0 B10R0.23 C#CCC(NC(=O)C)C(=O)O MCULE-9409389398 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.23 C=CCC(CC(C)C)C(=O)O MCULE-2926764647 [0,0,0,0,0,0|1,0,3]=4 2 B10R0.23 C=CCC(NC(=O)C)C(=O)O MCULE-7609607910 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.23 CC(=O)NC(CCO)C(=O)O MCULE-2399187108 [0,0,0,0,0,0|2,0,0]=2 4 B10R0.23 CC(=O)N[C@@H](CCS)C(=O)O MCULE-9792008044 [0,0,0,0,0,0|2,0,0]=2 5 B10R0.23 CC(C)CC(CCO)C(=O)[O-] MCULE-4548605892 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.23 CC(C)CC(CCO)C(=O)[O-] MCULE-9161317315 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.23 CCC=C(CC(=O)O)C(=O)O MCULE-1387104032 [0,0,0,0,0,0|1,0,2]=3 8 B10R0.23 CCCC(CC(=O)C)C(=O)O MCULE-7988753662 [0,0,0,0,0,0|0,0,0]=0 9 B10R0.23 CCCC(CC(=O)O)C(=O)O MCULE-5222720019 [0,0,0,0,0,0|1,0,0]=1 10 B10R0.23 CCCC(CC(C)C)C(=O)O MCULE-1147118949 [0,0,0,0,0,0|1,0,1]=2 11 B10R0.23 CCCC(NC(=O)C)C(=O)O MCULE-3719218412 [0,0,0,0,0,0|1,0,0]=1 12 B10R0.23 CCCC(NC(=O)N)C(=O)O MCULE-3451078854 [0,0,0,0,0,0|2,0,0]=2 13 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)O MCULE-7396030806 [0,0,0,0,0,0|1,0,0]=1 14 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)O MCULE-7424603595 [0,0,0,0,0,0|1,0,0]=1 15 B10R0.23 CCC[C@@H](NC(=O)N)C(=O)O MCULE-4836272670 [0,0,0,0,0,0|2,0,0]=2 16 B10R0.23 CCC[C@H](NC(=O)C)C(=O)O MCULE-2905526129 [0,0,0,0,0,0|1,0,0]=1 17 B10R0.23 CCC[C@H](NC(=O)C)C(=O)O MCULE-6395010914 [0,0,0,0,0,0|1,0,0]=1 18 B10R0.23 CNCC(NC(=O)C)C(=O)O MCULE-4047191308 [0,0,0,0,0,0|2,0,0]=2 19 B10R0.23 CNC[C@H](NC(=O)C)C(=O)O MCULE-3833734431 [0,0,0,0,0,0|2,0,0]=2 20 B10R0.23 COCC(CC(=O)O)C(=O)O MCULE-7211279043 [0,0,0,0,0,0|2,0,0]=2 21 B10R0.23 COCC(NC(=O)C)C(=O)O MCULE-9763122983 [0,0,0,0,0,0|2,0,0]=2 22 B10R0.23 COC[C@@H](NC(=O)C)C(=O)O MCULE-2239598357 [0,0,0,0,0,0|2,0,0]=2 23 B10R0.23 COC[C@@H](NC(=O)C)C(=O)O MCULE-4278788977 [0,0,0,0,0,0|2,0,0]=2 24 B10R0.23 COC[C@H](NC(=O)C)C(=O)O MCULE-5146213386 [0,0,0,0,0,0|2,0,0]=2 25 B10R0.23 CSCC(NC(=O)C)C(=O)O MCULE-8059509909 [0,0,0,0,0,0|2,0,0]=2 26 B10R0.23 CSC[C@H](NC(=O)C)C(=O)O MCULE-1058369746 [0,0,0,0,0,0|2,0,0]=2 27 B10R0.23 O=CNC(CC(=O)O)C(=O)O MCULE-1319737382 [0,0,0,0,0,0|3,0,1]=4 28 B9R0.14 C=CC(CCC)CC(=O)O MCULE-7907267151 [1,0,0,0,0,0|2,0,0]=3 29 B9R0.14 CCCC(CC)CC(=O)O MCULE-7716353443 [1,0,0,0,0,0|2,0,1]=4 30 B9R0.14 CCCC(CC)OC(=O)C MCULE-8250494331 [1,0,0,0,0,0|2,0,1]=4 31 B9R0.15 C=CCC(CC=C)C(=O)O MCULE-7388411599 [1,0,0,0,0,0|0,0,3]=4 32 B9R0.15 C=CCC(CCC)C(=O)O MCULE-5379398676 [1,0,0,0,0,0|0,0,1]=2 33 B9R0.15 CCC=C(CCC)C(=O)O MCULE-6379126755 [1,0,0,0,0,0|0,0,3]=4 34 B9R0.15 CCCC(CCC)C(=O)C MCULE-3853377484 [1,0,0,0,0,0|1,0,1]=3 35 B9R0.15 CCCC(CCC)C(=O)Cl MCULE-4979211332 [1,0,0,0,0,0|1,0,1]=3 36 B9R0.15 CCCC(CCC)C(=O)N MCULE-7316825141 [1,0,0,0,0,0|1,0,1]=3 37 B9R0.15 CCCC(CCC)C(=O)O MCULE-7136317196 [1,0,0,0,0,0|0,0,1]=2 38 B9R0.15 CCCC(CCC)C(=O)[O-] MCULE-4799083200 [1,0,0,0,0,0|0,0,2]=3 39 B9R0.15 CCCC(NC=O)C(=O)O MCULE-7516123408 [1,0,0,0,0,0|1,0,0]=2 40 B9R0.15 CCCC(OCC)C(=O)O MCULE-7197686501 [1,0,0,0,0,0|1,0,1]=3 41 B9R0.15 CCCC(SCC)C(=O)[O-] MCULE-3750013296 [1,0,0,0,0,0|1,0,2]=4 42 B9R0.15 CCCC(SCC)C(=O)[O-] MCULE-5882369366 [1,0,0,0,0,0|1,0,2]=4 43 B9R0.15 CCCN(CCC)C(=O)C MCULE-3393111489 [1,0,0,0,0,0|2,0,1]=4 44 B9R0.15 CCCN(CCC)C(=O)Cl MCULE-6057450753 [1,0,0,0,0,0|2,0,1]=4 45 B9R0.15 CCOC(OCC)C(=O)O MCULE-9319913793 [1,0,0,0,0,0|2,0,1]=4 46 B9R0.15 COCC(COC)C(=O)O MCULE-6082875325 [1,0,0,0,0,0|2,0,0]=3 47 B9R0.15 NCCC(CCN)C(=O)O MCULE-3747615668 [1,0,0,0,0,0|2,0,1]=4 48 B9R0.15 NCCC(CCN)C(=O)O MCULE-8055618051 [1,0,0,0,0,0|2,0,1]=4 49 B9R0.39 CC(=O)NC(CO)C(=O)O MCULE-1309560741 [1,0,0,0,0,0|2,0,0]=3 50 B9R0.39 CC(=O)NC(CS)C(=O)N MCULE-2256527758 [1,0,0,0,0,0|3,0,0]=4 51 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-6378320219 [1,0,0,0,0,0|2,0,0]=3 52 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-8740981134 [1,0,0,0,0,0|2,0,0]=3 53 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-1874809708 [1,0,0,0,0,0|2,0,0]=3 54 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-6388016375 [1,0,0,0,0,0|2,0,0]=3 55 B9R0.39 CC(=O)N[C@@H](CS)C(=O)N MCULE-1208846063 [1,0,0,0,0,0|3,0,0]=4 56 B9R0.39 CC(=O)N[C@@H](CS)C(=O)N MCULE-2389070545 [1,0,0,0,0,0|3,0,0]=4 57 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-3293270590 [1,0,0,0,0,0|2,0,0]=3 58 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-8632971295 [1,0,0,0,0,0|2,0,0]=3 59 B9R0.39 CC(=O)N[C@H](CO)C(=O)O MCULE-3723348697 [1,0,0,0,0,0|2,0,0]=3 60 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-2338539483 [1,0,0,0,0,0|2,0,0]=3 61 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-7287452762 [1,0,0,0,0,0|2,0,0]=3 62 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-3679366313 [1,0,0,0,0,0|2,0,1]=4 63 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-4357118038 [1,0,0,0,0,0|2,0,1]=4 64 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-5464779902 [1,0,0,0,0,0|2,0,1]=4 65 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-1199418849 [1,0,0,0,0,0|2,0,1]=4 66 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-2007636867 [1,0,0,0,0,0|2,0,1]=4 67 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-3151357434 [1,0,0,0,0,0|2,0,1]=4 68 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-6826376648 [1,0,0,0,0,0|2,0,1]=4 69 B9R0.39 CC(C)C[C@@H](CO)C(=O)O MCULE-8614733501 [1,0,0,0,0,0|2,0,1]=4 70 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-1897946062 [1,0,0,0,0,0|2,0,1]=4 71 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5204739284 [1,0,0,0,0,0|2,0,1]=4 72 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5587093761 [1,0,0,0,0,0|2,0,1]=4 73 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-6247275234 [1,0,0,0,0,0|2,0,1]=4 74 B9R0.39 CC(C)C[C@H](CO)C(=O)O MCULE-3078607450 [1,0,0,0,0,0|2,0,1]=4 75 B9R0.39 CC=C(CC(=O)O)C(=O)O MCULE-9255608800 [1,0,0,0,0,0|1,0,2]=4 76 B9R0.39 CCC(CC(=O)Cl)C(=O)Cl MCULE-4134104716 [1,0,0,0,0,0|2,0,0]=3 77 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [1,0,0,0,0,0|1,0,0]=2 78 B9R0.39 CCC(CC(C)C)C(=O)O MCULE-5215518236 [1,0,0,0,0,0|1,0,1]=3 79 B9R0.39 CCC(CC(F)F)C(=O)O MCULE-2440123997 [1,0,0,0,0,0|2,0,1]=4 80 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-1309294109 [1,0,0,0,0,0|1,0,0]=2 81 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-9698129539 [1,0,0,0,0,0|1,0,0]=2 82 B9R0.39 CCC(NC(=O)N)C(=O)O MCULE-1973871135 [1,0,0,0,0,0|2,0,0]=3 83 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7235932783 [1,0,0,0,0,0|2,0,1]=4 84 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7934342287 [1,0,0,0,0,0|2,0,1]=4 85 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-4606830483 [1,0,0,0,0,0|1,0,0]=2 86 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-7396715663 [1,0,0,0,0,0|1,0,0]=2 87 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [1,0,0,0,0,0|2,0,0]=3 88 B9R0.39 CNC(CC(C)C)C(=O)O MCULE-4940999271 [1,0,0,0,0,0|2,0,1]=4 89 B9R0.39 CNC(CC(C)C)C(=O)O MCULE-7266045564 [1,0,0,0,0,0|2,0,1]=4 90 B9R0.39 CN[C@@H](CC(=O)N)C(=O)O MCULE-2449462396 [1,0,0,0,0,0|2,0,0]=3 91 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [1,0,0,0,0,0|2,0,0]=3 92 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [1,0,0,0,0,0|2,0,0]=3 93 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [1,0,0,0,0,0|2,0,0]=3 94 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-2758691344 [1,0,0,0,0,0|2,0,1]=4 95 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-3349649810 [1,0,0,0,0,0|2,0,1]=4 96 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-4487326533 [1,0,0,0,0,0|2,0,1]=4 97 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-7740057854 [1,0,0,0,0,0|2,0,1]=4 98 B9R0.39 CN[C@H](CC(=O)N)C(=O)O MCULE-2092394249 [1,0,0,0,0,0|2,0,0]=3 99 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [1,0,0,0,0,0|2,0,0]=3 100 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [1,0,0,0,0,0|2,0,0]=3 101 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [1,0,0,0,0,0|2,0,0]=3 102 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2279011654 [1,0,0,0,0,0|2,0,1]=4 103 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2290136385 [1,0,0,0,0,0|2,0,1]=4 104 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2552934491 [1,0,0,0,0,0|2,0,1]=4 105 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-8319051174 [1,0,0,0,0,0|2,0,1]=4 106 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [1,0,0,0,0,0|2,0,0]=3 107 B9R0.39 COC(CC(C)C)C(=O)O MCULE-4497994493 [1,0,0,0,0,0|2,0,1]=4 108 B9R0.39 NC(=O)NC(CO)C(=O)O MCULE-8322024012 [1,0,0,0,0,0|3,0,0]=4 109 B9R0.39 NC(=O)NC(CS)C(=O)O MCULE-3558033323 [1,0,0,0,0,0|3,0,0]=4 110 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O MCULE-9735857877 [1,0,0,0,0,0|3,0,0]=4 111 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [1,0,0,0,0,0|2,0,0]=3 112 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [1,0,0,0,0,0|2,0,0]=3 113 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [1,0,0,0,0,0|3,0,0]=4 114 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [1,0,0,0,0,0|2,0,0]=3 115 B11R0.32 C(CC(C)C)(NC(=O)C)C(=O)N MCULE-8777964324 [0,1,0,0,0,0|2,0,0]=3 116 B11R0.32 C=C(C)CC(NC(=O)C)C(=O)O MCULE-7639004071 [0,1,0,0,0,0|1,0,1]=3 117 B11R0.32 C=C(C)C[C@H](NC(=O)C)C(=O)O MCULE-8601164722 [0,1,0,0,0,0|1,0,1]=3 118 B11R0.32 C=C(C)C[C@H](NC(=O)C)C(=O)O MCULE-8880296601 [0,1,0,0,0,0|1,0,1]=3 119 B11R0.32 CC(=O)C(CC(C)C)CN(C)C MCULE-2100881066 [0,1,0,0,0,0|3,0,0]=4 120 B11R0.32 CC(=O)NC(CC(=O)N)C(=O)O MCULE-4878635005 [0,1,0,0,0,0|2,0,1]=4 121 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O MCULE-8912395007 [0,1,0,0,0,0|2,0,1]=4 122 B11R0.32 CC(=O)NC(CC(C)C)C(=O)O MCULE-7375828849 [0,1,0,0,0,0|1,0,0]=2 123 B11R0.32 CC(=O)NC(CC(C)C)C(=O)O MCULE-8541961335 [0,1,0,0,0,0|1,0,0]=2 124 B11R0.32 CC(=O)N[C@@H](CC(=O)N)C(=O)O MCULE-4594531393 [0,1,0,0,0,0|2,0,1]=4 125 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-2346017798 [0,1,0,0,0,0|2,0,1]=4 126 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-5208660790 [0,1,0,0,0,0|2,0,1]=4 127 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N MCULE-4463344668 [0,1,0,0,0,0|2,0,0]=3 128 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N MCULE-7246349713 [0,1,0,0,0,0|2,0,0]=3 129 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)O MCULE-3541053611 [0,1,0,0,0,0|1,0,0]=2 130 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)O MCULE-9082534218 [0,1,0,0,0,0|1,0,0]=2 131 B11R0.32 CC(=O)N[C@H](CC(=O)N)C(=O)O MCULE-2258546008 [0,1,0,0,0,0|2,0,1]=4 132 B11R0.32 CC(=O)N[C@H](CC(=O)N)C(=O)O MCULE-5563097482 [0,1,0,0,0,0|2,0,1]=4 133 B11R0.32 CC(=O)N[C@H](CC(C)C)C(=O)O MCULE-8998784853 [0,1,0,0,0,0|1,0,0]=2 134 B11R0.32 CC(=O)S[C@@H](CC(C)C)C(=O)O MCULE-8202562834 [0,1,0,0,0,0|1,0,0]=2 135 B11R0.32 CC(C)CC(CC(=O)O)C(=O)O MCULE-4610463681 [0,1,0,0,0,0|1,0,0]=2 136 B11R0.32 CC(C)CC(CC(C)C)C(=O)O MCULE-8986413010 [0,1,0,0,0,0|1,0,1]=3 137 B11R0.32 CC(C)CC(NC(=O)N)C(=O)O MCULE-3278114292 [0,1,0,0,0,0|2,0,0]=3 138 B11R0.32 CC(C)C[C@H](NC(=O)N)C(=O)O MCULE-3333503554 [0,1,0,0,0,0|2,0,0]=3 139 B11R0.32 CC(C)C[C@H](NC(C)C)C(=O)O MCULE-8416697546 [0,1,0,0,0,0|2,0,1]=4 140 B11R0.32 O=C(O)CC(CC(=O)O)C(=O)O MCULE-6198986604 [0,1,0,0,0,0|2,0,1]=4 141 B11R0.32 [C@@H](CC(=O)N)(NC(=O)C)C(=O)O MCULE-3763271453 [0,1,0,0,0,0|2,0,1]=4 142 B11R0.32 [C@H](CC(C)C)(NC(=O)C)C(=O)O MCULE-9509726558 [0,1,0,0,0,0|1,0,0]=2 