCULE-1574840517 [0,2,0,0,0,0|0,1,0]=3 614 B11R0.115 COC(=O)[C@@H](NC(=O)C)[C@@H](C)O MCULE-8509991327 [0,2,0,0,0,0|0,1,0]=3 615 B11R0.115 [C@@H](C)(CC)[C@@H](NC(=O)C)C(=O)O MCULE-5237529088 [0,2,0,0,0,0|1,0,0]=3 616 B11R0.115 [C@@H](NC(=O)C)(C(=O)O)C(C)CC MCULE-8702697039 [0,2,0,0,0,0|1,0,0]=3 617 B11R0.115 [C@@H](NC(=O)N)(C(=O)O)C(C)CC MCULE-3282905656 [0,2,0,0,0,0|2,0,0]=4 618 B11R0.115 [C@H](C)(CC)[C@@H](NC(=O)C)C(=O)O MCULE-2360572915 [0,2,0,0,0,0|1,0,0]=3 619 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O MCULE-1427956391 [0,2,0,0,0,0|1,0,0]=3 620 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O MCULE-1647417475 [0,2,0,0,0,0|1,0,0]=3 621 B11R0.160 CC(=O)N[C@@H](CSN=O)C(=O)O MCULE-4397408409 [0,2,0,0,0,0|0,0,0]=2 622 B11R0.160 CCCCC(NC(=O)C)C(=O)C MCULE-9516659128 [0,2,0,0,0,0|2,0,0]=4 623 B11R0.160 CCCCC(NC(=O)C)C(=O)O MCULE-1796227277 [0,2,0,0,0,0|1,0,0]=3 624 B11R0.160 CCCCC(NC(=O)C)C(=O)O MCULE-2709462387 [0,2,0,0,0,0|1,0,0]=3 625 B11R0.160 CCCCC(NC(=O)N)C(=O)O MCULE-2177545582 [0,2,0,0,0,0|2,0,0]=4 626 B11R0.160 CCCC[C@@H](NC(=O)C)C(=O)O MCULE-5788818981 [0,2,0,0,0,0|1,0,0]=3 627 B11R0.160 CCCC[C@@H](NC(=O)C)C(=O)O MCULE-8915739057 [0,2,0,0,0,0|1,0,0]=3 628 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)O MCULE-3651693998 [0,2,0,0,0,0|1,0,0]=3 629 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)O MCULE-4560203101 [0,2,0,0,0,0|1,0,0]=3 630 B11R0.160 CCSCC(NC(=O)C)C(=O)O MCULE-9115578925 [0,2,0,0,0,0|0,0,0]=2 631 B11R0.160 CCSC[C@H](NC(=O)C)C(=O)O MCULE-5694706376 [0,2,0,0,0,0|0,0,0]=2 632 B11R0.160 COCCC(NC(=O)C)C(=O)O MCULE-9296272594 [0,2,0,0,0,0|0,1,0]=3 633 B11R0.160 CSCCC(NC(=O)C)C(=O)N MCULE-1955833225 [0,2,0,0,0,0|1,0,0]=3 634 B11R0.160 CSCCC(NC(=O)C)C(=O)O MCULE-6118079123 [0,2,0,0,0,0|0,0,0]=2 635 B11R0.160 CSCCC(NC(=O)N)C(=O)N MCULE-9253477279 [0,2,0,0,0,0|2,0,0]=4 636 B11R0.160 CSCCC(NC(=O)N)C(=O)O MCULE-8995512478 [0,2,0,0,0,0|1,0,0]=3 637 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)O MCULE-3164935915 [0,2,0,0,0,0|0,0,0]=2 638 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)O MCULE-9459431743 [0,2,0,0,0,0|0,0,0]=2 639 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N MCULE-3483850242 [0,2,0,0,0,0|1,0,0]=3 640 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N MCULE-9538917660 [0,2,0,0,0,0|1,0,0]=3 641 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)O MCULE-8710138272 [0,2,0,0,0,0|0,0,0]=2 642 B11R0.160 CSCC[C@H](NC(=O)N)C(=O)O MCULE-5006828039 [0,2,0,0,0,0|1,0,0]=3 643 B11R0.160 [C@@H](CCSC)(NC(=O)C)C(=O)O MCULE-5012891970 [0,2,0,0,0,0|0,0,0]=2 644 B11R0.236 C=CCC(NC(=O)OC)C(=O)O MCULE-2603702971 [0,2,0,0,0,0|1,0,0]=3 645 B11R0.236 C=CC[C@H](NC(=O)OC)C(=O)O MCULE-2015140127 [0,2,0,0,0,0|1,0,0]=3 646 B11R0.236 C=CC[C@H](NC(=O)OC)C(=O)O MCULE-3332528356 [0,2,0,0,0,0|1,0,0]=3 647 B11R0.236 CCCC(NC(=O)CCl)C(=O)O MCULE-4178827028 [0,2,0,0,0,0|1,0,0]=3 648 B11R0.236 CCCC(NC(=O)CN)C(=O)O MCULE-3680152818 [0,2,0,0,0,0|1,0,0]=3 649 B11R0.236 CCC[C@H](NC(=O)CCl)C(=O)O MCULE-2223443521 [0,2,0,0,0,0|1,0,0]=3 650 B11R0.88 COC(=O)NC(CCl)C(=O)OC MCULE-4283941967 [0,2,0,0,0,0|1,0,0]=3 651 B11R0.88 COC(=O)NC(OC)C(=O)OC MCULE-5133855331 [0,2,0,0,0,0|2,0,0]=4 652 B11R0.88 COC(=O)N[C@@H](CCl)C(=O)OC MCULE-9559637341 [0,2,0,0,0,0|1,0,0]=3 653 B11R0.108 CC(=O)C(NC(=O)CCl)C(C)C MCULE-1540767020 [0,2,0,0,0,0|2,0,0]=4 654 B11R0.108 CC(C)C(NC(=O)CCl)C(=O)O MCULE-1203892200 [0,2,0,0,0,0|1,0,0]=3 655 B11R0.108 CC(C)C(NC(=O)CN)C(=O)O MCULE-4472224636 [0,2,0,0,0,0|1,0,0]=3 656 B11R0.108 CC(C)C(NC(=O)CN)C(=O)O MCULE-6309803593 [0,2,0,0,0,0|1,0,0]=3 657 B11R0.108 CC(C)[C@@H](NC(=O)CN)C(=O)O MCULE-5092294978 [0,2,0,0,0,0|1,0,0]=3 658 B11R0.108 CC(C)[C@@H](NC(=O)CN)C(=O)O MCULE-9121632356 [0,2,0,0,0,0|1,0,0]=3 659 B11R0.108 CC(C)[C@H](NC(=O)CCl)C(=O)O MCULE-2586080519 [0,2,0,0,0,0|1,0,0]=3 660 B11R0.108 CC(C)[C@H](NC(=O)CCl)C(=O)O MCULE-6553558540 [0,2,0,0,0,0|1,0,0]=3 661 B11R0.108 CC(C)[C@H](NC(=O)CN)C(=O)O MCULE-3588102951 [0,2,0,0,0,0|1,0,0]=3 662 B11R0.108 CC(C)[C@H](NC(=O)CN)C(=O)O MCULE-6230197891 [0,2,0,0,0,0|1,0,0]=3 663 B11R0.108 CC(O)C(NC(=O)CN)C(=O)O MCULE-7916237125 [0,2,0,0,0,0|0,1,0]=3 664 B11R0.108 CCC(=O)N[C@H](C(=O)O)C(C)C MCULE-2868833515 [0,2,0,0,0,0|1,0,0]=3 665 B11R0.108 CCC(=O)N[C@H](C(=O)O)C(C)C MCULE-7972254981 [0,2,0,0,0,0|1,0,0]=3 666 B11R0.108 COC(=O)NC(C(=O)O)C(C)C MCULE-3178281275 [0,2,0,0,0,0|1,0,0]=3 667 B11R0.108 COC(=O)NC(C(=O)O)C(C)C MCULE-5609688099 [0,2,0,0,0,0|1,0,0]=3 668 B11R0.108 COC(=O)N[C@@H](C(=O)O)C(C)C MCULE-2004220305 [0,2,0,0,0,0|1,0,0]=3 669 B11R0.108 COC(=O)N[C@H](C(=O)O)C(C)C MCULE-4761998877 [0,2,0,0,0,0|1,0,0]=3 670 B11R0.108 COC(=O)N[C@H](C(=O)O)C(C)C MCULE-5593997568 [0,2,0,0,0,0|1,0,0]=3 671 B11R0.108 C[C@@H](O)[C@H](NC(=O)CN)C(=O)O MCULE-2110837373 [0,2,0,0,0,0|0,1,0]=3 672 B11R0.108 C[C@@H](O)[C@H](NC(=O)CN)C(=O)O MCULE-4652714687 [0,2,0,0,0,0|0,1,0]=3 673 B11R0.108 [C@H](NC(=O)OC)(C(=O)O)C(C)C MCULE-6608047361 [0,2,0,0,0,0|1,0,0]=3 674 B11R0.278 CC[C@@H](C(=O)O)N(C)C(=O)CCl MCULE-5309540395 [0,2,0,0,0,0|1,0,0]=3 675 B11R0.56 CCOC(=O)C(C#N)NC(=O)C MCULE-5934292588 [0,2,0,0,0,0|1,0,1]=4 676 B11R0.56 CCOC(=O)C(CS)NC(=O)C MCULE-1175068125 [0,2,0,0,0,0|0,0,0]=2 677 B11R0.56 CCOC(=O)[C@H](CS)NC(=O)C MCULE-7006884800 [0,2,0,0,0,0|0,0,0]=2 678 B11R0.56 CCOC(=O)[C@H](CS)NC(=O)C MCULE-7933118972 [0,2,0,0,0,0|0,0,0]=2 679 B11R0.426 CC(C)C(NS(=O)(=O)C)C(=O)O MCULE-9167493892 [0,2,0,0,0,0|2,0,0]=4 680 B11R0.426 CC(C)[C@H](NS(=O)(=O)C)C(=O)O MCULE-8204241734 [0,2,0,0,0,0|2,0,0]=4 681 B11R0.427 CC(=O)NC(C)(C(=O)O)C(C)C MCULE-6185233720 [0,2,0,0,0,0|1,0,0]=3 682 B11R0.234 CC(=O)NC(C(=O)O)C(C)(C)C MCULE-8664701798 [0,2,0,0,0,0|1,0,0]=3 683 B11R0.234 CC(=O)NC(C(=O)O)C(C)(C)S MCULE-4274464810 [0,2,0,0,0,0|0,0,0]=2 684 B11R0.234 CC(=O)N[C@@H](C(=O)O)C(C)(C)C MCULE-1949334332 [0,2,0,0,0,0|1,0,0]=3 685 B11R0.234 CC(=O)N[C@@H](C(=O)O)C(C)(C)S MCULE-3114286376 [0,2,0,0,0,0|0,0,0]=2 686 B11R0.234 CC(=O)N[C@@H](C(=O)O)C(C)(C)S MCULE-6911816639 [0,2,0,0,0,0|0,0,0]=2 687 B11R0.234 CC(=O)N[C@H](C(=O)O)C(C)(C)C MCULE-2109188969 [0,2,0,0,0,0|1,0,0]=3 688 B11R0.234 CC(=O)N[C@H](C(=O)O)C(C)(C)C MCULE-4518125072 [0,2,0,0,0,0|1,0,0]=3 689 B11R0.234 CC(=O)OC(C(=O)O)C(F)(F)F MCULE-5424769307 [0,2,0,0,0,0|2,0,0]=4 690 B11R0.234 CC(C)(C)C(NC(=O)N)C(=O)O MCULE-8574533977 [0,2,0,0,0,0|2,0,0]=4 691 B9R1.6 C1(CNCCN1)C(=O)O MCULE-2145678876 [1,0,0,1,0,0|1,0,1]=4 692 B9R1.6 C1(CNCCN1)C(=O)O MCULE-9477513225 [1,0,0,1,0,0|1,0,1]=4 693 B9R1.6 C1(COCCN1)C(=O)O MCULE-7653061162 [1,0,0,1,0,0|0,1,1]=4 694 B9R1.6 C1(COCCN1)C(=O)O MCULE-8375563970 [1,0,0,1,0,0|0,1,1]=4 695 B9R1.6 NC(=O)C1CSCCN1 MCULE-5519659168 [1,0,0,1,0,0|1,0,1]=4 696 B9R1.6 O=C(O)C1C=CCCC1 MCULE-7827178223 [1,0,0,1,0,0|2,0,0]=4 697 B9R1.6 O=C(O)C1CCCCN1 MCULE-3485439173 [1,0,0,1,0,0|1,0,1]=4 698 B9R1.6 O=C(O)C1CCCCN1 MCULE-4576094783 [1,0,0,1,0,0|1,0,1]=4 699 B9R1.6 O=C(O)C1CCCCN1 MCULE-4851525706 [1,0,0,1,0,0|1,0,1]=4 700 B9R1.6 O=C(O)C1CCCCN1 MCULE-6801625058 [1,0,0,1,0,0|1,0,1]=4 701 B9R1.6 O=C(O)C1CCCNN1 MCULE-1480488255 [1,0,0,1,0,0|2,0,0]=4 702 B9R1.6 O=C(O)C1CCCNN1 MCULE-3054116225 [1,0,0,1,0,0|2,0,0]=4 703 B9R1.6 O=C(O)C1CCCSC1 MCULE-1777528306 [1,0,0,1,0,0|1,0,1]=4 704 B9R1.6 O=C(O)C1CNCCN1 MCULE-2689074129 [1,0,0,1,0,0|1,0,1]=4 705 B9R1.6 O=C(O)C1CNCCN1 MCULE-4697614875 [1,0,0,1,0,0|1,0,1]=4 706 B9R1.6 O=C(O)C1CNCCN1 MCULE-7015381558 [1,0,0,1,0,0|1,0,1]=4 707 B9R1.6 O=C(O)C1COCCN1 MCULE-2235592409 [1,0,0,1,0,0|0,1,1]=4 708 B9R1.6 O=C(O)C1COCCN1 MCULE-6865044459 [1,0,0,1,0,0|0,1,1]=4 709 B9R1.6 O=C(O)C1CSCCN1 MCULE-4003309722 [1,0,0,1,0,0|0,0,1]=3 710 B9R1.6 O=C(O)C1CSCCN1 MCULE-5519716572 [1,0,0,1,0,0|0,0,1]=3 711 B9R1.6 O=C(O)C1CSCCS1 MCULE-6267524662 [1,0,0,1,0,0|1,0,1]=4 712 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-3257537289 [1,0,0,1,0,0|1,0,1]=4 713 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-7236775885 [1,0,0,1,0,0|1,0,1]=4 714 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-8859089797 [1,0,0,1,0,0|1,0,1]=4 715 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-9674307172 [1,0,0,1,0,0|1,0,1]=4 716 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-1404699605 [1,0,0,1,0,0|2,0,0]=4 717 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-4463982289 [1,0,0,1,0,0|2,0,0]=4 718 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-6113826647 [1,0,0,1,0,0|2,0,0]=4 719 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-2545046706 [1,0,0,1,0,0|1,0,1]=4 720 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-5694807182 [1,0,0,1,0,0|1,0,1]=4 721 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7177432982 [1,0,0,1,0,0|1,0,1]=4 722 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7413709257 [1,0,0,1,0,0|1,0,1]=4 723 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-1789021231 [1,0,0,1,0,0|0,1,1]=4 724 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-4026574279 [1,0,0,1,0,0|0,1,1]=4 725 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-7736477261 [1,0,0,1,0,0|0,1,1]=4 726 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-8166049277 [1,0,0,1,0,0|0,1,1]=4 727 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-3905601111 [1,0,0,1,0,0|0,0,1]=3 728 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9668825603 [1,0,0,1,0,0|0,0,1]=3 729 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9675980130 [1,0,0,1,0,0|0,0,1]=3 730 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8281618311 [1,0,0,1,0,0|1,0,1]=4 731 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8486513131 [1,0,0,1,0,0|1,0,1]=4 732 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9333123477 [1,0,0,1,0,0|1,0,1]=4 733 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9786740249 [1,0,0,1,0,0|1,0,1]=4 734 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-5460978548 [1,0,0,1,0,0|2,0,0]=4 735 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-6296084302 [1,0,0,1,0,0|2,0,0]=4 736 B9R1.6 O=C(O)[C@H]1CCCSC1 MCULE-1373166628 [1,0,0,1,0,0|1,0,1]=4 737 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-2073761586 [1,0,0,1,0,0|1,0,1]=4 738 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-3099021896 [1,0,0,1,0,0|1,0,1]=4 739 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-5862899979 [1,0,0,1,0,0|1,0,1]=4 740 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-8591926633 [1,0,0,1,0,0|1,0,1]=4 741 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-9781518658 [1,0,0,1,0,0|1,0,1]=4 742 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-2388461804 [1,0,0,1,0,0|0,1,1]=4 743 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-3810653827 [1,0,0,1,0,0|0,1,1]=4 744 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-6589310258 [1,0,0,1,0,0|0,1,1]=4 745 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-9158991594 [1,0,0,1,0,0|0,1,1]=4 746 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-2174373928 [1,0,0,1,0,0|0,0,1]=3 747 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-5936347595 [1,0,0,1,0,0|0,0,1]=3 748 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-8464504119 [1,0,0,1,0,0|0,0,1]=3 749 B9R1.6 [C@H]1(CSCCN1)C(=O)O MCULE-2592294388 [1,0,0,1,0,0|0,0,1]=3 750 B9R1.22 CCC1NC(=O)NC1=O MCULE-7573161756 [1,0,0,1,0,0|2,0,0]=4 751 B9R1.22 CC[C@@H]1NC(=O)OC1=O MCULE-8362688943 [1,0,0,1,0,0|1,0,0]=3 752 B9R1.22 CC[C@H]1NC(=O)OC1=O MCULE-2218316523 [1,0,0,1,0,0|1,0,0]=3 753 B9R1.22 NCC1NC(=O)NC1=O MCULE-3949033042 [1,0,0,1,0,0|2,0,0]=4 754 B9R1.22 O=C1NC(=O)C(N1)CO MCULE-3745105690 [1,0,0,1,0,0|1,1,0]=4 755 B9R1.22 O=C1NC(=O)[C@@H](N1)CO MCULE-4356522352 [1,0,0,1,0,0|1,1,0]=4 756 B9R1.22 O=C1N[C@@H](C(=O)O1)CCl MCULE-3047027162 [1,0,0,1,0,0|1,0,0]=3 757 B9R1.22 O=C1N[C@H](C(=O)O1)CCl MCULE-4583448386 [1,0,0,1,0,0|1,0,0]=3 758 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [1,0,0,1,0,0|2,0,0]=4 759 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [1,0,0,1,0,0|2,0,0]=4 760 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [1,0,0,1,0,0|1,0,1]=4 761 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [1,0,0,1,0,0|1,0,1]=4 762 B9R1.35 CC1=NC(CS1)C(=O)O MCULE-2658936955 [1,0,0,1,0,0|0,0,1]=3 763 B9R1.35 CC1=NC(CS1)C(=O)[O-] MCULE-8494242040 [1,0,0,1,0,0|0,0,2]=4 764 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [1,0,0,1,0,0|1,0,1]=4 765 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [1,0,0,1,0,0|1,0,1]=4 766 B9R1.35 CC1NC(CS1)C(=O)O MCULE-3100233154 [1,0,0,1,0,0|0,0,1]=3 767 B9R1.35 CC1N[C@H](CS1)C(=O)O MCULE-6392464999 [1,0,0,1,0,0|0,0,1]=3 768 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [1,0,0,1,0,0|1,0,1]=4 769 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [1,0,0,1,0,0|1,0,1]=4 770 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [1,0,0,1,0,0|1,0,1]=4 771 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [1,0,0,1,0,0|1,0,1]=4 772 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [1,0,0,1,0,0|1,0,1]=4 773 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [1,0,0,1,0,0|1,0,1]=4 774 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [1,0,0,1,0,0|1,0,1]=4 775 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [1,0,0,1,0,0|1,0,1]=4 776 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [1,0,0,1,0,0|1,0,1]=4 777 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [1,0,0,1,0,0|1,0,1]=4 778 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [1,0,0,1,0,0|1,0,1]=4 779 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [1,0,0,1,0,0|1,0,1]=4 780 B9R1.35 NC(=O)C1CCC(=O)N1 MCULE-1717146839 [1,0,0,1,0,0|2,0,0]=4 781 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-5928054942 [1,0,0,1,0,0|2,0,0]=4 782 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-8978218986 [1,0,0,1,0,0|2,0,0]=4 783 B9R1.35 NC1=NC(CS1)C(=O)O MCULE-3669823666 [1,0,0,1,0,0|1,0,1]=4 784 B9R1.35 NC1=N[C@@H](CS1)C(=O)O MCULE-6192179870 [1,0,0,1,0,0|1,0,1]=4 785 B9R1.35 NC1=N[C@H](CS1)C(=O)O MCULE-7308504151 [1,0,0,1,0,0|1,0,1]=4 786 B9R1.35 O=C(O)C1CSC(=S)N1 MCULE-1769481962 [1,0,0,1,0,0|0,1,0]=3 787 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-3331947152 [1,0,0,1,0,0|0,1,0]=3 788 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-7575485678 [1,0,0,1,0,0|0,1,0]=3 789 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [1,0,0,1,0,0|2,0,0]=4 790 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [1,0,0,1,0,0|1,1,0]=4 791 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [1,0,0,1,0,0|1,0,0]=3 792 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [1,0,0,1,0,0|2,0,0]=4 793 B9R1.35 O=C1CCC(N1)C(=O)Cl MCULE-7943877958 [1,0,0,1,0,0|2,0,0]=4 794 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [1,0,0,1,0,0|1,0,0]=3 795 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [1,0,0,1,0,0|1,0,0]=3 796 B9R1.35 O=C1CCC(N1)C(=O)[O-] MCULE-1554748470 [1,0,0,1,0,0|1,0,1]=4 797 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [1,0,0,1,0,0|2,0,0]=4 798 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [1,0,0,1,0,0|2,0,0]=4 799 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [1,0,0,1,0,0|2,0,0]=4 800 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [1,0,0,1,0,0|2,0,0]=4 801 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [1,0,0,1,0,0|1,0,0]=3 802 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [1,0,0,1,0,0|1,0,0]=3 803 