143 B11R0.39 COC(=O)C(CCBr)OC(=O)C MCULE-9434144963 [0,1,0,0,0,0|2,0,0]=3 144 B11R0.39 COC(=O)C(CCBr)SC(=O)C MCULE-8807713531 [0,1,0,0,0,0|2,0,0]=3 145 B11R0.115 CCC(C)C(NC(=O)C)C(=O)N MCULE-3436837406 [0,1,0,0,0,0|2,0,0]=3 146 B11R0.115 CCC(C)C(NC(=O)C)C(=O)O MCULE-4181667774 [0,1,0,0,0,0|1,0,0]=2 147 B11R0.115 CC[C@H](C)[C@@H](NC(=O)C)C(=O)O MCULE-5204918668 [0,1,0,0,0,0|1,0,0]=2 148 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N MCULE-3623918080 [0,1,0,0,0,0|2,0,0]=3 149 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N MCULE-5822222988 [0,1,0,0,0,0|2,0,0]=3 150 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O MCULE-1874701839 [0,1,0,0,0,0|1,0,0]=2 151 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O MCULE-2741794137 [0,1,0,0,0,0|1,0,0]=2 152 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O MCULE-6557323131 [0,1,0,0,0,0|1,0,0]=2 153 B11R0.115 [C@@H](C)(CC)[C@@H](NC(=O)C)C(=O)O MCULE-5237529088 [0,1,0,0,0,0|1,0,0]=2 154 B11R0.115 [C@@H](NC(=O)C)(C(=O)O)C(C)CC MCULE-8702697039 [0,1,0,0,0,0|1,0,0]=2 155 B11R0.115 [C@@H](NC(=O)N)(C(=O)O)C(C)CC MCULE-3282905656 [0,1,0,0,0,0|2,0,0]=3 156 B11R0.115 [C@H](C)(CC)[C@@H](NC(=O)C)C(=O)O MCULE-2360572915 [0,1,0,0,0,0|1,0,0]=2 157 B11R0.160 C=CCCC(CC(C)C)C(=O)O MCULE-5690484976 [0,1,0,0,0,0|1,0,2]=4 158 B11R0.160 C=CCNC(CC(=O)O)C(=O)O MCULE-9012180055 [0,1,0,0,0,0|1,0,2]=4 159 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O MCULE-1427956391 [0,1,0,0,0,0|1,0,0]=2 160 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O MCULE-1647417475 [0,1,0,0,0,0|1,0,0]=2 161 B11R0.160 CC(=O)N[C@@H](CSN=O)C(=O)O MCULE-4397408409 [0,1,0,0,0,0|3,0,0]=4 162 B11R0.160 CCCCC(CC(=O)O)C(=O)O MCULE-6663725829 [0,1,0,0,0,0|1,0,0]=2 163 B11R0.160 CCCCC(NC(=O)C)C(=O)C MCULE-9516659128 [0,1,0,0,0,0|2,0,0]=3 164 B11R0.160 CCCCC(NC(=O)C)C(=O)O MCULE-1796227277 [0,1,0,0,0,0|1,0,0]=2 165 B11R0.160 CCCCC(NC(=O)C)C(=O)O MCULE-2709462387 [0,1,0,0,0,0|1,0,0]=2 166 B11R0.160 CCCCC(NC(=O)N)C(=O)O MCULE-2177545582 [0,1,0,0,0,0|2,0,0]=3 167 B11R0.160 CCCC[C@@H](NC(=O)C)C(=O)O MCULE-5788818981 [0,1,0,0,0,0|1,0,0]=2 168 B11R0.160 CCCC[C@@H](NC(=O)C)C(=O)O MCULE-8915739057 [0,1,0,0,0,0|1,0,0]=2 169 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)O MCULE-3651693998 [0,1,0,0,0,0|1,0,0]=2 170 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)O MCULE-4560203101 [0,1,0,0,0,0|1,0,0]=2 171 B11R0.160 CCSCC(NC(=O)C)C(=O)O MCULE-9115578925 [0,1,0,0,0,0|1,0,0]=2 172 B11R0.160 CCSC[C@H](NC(=O)C)C(=O)O MCULE-5694706376 [0,1,0,0,0,0|1,0,0]=2 173 B11R0.160 COCCC(NC(=O)C)C(=O)O MCULE-9296272594 [0,1,0,0,0,0|1,0,0]=2 174 B11R0.160 CSCCC(NC(=O)C)C(=O)N MCULE-1955833225 [0,1,0,0,0,0|2,0,0]=3 175 B11R0.160 CSCCC(NC(=O)C)C(=O)O MCULE-6118079123 [0,1,0,0,0,0|1,0,0]=2 176 B11R0.160 CSCCC(NC(=O)N)C(=O)N MCULE-9253477279 [0,1,0,0,0,0|3,0,0]=4 177 B11R0.160 CSCCC(NC(=O)N)C(=O)O MCULE-8995512478 [0,1,0,0,0,0|2,0,0]=3 178 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)O MCULE-3164935915 [0,1,0,0,0,0|1,0,0]=2 179 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)O MCULE-9459431743 [0,1,0,0,0,0|1,0,0]=2 180 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N MCULE-3483850242 [0,1,0,0,0,0|2,0,0]=3 181 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N MCULE-9538917660 [0,1,0,0,0,0|2,0,0]=3 182 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)O MCULE-8710138272 [0,1,0,0,0,0|1,0,0]=2 183 B11R0.160 CSCC[C@H](NC(=O)N)C(=O)O MCULE-5006828039 [0,1,0,0,0,0|2,0,0]=3 184 B11R0.160 O=C(O)CC(NCCO)C(=O)O MCULE-9792724168 [0,1,0,0,0,0|2,0,0]=3 185 B11R0.160 [C@@H](CCSC)(NC(=O)C)C(=O)O MCULE-5012891970 [0,1,0,0,0,0|1,0,0]=2 186 B11R0.236 C=CCC(NC(=O)OC)C(=O)O MCULE-2603702971 [0,1,0,0,0,0|1,0,2]=4 187 B11R0.236 C=CC[C@H](NC(=O)OC)C(=O)O MCULE-2015140127 [0,1,0,0,0,0|1,0,2]=4 188 B11R0.236 C=CC[C@H](NC(=O)OC)C(=O)O MCULE-3332528356 [0,1,0,0,0,0|1,0,2]=4 189 B11R0.236 CCCC(NC(=O)CCl)C(=O)O MCULE-4178827028 [0,1,0,0,0,0|1,0,0]=2 190 B11R0.236 CCCC(NC(=O)CN)C(=O)O MCULE-3680152818 [0,1,0,0,0,0|1,0,0]=2 191 B11R0.236 CCC[C@H](NC(=O)CCl)C(=O)O MCULE-2223443521 [0,1,0,0,0,0|1,0,0]=2 192 B11R1.74 CC(=O)C1CC(CC(C1)C)C MCULE-3304279258 [0,0,0,1,0,0|2,0,1]=4 193 B11R1.74 CC1CC(CC(C1)C(=O)O)C MCULE-4414065035 [0,0,0,1,0,0|1,0,1]=3 194 B11R1.74 CC1CC(CC(O1)C)C(=O)O MCULE-8718069513 [0,0,0,1,0,0|0,0,2]=3 195 B11R1.74 CC1CC(NC(=S)N1)C(=O)O MCULE-6244565305 [0,0,0,1,0,0|2,1,0]=4 196 B11R1.74 CC1CN(CC(O1)C(=O)O)C MCULE-1120383485 [0,0,0,1,0,0|3,0,0]=4 197 B11R1.74 CC1CN(CC(O1)C(=O)O)C MCULE-4331152110 [0,0,0,1,0,0|3,0,0]=4 198 B11R1.74 C[C@@H]1CC(C[C@@H](C1)C)C(=O)O MCULE-8476320504 [0,0,0,1,0,0|1,0,1]=3 199 B11R1.74 C[C@@H]1C[C@@H](C[C@@H](C1)C)C(=O)O MCULE-7313940085 [0,0,0,1,0,0|1,0,1]=3 200 B11R1.74 C[C@@H]1C[C@H](NC(=S)N1)C(=O)O MCULE-3527131237 [0,0,0,1,0,0|2,1,0]=4 201 B11R1.74 C[C@@H]1C[C@H](NC(=S)N1)C(=O)O MCULE-5042056278 [0,0,0,1,0,0|2,1,0]=4 202 B11R1.74 C[C@H]1CC(C[C@H](N1)C)C(=O)O MCULE-2237943409 [0,0,0,1,0,0|1,0,1]=3 203 B11R1.74 C[C@H]1CC(C[C@H](N1)C)C(=O)O MCULE-4813276637 [0,0,0,1,0,0|1,0,1]=3 204 B11R1.74 C[C@H]1CC(C[C@H](O1)C)C(=O)O MCULE-3337799083 [0,0,0,1,0,0|0,0,2]=3 205 B11R1.74 O=C1CC(=O)CC(C1)C(=O)Cl MCULE-5961631621 [0,0,0,1,0,0|2,0,1]=4 206 B11R1.74 O=C1CC(=O)CC(C1)C(=O)O MCULE-2619134082 [0,0,0,1,0,0|1,0,1]=3 207 B11R1.74 O=C1CC(CC(=O)N1)C(=O)O MCULE-5623787674 [0,0,0,1,0,0|2,0,1]=4 208 B11R1.86 C=C(C)CC1CNCCC1=O MCULE-4437507341 [0,0,0,1,0,0|3,0,0]=4 209 B11R1.86 C=C(C)CC1NCCCC1=O MCULE-1631539297 [0,0,0,1,0,0|3,0,0]=4 210 B11R1.86 C=C1CCCCC1OC(=O)C MCULE-7569773898 [0,0,0,1,0,0|3,0,0]=4 211 B11R1.86 CC(=O)CC1CCCCC1=O MCULE-3575915774 [0,0,0,1,0,0|1,0,0]=2 212 B11R1.86 CC(=O)CC1CCCCN1C MCULE-7888596089 [0,0,0,1,0,0|3,0,0]=4 213 B11R1.86 CC(=O)C[C@H]1CCCCN1C MCULE-2452733660 [0,0,0,1,0,0|3,0,0]=4 214 B11R1.86 CN(C)CC1CCCCC1=O MCULE-2290738401 [0,0,0,1,0,0|3,0,0]=4 215 B11R1.86 C[NH+](C)CC1CCCCC1=O MCULE-7035082192 [0,0,0,1,0,0|3,0,0]=4 216 B11R1.86 NC(=O)CC1CCCCC1=O MCULE-3971347881 [0,0,0,1,0,0|2,0,0]=3 217 B11R1.86 NC(=O)CN1CCCCC1=O MCULE-5240363696 [0,0,0,1,0,0|3,0,0]=4 218 B11R1.86 O=C(Cl)CC1CCCCC1=O MCULE-8631703568 [0,0,0,1,0,0|2,0,0]=3 219 B11R1.86 O=C(Cl)CN1CCCCC1=O MCULE-8291995808 [0,0,0,1,0,0|3,0,0]=4 220 B11R1.86 O=C(O)CC1CCCCC1=O MCULE-2872066455 [0,0,0,1,0,0|2,0,0]=3 221 B11R1.86 O=C(O)CC1NCCNC1=O MCULE-1560589781 [0,0,0,1,0,0|3,0,0]=4 222 B11R1.86 O=C(O)CC1NCCNC1=O MCULE-2096818355 [0,0,0,1,0,0|3,0,0]=4 223 B11R1.86 O=C(O)CC1SCCNC1=O MCULE-5075946904 [0,0,0,1,0,0|3,0,0]=4 224 B11R1.86 O=C(O)CN1CCCCC1=O MCULE-6673893259 [0,0,0,1,0,0|3,0,0]=4 225 B11R1.86 O=C(O)CN1CCCNC1=O MCULE-6462088384 [0,0,0,1,0,0|3,0,0]=4 226 B11R1.86 O=C(O)CN1CCCOC1=O MCULE-2943592143 [0,0,0,1,0,0|2,0,0]=3 227 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1O MCULE-4350134748 [0,0,0,1,0,0|2,0,1]=4 228 B11R1.86 O=C(O)C[C@H]1CCCC[C@@H]1O MCULE-6436496571 [0,0,0,1,0,0|2,0,1]=4 229 B11R1.178 CC(=O)N1CCCC1B(O)O MCULE-9036310065 [0,0,0,1,0,0|2,0,1]=4 230 B11R1.178 CC(=O)N1CCCC1C(=O)N MCULE-3826239589 [0,0,0,1,0,0|2,0,0]=3 231 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-1813411528 [0,0,0,1,0,0|1,0,0]=2 232 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-9022800854 [0,0,0,1,0,0|1,0,0]=2 233 B11R1.178 CC(=O)N1CCCC1C(=S)N MCULE-4542195039 [0,0,0,1,0,0|2,1,0]=4 234 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-1405603447 [0,0,0,1,0,0|1,0,0]=2 235 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-9216589773 [0,0,0,1,0,0|1,0,0]=2 236 B11R1.178 CC(=O)N1CCC[C@H]1C(=N)N MCULE-1919864106 [0,0,0,1,0,0|3,0,0]=4 237 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N MCULE-2667654412 [0,0,0,1,0,0|2,0,0]=3 238 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N MCULE-3510789923 [0,0,0,1,0,0|2,0,0]=3 239 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-1169221802 [0,0,0,1,0,0|1,0,0]=2 240 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-9915147289 [0,0,0,1,0,0|1,0,0]=2 241 B11R1.178 CC(=O)N1CCS[C@H]1C(=O)O MCULE-1643107830 [0,0,0,1,0,0|2,0,0]=3 242 B11R1.178 CC(=O)N1CSCC1C(=O)O MCULE-6153628068 [0,0,0,1,0,0|2,0,0]=3 243 B11R1.178 CC(=O)N1CSCC1C(=O)O MCULE-9095175540 [0,0,0,1,0,0|2,0,0]=3 244 B11R1.178 CC(=O)N1CSC[C@@H]1C(=O)O MCULE-5248938328 [0,0,0,1,0,0|2,0,0]=3 245 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O MCULE-4068934366 [0,0,0,1,0,0|2,0,0]=3 246 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O MCULE-8624310818 [0,0,0,1,0,0|2,0,0]=3 247 B11R1.178 CC(C)C1CNCC1C(=O)O MCULE-5419643735 [0,0,0,1,0,0|2,0,1]=4 248 B11R1.178 CC(C)C1CNCC1C(=O)O MCULE-7569761775 [0,0,0,1,0,0|2,0,1]=4 249 B11R1.178 CC(C)C1NCCC1C(=O)O MCULE-6302830859 [0,0,0,1,0,0|2,0,1]=4 250 B11R1.178 CC(C)C1NCCC1C(=O)O MCULE-8242793194 [0,0,0,1,0,0|2,0,1]=4 251 B11R1.178 CC(C)N1CCCC1C(=O)O MCULE-2119413242 [0,0,0,1,0,0|2,0,1]=4 252 B11R1.178 CC(C)N1CCCC1C(=O)O MCULE-6929026583 [0,0,0,1,0,0|2,0,1]=4 253 B11R1.178 CC(C)N1CCC[C@@H]1C(=O)O MCULE-8319338511 [0,0,0,1,0,0|2,0,1]=4 254 B11R1.178 CC(C)N1CCC[C@@H]1C(=O)O MCULE-8583036106 [0,0,0,1,0,0|2,0,1]=4 255 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O MCULE-7602604909 [0,0,0,1,0,0|2,0,1]=4 256 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O MCULE-9348214683 [0,0,0,1,0,0|2,0,1]=4 257 B11R1.178 CC(C)[C@H]1CNC[C@@H]1C(=O)O MCULE-1469912477 [0,0,0,1,0,0|2,0,1]=4 258 B11R1.178 CC(C)[C@H]1CNC[C@@H]1C(=O)O MCULE-2313554686 [0,0,0,1,0,0|2,0,1]=4 259 B11R1.178 CC(C)[C@H]1CNC[C@@H]1C(=O)O MCULE-7557854435 [0,0,0,1,0,0|2,0,1]=4 260 B11R1.178 CC(C)[C@H]1CNC[C@@H]1C(=O)O MCULE-8561355438 [0,0,0,1,0,0|2,0,1]=4 261 B11R1.178 CC(C)[C@H]1CNC[C@@H]1C(=O)O MCULE-9451071180 [0,0,0,1,0,0|2,0,1]=4 262 B11R1.178 N=C(N)N1CCCC1C(=O)O MCULE-4919079296 [0,0,0,1,0,0|3,0,0]=4 263 B11R1.178 NC(=O)C1CCCC1C(=O)N MCULE-4017914562 [0,0,0,1,0,0|2,0,0]=3 264 B11R1.178 NC(=O)N1CCCC1C(=O)O MCULE-2099814008 [0,0,0,1,0,0|2,0,0]=3 265 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-1581234645 [0,0,0,1,0,0|2,0,0]=3 266 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-2695707693 [0,0,0,1,0,0|2,0,0]=3 267 B11R1.178 NC(=S)N1CCCC1C(=O)O MCULE-7138642484 [0,0,0,1,0,0|2,1,0]=4 268 B11R1.178 O=C(O)C1=C(CCC1)C(=O)O MCULE-7488890401 [0,0,0,1,0,0|1,0,2]=4 269 B11R1.178 O=C(O)C1CCCC1C(=O)O MCULE-1370613174 [0,0,0,1,0,0|1,0,0]=2 270 B11R1.178 O=C(O)C1CCNC1C(=O)O MCULE-2316581520 [0,0,0,1,0,0|2,0,0]=3 271 B11R1.178 O=C(O)C1CCNC1C(=O)O MCULE-9331741117 [0,0,0,1,0,0|2,0,0]=3 272 B11R1.178 O=C(O)C1COCC1C(=O)O MCULE-4469020347 [0,0,0,1,0,0|2,0,0]=3 273 B11R1.178 O=C(O)[C@@H]1CCCN1C(=O)O MCULE-1970767326 [0,0,0,1,0,0|2,0,0]=3 274 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-5772739452 [0,0,0,1,0,0|1,0,0]=2 275 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-6923663809 [0,0,0,1,0,0|1,0,0]=2 276 B11R1.178 O=C(O)[C@@H]1CNC[C@@H]1C(=O)O MCULE-7094844570 [0,0,0,1,0,0|2,0,0]=3 277 B11R1.178 O=C(O)[C@@H]1COC[C@@H]1C(=O)O MCULE-2959853524 [0,0,0,1,0,0|2,0,0]=3 278 B11R1.178 O=C(O)[C@@H]1COC[C@H]1C(=O)O MCULE-9190757159 [0,0,0,1,0,0|2,0,0]=3 279 B11R1.178 O=C(O)[C@H]1CCC[C@H]1C(=O)O MCULE-2898188373 [0,0,0,1,0,0|1,0,0]=2 280 B11R1.178 O=C(O)[C@H]1COC[C@@H]1C(=O)O MCULE-4154653911 [0,0,0,1,0,0|2,0,0]=3 281 B11R1.178 O=C(O)[C@H]1COC[C@@H]1C(=O)O MCULE-5321587208 [0,0,0,1,0,0|2,0,0]=3 282 B11R1.182 CCCC1CN(CCC1=O)C MCULE-2190429302 [0,0,0,1,0,0|3,0,0]=4 283 B11R1.234 O=C(O)CC1CCCS1(=O)=O MCULE-9153779974 [0,0,0,1,0,0|2,0,1]=4 284 B11R1.497 