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [1,0,0,1,0,0|2,0,0]=4 804 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [1,0,0,1,0,0|2,0,0]=4 805 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [1,0,0,1,0,0|2,0,0]=4 806 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [1,0,0,1,0,0|2,0,0]=4 807 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [1,0,0,1,0,0|1,0,0]=3 808 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [1,0,0,1,0,0|1,0,0]=3 809 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [1,0,0,1,0,0|1,0,0]=3 810 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-2892153827 [1,0,0,1,0,0|1,0,1]=4 811 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-8083669516 [1,0,0,1,0,0|1,0,1]=4 812 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [1,0,0,1,0,0|2,0,0]=4 813 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [1,0,0,1,0,0|2,0,0]=4 814 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [1,0,0,1,0,0|2,0,0]=4 815 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [1,0,0,1,0,0|2,0,0]=4 816 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [1,0,0,1,0,0|2,0,0]=4 817 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [1,0,0,1,0,0|2,0,0]=4 818 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [1,0,0,1,0,0|2,0,0]=4 819 B9R1.35 O=C1NC(=CS1)C(=O)O MCULE-6848220699 [1,0,0,1,0,0|0,0,2]=4 820 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [1,0,0,1,0,0|0,1,0]=3 821 B9R1.35 O=C1NC(CS1)C(=O)O MCULE-4574359237 [1,0,0,1,0,0|0,0,0]=2 822 B9R1.35 O=C1NCC(N1)C(=O)O MCULE-5872947769 [1,0,0,1,0,0|1,0,0]=3 823 B9R1.35 O=C1NCC(O1)C(=O)O MCULE-2773613806 [1,0,0,1,0,0|2,0,0]=4 824 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-3499982275 [1,0,0,1,0,0|1,0,0]=3 825 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-9995046216 [1,0,0,1,0,0|1,0,0]=3 826 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-2524102915 [1,0,0,1,0,0|1,0,0]=3 827 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-5992511798 [1,0,0,1,0,0|1,0,0]=3 828 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-5972751457 [1,0,0,1,0,0|2,0,0]=4 829 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-6879191654 [1,0,0,1,0,0|2,0,0]=4 830 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [1,0,0,1,0,0|0,1,0]=3 831 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [1,0,0,1,0,0|0,1,0]=3 832 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-8232416107 [1,0,0,1,0,0|0,0,0]=2 833 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-9439896780 [1,0,0,1,0,0|0,0,0]=2 834 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [1,0,0,1,0,0|0,1,0]=3 835 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [1,0,0,1,0,0|0,1,0]=3 836 B9R1.35 O=C1N[C@H](CS1)C(=O)O MCULE-3120744944 [1,0,0,1,0,0|0,0,0]=2 837 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [1,0,0,1,0,0|1,1,0]=4 838 B9R1.41 CC1CCNC1C(=O)O MCULE-3835684911 [1,0,0,1,0,0|1,0,1]=4 839 B9R1.41 CC1CCNC1C(=O)O MCULE-8361777649 [1,0,0,1,0,0|1,0,1]=4 840 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O MCULE-6239309390 [1,0,0,1,0,0|1,0,1]=4 841 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-1608471752 [1,0,0,1,0,0|1,0,1]=4 842 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-2896759092 [1,0,0,1,0,0|1,0,1]=4 843 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-1694933393 [1,0,0,1,0,0|1,0,1]=4 844 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-9088637113 [1,0,0,1,0,0|1,0,1]=4 845 B9R1.41 C[C@H]1CCN[C@H]1C(=O)O MCULE-1449988566 [1,0,0,1,0,0|1,0,1]=4 846 B9R1.41 NC1CCNC1C(=O)O MCULE-3789976956 [1,0,0,1,0,0|1,0,1]=4 847 B9R1.41 NC1CCNC1C(=O)O MCULE-5356536056 [1,0,0,1,0,0|1,0,1]=4 848 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-1080605796 [1,0,0,1,0,0|1,0,1]=4 849 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5666272526 [1,0,0,1,0,0|1,0,1]=4 850 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5723263979 [1,0,0,1,0,0|1,0,1]=4 851 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-6574312344 [1,0,0,1,0,0|1,0,1]=4 852 B9R1.41 O=C(O)C1NCCC1F MCULE-2108063646 [1,0,0,1,0,0|1,0,1]=4 853 B9R1.41 O=C(O)C1NCCC1F MCULE-6901343291 [1,0,0,1,0,0|1,0,1]=4 854 B9R1.41 O=C(O)C1NCCC1O MCULE-3415911467 [1,0,0,1,0,0|0,1,1]=4 855 B9R1.41 O=C(O)C1NCCC1O MCULE-3678949962 [1,0,0,1,0,0|0,1,1]=4 856 B9R1.41 O=C(O)C1NCCC1O MCULE-6594922763 [1,0,0,1,0,0|0,1,1]=4 857 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-3174474393 [1,0,0,1,0,0|1,0,1]=4 858 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-5151888407 [1,0,0,1,0,0|1,0,1]=4 859 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1216340314 [1,0,0,1,0,0|0,1,1]=4 860 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1564327038 [1,0,0,1,0,0|0,1,1]=4 861 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-8208546333 [1,0,0,1,0,0|0,1,1]=4 862 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9489383113 [1,0,0,1,0,0|0,1,1]=4 863 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9999937302 [1,0,0,1,0,0|0,1,1]=4 864 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7001095632 [1,0,0,1,0,0|1,0,1]=4 865 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7931619369 [1,0,0,1,0,0|1,0,1]=4 866 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-1637514285 [1,0,0,1,0,0|0,1,1]=4 867 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-7041138309 [1,0,0,1,0,0|0,1,1]=4 868 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9174140225 [1,0,0,1,0,0|0,1,1]=4 869 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9867563873 [1,0,0,1,0,0|0,1,1]=4 870 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-1175817797 [1,0,0,1,0,0|1,0,1]=4 871 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-5823079222 [1,0,0,1,0,0|1,0,1]=4 872 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-6437141041 [1,0,0,1,0,0|1,0,1]=4 873 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-8496599400 [1,0,0,1,0,0|1,0,1]=4 874 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-1891620706 [1,0,0,1,0,0|0,1,1]=4 875 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2757873569 [1,0,0,1,0,0|0,1,1]=4 876 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2760733859 [1,0,0,1,0,0|0,1,1]=4 877 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F MCULE-8117073613 [1,0,0,1,0,0|1,0,1]=4 878 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-2253713572 [1,0,0,1,0,0|0,1,1]=4 879 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-4523708371 [1,0,0,1,0,0|0,1,1]=4 880 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6240521801 [1,0,0,1,0,0|0,1,1]=4 881 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6709232399 [1,0,0,1,0,0|0,1,1]=4 882 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6746975985 [1,0,0,1,0,0|0,1,1]=4 883 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-8268334758 [1,0,0,1,0,0|0,1,1]=4 884 B9R1.41 [C@@H]1(CCN[C@H]1C(=O)O)O MCULE-2060265421 [1,0,0,1,0,0|0,1,1]=4 885 B9R1.41 [C@@H]1(NCC[C@H]1O)C(=O)O MCULE-1208236317 [1,0,0,1,0,0|0,1,1]=4 886 B9R1.41 [C@H]1(CCN[C@H]1C(=O)O)O MCULE-3906438921 [1,0,0,1,0,0|0,1,1]=4 887 B9R1.96 CCN1CCC1C(=O)O MCULE-9616158921 [1,0,0,1,0,0|1,0,1]=4 888 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-1971461514 [1,0,0,1,0,0|1,0,1]=4 889 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-4762142431 [1,0,0,1,0,0|1,0,1]=4 890 B9R1.96 O=NN1CCC1C(=O)O MCULE-4855920103 [1,0,0,1,0,0|2,0,0]=4 891 B9R1.2 CCC1COCC(=O)N1 MCULE-1841359305 [1,0,0,1,0,0|1,0,1]=4 892 B9R1.2 CC[C@@H]1COCC(=O)N1 MCULE-9098123465 [1,0,0,1,0,0|1,0,1]=4 893 B9R1.2 O=C1CCCC(N1)CO MCULE-6546170250 [1,0,0,1,0,0|1,0,1]=4 894 B9R1.2 O=C1CCC[C@@H](N1)CO MCULE-6845836782 [1,0,0,1,0,0|1,0,1]=4 895 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-2745722091 [1,0,0,1,0,0|1,0,1]=4 896 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-3358051383 [1,0,0,1,0,0|1,0,1]=4 897 B9R1.2 O=C1CNC[C@H](N1)CO MCULE-7459264375 [1,0,0,1,0,0|1,0,1]=4 898 B9R1.2 O=C1COCC(N1)CO MCULE-2108098178 [1,0,0,1,0,0|0,1,1]=4 899 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-1640734818 [1,0,0,1,0,0|0,1,1]=4 900 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-6633625871 [1,0,0,1,0,0|0,1,1]=4 901 B9R1.67 CC(=O)OC1CCC1=O MCULE-2752800385 [1,0,0,1,0,0|2,0,0]=4 902 B9R1.69 CC1CC(=O)CCC1=O MCULE-2258739718 [1,0,0,1,0,0|2,0,0]=4 903 B9R1.69 CC1NC(=O)CCC1O MCULE-3879531993 [1,0,0,1,0,0|1,0,1]=4 904 B9R1.69 CC1NC(=O)CNC1=O MCULE-3674832613 [1,0,0,1,0,0|1,0,0]=3 905 B9R1.69 CC1NC(=O)CNC1=O MCULE-9058910414 [1,0,0,1,0,0|1,0,0]=3 906 B9R1.69 CC1OC(=O)COC1=O MCULE-8718960339 [1,0,0,1,0,0|1,0,0]=3 907 B9R1.69 C[C@@H]1NC(=O)CNC1=O MCULE-2449320004 [1,0,0,1,0,0|1,0,0]=3 908 B9R1.69 C[C@@H]1NC(=O)CNC1=O MCULE-7629090482 [1,0,0,1,0,0|1,0,0]=3 909 B9R1.69 C[C@H]1NC(=O)CNC1=O MCULE-5376605309 [1,0,0,1,0,0|1,0,0]=3 910 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-2919785082 [1,0,0,1,0,0|1,0,1]=4 911 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-4729598853 [1,0,0,1,0,0|1,0,1]=4 912 B9R1.152 C=C(C)C1(CC(=O)N1)C MCULE-1394575254 [1,0,0,1,0,0|2,0,0]=4 913 B9R1.152 C=C1CC(C1)(C)C(=O)O MCULE-7205894158 [1,0,0,1,0,0|2,0,0]=4 914 B9R1.152 CC1(CC(=O)C1)C(=O)O MCULE-5766836727 [1,0,0,1,0,0|1,0,0]=3 915 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [1,0,0,1,0,0|2,0,0]=4 916 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [1,0,0,1,0,0|2,0,0]=4 917 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [1,0,0,1,0,0|2,0,0]=4 918 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [1,0,0,1,0,0|2,0,0]=4 919 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [1,0,0,1,0,0|2,0,0]=4 920 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [1,0,0,1,0,0|2,0,0]=4 921 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [1,0,0,1,0,0|2,0,0]=4 922 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [1,0,0,1,0,0|2,0,0]=4 923 B9R1.27 CCC1C(=O)CCC1=O MCULE-9997239659 [0,0,0,1,1,0|2,0,0]=4 924 B9R1.168 CC(=O)C1(CC1)C(=O)C MCULE-1230306878 [0,0,0,1,1,0|2,0,0]=4 925 B9R1.168 CC(=O)C1(CC1)C(=O)O MCULE-4529598350 [0,0,0,1,1,0|1,0,0]=3 926 B9R1.168 NC(=O)C1(CC1)C(=O)O MCULE-5762715877 [0,0,0,1,1,0|2,0,0]=4 927 B9R1.168 O=C(O)C1(CC1)C(=O)O MCULE-3457962827 [0,0,0,1,1,0|2,0,0]=4 928 B11R1.157 CC(=O)CC1CCCC(=O)N1 