CC(=O)C1CCCCC(=O)C1 MCULE-8090726810 [0,0,0,1,0,0|1,0,0]=2 285 B11R1.497 NC(=O)C1CSCCC(=O)N1 MCULE-9167752507 [0,0,0,1,0,0|3,0,0]=4 286 B11R1.497 NC1CCCCC(C1)C(=O)O MCULE-6764464855 [0,0,0,1,0,0|1,0,1]=3 287 B11R1.497 O=C(O)C1CCCCC(C1)O MCULE-8775414897 [0,0,0,1,0,0|0,0,2]=3 288 B11R1.497 O=C1CCCCC(C1)C(=O)O MCULE-7646723801 [0,0,0,1,0,0|0,0,0]=1 289 B11R1.497 O=C1CCCCC(N1)C(=O)O MCULE-3462654668 [0,0,0,1,0,0|1,0,0]=2 290 B11R1.497 O=C1CCSCC(N1)C(=O)O MCULE-1237852498 [0,0,0,1,0,0|2,0,0]=3 291 B11R1.596 CCCN1C(=O)CC1C(=O)O MCULE-3045055027 [0,0,0,1,0,0|3,0,0]=4 292 B11R1.645 C=C(C)CC1CC(=O)OC1=O MCULE-7614468328 [0,0,0,1,0,0|2,0,1]=4 293 B11R1.645 CC(=O)CN1N=C(OC1=O)C MCULE-1702003401 [0,0,0,1,0,0|2,0,1]=4 294 B11R1.645 CC(=O)NC1CC(=O)OC1=O MCULE-4921755901 [0,0,0,1,0,0|2,0,1]=4 295 B11R1.645 CC(=O)OC1CC(=O)OC1=O MCULE-3977106754 [0,0,0,1,0,0|2,0,1]=4 296 B11R1.645 CC(=O)OC1CC(=O)OC1=O MCULE-6469987872 [0,0,0,1,0,0|2,0,1]=4 297 B11R1.645 CC(=O)O[C@@H]1CC(=O)OC1=O MCULE-3381101532 [0,0,0,1,0,0|2,0,1]=4 298 B11R1.645 CC(=O)O[C@@H]1CC(=O)OC1=O MCULE-5641729076 [0,0,0,1,0,0|2,0,1]=4 299 B11R1.645 CC(=O)O[C@H]1CC(=O)OC1=O MCULE-3939996054 [0,0,0,1,0,0|2,0,1]=4 300 B11R1.645 CC(=O)O[C@H]1CC(=O)OC1=O MCULE-6712017856 [0,0,0,1,0,0|2,0,1]=4 301 B11R1.645 CC(=O)SC1CC(=O)OC1=O MCULE-5304574969 [0,0,0,1,0,0|2,0,1]=4 302 B11R1.645 CC(=O)S[C@H]1CC(=O)OC1=O MCULE-9041670777 [0,0,0,1,0,0|2,0,1]=4 303 B11R1.645 CC(O)CN1CC(OC1=O)C MCULE-2947492543 [0,0,0,1,0,0|1,0,2]=4 304 B11R1.645 O=C(O)CC1CC(=O)OC1=O MCULE-5201948185 [0,0,0,1,0,0|2,0,1]=4 305 B11R1.730 CC1(CC(CCN1)C(=O)O)C MCULE-8159392480 [0,0,0,1,0,0|2,0,1]=4 306 B11R1.730 CC1(CC(CCO1)C(=O)O)C MCULE-5978480117 [0,0,0,1,0,0|2,0,1]=4 307 B11R1.730 CC1(CCCC(C1)C(=O)O)C MCULE-1597122526 [0,0,0,1,0,0|1,0,1]=3 308 B11R1.730 CC1(CCCC(O1)C(=O)O)C MCULE-6134883479 [0,0,0,1,0,0|2,0,1]=4 309 B11R1.730 CC1(CCNC(C1)C(=O)O)C MCULE-1186852121 [0,0,0,1,0,0|2,0,1]=4 310 B11R1.730 CC1(CCNC(C1)C(=O)O)C MCULE-5031883785 [0,0,0,1,0,0|2,0,1]=4 311 B11R1.730 O=C(O)C1CCCC(C1)(F)F MCULE-2685730195 [0,0,0,1,0,0|2,0,1]=4 312 B11R1.730 O=C(O)C1CCCS(=O)(=O)C1 MCULE-2941931058 [0,0,0,1,0,0|2,0,0]=3 313 B11R1.730 O=C(O)C1CS(=O)(=O)CCN1 MCULE-5588278992 [0,0,0,1,0,0|3,0,0]=4 314 B11R1.730 O=C(O)C1CS(=O)(=O)CCN1 MCULE-6421455090 [0,0,0,1,0,0|3,0,0]=4 315 B11R1.929 C=C(F)C1(CCC1)CC(=O)O MCULE-8910010999 [0,0,0,1,0,0|3,0,0]=4 316 B11R1.929 CC(=O)CC1(CCC1)C(=O)O MCULE-7740494752 [0,0,0,1,0,0|0,0,0]=1 317 B11R1.929 CC(=O)NC1(CCC1)C(=O)O MCULE-6384958791 [0,0,0,1,0,0|1,0,0]=2 318 B11R1.929 CC(C)CC1(CCC1)C(=O)O MCULE-3957124047 [0,0,0,1,0,0|1,0,1]=3 319 B11R1.929 CC(C)CC1(COC1)C(=O)O MCULE-8636222041 [0,0,0,1,0,0|2,0,1]=4 320 B11R1.929 CC(C)OC1(CCC1)C(=O)O MCULE-6262373745 [0,0,0,1,0,0|2,0,1]=4 321 B11R1.929 O=C(O)C1(CCC1)CC(F)F MCULE-9734476572 [0,0,0,1,0,0|2,0,1]=4 322 B11R1.929 O=C(O)CC1(CCC1)C(=O)O MCULE-5638680542 [0,0,0,1,0,0|1,0,0]=2 323 B9R0.33 C#CCC(C(=O)C)C(=O)C MCULE-5068651003 [0,0,0,0,1,0|1,0,2]=4 324 B9R0.33 C=CCC(C(=O)O)C(=O)O MCULE-3298515693 [0,0,0,0,1,0|1,0,2]=4 325 B9R0.33 CC(C)C(CCN)C(=O)O MCULE-5177043751 [0,0,0,0,1,0|2,0,1]=4 326 B9R0.33 CC(C)C(CCN)C(=O)O MCULE-7075545898 [0,0,0,0,1,0|2,0,1]=4 327 B9R0.33 CCCC(C(=O)N)N(C)C MCULE-4951647411 [0,0,0,0,1,0|3,0,0]=4 328 B9R0.33 CCCC(C(=O)O)C(=O)O MCULE-5699074158 [0,0,0,0,1,0|1,0,0]=2 329 B9R0.33 CCCC(C(=O)O)C(C)C MCULE-9298455866 [0,0,0,0,1,0|1,0,1]=3 330 B9R0.33 CCCC(C(=O)O)N(C)C MCULE-1361270877 [0,0,0,0,1,0|2,0,0]=3 331 B9R0.33 CCC[C@@H](C(=O)O)N(C)C MCULE-5821588618 [0,0,0,0,1,0|2,0,0]=3 332 B9R0.33 CCC[C@@H](C(=O)O)N(C)C MCULE-6045614611 [0,0,0,0,1,0|2,0,0]=3 333 B9R0.33 CCC[C@H](C(=O)O)N(C)C MCULE-3627937276 [0,0,0,0,1,0|2,0,0]=3 334 B9R0.33 CCC[C@H](C(=O)O)N(C)C MCULE-6264285545 [0,0,0,0,1,0|2,0,0]=3 335 B9R0.33 CCNC(C(=O)O)C(C)C MCULE-2742420034 [0,0,0,0,1,0|2,0,1]=4 336 B9R0.33 CCNC(C(=O)O)C(C)C MCULE-6750636271 [0,0,0,0,1,0|2,0,1]=4 337 B9R0.33 CCOC(C(=O)O)C(C)C MCULE-7127552205 [0,0,0,0,1,0|2,0,1]=4 338 B9R0.33 CCSC(C(=O)O)C(C)C MCULE-3558131875 [0,0,0,0,1,0|2,0,1]=4 339 B9R0.33 CN(C)C(CCN)C(=O)O MCULE-8339128470 [0,0,0,0,1,0|3,0,0]=4 340 B9R0.33 CN(C)[C@@H](CCN)C(=O)O MCULE-1062850066 [0,0,0,0,1,0|3,0,0]=4 341 B9R0.33 CN(C)[C@@H](CCN)C(=O)O MCULE-3495896981 [0,0,0,0,1,0|3,0,0]=4 342 B9R0.33 CN(C)[C@@H](CCO)C(=O)O MCULE-5311348966 [0,0,0,0,1,0|3,0,0]=4 343 B9R0.33 COCC(C(=O)O)N(C)C MCULE-4810605036 [0,0,0,0,1,0|3,0,0]=4 344 B9R0.33 COCC(C(=O)O)N(C)C MCULE-7502849046 [0,0,0,0,1,0|3,0,0]=4 345 B11R0.35 C/C=C/C(CC(=O)O)CC(=O)O MCULE-7652192547 [0,0,0,0,0,1|1,0,2]=4 346 B11R0.35 CCCC(CC(=O)O)CC(=O)O MCULE-6540318880 [0,0,0,0,0,1|1,0,0]=2 347 B11R0.35 NCCN(CC(=O)O)CC(=O)O MCULE-4683503349 [0,0,0,0,0,1|3,0,0]=4 348 B11R0.35 NCCN(CC(=O)O)CC(=O)O MCULE-8211206299 [0,0,0,0,0,1|3,0,0]=4 349 B11R0.35 O=C(O)CN(CCO)CC(=O)O MCULE-4207926497 [0,0,0,0,0,1|3,0,0]=4 350 B11R0.146 CCCC(=CCC(C)C)C(=O)O MCULE-2326280646 [0,0,0,0,0,1|1,0,2]=4 351 B11R0.146 CCCC(CCC(=O)C)C(=O)O MCULE-7919400845 [0,0,0,0,0,1|0,0,0]=1 352 B11R0.146 CCCC(CCC(=O)O)C(=O)C MCULE-2427095523 [0,0,0,0,0,1|2,0,0]=3 353 B11R0.146 [C@@H](CCC(=O)N)(NCC)C(=O)O MCULE-6210892228 [0,0,0,0,0,1|2,0,0]=3 354 B8R0.5 C=C(C)CC(C)CCC MCULE-7442491404 [2,0,0,0,0,0|1,0,1]=4 355 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [2,0,0,0,0,0|1,0,1]=4 356 B8R0.5 CCCC(=O)CC(=O)C MCULE-1126963023 [2,0,0,0,0,0|0,0,1]=3 357 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [2,0,0,0,0,0|1,0,1]=4 358 B8R0.5 CCCC(C)CC(=O)C MCULE-7925360299 [2,0,0,0,0,0|0,0,1]=3 359 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [2,0,0,0,0,0|1,0,1]=4 360 B8R0.5 CCCC(C)OC(=O)C MCULE-2841775696 [2,0,0,0,0,0|1,0,1]=4 361 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [2,0,0,0,0,0|2,0,0]=4 362 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [2,0,0,0,0,0|2,0,0]=4 363 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [2,0,0,0,0,0|2,0,0]=4 364 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [2,0,0,0,0,0|2,0,0]=4 365 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [2,0,0,0,0,0|1,0,0]=3 366 B8R0.5 CCCS(=O)CC(=O)O MCULE-4278595326 [2,0,0,0,0,0|2,0,0]=4 367 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [2,0,0,0,0,0|2,0,0]=4 368 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [2,0,0,0,0,0|2,0,0]=4 369 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [2,0,0,0,0,0|2,0,0]=4 370 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [2,0,0,0,0,0|2,0,0]=4 371 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [2,0,0,0,0,0|2,0,0]=4 372 B8R0.5 CCOC(=O)CC(=O)C MCULE-8615117086 [2,0,0,0,0,0|1,0,1]=4 373 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [2,0,0,0,0,0|2,0,0]=4 374 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [2,0,0,0,0,0|2,0,0]=4 375 B8R0.5 COCC(=O)CC(=O)C MCULE-8600900987 [2,0,0,0,0,0|1,0,1]=4 376 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [2,0,0,0,0,0|2,0,0]=4 377 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [2,0,0,0,0,0|2,0,0]=4 378 B8R0.16 C=CC(CC)CC(=O)O MCULE-3976460208 [2,0,0,0,0,0|2,0,0]=4 379 B8R0.16 C=CC(CC)OC(=O)C MCULE-4764266837 [2,0,0,0,0,0|2,0,0]=4 380 B8R0.16 CCC(CC)CC(=O)C MCULE-6127320575 [2,0,0,0,0,0|1,0,1]=4 381 B8R0.16 CCC(CO)NC(=O)C MCULE-9868176705 [2,0,0,0,0,0|1,0,1]=4 382 B8R0.16 CC[C@@H](CO)NC(=O)C MCULE-2664687963 [2,0,0,0,0,0|1,0,1]=4 383 B8R0.16 CC[C@@H](CO)NC(=O)C MCULE-6485833206 [2,0,0,0,0,0|1,0,1]=4 384 B8R0.22 CCCC(C=O)CCC MCULE-6309806380 [2,0,0,0,0,0|0,0,1]=3 385 B8R0.22 CCCC(CO)CCC MCULE-2670894441 [2,0,0,0,0,0|0,0,2]=4 386 B8R0.22 CCCN(C=O)CCC MCULE-8028235265 [2,0,0,0,0,0|1,0,1]=4 387 B8R0.15 C=CCC(CC)C(=O)O MCULE-8599414655 [2,0,0,0,0,0|0,0,1]=3 388 B8R0.15 CCC(CCN)C(=O)O MCULE-3540595708 [2,0,0,0,0,0|1,0,0]=3 389 B8R0.15 CCC(CCN)C(=O)O MCULE-6369668711 [2,0,0,0,0,0|1,0,0]=3 390 B8R0.15 CCC(NC=O)C(=O)O MCULE-6163876154 [2,0,0,0,0,0|1,0,0]=3 391 B8R0.15 CCCC(C#N)C(=O)O MCULE-8231205596 [2,0,0,0,0,0|1,0,1]=4 392 B8R0.15 CCCC(CC)C(=O)C MCULE-3483794250 [2,0,0,0,0,0|1,0,0]=3 393 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [2,0,0,0,0,0|0,0,0]=2 394 B8R0.15 CCCC(CO)C(=O)O MCULE-2653026260 [2,0,0,0,0,0|0,0,1]=3 395 B8R0.15 CCCC(NC)C(=O)O MCULE-5292420123 [2,0,0,0,0,0|1,0,0]=3 396 B8R0.15 CCCC(NC)C(=O)O MCULE-5734283547 [2,0,0,0,0,0|1,0,0]=3 397 B8R0.15 CCCC(NC)C(=O)O MCULE-9559460593 [2,0,0,0,0,0|1,0,0]=3 398 B8R0.15 CCCC(NO)C(=O)O MCULE-7484331195 [2,0,0,0,0,0|1,0,1]=4 399 B8R0.15 CCCC(OC)C(=O)O MCULE-6875744280 [2,0,0,0,0,0|1,0,0]=3 400 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-3394704356 [2,0,0,0,0,0|1,0,0]=3 401 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-8140893147 [2,0,0,0,0,0|1,0,0]=3 402 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-1805025355 [2,0,0,0,0,0|0,0,1]=3 403 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-3449491143 [2,0,0,0,0,0|0,0,1]=3 404 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-1028689544 [2,0,0,0,0,0|1,0,0]=3 405 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-4848752673 [2,0,0,0,0,0|1,0,0]=3 406 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-5585839502 [2,0,0,0,0,0|1,0,0]=3 407 B8R0.15 CCC[C@H](NO)C(=O)O MCULE-7455558431 [2,0,0,0,0,0|1,0,1]=4 408 B8R0.15 CCOC(CBr)C(=O)O MCULE-5345866284 [2,0,0,0,0,0|2,0,0]=4 409 B8R0.15 CCOC(CC)C(=O)N MCULE-8093014638 [2,0,0,0,0,0|2,0,0]=4 410 B8R0.15 CCOC(CC)C(=O)O MCULE-1674742787 [2,0,0,0,0,0|1,0,0]=3 411 B8R0.15 CNC(CCN)C(=O)O MCULE-6687313255 [2,0,0,0,0,0|2,0,0]=4 412 B8R0.15 CNC(COC)C(=O)O MCULE-4091913769 [2,0,0,0,0,0|2,0,0]=4 413 B8R0.15 CNC(COC)C(=O)O MCULE-6745647660 [2,0,0,0,0,0|2,0,0]=4 414 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-4209872941 [2,0,0,0,0,0|2,0,0]=4 415 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-7202916887 [2,0,0,0,0,0|2,0,0]=4 416 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-1874728709 [2,0,0,0,0,0|2,0,0]=4 417 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-3716592032 [2,0,0,0,0,0|2,0,0]=4 418 B8R0.15 COC(CCN)C(=O)O MCULE-1510512790 [2,0,0,0,0,0|2,0,0]=4 419 B8R0.15 COCC(OC)C(=O)O MCULE-5776685365 [2,0,0,0,0,0|2,0,0]=4 420 B8R0.15 O=CN[C@@H](CS)C(=O)O MCULE-9815114026 [2,0,0,0,0,0|2,0,0]=4 421 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [2,0,0,0,0,0|2,0,0]=4 422 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [2,0,0,0,0,0|1,0,0]=3 423 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [2,0,0,0,0,0|2,0,0]=4 424 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [2,0,0,0,0,0|2,0,0]=4 425 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [2,0,0,0,0,0|1,0,0]=3 426 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [2,0,0,0,0,0|2,0,0]=4 427 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [2,0,0,0,0,0|2,0,0]=4 428 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [2,0,0,0,0,0|2,0,0]=4 429 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [2,0,0,0,0,0|0,0,0]=2 430 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [2,0,0,0,0,0|1,0,0]=3 431 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [2,0,0,0,0,0|1,0,0]=3 432 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [2,0,0,0,0,0|2,0,0]=4 433 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [2,0,0,0,0,0|1,0,0]=3 434 B8R0.23 CC(=O)NC(C)C(=O)C MCULE-4672583112 [2,0,0,0,0,0|2,0,0]=4 435 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [2,0,0,0,0,0|1,0,0]=3 436 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [2,0,0,0,0,0|1,0,0]=3 437 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-1899336261 [2,0,0,0,0,0|2,0,0]=4 438 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-2242849037 [2,0,0,0,0,0|2,0,0]=4 439 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9322824133 [2,0,0,0,0,0|2,0,0]=4 440 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9348799148 [2,0,0,0,0,0|2,0,0]=4 441 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [2,0,0,0,0,0|1,0,0]=3 442 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [2,0,0,0,0,0|1,0,0]=3 443 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [2,0,0,0,0,0|1,0,0]=3 444 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [2,0,0,0,0,0|1,0,0]=3 445 B8R0.23 CC(=O)OC(C)C(=O)C MCULE-7403314261 [2,0,0,0,0,0|2,0,0]=4 446 B8R0.23 CC(=O)OC(C)C(=O)Cl MCULE-9987734584 [2,0,0,0,0,0|2,0,0]=4 447 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [2,0,0,0,0,0|1,0,0]=3 448 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [2,0,0,0,0,0|1,0,0]=3 449 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-6842776649 [2,0,0,0,0,0|2,0,0]=4 450 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-9564324053 [2,0,0,0,0,0|2,0,0]=4 451 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [2,0,0,0,0,0|1,0,0]=3 452 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [2,0,0,0,0,0|1,0,0]=3 453 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-4690787544 [2,0,0,0,0,0|2,0,0]=4 454 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-6415823129 [2,0,0,0,0,0|2,0,0]=4 455 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [2,0,0,0,0,0|1,0,0]=3 456 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [2,0,0,0,0,0|1,0,0]=3 457 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [2,0,0,0,0,0|1,0,1]=4 458 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [2,0,0,0,0,0|2,0,0]=4 459 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [2,0,0,0,0,0|1,0,0]=3 460 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [2,0,0,0,0,0|1,0,0]=3 461 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [2,0,0,0,0,0|1,0,0]=3 462 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7139783268 [2,0,0,0,0,0|2,0,0]=4 463 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7716649676 [2,0,0,0,0,0|2,0,0]=4 464 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [2,0,0,0,0,0|1,0,0]=3 465 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [2,0,0,0,0,0|2,0,0]=4 466 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [2,0,0,0,0,0|2,0,0]=4 467 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [2,0,0,0,0,0|2,0,0]=4 468 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [2,0,0,0,0,0|2,0,0]=4 469 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [2,0,0,0,0,0|1,0,0]=3 470 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [2,0,0,0,0,0|1,0,0]=3 471 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [2,0,0,0,0,0|1,0,0]=3 472 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [2,0,0,0,0,0|1,0,0]=3 473 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [2,0,0,0,0,0|2,0,0]=4 474 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [2,0,0,0,0,0|2,0,0]=4 475 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [2,0,0,0,0,0|2,0,0]=4 476 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [2,0,0,0,0,0|2,0,0]=4 477 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [2,0,0,0,0,0|2,0,0]=4 478 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [2,0,0,0,0,0|2,0,0]=4 479 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [2,0,0,0,0,0|2,0,0]=4 480 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [2,0,0,0,0,0|2,0,0]=4 481 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [2,0,0,0,0,0|2,0,0]=4 482 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [2,0,0,0,0,0|2,0,0]=4 483 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [2,0,0,0,0,0|2,0,0]=4 484 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [2,0,0,0,0,0|2,0,0]=4 485 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [2,0,0,0,0,0|2,0,0]=4 486 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [2,0,0,0,0,0|2,0,0]=4 487 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [2,0,0,0,0,0|2,0,0]=4 488 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [2,0,0,0,0,0|2,0,0]=4 489 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [2,0,0,0,0,0|2,0,0]=4 490 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [2,0,0,0,0,0|2,0,0]=4 491 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [2,0,0,0,0,0|2,0,0]=4 492 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [2,0,0,0,0,0|2,0,0]=4 493 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [2,0,0,0,0,0|2,0,0]=4 494 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [2,0,0,0,0,0|2,0,0]=4 495 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [2,0,0,0,0,0|2,0,0]=4 496 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [2,0,0,0,0,0|2,0,0]=4 497 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [2,0,0,0,0,0|2,0,0]=4 498 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [2,0,0,0,0,0|2,0,0]=4 499 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [2,0,0,0,0,0|2,0,0]=4 500 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [2,0,0,0,0,0|2,0,0]=4 501 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [2,0,0,0,0,0|2,0,0]=4 502 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [2,0,0,0,0,0|2,0,0]=4 503 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [2,0,0,0,0,0|2,0,0]=4 504 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [2,0,0,0,0,0|2,0,0]=4 505 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [2,0,0,0,0,0|2,0,0]=4 506 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [2,0,0,0,0,0|2,0,0]=4 507 B10R0.29 CCCC(CC)CC(=O)OC MCULE-4866727110 [1,1,0,0,0,0|1,0,1]=4 508 B10R0.87 CCCCC(CC)CC(=O)C MCULE-4325342616 [1,1,0,0,0,0|1,0,1]=4 509 B10R0.30 CCCC(C(=O)O)C(=O)OC MCULE-8198154173 [1,1,0,0,0,0|1,0,1]=4 510 B10R0.73 CCCC(CCC)C(=O)OC MCULE-9182422484 [1,1,0,0,0,0|0,0,1]=3 511 B10R0.73 CCCN(CCC)C(=O)CO MCULE-9948129265 [1,1,0,0,0,0|1,0,1]=4 512 B10R0.88 CCCC(CCCO)C(=O)O MCULE-4581279785 [1,1,0,0,0,0|0,0,1]=3 513 B10R0.88 CCCC(CCCO)C(=O)[O-] MCULE-5352096496 [1,1,0,0,0,0|0,0,2]=4 514 B10R0.88 CCCCC(CCC)C(=O)C MCULE-9579571137 [1,1,0,0,0,0|1,0,1]=4 515 B10R0.88 CCCCC(CCC)C(=O)O MCULE-6453713560 [1,1,0,0,0,0|0,0,1]=3 516 B10R0.88 CCCCC(OCC)C(=O)O MCULE-8965525992 [1,1,0,0,0,0|1,0,1]=4 517 B10R0.88 CCCC[C@H](NC=O)C(=O)O MCULE-4509479689 [1,1,0,0,0,0|1,0,0]=3 518 B10R0.88 CCCC[C@H](NC=O)C(=O)O MCULE-9386007072 [1,1,0,0,0,0|1,0,0]=3 519 B10R0.88 CSCCC(NC=O)C(=O)O MCULE-1321874627 [1,1,0,0,0,0|1,0,0]=3 520 B10R0.88 CSCC[C@@H](NC=O)C(=O)O MCULE-1193383828 [1,1,0,0,0,0|1,0,0]=3 521 B10R0.88 CSCC[C@H](NC=O)C(=O)O MCULE-6184653272 [1,1,0,0,0,0|1,0,0]=3 522 B10R0.88 CSCC[C@H](NC=O)C(=O)O MCULE-8050291491 [1,1,0,0,0,0|1,0,0]=3 523 B10R0.103 CCCC(C)(CCC)C(=O)O MCULE-1572608465 [1,1,0,0,0,0|0,0,1]=3 524 B10R0.103 CCCC(N)(CCC)C(=O)O MCULE-3861431976 [1,1,0,0,0,0|0,0,1]=3 525 B10R0.103 CCCC(N)(CCC)C(=O)O MCULE-8407628230 [1,1,0,0,0,0|0,0,1]=3 526 B10R0.103 CCCC(O)(CCC)C(=O)O MCULE-2628616078 [1,1,0,0,0,0|0,0,1]=3 527 B10R0.103 COCC(N)(COC)C(=O)O MCULE-4566255309 [1,1,0,0,0,0|2,0,0]=4 528 B10R0.103 COCC(O)(COC)C(=O)O MCULE-1633041453 [1,1,0,0,0,0|2,0,0]=4 529 B10R0.53 CCC(NC(=O)CCl)C(=O)O MCULE-5604735564 [1,1,0,0,0,0|1,0,0]=3 530 B10R0.53 CCC(NC(=O)CN)C(=O)O MCULE-2960630687 [1,1,0,0,0,0|1,0,0]=3 531 B10R0.53 NCC(=O)NC(CO)C(=O)O MCULE-9704484705 [1,1,0,0,0,0|2,0,0]=4 532 B10R0.53 NCC(=O)N[C@@H](CO)C(=O)O MCULE-4986689442 [1,1,0,0,0,0|2,0,0]=4 533 B10R0.53 NCC(=O)N[C@@H](CS)C(=O)O MCULE-6900882033 [1,1,0,0,0,0|2,0,0]=4 534 B10R0.53 O=C(CCl)NC(CO)C(=O)O MCULE-3786186517 [1,1,0,0,0,0|2,0,0]=4 535 B10R0.53 O=C(CCl)N[C@@H](CO)C(=O)O MCULE-8807935269 [1,1,0,0,0,0|2,0,0]=4 536 B10R0.53 [C@@H](CO)(NC(=O)CN)C(=O)O MCULE-7844760749 [1,1,0,0,0,0|2,0,0]=4 537 B10R0.95 CCC(CC(C)(C)C)C(=O)O MCULE-7241334010 [1,1,0,0,0,0|1,0,1]=4 538 B10R0.119 CC(CN)(CC(=O)O)C(=O)O MCULE-2103588985 [1,1,0,0,0,0|2,0,0]=4 539 B10R0.119 CC(CN)(CC(=O)O)C(=O)O MCULE-8467010129 [1,1,0,0,0,0|2,0,0]=4 540 B10R0.119 CCC(C)(CC(=O)O)C(=O)O MCULE-5857208842 [1,1,0,0,0,0|1,0,0]=3 541 B10R0.162 CC(=O)NC(C(=O)N)C(C)C MCULE-4954417296 [1,1,0,0,0,0|2,0,0]=4 542 B10R0.162 CC(=O)NC(C(=O)O)C(C)C MCULE-5114275353 [1,1,0,0,0,0|1,0,0]=3 543 B10R0.162 CC(=O)NC(C(=O)O)C(C)C MCULE-7625507425 [1,1,0,0,0,0|1,0,0]=3 544 B10R0.162 CC(=O)N[C@@H](C(=O)O)C(C)C MCULE-7724348414 [1,1,0,0,0,0|1,0,0]=3 545 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C MCULE-5832011663 [1,1,0,0,0,0|2,0,0]=4 546 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C MCULE-6203599101 [1,1,0,0,0,0|2,0,0]=4 547 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C MCULE-4757813230 [1,1,0,0,0,0|1,0,0]=3 548 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C MCULE-6959371366 [1,1,0,0,0,0|1,0,0]=3 549 B10R0.162 CC(=O)N[C@H](C(=O)O)[C@@H](C)O MCULE-1503882427 [1,1,0,0,0,0|1,0,0]=3 550 B10R0.162 CC(=O)N[C@H](C(=O)O)[C@@H](C)O MCULE-5611708903 [1,1,0,0,0,0|1,0,0]=3 551 B10R0.162 CC(=O)OC(C(=O)O)C(C)C MCULE-6800981090 [1,1,0,0,0,0|1,0,0]=3 552 B10R0.162 CC(=O)O[C@@H](C(=O)O)C(C)C MCULE-2609525866 [1,1,0,0,0,0|1,0,0]=3 553 B10R0.162 CC(C)C(CC(=O)O)C(=O)O MCULE-8647740549 [1,1,0,0,0,0|1,0,0]=3 554 B10R0.162 CC(C)C(NC(=O)N)C(=O)O MCULE-8905457274 [1,1,0,0,0,0|2,0,0]=4 555 B10R0.162 CC(C)CC(C(=O)O)C(C)C MCULE-4248316159 [1,1,0,0,0,0|1,0,1]=4 556 B10R0.162 CC(C)[C@@H](NC(=O)N)C(=O)O MCULE-8034373559 [1,1,0,0,0,0|2,0,0]=4 557 B10R0.162 CC(O)C(NC(=O)N)C(=O)O MCULE-3166365598 [1,1,0,0,0,0|2,0,0]=4 558 B10R0.162 CN(C)[C@@H](CC(=O)O)C(=O)O MCULE-5975487097 [1,1,0,0,0,0|2,0,0]=4 559 B10R0.162 CN(C)[C@H](CC(=O)N)C(=O)O MCULE-9653422208 [1,1,0,0,0,0|2,0,0]=4 560 B10R0.162 CN(C)[C@H](CC(=O)O)C(=O)O MCULE-7438928757 [1,1,0,0,0,0|2,0,0]=4 561 B10R0.162 [C@@H](NC(=O)N)(C(=O)O)C(C)C MCULE-1578246756 [1,1,0,0,0,0|2,0,0]=4 562 B10R0.162 [C@H](NC(=O)C)(C(=O)O)C(C)C MCULE-3375530717 [1,1,0,0,0,0|1,0,0]=3 563 B10R0.17 CC(=O)C(CCC#N)C(=O)C MCULE-7422014117 [0,1,0,0,1,0|1,0,1]=4 564 B10R0.17 CCCCC(C(=O)C)C(=O)C MCULE-7952862116 [0,1,0,0,1,0|1,0,0]=3 565 B10R0.17 CCCCC(C(=O)O)C(=O)O MCULE-4493343687 [0,1,0,0,1,0|1,0,0]=3 566 B10R0.17 CCCCC(C(=O)O)C(C)C MCULE-9724362832 [0,1,0,0,1,0|1,0,1]=4 567 B10R0.17 CCCCC(C(=O)O)N(C)C MCULE-6841521624 [0,1,0,0,1,0|2,0,0]=4 568 B10R0.17 CCCC[C@H](C(=O)O)N(C)C MCULE-9240540420 [0,1,0,0,1,0|2,0,0]=4 569 B10R0.17 CCCNC(C(=O)O)C(C)C MCULE-3668478974 [0,1,0,0,1,0|1,0,1]=4 570 B10R0.17 CCCNC(C(=O)O)C(C)C MCULE-6730955968 [0,1,0,0,1,0|1,0,1]=4 571 B10R0.17 CSCCC(C(=O)O)N(C)C MCULE-9926404769 [0,1,0,0,1,0|2,0,0]=4 572 B10R0.17 CSCC[C@@H](C(=O)O)N(C)C MCULE-5085715326 [0,1,0,0,1,0|2,0,0]=4 573 B10R0.17 CSCC[C@H](C(=O)O)N(C)C MCULE-7026121281 [0,1,0,0,1,0|2,0,0]=4 574 B10R0.17 NCCCC(C(=O)O)C(=O)O MCULE-4043949471 [0,1,0,0,1,0|1,0,0]=3 575 B10R0.69 CCCC(C(=O)O)S(=O)(=O)N MCULE-7623370414 [0,1,0,0,1,0|2,0,0]=4 576 B10R0.118 CCC(C)C(C(=O)O)N(C)C MCULE-9389725198 [0,1,0,0,1,0|2,0,0]=4 577 B10R0.149 CCCC(C)(C(=O)O)N(C)C MCULE-6567289499 [0,1,0,0,1,0|2,0,0]=4 578 B10R0.149 COCC(C)(C(=O)O)C(=O)O MCULE-9440634690 [0,1,0,0,1,0|2,0,0]=4 579 B12R0.41 CC(C)CC(CC(=O)N)CC(=O)O MCULE-4379796345 [0,1,0,0,0,1|1,0,0]=3 580 B12R0.41 CC(C)CC(CC(=O)N)CC(=O)O MCULE-6251806077 [0,1,0,0,0,1|1,0,0]=3 581 B12R0.41 CC(C)CC(CC(=O)O)CC(=O)O MCULE-7888882967 [0,1,0,0,0,1|1,0,0]=3 582 