MCULE-4485387072 [0,0,0,1,0,1|2,0,0]=4 929 B11R1.157 O=C(O)CC1CCCC(=O)C1 MCULE-2070450942 [0,0,0,1,0,1|2,0,0]=4 930 B11R1.157 O=C(O)CC1CCCC(=O)N1 MCULE-7470301343 [0,0,0,1,0,1|1,0,0]=3 931 B11R1.645 CC(=O)NC1CC(=O)OC1=O MCULE-4921755901 [0,0,0,1,0,1|0,1,1]=4 932 B11R1.166 CC1CC(=O)CCC1C(=O)O MCULE-7852085763 [0,0,0,1,0,1|2,0,0]=4 933 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O MCULE-2460783843 [0,0,0,1,0,1|2,0,0]=4 934 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O MCULE-7956491903 [0,0,0,1,0,1|2,0,0]=4 935 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O MCULE-3967440664 [0,0,0,1,0,1|2,0,0]=4 936 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O MCULE-5142454558 [0,0,0,1,0,1|2,0,0]=4 937 B11R1.175 CC(=O)N1CCC(C1)C(=O)O MCULE-5992331860 [0,0,0,1,0,1|1,0,0]=3 938 B11R1.175 CC(C)C1NC(CS1)C(=O)O MCULE-7579342031 [0,0,0,1,0,1|1,0,1]=4 939 B11R1.175 CC(C)C1NC(CS1)C(=O)O MCULE-7799535472 [0,0,0,1,0,1|1,0,1]=4 940 B11R1.175 O=C(O)C1CSC(N1)C(=O)O MCULE-7618690294 [0,0,0,1,0,1|1,0,0]=3 941 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]=4 942 B11R1.565 O=C1CCCC(CC1)C(=O)O MCULE-9475795957 [0,0,0,1,0,1|2,0,0]=4 943 B11R1.74 O=C1CC(=O)CC(C1)C(=O)O MCULE-2619134082 [0,1,0,1,0,0|1,1,0]=4 944 B11R1.74 O=C1CC(NC(=O)N1)C(=O)O MCULE-8091289320 [0,1,0,1,0,0|1,1,0]=4 945 B11R1.74 O=C1C[C@@H](NC(=O)N1)C(=O)O MCULE-4074220021 [0,1,0,1,0,0|1,1,0]=4 946 B11R1.74 O=C1C[C@@H](NC(=O)N1)C(=O)O MCULE-7764195040 [0,1,0,1,0,0|1,1,0]=4 947 B11R1.74 O=C1C[C@H](NC(=O)N1)C(=O)O MCULE-6513392402 [0,1,0,1,0,0|1,1,0]=4 948 B11R1.74 O=C1C[C@H](NC(=O)N1)C(=O)O MCULE-7404763627 [0,1,0,1,0,0|1,1,0]=4 949 B11R1.178 CC(=O)N1CCCC1C(=O)N MCULE-3826239589 [0,1,0,1,0,0|2,0,0]=4 950 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-1813411528 [0,1,0,1,0,0|1,0,0]=3 951 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-9022800854 [0,1,0,1,0,0|1,0,0]=3 952 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-1405603447 [0,1,0,1,0,0|1,0,0]=3 953 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-9216589773 [0,1,0,1,0,0|1,0,0]=3 954 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N MCULE-2667654412 [0,1,0,1,0,0|2,0,0]=4 955 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N MCULE-3510789923 [0,1,0,1,0,0|2,0,0]=4 956 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-1169221802 [0,1,0,1,0,0|1,0,0]=3 957 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-9915147289 [0,1,0,1,0,0|1,0,0]=3 958 B11R1.178 CC(=O)N1CCS[C@H]1C(=O)O MCULE-1643107830 [0,1,0,1,0,0|1,0,0]=3 959 B11R1.178 CC(=O)N1CSCC1C(=O)O MCULE-6153628068 [0,1,0,1,0,0|0,0,0]=2 960 B11R1.178 CC(=O)N1CSCC1C(=O)O MCULE-9095175540 [0,1,0,1,0,0|0,0,0]=2 961 B11R1.178 CC(=O)N1CSC[C@@H]1C(=O)O MCULE-5248938328 [0,1,0,1,0,0|0,0,0]=2 962 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O MCULE-4068934366 [0,1,0,1,0,0|0,0,0]=2 963 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O MCULE-8624310818 [0,1,0,1,0,0|0,0,0]=2 964 B11R1.178 NC(=O)N1CCCC1C(=O)O MCULE-2099814008 [0,1,0,1,0,0|2,0,0]=4 965 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-1581234645 [0,1,0,1,0,0|2,0,0]=4 966 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-2695707693 [0,1,0,1,0,0|2,0,0]=4 967 B11R1.178 O=C(O)[C@@H]1CCCN1C(=O)O MCULE-1970767326 [0,1,0,1,0,0|2,0,0]=4 968 B11R1.497 NC(=O)C1CSCCC(=O)N1 MCULE-9167752507 [0,1,0,1,0,0|1,0,0]=3 969 B11R1.497 O=C1CCCCC(C1)C(=O)O MCULE-7646723801 [0,1,0,1,0,0|2,0,0]=4 970 B11R1.497 O=C1CCCCC(N1)C(=O)O MCULE-3462654668 [0,1,0,1,0,0|1,0,0]=3 971 B11R1.497 O=C1CCSCC(N1)C(=O)O MCULE-1237852498 [0,1,0,1,0,0|0,0,0]=2 972 B11R1.929 CC(=O)CC1(CCC1)C(=O)O MCULE-7740494752 [0,1,0,1,0,0|2,0,0]=4 973 B11R1.929 CC(=O)NC1(CCC1)C(=O)O MCULE-6384958791 [0,1,0,1,0,0|1,0,0]=3 974 B11R1.21 CC1SCC(NC1=O)C(=O)O MCULE-5715274470 [0,1,0,1,0,0|0,0,0]=2 975 B11R1.21 CN1CCC(CC1=O)C(=O)O MCULE-7427834297 [0,1,0,1,0,0|2,0,0]=4 976 B11R1.21 CN1CC[C@@H](CC1=O)C(=O)O MCULE-5366315291 [0,1,0,1,0,0|2,0,0]=4 977 B11R1.21 CN1CC[C@@H](CC1=O)C(=O)O MCULE-9736243500 [0,1,0,1,0,0|2,0,0]=4 978 B11R1.167 CC(C)C1NC(=O)CNC1=O MCULE-4291970196 [0,1,0,1,0,0|2,0,0]=4 979 B11R1.167 CC(C)C1NC(=O)CNC1=O MCULE-4390994872 [0,1,0,1,0,0|2,0,0]=4 980 B11R1.167 CC(C)[C@@H]1NC(=O)CNC1=O MCULE-8179867886 [0,1,0,1,0,0|2,0,0]=4 981 B11R1.167 CC(C)[C@H]1NC(=O)CNC1=O MCULE-6593694528 [0,1,0,1,0,0|2,0,0]=4 982 B11R1.167 CC(O)C1NC(=O)CNC1=O MCULE-8265308288 [0,1,0,1,0,0|1,1,0]=4 983 B11R1.167 O=C1CCC(=O)[C@H](N1)C(=O)O MCULE-5858965627 [0,1,0,1,0,0|0,1,1]=4 984 B11R1.167 O=C1CNC(=O)C(N1)C(=O)O MCULE-9729486152 [0,1,0,1,0,0|0,1,1]=4 985 B11R1.167 [C@@H]1(NC(=O)CNC1=O)C(C)C MCULE-1212098069 [0,1,0,1,0,0|2,0,0]=4 986 B11R1.167 [C@H]1(NC(=O)CNC1=O)C(C)C MCULE-7643648003 [0,1,0,1,0,0|2,0,0]=4 987 B11R1.228 COC(=O)NC1CSCC1O MCULE-4212720770 [0,1,0,1,0,0|1,0,1]=4 988 B11R1.228 COC(=O)N[C@@H]1CSC[C@@H]1O MCULE-1431249719 [0,1,0,1,0,0|1,0,1]=4 989 B11R1.228 COC(=O)N[C@@H]1CSC[C@@H]1O MCULE-4721085110 [0,1,0,1,0,0|1,0,1]=4 990 B11R1.228 O=C(CCl)NC1CCSC1=O MCULE-2016123247 [0,1,0,1,0,0|1,1,0]=4 991 B11R1.277 C[C@@H]1NC(=O)[C@@H](NC1=O)CO MCULE-6508513051 [0,1,0,1,0,0|1,1,0]=4 992 B11R1.277 C[C@@H]1NC(=O)[C@@H](NC1=O)CO MCULE-9973164603 [0,1,0,1,0,0|1,1,0]=4 993 B11R1.277 C[C@H]1NC(=O)[C@@H](NC1=O)CO MCULE-6950665738 [0,1,0,1,0,0|1,1,0]=4 994 B11R1.672 CC1C(CC(=O)N1C)C(=O)O MCULE-2973465498 [0,1,0,1,0,0|2,0,0]=4 995 B11R1.870 COC(=O)C1CCC1C(=O)O MCULE-1249439118 [0,1,0,1,0,0|2,0,0]=4 996 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)O MCULE-3410242661 [0,1,0,1,0,0|2,0,0]=4 997 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)O MCULE-6051976113 [0,1,0,1,0,0|2,0,0]=4 998 B11R1.870 COC(=O)[C@@H]1CC[C@H]1C(=O)O MCULE-1075146717 [0,1,0,1,0,0|2,0,0]=4 999 B11R1.870 COC(=O)[C@@H]1CC[C@H]1C(=O)O MCULE-3918400311 [0,1,0,1,0,0|2,0,0]=4 1000 B11R1.870 COC(=O)[C@H]1CC[C@@H]1C(=O)O MCULE-1475117037 [0,1,0,1,0,0|2,0,0]=4 1001 B11R1.870 COC(=O)[C@H]1CC[C@@H]1C(=O)O MCULE-5543248614 [0,1,0,1,0,0|2,0,0]=4 1002 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O MCULE-1277383047 [0,1,0,1,0,0|2,0,0]=4 1003 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O MCULE-1925715721 [0,1,0,1,0,0|2,0,0]=4 1004 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 1005 B11R1.1493 COC(=O)NC1(CC1)C(=O)O MCULE-2002888871 [0,1,0,1,0,0|1,0,0]=3 1006 B11R1.8 CCC1NC(=O)CN(C1=O)C MCULE-8400693412 [0,1,0,1,0,0|2,0,0]=4 1007 B11R1.8 CN1CC(=O)N[C@H](C1=O)CO MCULE-6511003318 [0,1,0,1,0,0|1,1,0]=4 1008 B11R1.23 COC(=O)C1CCCC(=O)C1 MCULE-4326233018 [0,1,0,1,0,0|2,0,0]=4 1009 B11R1.23 COC(=O)C1CCCC(=O)N1 MCULE-8690572370 [0,1,0,1,0,0|1,0,0]=3 1010 B11R1.23 COC(=O)C1CNCC(=O)N1 MCULE-4044240233 [0,1,0,1,0,0|1,0,0]=3 1011 B11R1.23 COC(=O)C1COCC(=O)C1 MCULE-9367979634 [0,1,0,1,0,0|1,1,0]=4 1012 B11R1.23 COC(=O)[C@@H]1CCCC(=O)C1 MCULE-6640888029 [0,1,0,1,0,0|2,0,0]=4 1013 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 MCULE-2739256690 [0,1,0,1,0,0|1,0,0]=3 1014 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 MCULE-5386964384 [0,1,0,1,0,0|1,0,0]=3 1015 B11R1.23 COC(=O)[C@@H]1COCC(=O)C1 MCULE-3601624499 [0,1,0,1,0,0|1,1,0]=4 1016 B11R1.23 COC(=O)[C@H]1CCCC(=O)C1 MCULE-1252511775 [0,1,0,1,0,0|2,0,0]=4 1017 B11R1.23 COC(=O)[C@H]1CCCC(=O)N1 MCULE-8974857056 [0,1,0,1,0,0|1,0,0]=3 1018 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 MCULE-7434283814 [0,1,0,1,0,0|1,0,0]=3 1019 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 MCULE-9904980974 [0,1,0,1,0,0|1,0,0]=3 1020 B11R1.866 COC(=O)C1CSC(N1)(C)C MCULE-1621437832 [0,1,0,1,0,0|1,0,1]=4 1021 B11R1.866 COC(=O)C1CSC(N1)(C)C MCULE-7555464465 [0,1,0,1,0,0|1,0,1]=4 1022 B11R1.159 CN1C(=O)CCCC1C(=O)O MCULE-2434427513 [0,1,0,1,0,0|1,0,0]=3 1023 B11R1.159 CN1C(=O)NCCC1C(=O)O MCULE-7085809876 [0,1,0,1,0,0|2,0,0]=4 1024 B11R1.584 CC(=O)NC1C(=O)SC1(C)C MCULE-1070565401 [0,1,0,1,0,0|1,1,0]=4 1025 B11R1.489 CC1(CC(=O)NC1C(=O)O)C MCULE-5250835582 [0,1,0,1,0,0|1,0,0]=3 1026 B11R2.47 O=C1NC2CCC1NC2=O MCULE-2265765938 [0,0,0,2,0,0|2,0,0]=4 1027 B11R2.208 O=C1CNC(=O)C2(N1)CC2 MCULE-8085746439 [0,0,0,2,0,0|2,0,0]=4 1028 B11R2.530 O=C(O)C1C2C1C(=O)CC2 MCULE-6727222040 [0,0,0,2,0,0|2,0,0]=4 1029 B7R0.16 C=C(C)C(C)C(=O)C MCULE-2480790812 [1,0,0,0,1,0|2,0,0]=4 1030 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [1,0,0,0,1,0|2,0,0]=4 1031 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [1,0,0,0,1,0|2,0,0]=4 1032 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [1,0,0,0,1,0|2,0,0]=4 1033 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [1,0,0,0,1,0|2,0,0]=4 1034 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [1,0,0,0,1,0|2,0,0]=4 1035 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [1,0,0,0,1,0|2,0,0]=4 1036 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [1,0,0,0,1,0|2,0,0]=4 1037 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [1,0,0,0,1,0|2,0,0]=4 1038 B7R0.16 CC(=C(C)C(=O)O)Br MCULE-9431818570 [1,0,0,0,1,0|1,0,1]=4 1039 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [1,0,0,0,1,0|1,0,1]=4 1040 B7R0.16 CC(=O)C(Br)C(=O)C MCULE-2980550700 [1,0,0,0,1,0|2,0,0]=4 1041 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [1,0,0,0,1,0|1,0,0]=3 1042 B7R0.16 CC(=O)C(Cl)C(=O)C MCULE-4716617423 [1,0,0,0,1,0|2,0,0]=4 1043 B7R0.16 CC(=O)C(F)C(=O)C MCULE-4665621902 [1,0,0,0,1,0|2,0,0]=4 1044 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [1,0,0,0,1,0|2,0,0]=4 1045 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [1,0,0,0,1,0|2,0,0]=4 1046 B7R0.16 CC(=O)N(C)C(=O)C MCULE-6245493539 [1,0,0,0,1,0|2,0,0]=4 1047 B7R0.16 CC(C(=O)Cl)C(=O)Cl MCULE-5269923120 [1,0,0,0,1,0|2,0,0]=4 1048 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [1,0,0,0,1,0|2,0,0]=4 1049 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [1,0,0,0,1,0|1,0,0]=3 1050 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [1,0,0,0,1,0|2,0,0]=4 1051 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [1,0,0,0,1,0|2,0,0]=4 1052 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [1,0,0,0,1,0|2,0,0]=4 1053 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-4632089491 [1,0,0,0,1,0|1,0,1]=4 1054 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-8764180648 [1,0,0,0,1,0|1,0,1]=4 1055 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [1,0,0,0,1,0|1,0,1]=4 1056 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [1,0,0,0,1,0|1,0,1]=4 1057 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [1,0,0,0,1,0|1,0,1]=4 1058 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [1,0,0,0,1,0|1,0,1]=4 1059 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [1,0,0,0,1,0|1,0,1]=4 1060 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [1,0,0,0,1,0|0,0,2]=4 1061 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [1,0,0,0,1,0|2,0,0]=4 1062 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [1,0,0,0,1,0|2,0,0]=4 1063 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [1,0,0,0,1,0|2,0,0]=4 1064 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [1,0,0,0,1,0|2,0,0]=4 1065 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [1,0,0,0,1,0|2,0,0]=4 1066 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [1,0,0,0,1,0|1,0,1]=4 1067 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [1,0,0,0,1,0|1,0,1]=4 1068 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [1,0,0,0,1,0|0,0,2]=4 1069 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [1,0,0,0,1,0|2,0,0]=4 1070 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [1,0,0,0,1,0|2,0,0]=4 1071 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [1,0,0,0,1,0|2,0,0]=4 1072 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [1,0,0,0,1,0|1,1,0]=4 1073 B9R0.7 C/C(=N/NC(=O)N)/C(=O)O MCULE-9321060192 [1,0,0,0,0,1|1,0,1]=4 1074 B9R0.7 C/C(=N\NC(=O)N)/C(=O)O MCULE-7459723879 [1,0,0,0,0,1|1,0,1]=4 1075 B9R0.7 CC(=NNC(=O)N)C(=O)O MCULE-9419629764 [1,0,0,0,0,1|1,0,1]=4 1076 B9R0.7 CC(=NOC(C)C(=O)O)C MCULE-2667021953 [1,0,0,0,0,1|1,0,1]=4 1077 B9R0.7 CC(=O)NN=C(C)C(=O)O MCULE-4949211950 [1,0,0,0,0,1|0,0,1]=3 1078 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [1,0,0,0,0,1|2,0,0]=4 1079 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [1,0,0,0,0,1|2,0,0]=4 1080 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [1,0,0,0,0,1|2,0,0]=4 1081 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [1,0,0,0,0,1|2,0,0]=4 1082 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [1,0,0,0,0,1|2,0,0]=4 1083 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [1,0,0,0,0,1|2,0,0]=4 1084 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [1,0,0,0,0,1|2,0,0]=4 1085 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [1,0,0,0,0,1|2,0,0]=4 1086 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [1,0,0,0,0,1|2,0,0]=4 1087 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [1,0,0,0,0,1|2,0,0]=4 1088 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [1,0,0,0,0,1|2,0,0]=4 1089 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [1,0,0,0,0,1|2,0,0]=4 1090 B9R0.7 CC(=O)SCC(C)C(=O)N MCULE-5520753765 [1,0,0,0,0,1|2,0,0]=4 1091 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [1,0,0,0,0,1|1,0,0]=3 1092 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [1,0,0,0,0,1|2,0,0]=4 1093 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [1,0,0,0,0,1|2,0,0]=4 1094 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [1,0,0,0,0,1|1,0,0]=3 1095 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [1,0,0,0,0,1|1,0,0]=3 1096 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [1,0,0,0,0,1|2,0,0]=4 1097 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [1,0,0,0,0,1|2,0,0]=4 1098 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [1,0,0,0,0,1|2,0,0]=4 1099 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [1,0,0,0,0,1|2,0,0]=4 1100 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [1,0,0,0,0,1|1,0,0]=3 1101 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [1,0,0,0,0,1|1,0,0]=3 1102 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [1,0,0,0,0,1|1,0,0]=3 1103 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [1,0,0,0,0,1|2,0,0]=4 1104 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [1,0,0,0,0,1|2,0,0]=4 1105 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [1,0,0,0,0,1|2,0,0]=4 1106 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [1,0,0,0,0,1|2,0,0]=4 1107 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [1,0,0,0,0,1|1,0,0]=3 1108 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [1,0,0,0,0,1|1,0,0]=3 1109 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [1,0,0,0,0,1|2,0,0]=4 1110 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [1,0,0,0,0,1|2,0,0]=4 1111 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [1,0,0,0,0,1|2,0,0]=4 1112 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [1,0,0,0,0,1|0,0,0]=2 1113 B9R0.53 CC(=O)OC(C)OC(=O)C MCULE-7151313728 [1,0,0,0,0,1|2,0,0]=4 1114 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [1,0,0,0,0,1|2,0,0]=4 1115 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [1,0,0,0,0,1|1,0,0]=3 1116 B11R0.143 CC(=O)NCC(CCl)OC(=O)C MCULE-8683160467 [0,0,0,0,0,2|2,0,0]=4 1117 B11R0.143 CC(=O)NC[C@@H](CCl)OC(=O)C MCULE-3112255414 [0,0,0,0,0,2|2,0,0]=4 1118 B11R0.143 CC(=O)NC[C@@H](CCl)OC(=O)C MCULE-4692525356 [0,0,0,0,0,2|2,0,0]=4