B12R0.41 CC(C)CC(CC(=O)O)CN(=O)=O MCULE-3064354833 [0,1,0,0,0,1|2,0,0]=4 583 B12R0.41 CC(C)C[C@@H](CC(=O)N)CC(=O)O MCULE-6717622510 [0,1,0,0,0,1|1,0,0]=3 584 B12R0.41 CC(C)C[C@@H](CC(=O)N)CC(=O)O MCULE-7836724145 [0,1,0,0,0,1|1,0,0]=3 585 B12R0.41 CC(C)C[C@H](CC(=O)N)CC(=O)O MCULE-2691588542 [0,1,0,0,0,1|1,0,0]=3 586 B12R0.41 CC(C)C[C@H](CC(=O)N)CC(=O)O MCULE-6532551802 [0,1,0,0,0,1|1,0,0]=3 587 B12R0.55 CCCCC(ON=C(C)C)C(=O)O MCULE-1784339861 [0,1,0,0,0,1|2,0,0]=4 588 B12R0.55 O=C(O)CCC(CCCS)C(=O)O MCULE-4196522800 [0,1,0,0,0,1|1,0,0]=3 589 B12R0.55 O=C(O)CC[C@H](CCCS)C(=O)O MCULE-4737028793 [0,1,0,0,0,1|1,0,0]=3 590 B12R0.138 CC(=O)NC(CSC(=O)C)C(=O)O MCULE-1484830678 [0,1,0,0,0,1|1,0,1]=4 591 B12R0.138 CC(=O)N[C@@H](CSC(=O)C)C(=O)O MCULE-3391917785 [0,1,0,0,0,1|1,0,1]=4 592 B12R0.138 CC(=O)N[C@@H](CSC(=O)C)C(=O)O MCULE-5905408007 [0,1,0,0,0,1|1,0,1]=4 593 B12R0.138 CC(C)CC(CCC(=O)O)C(=O)O MCULE-5689039654 [0,1,0,0,0,1|1,0,0]=3 594 B12R0.403 CCCC(CCC(=O)NO)C(=O)O MCULE-3864916891 [0,1,0,0,0,1|1,0,0]=3 595 B12R0.199 CCC(C)C(NS(=O)(=O)C)C(=O)O MCULE-2100770427 [0,2,0,0,0,0|2,0,0]=4 596 B12R0.393 CC(=O)NC(CC(C)(C)C)C(=O)O MCULE-3178434572 [0,2,0,0,0,0|1,0,0]=3 597 B12R0.393 CC(=O)NC(CC(F)(F)F)C(=O)O MCULE-2341102920 [0,2,0,0,0,0|2,0,0]=4 598 B12R0.393 CC(=O)N[C@@H](CC(C)(C)C)C(=O)O MCULE-5800403955 [0,2,0,0,0,0|1,0,0]=3 599 B12R0.393 CC(=O)N[C@H](CC(F)(F)F)C(=O)O MCULE-2992472630 [0,2,0,0,0,0|2,0,0]=4 600 B12R0.393 CC(C)(C)CC(CC(=O)O)C(=O)O MCULE-9332320504 [0,2,0,0,0,0|1,0,0]=3 601 B12R0.393 CC(C)CC(NS(=O)(=O)C)C(=O)O MCULE-7931477056 [0,2,0,0,0,0|2,0,0]=4 602 B12R0.393 [C@@H](CC(C)(C)C)(NC(=O)C)C(=O)O MCULE-6593489318 [0,2,0,0,0,0|1,0,0]=3 603 B12R0.151 CC(C)CC(NC(=O)CCl)C(=O)O MCULE-1215001215 [0,2,0,0,0,0|1,0,0]=3 604 B12R0.151 CC(C)CC(NC(=O)CN)C(=O)N MCULE-2601191716 [0,2,0,0,0,0|2,0,0]=4 605 B12R0.151 CC(C)CC(NC(=O)CN)C(=O)N MCULE-4753815448 [0,2,0,0,0,0|2,0,0]=4 606 B12R0.151 CC(C)CC(NC(=O)CN)C(=O)O MCULE-9863396704 [0,2,0,0,0,0|1,0,0]=3 607 B12R0.151 CC(C)C[C@@H](NC(=O)CN)C(=O)O MCULE-3336013718 [0,2,0,0,0,0|1,0,0]=3 608 B12R0.151 CC(C)C[C@@H](NC(=O)CN)C(=O)O MCULE-8693096334 [0,2,0,0,0,0|1,0,0]=3 609 B12R0.151 CC(C)C[C@H](NC(=O)CCl)C(=O)O MCULE-7475626793 [0,2,0,0,0,0|1,0,0]=3 610 B12R0.151 CC(C)C[C@H](NC(=O)CCl)C(=O)O MCULE-9159682034 [0,2,0,0,0,0|1,0,0]=3 611 B12R0.151 CC(C)C[C@H](NC(=O)CN)C(=O)N MCULE-2057048674 [0,2,0,0,0,0|2,0,0]=4 612 B12R0.151 CC(C)C[C@H](NC(=O)CN)C(=O)N MCULE-2786251437 [0,2,0,0,0,0|2,0,0]=4 613 B12R0.151 CC(C)C[C@H](NC(=O)CN)C(=O)N MCULE-3668178645 [0,2,0,0,0,0|2,0,0]=4 614 B12R0.151 CC(C)C[C@H](NC(=O)CN)C(=O)N MCULE-4644862621 [0,2,0,0,0,0|2,0,0]=4 615 B12R0.151 CC(C)C[C@H](NC(=O)CN)C(=O)O MCULE-2681763425 [0,2,0,0,0,0|1,0,0]=3 616 B12R0.151 COC(=O)CC(NC(=O)C)C(=O)O MCULE-1434400963 [0,2,0,0,0,0|1,0,1]=4 617 B12R0.151 COC(=O)C[C@H](NC(=O)C)C(=O)O MCULE-2116301658 [0,2,0,0,0,0|1,0,1]=4 618 B12R0.151 COC(=O)C[C@H](NC(=O)C)C(=O)O MCULE-8794138861 [0,2,0,0,0,0|1,0,1]=4 619 B12R0.151 COC(=O)NC(CC(C)C)C(=O)O MCULE-2938160040 [0,2,0,0,0,0|1,0,0]=3 620 B12R0.151 COC(=O)N[C@@H](CC(C)C)C(=O)O MCULE-7102026149 [0,2,0,0,0,0|1,0,0]=3 621 B12R0.151 [C@@H](CC(C)C)(NC(=O)CN)C(=O)O MCULE-2667583553 [0,2,0,0,0,0|1,0,0]=3 622 B12R0.694 CC(C)CC(N)(CC(C)C)C(=O)O MCULE-4201228691 [0,2,0,0,0,0|1,0,1]=4 623 B12R0.182 CCC(C)C(NC(=O)C)C(=O)NC MCULE-2298618412 [0,2,0,0,0,0|2,0,0]=4 624 B12R0.182 CCC(C)C(NC(=O)C)C(=O)OC MCULE-1537928638 [0,2,0,0,0,0|1,0,0]=3 625 B12R0.182 CC[C@H](C)[C@H](NC(=O)C)C(=O)NC MCULE-3068476107 [0,2,0,0,0,0|2,0,0]=4 626 B12R0.182 CC[C@H](C)[C@H](NC(=O)C)C(=O)NC MCULE-6952391799 [0,2,0,0,0,0|2,0,0]=4 627 B12R0.182 CC[C@H](C)[C@H](NC(=O)C)C(=O)OC MCULE-3702736664 [0,2,0,0,0,0|1,0,0]=3 628 B12R0.182 CC[C@H](C)[C@H](NC(=O)C)C(=O)OC MCULE-8044366554 [0,2,0,0,0,0|1,0,0]=3 629 B12R0.182 COC(=O)C(CC(=O)C)C(=O)OC MCULE-5656200830 [0,2,0,0,0,0|1,0,1]=4 630 B12R0.247 COC(=O)C(CCSC)NC(=O)C MCULE-1752910006 [0,2,0,0,0,0|1,0,0]=3 631 B12R0.247 COC(=O)[C@H](CCSC)NC(=O)C MCULE-5242767729 [0,2,0,0,0,0|1,0,0]=3 632 B12R0.247 COC(=O)[C@H](CCSC)NC(=O)C MCULE-7873559640 [0,2,0,0,0,0|1,0,0]=3 633 B12R0.284 CCOC(=O)[C@H](CCO)OC(=O)C MCULE-8130165727 [0,2,0,0,0,0|2,0,0]=4 634 B12R0.253 CCCCC(C(=O)O)C(C)C(=O)O MCULE-8704830895 [0,2,0,0,0,0|1,0,0]=3 635 B12R0.73 CCOC(=O)C(CC(=O)C)C(=O)C MCULE-6115337677 [0,2,0,0,0,0|1,0,1]=4 636 B12R0.73 CCOC(=O)C(NC(=O)C)C(=O)O MCULE-9490902142 [0,2,0,0,0,0|1,0,1]=4 637 B12R0.158 CCC(=O)N[C@H](C(=O)O)[C@@H](C)CC MCULE-3305734497 [0,2,0,0,0,0|1,0,0]=3 638 B12R0.158 CCC(=O)N[C@H](C(=O)O)[C@@H](C)CC MCULE-3557838145 [0,2,0,0,0,0|1,0,0]=3 639 B12R0.158 CCC(C)C(NC(=O)CCl)C(=O)O MCULE-7533615051 [0,2,0,0,0,0|1,0,0]=3 640 B12R0.158 CCC(C)C(NC(=O)CN)C(=O)O MCULE-4373180554 [0,2,0,0,0,0|1,0,0]=3 641 B12R0.158 CC[C@H](C)[C@H](NC(=O)CCl)C(=O)O MCULE-6383497507 [0,2,0,0,0,0|1,0,0]=3 642 B12R0.158 CC[C@H](C)[C@H](NC(=O)CN)C(=O)O MCULE-1884579707 [0,2,0,0,0,0|1,0,0]=3 643 B12R0.158 CC[C@H](C)[C@H](NC(=O)CN)C(=O)O MCULE-8190336644 [0,2,0,0,0,0|1,0,0]=3 644 B12R0.158 CC[C@H](C)[C@H](NC(=O)OC)C(=O)O MCULE-2515668495 [0,2,0,0,0,0|1,0,0]=3 645 B12R0.578 CCC(CC)C(NC(=O)C)C(=O)O MCULE-1166202168 [0,2,0,0,0,0|1,0,0]=3 646 B12R0.120 C=CCSCC(NC(=O)C)C(=O)O MCULE-3064329228 [0,2,0,0,0,0|1,0,1]=4 647 B12R0.120 C=CCSC[C@H](NC(=O)C)C(=O)O MCULE-7322007743 [0,2,0,0,0,0|1,0,1]=4 648 B12R0.120 CC(=O)NC(CCCCN)C(=O)O MCULE-8017448166 [0,2,0,0,0,0|1,0,0]=3 649 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)N MCULE-1304308787 [0,2,0,0,0,0|2,0,0]=4 650 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)N MCULE-3583752590 [0,2,0,0,0,0|2,0,0]=4 651 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)N MCULE-8452006905 [0,2,0,0,0,0|2,0,0]=4 652 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)N MCULE-8798570465 [0,2,0,0,0,0|2,0,0]=4 653 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)O MCULE-5740334109 [0,2,0,0,0,0|1,0,0]=3 654 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)O MCULE-7913524496 [0,2,0,0,0,0|1,0,0]=3 655 B12R0.120 CC(=O)N[C@@H](CSCCO)C(=O)O MCULE-8868188800 [0,2,0,0,0,0|1,0,0]=3 656 B12R0.120 CC(=O)N[C@H](CCCCN)C(=O)O MCULE-2510006283 [0,2,0,0,0,0|1,0,0]=3 657 B12R0.120 CC(=O)N[C@H](CCCCN)C(=O)O MCULE-3102213302 [0,2,0,0,0,0|1,0,0]=3 658 B12R0.120 CCCCNC(CC(C)C)C(=O)O MCULE-8193550563 [0,2,0,0,0,0|1,0,1]=4 659 B12R0.120 CCCCNC(CC(C)C)C(=O)O MCULE-8921683556 [0,2,0,0,0,0|1,0,1]=4 660 B12R0.120 CCCCSC(CC(=O)O)C(=O)O MCULE-8785216159 [0,2,0,0,0,0|1,0,0]=3 661 B12R0.120 CCCSCC(NC(=O)C)C(=O)O MCULE-4773534022 [0,2,0,0,0,0|1,0,0]=3 662 B12R0.120 CCCSC[C@H](NC(=O)C)C(=O)O MCULE-6827648453 [0,2,0,0,0,0|1,0,0]=3 663 B12R0.120 CCSCCC(NC(=O)C)C(=O)O MCULE-1435768152 [0,2,0,0,0,0|1,0,0]=3 664 B12R0.129 C=CCNC(CC(=O)OC)C(=O)O MCULE-6453270610 [0,2,0,0,0,0|0,0,2]=4 665 B12R0.129 CCC(=O)NC(CCSC)C(=O)O MCULE-3106840396 [0,2,0,0,0,0|1,0,0]=3 666 B12R0.129 CCCCC(NC(=O)CCl)C(=O)O MCULE-4223749111 [0,2,0,0,0,0|1,0,0]=3 667 B12R0.129 CCCCC(NC(=O)CN)C(=O)O MCULE-1003008344 [0,2,0,0,0,0|1,0,0]=3 668 B12R0.129 CCCC[C@H](NC(=O)CCl)C(=O)O MCULE-2346200876 [0,2,0,0,0,0|1,0,0]=3 669 B12R0.129 CCCC[C@H](NC(=O)CCl)C(=O)O MCULE-3907518151 [0,2,0,0,0,0|1,0,0]=3 670 B12R0.129 CSCCC(NC(=O)CN)C(=O)O MCULE-4509739617 [0,2,0,0,0,0|1,0,0]=3 671 B12R0.129 CSCC[C@H](NC(=O)CN)C(=O)O MCULE-1237894856 [0,2,0,0,0,0|1,0,0]=3 672 B12R0.129 CSCC[C@H](NC(=O)CN)C(=O)O MCULE-9573195638 [0,2,0,0,0,0|1,0,0]=3 673 B12R0.129 [C@@H](CCCC)(NC(=O)CN)C(=O)O MCULE-9428552827 [0,2,0,0,0,0|1,0,0]=3 674 B10R1.8 CC1CC(CC(C1)C=O)C MCULE-8057927767 [1,0,0,1,0,0|1,0,1]=4 675 B10R1.8 CC1CC(CC(O1)C)C=O MCULE-6382970154 [1,0,0,1,0,0|0,0,2]=4 676 B10R1.10 CCCC1CC(=O)CCN1 MCULE-1509807204 [1,0,0,1,0,0|2,0,0]=4 677 B10R1.10 CCCC1CC(=O)CCN1 MCULE-1669137140 [1,0,0,1,0,0|2,0,0]=4 678 B10R1.10 CCCC1CC(=O)CCO1 MCULE-7566764510 [1,0,0,1,0,0|2,0,0]=4 679 B10R1.10 CCCC1CCCC(=O)C1 MCULE-7668769463 [1,0,0,1,0,0|1,0,1]=4 680 B10R1.18 CC(=O)CC1=CCCCC1 MCULE-7211325077 [1,0,0,1,0,0|1,0,1]=4 681 B10R1.18 CC(=O)CC1CCCCC1 MCULE-4557008527 [1,0,0,1,0,0|1,0,1]=4 682 B10R1.18 CC(=O)CC1CCCCN1 MCULE-1827771795 [1,0,0,1,0,0|2,0,0]=4 683 B10R1.18 CC(=O)CC1CCCCN1 MCULE-9317294757 [1,0,0,1,0,0|2,0,0]=4 684 B10R1.18 CC(=O)CC1CCCCO1 MCULE-1058487646 [1,0,0,1,0,0|2,0,0]=4 685 B10R1.18 CC(=O)CC1CCCOC1 MCULE-4781249046 [1,0,0,1,0,0|0,0,1]=3 686 B10R1.18 CC(=O)CC1COCCN1 MCULE-5675632157 [1,0,0,1,0,0|1,0,1]=4 687 B10R1.18 CC(=O)CC1COCCN1 MCULE-9995133275 [1,0,0,1,0,0|1,0,1]=4 688 B10R1.18 CC(=O)C[C@H]1CCCCN1 MCULE-2330430389 [1,0,0,1,0,0|2,0,0]=4 689 B10R1.18 CC(=O)OC1C=CCCC1 MCULE-7559627891 [1,0,0,1,0,0|2,0,0]=4 690 B10R1.18 O=C(O)CC1C=CCCC1 MCULE-3207533436 [1,0,0,1,0,0|2,0,0]=4 691 B10R1.18 O=C(O)CC1CCCOC1 MCULE-5877605158 [1,0,0,1,0,0|1,0,1]=4 692 B10R1.39 CC(=O)N1CCCC1C=O MCULE-5344603366 [1,0,0,1,0,0|1,0,0]=3 693 B10R1.39 CC(=O)N1CCCC1CO MCULE-2029735886 [1,0,0,1,0,0|1,0,1]=4 694 B10R1.39 CC(=O)N1CCC[C@@H]1CO MCULE-3119909139 [1,0,0,1,0,0|1,0,1]=4 695 B10R1.39 CC(=O)N1CCC[C@@H]1CO MCULE-7915815739 [1,0,0,1,0,0|1,0,1]=4 696 B10R1.39 CC(=O)N1CCC[C@H]1C=O MCULE-2305579763 [1,0,0,1,0,0|1,0,0]=3 697 B10R1.39 CC(=O)N1CCC[C@H]1CO MCULE-3135356114 [1,0,0,1,0,0|1,0,1]=4 698 B10R1.39 CC(=O)N1CCC[C@H]1CO MCULE-9351527842 [1,0,0,1,0,0|1,0,1]=4 699 B10R1.39 O=CN1CCC[C@H]1C(=O)O MCULE-4414225416 [1,0,0,1,0,0|2,0,0]=4 700 B10R1.39 O=CN1CCC[C@H]1C(=O)O MCULE-8771289289 [1,0,0,1,0,0|2,0,0]=4 701 B10R1.64 CC(=O)NC1CCOC1=O MCULE-5727753236 [1,0,0,1,0,0|2,0,0]=4 702 B10R1.64 CC(=O)NC1CCSC1=O MCULE-3189072897 [1,0,0,1,0,0|2,0,0]=4 703 B10R1.64 CC(=O)NN1CCCC1=O MCULE-1490773377 [1,0,0,1,0,0|2,0,0]=4 704 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O MCULE-6420976383 [1,0,0,1,0,0|1,0,1]=4 705 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O MCULE-9888711851 [1,0,0,1,0,0|1,0,1]=4 706 B10R1.64 CC(=O)N[C@H]1CCOC1=O MCULE-5447353787 [1,0,0,1,0,0|2,0,0]=4 707 B10R1.64 CC(=O)N[C@H]1CCSC1=O MCULE-3439062111 [1,0,0,1,0,0|2,0,0]=4 708 B10R1.64 CC(=O)OC1CCNC1=O MCULE-8273704915 [1,0,0,1,0,0|2,0,0]=4 709 B10R1.64 CC(=O)O[C@@H]1CCC[C@H]1O MCULE-7895175018 [1,0,0,1,0,0|1,0,1]=4 710 B10R1.64 CC(C)CC1CCCC1=O MCULE-4871640559 [1,0,0,1,0,0|1,0,1]=4 711 B10R1.64 CN(C)CC1CCCC1=O MCULE-5987666640 [1,0,0,1,0,0|2,0,0]=4 712 B10R1.64 CN(C)CC1CCCC1=O MCULE-9641760477 [1,0,0,1,0,0|2,0,0]=4 713 B10R1.64 NC(=O)CN1CCCC1=O MCULE-7645397226 [1,0,0,1,0,0|2,0,0]=4 714 B10R1.64 NC(=O)NC1CCCC1=O MCULE-8760589602 [1,0,0,1,0,0|2,0,0]=4 715 B10R1.64 O=C(Cl)CC1CCCC1=O MCULE-7029776897 [1,0,0,1,0,0|1,0,0]=3 716 B10R1.64 O=C(O)CC1CCCC1=O MCULE-9371811615 [1,0,0,1,0,0|1,0,0]=3 717 B10R1.64 O=C(O)CC1CCNC1=O MCULE-4096969007 [1,0,0,1,0,0|2,0,0]=4 718 B10R1.64 O=C(O)CN1CCCC1=O MCULE-3122232316 [1,0,0,1,0,0|2,0,0]=4 719 B10R1.130 CCCC1=C(OC(=O)C1)O MCULE-2182437649 [1,0,0,1,0,0|1,0,1]=4 720 B10R1.130 CCCC1NC(=O)NC1=O MCULE-8733253949 [1,0,0,1,0,0|2,0,0]=4 721 B10R1.130 CCCC1NC(=O)OC1=O MCULE-7525289732 [1,0,0,1,0,0|2,0,0]=4 722 B10R1.130 CCC[C@@H]1NC(=O)OC1=O MCULE-7186217014 [1,0,0,1,0,0|2,0,0]=4 723 B10R1.130 CCC[C@H]1NC(=O)OC1=O MCULE-7770718428 [1,0,0,1,0,0|2,0,0]=4 724 B10R1.130 CCNC1CC(=O)NC1=O MCULE-4908541972 [1,0,0,1,0,0|2,0,0]=4 725 B10R1.162 O=C1CC(CCCN1)CO MCULE-9468190378 [1,0,0,1,0,0|1,0,1]=4 726 B10R1.162 O=C1CCCCC(N1)CO MCULE-9454883286 [1,0,0,1,0,0|1,0,1]=4 727 B10R1.171 CC1(CCCC(C1)C=O)C MCULE-2204954553 [1,0,0,1,0,0|1,0,1]=4 728 B10R1.227 COC1(CCC1)CC(=O)C MCULE-6260596277 [1,0,0,1,0,0|2,0,0]=4 729 B10R1.4 C=CCC1CCCCC1=O MCULE-5192402567 [1,0,0,1,0,0|1,0,1]=4 730 B10R1.4 C=CCC1CCCOC1=O MCULE-4559726552 [1,0,0,1,0,0|0,0,1]=3 731 B10R1.4 CCCC1CCCCC1=O MCULE-3320705054 [1,0,0,1,0,0|1,0,1]=4 732 B10R1.4 O=CNC1CCCCC1=O MCULE-8243533487 [1,0,0,1,0,0|2,0,0]=4 733 B10R1.58 CN1CC(CC1=O)C(=O)Cl MCULE-9051911562 [1,0,0,1,0,0|2,0,0]=4 734 B10R1.58 CN1CC(CC1=O)C(=O)N MCULE-2567228609 [1,0,0,1,0,0|2,0,0]=4 735 B10R1.58 CN1CC(CC1=O)C(=O)O MCULE-2604682023 [1,0,0,1,0,0|1,0,0]=3 736 B10R1.58 CN1CC(NC1=O)C(=O)O MCULE-5672121272 [1,0,0,1,0,0|2,0,0]=4 737 B10R1.58 CN1CC(OC1=O)C(=O)O MCULE-1158187923 [1,0,0,1,0,0|2,0,0]=4 738 B10R1.58 CN1C[C@@H](CC1=O)C(=O)O MCULE-4410278134 [1,0,0,1,0,0|1,0,0]=3 739 B10R1.58 CN1C[C@H](NC1=O)C(=O)O MCULE-2436172057 [1,0,0,1,0,0|2,0,0]=4 740 B10R1.58 CN1C[C@H](NC1=O)C(=O)O MCULE-8618404133 [1,0,0,1,0,0|2,0,0]=4 741 B10R1.58 O=C(O)C1CC(=O)N(C1)O MCULE-1951815385 [1,0,0,1,0,0|2,0,0]=4 742 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-3594620408 [1,0,0,1,0,0|2,0,0]=4 743 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-7616817872 [1,0,0,1,0,0|2,0,0]=4 744 B10R1.58 O=C1NC(CC1F)C(=O)O MCULE-5782471146 [1,0,0,1,0,0|2,0,0]=4 745 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-5667846232 [1,0,0,1,0,0|2,0,0]=4 746 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-8319847079 [1,0,0,1,0,0|2,0,0]=4 747 B10R1.113 CC(=O)C1CCCN(C1)C MCULE-4171786992 [1,0,0,1,0,0|2,0,0]=4 748 B10R1.113 CC(=O)C1CCCN(C1)C MCULE-6409364695 [1,0,0,1,0,0|2,0,0]=4 749 B10R1.113 CC(=O)C1CCNC(=O)C1 MCULE-9774471516 [1,0,0,1,0,0|2,0,0]=4 750 B10R1.113 CC(=O)N1CCCC(=O)C1 MCULE-7455044173 [1,0,0,1,0,0|2,0,0]=4 751 B10R1.113 CC1=CCCC(C1)C(=O)O MCULE-1528958679 [1,0,0,1,0,0|0,0,1]=3 752 B10R1.113 CC1=NCCC(N1)C(=O)O MCULE-8417553503 [1,0,0,1,0,0|2,0,0]=4 753 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O MCULE-2656568536 [1,0,0,1,0,0|2,0,0]=4 754 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O MCULE-4918579312 [1,0,0,1,0,0|2,0,0]=4 755 B10R1.113 CC1CC(CCN1)C(=O)O MCULE-7720743223 [1,0,0,1,0,0|1,0,1]=4 756 B10R1.113 CC1CC(CCN1)C(=O)O MCULE-8584436669 [1,0,0,1,0,0|1,0,1]=4 757 B10R1.113 CC1CC(CCO1)C(=O)O MCULE-8051149188 [1,0,0,1,0,0|0,0,2]=4 758 B10R1.113 CC1CCCC(C1)C(=O)O MCULE-1709216331 [1,0,0,1,0,0|0,0,1]=3 759 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-2752928027 [1,0,0,1,0,0|1,0,1]=4 760 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7361502591 [1,0,0,1,0,0|1,0,1]=4 761 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7906995060 [1,0,0,1,0,0|1,0,1]=4 762 B10R1.113 CC1CCCC(O1)C(=O)O MCULE-2545962496 [1,0,0,1,0,0|1,0,1]=4 763 B10R1.113 CC1CCNC(C1)C(=O)O MCULE-7170086856 [1,0,0,1,0,0|1,0,1]=4 764 B10R1.113 CC1CNCC(C1)C(=O)O MCULE-6208683659 [1,0,0,1,0,0|1,0,0]=3 765 B10R1.113 CC1CNCC(O1)C(=O)O MCULE-4851002529 [1,0,0,1,0,0|2,0,0]=4 766 B10R1.113 CC1COCC(N1)C(=O)O MCULE-6739051094 [1,0,0,1,0,0|2,0,0]=4 767 B10R1.113 CN1CCCC(C1)C(=O)Cl MCULE-2256974113 [1,0,0,1,0,0|2,0,0]=4 768 B10R1.113 CN1CCCC(C1)C(=O)Cl MCULE-6072454792 [1,0,0,1,0,0|2,0,0]=4 769 B10R1.113 CN1CCCC(C1)C(=O)N MCULE-2482020070 [1,0,0,1,0,0|2,0,0]=4 770 B10R1.113 CN1CCCC(C1)C(=O)O MCULE-2577677138 [1,0,0,1,0,0|1,0,0]=3 771 B10R1.113 CN1CCCC(C1)C(=O)O MCULE-9093982856 [1,0,0,1,0,0|1,0,0]=3 772 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-3472059995 [1,0,0,1,0,0|1,0,0]=3 773 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-3661518240 [1,0,0,1,0,0|1,0,0]=3 774 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-4244061094 [1,0,0,1,0,0|1,0,0]=3 775 B10R1.113 CN1CCC[C@H](C1)C(=O)O MCULE-1368409828 [1,0,0,1,0,0|1,0,0]=3 776 B10R1.113 CN1CCC[C@H](C1)C(=O)O MCULE-2079226353 [1,0,0,1,0,0|1,0,0]=3 777 B10R1.113 CN1CCNC(C1)C(=O)O MCULE-2247528725 [1,0,0,1,0,0|2,0,0]=4 778 B10R1.113 CN1CCNC(C1)C(=O)O MCULE-9094338983 [1,0,0,1,0,0|2,0,0]=4 779 B10R1.113 CN1CCN[C@@H](C1)C(=O)O MCULE-5238925665 [1,0,0,1,0,0|2,0,0]=4 780 B10R1.113 CN1CCN[C@@H](C1)C(=O)O MCULE-6341643779 [1,0,0,1,0,0|2,0,0]=4 781 B10R1.113 CN1CCN[C@H](C1)C(=O)O MCULE-1518073789 [1,0,0,1,0,0|2,0,0]=4 782 B10R1.113 CN1CCN[C@H](C1)C(=O)O MCULE-8312508233 [1,0,0,1,0,0|2,0,0]=4 783 B10R1.113 CN1CCOC(C1)C(=O)O MCULE-5046751827 [1,0,0,1,0,0|2,0,0]=4 784 B10R1.113 CN1CCOC(C1)C(=O)O MCULE-8819512874 [1,0,0,1,0,0|2,0,0]=4 785 B10R1.113 C[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-4534640450 [1,0,0,1,0,0|0,0,1]=3 786 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6827473516 [1,0,0,1,0,0|1,0,1]=4 787 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6916060172 [1,0,0,1,0,0|1,0,1]=4 788 B10R1.113 C[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2658835025 [1,0,0,1,0,0|0,0,1]=3 789 B10R1.113 C[C@@H]1CCN[C@@H](C1)C(=O)O MCULE-6382189211 [1,0,0,1,0,0|1,0,1]=4 790 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-3220705725 [1,0,0,1,0,0|1,0,1]=4 791 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-4368703620 [1,0,0,1,0,0|1,0,1]=4 792 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-5852226290 [1,0,0,1,0,0|1,0,1]=4 793 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-8448888283 [1,0,0,1,0,0|1,0,1]=4 794 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O MCULE-6787897599 [1,0,0,1,0,0|1,0,0]=3 795 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O MCULE-7011808441 [1,0,0,1,0,0|1,0,0]=3 796 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-1640808929 [1,0,0,1,0,0|2,0,0]=4 797 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-5152957457 [1,0,0,1,0,0|2,0,0]=4 798 B10R1.113 C[C@@H]1CNC[C@H](C1)C(=O)O MCULE-8762702780 [1,0,0,1,0,0|1,0,0]=3 799 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O MCULE-6500795104 [1,0,0,1,0,0|1,0,1]=4 800 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O MCULE-9135304432 [1,0,0,1,0,0|1,0,1]=4 801 B10R1.113 C[C@H]1CCC[C@@H](C1)C(=O)O MCULE-2151963828 [1,0,0,1,0,0|0,0,1]=3 802 B10R1.113 C[C@H]1CCC[C@H](C1)C(=O)O MCULE-9191189376 [1,0,0,1,0,0|0,0,1]=3 803 B10R1.113 C[C@H]1CCN[C@@H](C1)C(=O)O MCULE-3797871093 [1,0,0,1,0,0|1,0,1]=4 804 B10R1.113 C[C@H]1CCN[C@@H](C1)C(=O)O MCULE-3813657182 [1,0,0,1,0,0|1,0,1]=4 805 B10R1.113 C[C@H]1CCN[C@H](C1)C(=O)O MCULE-8048617173 [1,0,0,1,0,0|1,0,1]=4 806 B10R1.113 C[C@H]1CNC[C@@H](C1)C(=O)O MCULE-9182357479 [1,0,0,1,0,0|1,0,0]=3 807 B10R1.113 C[C@H]1CNC[C@H](C1)C(=O)O MCULE-7208949681 [1,0,0,1,0,0|1,0,0]=3 808 B10R1.113 C[C@H]1C[C@H](CCN1)C(=O)O MCULE-3777490064 [1,0,0,1,0,0|1,0,1]=4 809 B10R1.113 C[C@H]1C[C@H](CCN1)C(=O)O MCULE-7587755997 [1,0,0,1,0,0|1,0,1]=4 810 B10R1.113 NC(=O)C1CCCC(=O)C1 MCULE-3502536681 [1,0,0,1,0,0|1,0,0]=3 811 B10R1.113 NC1C=CCC(C1)C(=O)O MCULE-4308750395 [1,0,0,1,0,0|1,0,1]=4 812 B10R1.113 NC1C=CCC(C1)C(=O)O MCULE-5984594154 [1,0,0,1,0,0|1,0,1]=4 813 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-1721377644 [1,0,0,1,0,0|1,0,1]=4 814 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-3598251126 [1,0,0,1,0,0|1,0,1]=4 815 B10R1.113 N[C@@H]1C=CCC(C1)C(=O)O MCULE-5349723370 [1,0,0,1,0,0|1,0,1]=4 816 B10R1.113 N[C@@H]1C=CCC(C1)C(=O)O MCULE-8912699325 [1,0,0,1,0,0|1,0,1]=4 817 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5563204448 [1,0,0,1,0,0|1,0,1]=4 818 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5798146682 [1,0,0,1,0,0|1,0,1]=4 819 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-8105249419 [1,0,0,1,0,0|1,0,1]=4 820 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-9161171059 [1,0,0,1,0,0|1,0,1]=4 821 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2713838733 [1,0,0,1,0,0|1,0,1]=4 822 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2810146308 [1,0,0,1,0,0|1,0,1]=4 823 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-3141762073 [1,0,0,1,0,0|1,0,1]=4 824 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-6970045085 [1,0,0,1,0,0|1,0,1]=4 825 B10R1.113 N[C@H]1C=CCC(C1)C(=O)O MCULE-1166952810 [1,0,0,1,0,0|1,0,1]=4 826 B10R1.113 N[C@H]1C=CCC(C1)C(=O)O MCULE-4761766781 [1,0,0,1,0,0|1,0,1]=4 827 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-3283868687 [1,0,0,1,0,0|1,0,1]=4 828 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-5009823003 [1,0,0,1,0,0|1,0,1]=4 829 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-6716939610 [1,0,0,1,0,0|1,0,1]=4 830 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-8264766500 [1,0,0,1,0,0|1,0,1]=4 831 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-1016300044 [1,0,0,1,0,0|1,0,1]=4 832 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-2730367375 [1,0,0,1,0,0|1,0,1]=4 833 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3326410223 [1,0,0,1,0,0|1,0,1]=4 834 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3370817462 [1,0,0,1,0,0|1,0,1]=4 835 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3467671648 [1,0,0,1,0,0|1,0,1]=4 836 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-7929171022 [1,0,0,1,0,0|1,0,1]=4 837 B10R1.113 O=C(O)C1CCCC(C1)F MCULE-2589850350 [1,0,0,1,0,0|1,0,1]=4 838 B10R1.113 O=C(O)C1CCCC(C1)O MCULE-9068909742 [1,0,0,1,0,0|0,0,2]=4 839 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-1307689360 [1,0,0,1,0,0|2,0,0]=4 840 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-6671293935 [1,0,0,1,0,0|2,0,0]=4 841 B10R1.113 O=C(O)C1CS(=O)CCN1 MCULE-2725116552 [1,0,0,1,0,0|2,0,0]=4 842 B10R1.113 O=C(O)C1CS(=O)CCN1 MCULE-7493333189 [1,0,0,1,0,0|2,0,0]=4 843 B10R1.113 O=C(O)[C@@H]1CC=C[C@@H](C1)O MCULE-3205925226 [1,0,0,1,0,0|1,0,1]=4 844 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-1509835362 [1,0,0,1,0,0|0,0,2]=4 845 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-2282540668 [1,0,0,1,0,0|0,0,2]=4 846 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-2678948022 [1,0,0,1,0,0|0,0,2]=4 847 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-6048774329 [1,0,0,1,0,0|0,0,2]=4 848 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-1308626340 [1,0,0,1,0,0|0,0,2]=4 849 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-5789638591 [1,0,0,1,0,0|0,0,2]=4 850 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3370494896 [1,0,0,1,0,0|0,0,2]=4 851 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3728932412 [1,0,0,1,0,0|0,0,2]=4 852 B10R1.113 O=C1C=C(CCC1)C(=O)O MCULE-6477437107 [1,0,0,1,0,0|0,0,2]=4 853 B10R1.113 O=C1C=CCC(C1)C(=O)O MCULE-3511234259 [1,0,0,1,0,0|0,0,2]=4 854 B10R1.113 O=C1CC(CCN1)C(=O)O MCULE-8037650535 [1,0,0,1,0,0|1,0,0]=3 855 B10R1.113 O=C1CC(CNN1)C(=O)O MCULE-4653652849 [1,0,0,1,0,0|2,0,0]=4 856 B10R1.113 O=C1CC(CNN1)C(=O)O MCULE-5555795045 [1,0,0,1,0,0|2,0,0]=4 857 B10R1.113 O=C1CCCC(C1)B(O)O MCULE-4346596975 [1,0,0,1,0,0|1,0,1]=4 858 B10R1.113 O=C1CCCC(C1)C(=O)O MCULE-6286773194 [1,0,0,1,0,0|0,0,0]=2 859 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9444010827 [1,0,0,1,0,0|1,0,0]=3 860 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9607599809 [1,0,0,1,0,0|1,0,0]=3 861 B10R1.113 O=C1CCC[C@@H](C1)C(=O)O MCULE-5396925186 [1,0,0,1,0,0|0,0,0]=2 862 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-3091454903 [1,0,0,1,0,0|1,0,0]=3 863 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-5853502175 [1,0,0,1,0,0|1,0,0]=3 864 B10R1.113 O=C1CCC[C@H](C1)C(=O)O MCULE-8936667281 [1,0,0,1,0,0|0,0,0]=2 865 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-6509598163 [1,0,0,1,0,0|1,0,0]=3 866 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-7646943695 [1,0,0,1,0,0|1,0,0]=3 867 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-6916176336 [1,0,0,1,0,0|1,0,0]=3 868 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-9262761817 [1,0,0,1,0,0|1,0,0]=3 869 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-1115212106 [1,0,0,1,0,0|1,0,0]=3 870 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5896394571 [1,0,0,1,0,0|1,0,0]=3 871 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5937606037 [1,0,0,1,0,0|1,0,0]=3 872 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-7073629862 [1,0,0,1,0,0|1,0,0]=3 873 B10R1.113 O=C1CNCC(N1)C(=O)O MCULE-4117148380 [1,0,0,1,0,0|2,0,0]=4 874 B10R1.113 O=C1CNC[C@@H](N1)C(=O)O MCULE-3006600193 [1,0,0,1,0,0|2,0,0]=4 875 B10R1.113 O=C1CNC[C@H](N1)C(=O)O MCULE-4345470043 [1,0,0,1,0,0|2,0,0]=4 876 B10R1.113 O=C1CSCC(N1)C(=O)O MCULE-7630386798 [1,0,0,1,0,0|2,0,0]=4 877 B10R1.113 O=C1CSC[C@H](N1)C(=O)O MCULE-1412113570 [1,0,0,1,0,0|2,0,0]=4 878 B10R1.113 O=C1C[C@@H](CCN1)C(=O)O MCULE-5205458306 [1,0,0,1,0,0|1,0,0]=3 879 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-6254957663 [1,0,0,1,0,0|1,0,0]=3 880 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-9670666580 [1,0,0,1,0,0|1,0,0]=3 881 B10R1.113 O=C1NC(CCO1)C(=O)O MCULE-4281750243 [1,0,0,1,0,0|2,0,0]=4 882 B10R1.113 O=C1NCCC(N1)C(=O)O MCULE-6196729766 [1,0,0,1,0,0|2,0,0]=4 883 B10R1.113 O=C1NCCC(O1)C(=O)O MCULE-1272116406 [1,0,0,1,0,0|2,0,0]=4 884 B10R1.113 O=C1N[C@@H](CCO1)C(=O)O MCULE-7121690603 [1,0,0,1,0,0|2,0,0]=4 885 B10R1.113 [C@@H]1(CCCC(N1)C)C(=O)O MCULE-7930307305 [1,0,0,1,0,0|1,0,1]=4 886 B10R1.113 [C@H]1(CCCN(C1)C)C(=O)O MCULE-4364645223 [1,0,0,1,0,0|1,0,0]=3 887 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-2539251802 [1,0,0,1,0,0|1,0,1]=4 888 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-4407634771 [1,0,0,1,0,0|1,0,1]=4 889 B10R1.290 CCOC(C(=O)O)C1CC1 MCULE-4609509575 [1,0,0,1,0,0|1,0,1]=4 890 B10R1.348 CC(=O)C1CCCCCC1 MCULE-9324503120 [1,0,0,1,0,0|1,0,1]=4 891 B10R1.348 NC(=O)C1CCCCCC1 MCULE-2005648941 [1,0,0,1,0,0|1,0,1]=4 892 B10R1.348 NC(=O)C1CCCCNC1 MCULE-6748059498 [1,0,0,1,0,0|2,0,0]=4 893 B10R1.348 NC(=O)C1CCCCNC1 MCULE-8697140088 [1,0,0,1,0,0|2,0,0]=4 894 B10R1.348 O=C(Cl)C1CCCCCC1 MCULE-4659434885 [1,0,0,1,0,0|1,0,1]=4 895 B10R1.348 O=C(O)C1CCCCCC1 MCULE-7903672891 [1,0,0,1,0,0|0,0,1]=3 896 B10R1.348 O=C(O)C1CCCCCN1 MCULE-2741684183 [1,0,0,1,0,0|1,0,1]=4 897 B10R1.348 O=C(O)C1CCCCCN1 MCULE-7374703751 [1,0,0,1,0,0|1,0,1]=4 898 B10R1.348 O=C(O)C1CCCCNC1 MCULE-3392190626 [1,0,0,1,0,0|1,0,0]=3 899 B10R1.348 O=C(O)C1CCCCNC1 MCULE-7795043703 [1,0,0,1,0,0|1,0,0]=3 900 B10R1.348 O=C(O)C1CCCNCC1 MCULE-7690110773 [1,0,0,1,0,0|1,0,1]=4 901 B10R1.348 O=C(O)C1CCCNCC1 MCULE-9766781803 [1,0,0,1,0,0|1,0,1]=4 902 B10R1.348 O=C(O)C1CCCOCC1 MCULE-9318516869 [1,0,0,1,0,0|0,0,2]=4 903 B10R1.348 O=C(O)C1CNCCCN1 MCULE-3558230210 [1,0,0,1,0,0|2,0,0]=4 904 B10R1.348 O=C(O)C1CNCCCN1 MCULE-6835715048 [1,0,0,1,0,0|2,0,0]=4 905 B10R1.348 O=C(O)C1CNCCCO1 MCULE-2282415374 [1,0,0,1,0,0|2,0,0]=4 906 B10R1.348 O=C(O)C1CNCCCO1 MCULE-3064687044 [1,0,0,1,0,0|2,0,0]=4 907 B10R1.348 O=C(O)C1COCCOC1 MCULE-7686530449 [1,0,0,1,0,0|2,0,0]=4 908 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-2016813857 [1,0,0,1,0,0|1,0,1]=4 909 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-2504826586 [1,0,0,1,0,0|1,0,1]=4 910 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-4939523441 [1,0,0,1,0,0|1,0,1]=4 911 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-8497154031 [1,0,0,1,0,0|1,0,1]=4 912 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-1709248067 [1,0,0,1,0,0|1,0,1]=4 913 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-4607599990 [1,0,0,1,0,0|1,0,1]=4 914 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-4947785395 [1,0,0,1,0,0|1,0,1]=4 915 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-8502245212 [1,0,0,1,0,0|1,0,1]=4 916 B10R1.348 O=C(O)[C@H]1CCCNCC1 MCULE-2658567129 [1,0,0,1,0,0|1,0,1]=4 917 B10R1.381 C=CCC1(CCC1)C(=O)O MCULE-4876623874 [1,0,0,1,0,0|0,0,1]=3 918 B10R1.381 C=CCC1(CNC1)C(=O)O MCULE-8610429059 [1,0,0,1,0,0|1,0,1]=4 919 B10R1.381 C=CCC1(CNC1)C(=O)O MCULE-9716733656 [1,0,0,1,0,0|1,0,1]=4 920 B10R1.381 CCCC1(CCC1)C(=O)O MCULE-8526884552 [1,0,0,1,0,0|0,0,1]=3 921 B10R1.381 CCOC1(CCC1)C(=O)O MCULE-7740928333 [1,0,0,1,0,0|1,0,1]=4 922 B10R1.381 CCOC1(CNC1)C(=O)O MCULE-4696253234 [1,0,0,1,0,0|2,0,0]=4 923 B10R1.381 CCOC1(CNC1)C(=O)O MCULE-7655133096 [1,0,0,1,0,0|2,0,0]=4 924 B10R1.381 COCC1(CCC1)C(=O)O MCULE-8526778585 [1,0,0,1,0,0|1,0,0]=3 925 B10R1.381 N#CCC1(CCC1)C(=O)O MCULE-1795898166 [1,0,0,1,0,0|1,0,1]=4 926 B10R1.381 NCCC1(CCC1)C(=O)O MCULE-2668268208 [1,0,0,1,0,0|1,0,1]=4 927 B10R1.381 NCCC1(CCC1)C(=O)O MCULE-4514960092 [1,0,0,1,0,0|1,0,1]=4 928 B10R1.381 O=C(O)C1(CCC1)CCF MCULE-9718996460 [1,0,0,1,0,0|1,0,1]=4 929 B10R1.30 CC[C@@H]1NC(=O)CNC1=O MCULE-4523744319 [1,0,0,1,0,0|2,0,0]=4 930 B10R1.59 C=C1C[C@@H]([C@@H](C1)C(=O)O)N MCULE-9822470688 [1,0,0,1,0,0|2,0,0]=4 931 B10R1.59 CC1CC(=O)NC1C(=O)O MCULE-1142843058 [1,0,0,1,0,0|1,0,0]=3 932 B10R1.59 CC1CC(C(O1)C)C(=O)O MCULE-4495071251 [1,0,0,1,0,0|0,0,2]=4 933 B10R1.59 CC1NC(=O)CC1C(=O)O MCULE-1109266882 [1,0,0,1,0,0|1,0,0]=3 934 B10R1.59 CC1OC(=O)NC1C(=O)O MCULE-7595794618 [1,0,0,1,0,0|2,0,0]=4 935 B10R1.59 CN1NC(=O)CC1C(=O)O MCULE-1720509184 [1,0,0,1,0,0|2,0,0]=4 936 B10R1.59 CN1NC(=O)CC1C(=O)O MCULE-3806344360 [1,0,0,1,0,0|2,0,0]=4 937 B10R1.59 C[C@@H]1CC(=O)N[C@@H]1C(=O)O MCULE-5687745727 [1,0,0,1,0,0|1,0,0]=3 938 B10R1.59 C[C@@H]1CC(=O)N[C@H]1C(=O)O MCULE-3978079245 [1,0,0,1,0,0|1,0,0]=3 939 B10R1.59 C[C@H]1CC(=O)N[C@@H]1C(=O)O MCULE-1352855018 [1,0,0,1,0,0|1,0,0]=3 940 B10R1.59 C[C@H]1CC(=O)N[C@H]1C(=O)O MCULE-6205979547 [1,0,0,1,0,0|1,0,0]=3 941 B10R1.234 N#CC1(CC(=O)C1)C(=O)O MCULE-7934005669 [1,0,0,1,0,0|1,0,1]=4 942 B10R1.282 CC1C(C1C(=O)O)C(=O)O MCULE-6282240195 [1,0,0,1,0,0|1,0,0]=3 943 B10R1.359 CC1(CCC(C1)C(=O)O)C MCULE-9978136872 [1,0,0,1,0,0|1,0,1]=4 944 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 MCULE-3551776261 [1,0,0,1,0,0|2,0,0]=4 945 B10R1.361 CC(=O)N1CCC1C(=O)O MCULE-4216069349 [1,0,0,1,0,0|1,0,0]=3 946 B10R1.361 CC(=O)N1CC[C@H]1C(=O)O MCULE-3086147567 [1,0,0,1,0,0|1,0,0]=3 947 B10R1.361 NC(=O)C1CCC1C(=O)O MCULE-3903818494 [1,0,0,1,0,0|1,0,0]=3 948 B10R1.361 NC(=O)[C@H]1CC[C@H]1C(=O)N MCULE-7732298882 [1,0,0,1,0,0|2,0,0]=4 949 B10R1.361 O=C(O)C1CCC1C(=O)O MCULE-6136792366 [1,0,0,1,0,0|1,0,0]=3 950 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-2743190923 [1,0,0,1,0,0|1,0,0]=3 951 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-6841335407 [1,0,0,1,0,0|1,0,0]=3 952 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-3432000151 [1,0,0,1,0,0|1,0,0]=3 953 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-6937334278 [1,0,0,1,0,0|1,0,0]=3 954 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O MCULE-8609403409 [1,0,0,1,0,0|1,0,0]=3 955 B10R1.361 [C@@H]1(CC[C@@H]1C(=O)O)C(=O)O MCULE-4637916300 [1,0,0,1,0,0|1,0,0]=3 956 B10R1.442 CC(=O)NC1(CC1)C(=O)O MCULE-6784900310 [1,0,0,1,0,0|1,0,0]=3 957 B10R1.442 CC(=O)OC1(CC1)C(=O)O MCULE-7634246100 [1,0,0,1,0,0|1,0,0]=3 958 B10R1.442 CC(C)CC1(CC1)C(=O)O MCULE-1543671076 [1,0,0,1,0,0|1,0,1]=4 959 B10R1.442 CN(C)CC1(CC1)C(=O)O MCULE-2228137213 [1,0,0,1,0,0|2,0,0]=4 960 B10R1.442 CN(C)CC1(CC1)C(=O)O MCULE-2894449552 [1,0,0,1,0,0|2,0,0]=4 961 B10R1.442 NC(=O)NC1(CC1)C(=O)O MCULE-5553928485 [1,0,0,1,0,0|2,0,0]=4 962 B10R1.442 O=C(O)CC1(CC1)C(=O)O MCULE-5389842845 [1,0,0,1,0,0|1,0,0]=3 963 B10R1.469 CCC(CC1CC1)C(=O)O MCULE-1890976497 [1,0,0,1,0,0|1,0,1]=4 964 B10R1.61 CC(=O)C1CCCCC1=O MCULE-4487262627 [0,0,0,1,1,0|1,0,0]=3 965 B10R1.61 CC(=O)N1CCCCC1=O MCULE-2016057739 [0,0,0,1,1,0|2,0,0]=4 966 B10R1.61 CC1=C(CCCC1)C(=O)O MCULE-2899177590 [0,0,0,1,1,0|1,0,1]=4 967 B10R1.61 CC1=C(CCCO1)C(=O)O MCULE-1778977864 [0,0,0,1,1,0|0,0,2]=4 968 B10R1.61 CC1CCCCC1C(=O)O MCULE-3305682191 [0,0,0,1,1,0|1,0,1]=4 969 B10R1.61 CC1NCCCC1C(=O)O MCULE-1657397096 [0,0,0,1,1,0|1,0,1]=4 970 B10R1.61 CC1NCCCC1C(=O)O MCULE-3297923255 [0,0,0,1,1,0|1,0,1]=4 971 B10R1.61 CC1OCCCC1C(=O)O MCULE-1412449239 [0,0,0,1,1,0|0,0,2]=4 972 B10R1.61 CN1CCCCC1C(=O)O MCULE-3456275150 [0,0,0,1,1,0|2,0,0]=4 973 B10R1.61 CN1CCCCC1C(=O)O MCULE-6372652181 [0,0,0,1,1,0|2,0,0]=4 974 B10R1.61 CN1CCCCC1C(=O)O MCULE-7834522939 [0,0,0,1,1,0|2,0,0]=4 975 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-2245294368 [0,0,0,1,1,0|2,0,0]=4 976 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-2258119449 [0,0,0,1,1,0|2,0,0]=4 977 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-4757725445 [0,0,0,1,1,0|2,0,0]=4 978 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-9648696079 [0,0,0,1,1,0|2,0,0]=4 979 B10R1.61 CN1CCCC[C@H]1C(=O)O MCULE-5396822712 [0,0,0,1,1,0|2,0,0]=4 980 B10R1.61 CN1CCCC[C@H]1C(=O)O MCULE-5529863786 [0,0,0,1,1,0|2,0,0]=4 981 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O MCULE-5453839569 [0,0,0,1,1,0|1,0,1]=4 982 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O MCULE-8712948607 [0,0,0,1,1,0|1,0,1]=4 983 B10R1.61 C[C@@H]1NCCC[C@H]1C(=O)O MCULE-4097586923 [0,0,0,1,1,0|1,0,1]=4 984 B10R1.61 C[C@H]1NCCC[C@@H]1C(=O)O MCULE-1705027594 [0,0,0,1,1,0|1,0,1]=4 985 B10R1.61 C[C@H]1NCCC[C@H]1C(=O)O MCULE-8221283836 [0,0,0,1,1,0|1,0,1]=4 986 B10R1.61 C[C@H]1NCCC[C@H]1C(=O)O MCULE-8542699735 [0,0,0,1,1,0|1,0,1]=4 987 B10R1.61 C[C@H]1OCCC[C@H]1C(=O)O MCULE-9860065784 [0,0,0,1,1,0|0,0,2]=4 988 B10R1.61 NC(=O)C1CCCCC1=O MCULE-4980594289 [0,0,0,1,1,0|1,0,0]=3 989 B10R1.61 NC(=O)C1CCCNC1=O MCULE-9308439620 [0,0,0,1,1,0|2,0,0]=4 990 B10R1.61 NC(=O)C1CNCCC1=O MCULE-5445807694 [0,0,0,1,1,0|2,0,0]=4 991 B10R1.61 NC1=C(CCCC1)C(=O)O MCULE-4360190675 [0,0,0,1,1,0|1,0,1]=4 992 B10R1.61 NC1CCCCC1C(=O)O MCULE-4736252154 [0,0,0,1,1,0|1,0,1]=4 993 B10R1.61 NC1CCCCC1C(=O)O MCULE-6203238767 [0,0,0,1,1,0|1,0,1]=4 994 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-1790728170 [0,0,0,1,1,0|1,0,1]=4 995 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-3150171920 [0,0,0,1,1,0|1,0,1]=4 996 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-4600025587 [0,0,0,1,1,0|1,0,1]=4 997 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-9708582870 [0,0,0,1,1,0|1,0,1]=4 998 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-3088249896 [0,0,0,1,1,0|1,0,1]=4 999 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-4663931442 [0,0,0,1,1,0|1,0,1]=4 1000 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-6017464144 [0,0,0,1,1,0|1,0,1]=4 1001 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-9507759371 [0,0,0,1,1,0|1,0,1]=4 1002 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-2040720562 [0,0,0,1,1,0|1,0,1]=4 1003 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-5411687824 [0,0,0,1,1,0|1,0,1]=4 1004 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-6353451287 [0,0,0,1,1,0|1,0,1]=4 1005 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-9744443114 [0,0,0,1,1,0|1,0,1]=4 1006 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-1070315128 [0,0,0,1,1,0|1,0,1]=4 1007 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-2665445473 [0,0,0,1,1,0|1,0,1]=4 1008 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-5776301031 [0,0,0,1,1,0|1,0,1]=4 1009 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-7183400727 [0,0,0,1,1,0|1,0,1]=4 1010 B10R1.61 O=C(O)C1=C(CCCC1)Br MCULE-4432967237 [0,0,0,1,1,0|1,0,1]=4 1011 B10R1.61 O=C(O)C1=C(CCCC1)Cl MCULE-4191246644 [0,0,0,1,1,0|1,0,1]=4 1012 B10R1.61 O=C(O)C1CCCCC1=O MCULE-1684765148 [0,0,0,1,1,0|0,0,0]=2 1013 B10R1.61 O=C(O)C1CCCCC1F MCULE-9495362772 [0,0,0,1,1,0|1,0,1]=4 1014 B10R1.61 O=C(O)C1CCCCC1O MCULE-4502285714 [0,0,0,1,1,0|0,0,2]=4 1015 B10R1.61 O=C(O)C1CCCCN1O MCULE-1338694603 [0,0,0,1,1,0|1,0,1]=4 1016 B10R1.61 O=C(O)C1CCCNC1=O MCULE-5733950200 [0,0,0,1,1,0|1,0,0]=3 1017 B10R1.61 O=C(O)C1CNCCC1=O MCULE-3624462455 [0,0,0,1,1,0|1,0,0]=3 1018 B10R1.61 O=C(O)C1NCCNC1=O MCULE-5861499693 [0,0,0,1,1,0|2,0,0]=4 1019 B10R1.61 O=C([O-])C1CCCCC1=O MCULE-2483955816 [0,0,0,1,1,0|0,0,1]=3 1020 B10R1.61 O=C1CCCCC1N(=O)=O MCULE-3142791707 [0,0,0,1,1,0|1,0,1]=4 1021 B10R1.111 O=C(O)C1(CC1F)C(=O)O MCULE-8879632622 [0,0,0,1,1,0|2,0,0]=4 1022 B10R1.128 CC1(CCCC1C(=O)O)C MCULE-4580682391 [0,0,0,1,1,0|1,0,1]=4 1023 B10R1.128 CC1(CCCC1C(=O)O)N MCULE-6959799055 [0,0,0,1,1,0|1,0,1]=4 1024 B10R1.128 CC1(CCCC1C(=O)O)N MCULE-7529713765 [0,0,0,1,1,0|1,0,1]=4 1025 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N MCULE-2638855066 [0,0,0,1,1,0|1,0,1]=4 1026 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N MCULE-7472901526 [0,0,0,1,1,0|1,0,1]=4 1027 B10R1.128 C[N+]1(CCCC1C(=O)O)C MCULE-4111590223 [0,0,0,1,1,0|2,0,0]=4 1028 B10R1.128 C[N+]1(CCC[C@H]1C(=O)O)C MCULE-8126384491 [0,0,0,1,1,0|2,0,0]=4 1029 B10R1.128 O=C(O)C1CCCS1(=O)=O MCULE-6333477940 [0,0,0,1,1,0|2,0,0]=4 1030 B10R1.187 CCCC1C(=O)NN=C1C MCULE-2533615455 [0,0,0,1,1,0|2,0,0]=4 1031 B10R1.187 NCCN1C(=O)COC1=O MCULE-1481126104 [0,0,0,1,1,0|2,0,0]=4 1032 B10R1.187 NCCN1C(=O)COC1=O MCULE-4962480521 [0,0,0,1,1,0|2,0,0]=4 1033 B10R1.357 CN(C)C(C(=O)O)C1CC1 MCULE-1393608765 [0,0,0,1,1,0|2,0,0]=4 1034 B10R1.357 CN(C)[C@H](C(=O)O)C1CC1 MCULE-9576218231 [0,0,0,1,1,0|2,0,0]=4 1035 B10R1.357 NC(=O)C(C(=O)N)C1CC1 MCULE-1490607484 [0,0,0,1,1,0|2,0,0]=4 1036 B10R1.357 O=C(Cl)C(C(=O)Cl)C1CC1 MCULE-6266443352 [0,0,0,1,1,0|2,0,0]=4 1037 B10R1.357 O=C(O)C(C(=O)O)C1CC1 MCULE-7949932488 [0,0,0,1,1,0|1,0,0]=3 1038 B10R1.364 CC(C)C1(CCC1)C(=O)O MCULE-5390430803 [0,0,0,1,1,0|1,0,1]=4 1039 B10R1.364 CN(C)C1(CCC1)C(=O)O MCULE-2624761605 [0,0,0,1,1,0|2,0,0]=4 1040 B10R1.364 CN(C)C1(CCC1)C(=O)O MCULE-5134554212 [0,0,0,1,1,0|2,0,0]=4 1041 B10R1.364 NC(=O)C1(CCC1)C(=O)N MCULE-2885066492 [0,0,0,1,1,0|2,0,0]=4 1042 B10R1.364 NC(=O)C1(CCC1)C(=O)O MCULE-4648387871 [0,0,0,1,1,0|1,0,0]=3 1043 B10R1.364 O=C(O)C1(CCC1)C(=O)O MCULE-2598974796 [0,0,0,1,1,0|1,0,0]=3 1044 B12R1.101 CC1CC(CC(O1)C)CC(=O)O MCULE-8495492526 [0,0,0,1,0,1|0,0,2]=4 1045 B12R1.392 O=C(O)CN1CCCC1C(=O)O MCULE-3986378820 [0,0,0,1,0,1|2,0,0]=4 1046 B12R1.874 O=C(O)CC1CCCCC(=O)N1 MCULE-9763824152 [0,0,0,1,0,1|1,0,0]=3 1047 B12R1.874 O=C(O)CC1CCCNC(=O)C1 MCULE-2622321919 [0,0,0,1,0,1|1,0,0]=3 1048 B12R1.1821 CC1(CCCC(C1)CC(=O)O)C MCULE-4167404807 [0,0,0,1,0,1|1,0,1]=4 1049 B12R1.1821 O=C(O)CC1CCCS(=O)(=O)C1 MCULE-4900774399 [0,0,0,1,0,1|2,0,0]=4 1050 B12R1.1826 O=C(O)CC1(CCC1)CC(=O)O MCULE-7946056476 [0,0,0,1,0,1|1,0,0]=3 1051 B12R1.125 CC(=O)OCC1CCCCC1=O MCULE-8211145047 [0,0,0,1,0,1|1,0,0]=3 1052 B12R1.125 CC(=O)OCC1NCCNC1=O MCULE-7895602742 [0,0,0,1,0,1|2,0,0]=4 1053 B12R1.125 O=C(O)CCC1CCCCC1=O MCULE-4224119563 [0,0,0,1,0,1|2,0,0]=4 1054 B12R1.258 CC(=O)N1CCCC(C1)C(=O)N MCULE-4080694218 [0,0,0,1,0,1|1,0,0]=3 1055 B12R1.258 CC(=O)N1CCCC(C1)C(=O)O MCULE-2326703264 [0,0,0,1,0,1|0,0,0]=2 1056 B12R1.258 CC(=O)N1CCCC(C1)C(=S)N MCULE-1495119841 [0,0,0,1,0,1|1,1,0]=4 1057 B12R1.258 CC(=O)N1CCC[C@@H](C1)C(=O)O MCULE-2720998952 [0,0,0,1,0,1|0,0,0]=2 1058 B12R1.258 CC(=O)N1CCC[C@@H](C1)C(=O)O MCULE-4356837818 [0,0,0,1,0,1|0,0,0]=2 1059 B12R1.258 CC(=O)N1CCC[C@H](C1)C(=O)O MCULE-4379891928 [0,0,0,1,0,1|0,0,0]=2 1060 B12R1.258 CC(=O)N1CCC[C@H](C1)C(=O)O MCULE-8013678613 [0,0,0,1,0,1|0,0,0]=2 1061 B12R1.258 CC(=O)N1CCNC(C1)C(=O)O MCULE-4696081121 [0,0,0,1,0,1|1,0,0]=3 1062 B12R1.258 CC(=O)N1CCOC(C1)C(=O)O MCULE-6064319726 [0,0,0,1,0,1|1,0,0]=3 1063 B12R1.258 CC(C)N1CCCC(C1)C(=O)O MCULE-8181632552 [0,0,0,1,0,1|1,0,1]=4 1064 B12R1.258 CC(C)N1CCCC(C1)C(=O)O MCULE-8953491391 [0,0,0,1,0,1|1,0,1]=4 1065 B12R1.258 CN(C)C1CCCC(C1)C(=O)O MCULE-2517607993 [0,0,0,1,0,1|2,0,0]=4 1066 B12R1.258 CN(C)[C@H]1CCC[C@H](C1)C(=O)O MCULE-9401048102 [0,0,0,1,0,1|2,0,0]=4 1067 B12R1.258 N=C(N)N1CCCC(C1)C(=O)O MCULE-9318604892 [0,0,0,1,0,1|2,0,0]=4 1068 B12R1.258 NC(=O)C1CCCC(C1)C(=O)O MCULE-2730743019 [0,0,0,1,0,1|1,0,0]=3 1069 B12R1.258 NC(=O)C1CCCN(C1)C(=O)N MCULE-8816717672 [0,0,0,1,0,1|2,0,0]=4 1070 B12R1.258 NC(=O)C1CCC[C@@H](C1)C(=O)O MCULE-6377571763 [0,0,0,1,0,1|1,0,0]=3 1071 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O MCULE-6020689201 [0,0,0,1,0,1|1,0,0]=3 1072 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O MCULE-6379077809 [0,0,0,1,0,1|1,0,0]=3 1073 B12R1.258 O=C(Cl)C1CCCC(C1)C(=O)Cl MCULE-8205315067 [0,0,0,1,0,1|2,0,0]=4 1074 B12R1.258 O=C(O)C1CCCC(C1)C(=O)O MCULE-7196171464 [0,0,0,1,0,1|1,0,0]=3 1075 B12R1.258 O=C(O)C1CCCC(N1)C(=O)O MCULE-1816268674 [0,0,0,1,0,1|1,0,0]=3 1076 B12R1.258 O=C(O)C1CCNC(C1)C(=O)O MCULE-5359047625 [0,0,0,1,0,1|2,0,0]=4 1077 B12R1.258 O=C(O)C1CN(CCO1)C(=O)O MCULE-2737322968 [0,0,0,1,0,1|2,0,0]=4 1078 B12R1.258 O=C(O)C1CNCC(C1)C(=O)O MCULE-2177789382 [0,0,0,1,0,1|2,0,0]=4 1079 B12R1.258 O=C(O)[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-3140137492 [0,0,0,1,0,1|1,0,0]=3 1080 B12R1.258 O=C(O)[C@@H]1CCC[C@H](C1)C(=O)O MCULE-4449782615 [0,0,0,1,0,1|1,0,0]=3 1081 B12R1.258 O=C(O)[C@@H]1CCC[C@H](C1)C(=O)O MCULE-8158708245 [0,0,0,1,0,1|1,0,0]=3 1082 B12R1.258 O=C(O)[C@@H]1CNC[C@@H](C1)C(=O)O MCULE-1278208764 [0,0,0,1,0,1|2,0,0]=4 1083 B12R1.258 O=C(O)[C@H]1CCC[C@@H](C1)C(=O)O MCULE-2075996893 [0,0,0,1,0,1|1,0,0]=3 1084 B12R1.258 O=C(O)[C@H]1CCC[C@@H](C1)C(=O)O MCULE-2751748723 [0,0,0,1,0,1|1,0,0]=3 1085 B12R1.258 O=C(O)[C@H]1CCC[C@@H](C1)C(=O)O MCULE-9442455281 [0,0,0,1,0,1|1,0,0]=3 1086 B12R1.258 O=C(O)[C@H]1CCC[C@H](C1)C(=O)O MCULE-3306746591 [0,0,0,1,0,1|1,0,0]=3 1087 B12R1.258 O=C(O)[C@H]1CCN[C@H](C1)C(=O)O MCULE-6924240838 [0,0,0,1,0,1|2,0,0]=4 1088 B12R1.274 CCCC1CC(OC1=O)C(C)O MCULE-6381035805 [0,0,0,1,0,1|0,0,2]=4 1089 B12R1.274 CCCN1CC(OC1=O)C(=O)O MCULE-1292119933 [0,0,0,1,0,1|2,0,0]=4 1090 B12R1.263 CS(=O)(=O)C1CCCC1C(=O)O MCULE-2056304673 [0,1,0,1,0,0|1,0,0]=3 1091 B12R1.263 CS(=O)(=O)N1CCCC1C(=O)O MCULE-9173815910 [0,1,0,1,0,0|2,0,0]=4 1092 B12R1.263 CS(=O)(=O)N1CCC[C@H]1C(=O)O MCULE-3448162390 [0,1,0,1,0,0|2,0,0]=4 1093 B12R1.263 CS(=O)(=O)N1CCC[C@H]1C(=O)O MCULE-5736091762 [0,1,0,1,0,0|2,0,0]=4 1094 B12R1.3005 C[C@H]1C[C@H](CC(C1)(C)C)C(=O)O MCULE-1133384955 [0,1,0,1,0,0|1,0,1]=4 1095 B12R1.3096 CS(=O)(=O)CC1(CCC1)C(=O)O MCULE-8758508092 [0,1,0,1,0,0|1,0,0]=3 1096 B12R1.3096 CS(=O)(=O)CC1(COC1)C(=O)O MCULE-7404045263 [0,1,0,1,0,0|2,0,0]=4 1097 B12R1.127 CC(C)CC1NC(=O)CNC1=O MCULE-2332238186 [0,1,0,1,0,0|2,0,0]=4 1098 B12R1.127 CC(C)C[C@@H]1NC(=O)CNC1=O MCULE-4424552357 [0,1,0,1,0,0|2,0,0]=4 1099 B12R1.127 CC(C)C[C@@H]1NC(=O)CNC1=O MCULE-9363877659 [0,1,0,1,0,0|2,0,0]=4 1100 B12R1.127 CC(C)C[C@H]1NC(=O)CNC1=O MCULE-6343706860 [0,1,0,1,0,0|2,0,0]=4 1101 B12R1.844 CC1(CC(C(=O)O1)CC(=O)O)C MCULE-5608114296 [0,1,0,1,0,0|1,0,0]=3 1102 B12R1.844 CC1(OC(=O)C(O1)CC(=O)O)C MCULE-8383433439 [0,1,0,1,0,0|2,0,0]=4 1103 B12R1.844 CC1(OC(=O)[C@@H](O1)CC(=O)O)C MCULE-4961284650 [0,1,0,1,0,0|2,0,0]=4 1104 B12R1.844 CC1(OC(=O)[C@@H](O1)CC(=O)O)C MCULE-5865274678 [0,1,0,1,0,0|2,0,0]=4 1105 B12R1.844 CC1(OC(=O)[C@H](O1)CC(=O)O)C MCULE-1892933861 [0,1,0,1,0,0|2,0,0]=4 1106 B12R1.844 CC1(OC(=O)[C@H](O1)CC(=O)O)C MCULE-8402442229 [0,1,0,1,0,0|2,0,0]=4 1107 B12R1.850 CC(=O)N1CC(CC1C(=O)O)O MCULE-9681082607 [0,1,0,1,0,0|1,0,0]=3 1108 B12R1.850 CC(=O)N1CC(C[C@H]1C(=O)O)O MCULE-5097508255 [0,1,0,1,0,0|1,0,0]=3 1109 B12R1.850 CC(=O)N1C[C@@H](C[C@H]1C(=O)O)O MCULE-2576782102 [0,1,0,1,0,0|1,0,0]=3 1110 B12R1.850 CC(=O)N1C[C@@H](C[C@H]1C(=O)O)O MCULE-5490909004 [0,1,0,1,0,0|1,0,0]=3 1111 B12R1.850 CC(C)C1OC(=O)NC1C(=O)O MCULE-3978257623 [0,1,0,1,0,0|2,0,0]=4 1112 B12R1.850 CC1CC(C(C1)C(=O)O)C(=O)O MCULE-5449345895 [0,1,0,1,0,0|1,0,0]=3 1113 B12R1.850 CN1C[C@@H]([C@H](C1)C(=O)O)C(=O)O MCULE-5250461580 [0,1,0,1,0,0|2,0,0]=4 1114 B12R1.850 NC(=O)N1CC(CC1C(=O)O)O MCULE-4811638403 [0,1,0,1,0,0|2,0,0]=4 1115 B12R1.850 O=C(O)[C@@H]1C[C@@H](CN1C(=O)O)Cl MCULE-4142014126 [0,1,0,1,0,0|2,0,0]=4 1116 B12R1.850 O=C1CC(C(C1)C(=O)O)C(=O)O MCULE-4393869476 [0,1,0,1,0,0|1,0,1]=4 1117 B12R1.850 O=C1CC([C@@H](C1)C(=O)O)C(=O)O MCULE-9478964359 [0,1,0,1,0,0|1,0,1]=4 1118 B12R1.3579 CC(=O)NC(CC1CC1)C(=O)O MCULE-8273593050 [0,1,0,1,0,0|1,0,0]=3 1119 B12R1.3579 CC(=O)N[C@H](CC1CC1)C(=O)O MCULE-2932450350 [0,1,0,1,0,0|1,0,0]=3 1120 B12R1.3579 CC(=O)N[C@H](CC1CC1)C(=O)O MCULE-3020077724 [0,1,0,1,0,0|1,0,0]=3 1121 B12R1.358 COC(=O)C1CC(=O)CC(=O)C1 MCULE-3720845870 [0,1,0,1,0,0|1,0,1]=4 1122 B12R1.358 COC(=O)[C@@H]1C[C@@H](N[C@@H](C1)C)C MCULE-1031031034 [0,1,0,1,0,0|1,0,1]=4 1123 B12R1.358 COC(=O)[C@@H]1C[C@@H](N[C@@H](C1)C)C MCULE-7480824153 [0,1,0,1,0,0|1,0,1]=4 1124 B12R1.368 CCC(=O)N1CCCC1C(=O)O MCULE-9954111494 [0,1,0,1,0,0|1,0,0]=3 1125 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)O MCULE-1913297626 [0,1,0,1,0,0|1,0,0]=3 1126 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)O MCULE-2045476528 [0,1,0,1,0,0|1,0,0]=3 1127 B12R1.368 COC(=O)C1CCCC1C(=O)O MCULE-9581431032 [0,1,0,1,0,0|0,0,0]=2 1128 B12R1.368 COC(=O)C1CCCN1C(=O)C MCULE-8802023119 [0,1,0,1,0,0|1,0,0]=3 1129 B12R1.368 COC(=O)C1CCOC1C(=O)O MCULE-9344196403 [0,1,0,1,0,0|1,0,0]=3 1130 B12R1.368 COC(=O)N1CCCC1C(=O)O MCULE-6437652218 [0,1,0,1,0,0|1,0,0]=3 1131 B12R1.368 COC(=O)N1CCC[C@H]1C(=O)O MCULE-6677449749 [0,1,0,1,0,0|1,0,0]=3 1132 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C MCULE-1539729894 [0,1,0,1,0,0|1,0,0]=3 1133 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C MCULE-6239169294 [0,1,0,1,0,0|1,0,0]=3 1134 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)Cl MCULE-6589451806 [0,1,0,1,0,0|2,0,0]=4 1135 B12R1.368 COC(=O)[C@@H]1CCC[C@H]1C(=O)O MCULE-3708284379 [0,1,0,1,0,0|0,0,0]=2 1136 B12R1.368 COC(=O)[C@@H]1CCC[C@H]1C(=O)O MCULE-7207251404 [0,1,0,1,0,0|0,0,0]=2 1137 B12R1.368 COC(=O)[C@H]1CCC[C@@H]1C(=O)O MCULE-2395296422 [0,1,0,1,0,0|0,0,0]=2 1138 B12R1.368 COC(=O)[C@H]1CCC[C@H]1C(=O)O MCULE-1837515410 [0,1,0,1,0,0|0,0,0]=2 1139 B12R1.368 COC(=O)[C@H]1CCC[C@H]1C(=O)O MCULE-4611068546 [0,1,0,1,0,0|0,0,0]=2 1140 B12R1.368 COC(=O)[C@H]1CCC[C@H]1C(=O)O MCULE-7157008551 [0,1,0,1,0,0|0,0,0]=2 1141 B12R1.368 NC(=O)C1CCCN1C(=O)CCl MCULE-6261861357 [0,1,0,1,0,0|2,0,0]=4 1142 B12R1.368 NC(=O)[C@@H]1CCCN1C(=O)CCl MCULE-2793214328 [0,1,0,1,0,0|2,0,0]=4 1143 B12R1.368 NC(=O)[C@@H]1CCCN1C(=O)CCl MCULE-9893903522 [0,1,0,1,0,0|2,0,0]=4 1144 B12R1.368 NCC(=O)N1CCCC1C(=O)O MCULE-9336761803 [0,1,0,1,0,0|1,0,0]=3 1145 B12R1.368 NCC(=O)N1CCC[C@@H]1C(=O)O MCULE-1248159536 [0,1,0,1,0,0|1,0,0]=3 1146 B12R1.368 NCC(=O)N1CCC[C@@H]1C(=O)O MCULE-9799276065 [0,1,0,1,0,0|1,0,0]=3 1147 B12R1.368 NCC(=O)N1CCC[C@H]1C(=O)O MCULE-7301156127 [0,1,0,1,0,0|1,0,0]=3 1148 B12R1.368 NCC(=O)N1CCC[C@H]1C(=O)O MCULE-8430609992 [0,1,0,1,0,0|1,0,0]=3 1149 B12R1.368 O=C(O)C1CCCN1C(=O)CCl MCULE-1905760826 [0,1,0,1,0,0|1,0,0]=3 1150 B12R1.368 O=C(O)[C@@H]1CCCN1C(=O)CCl MCULE-6598651648 [0,1,0,1,0,0|1,0,0]=3 1151 B12R1.368 O=C(O)[C@@H]1CCCN1C(=O)CCl MCULE-9375937467 [0,1,0,1,0,0|1,0,0]=3 1152 B12R1.1657 COC(=O)C1CCCCC(=O)C1 MCULE-4513192027 [0,1,0,1,0,0|0,0,0]=2 1153 B12R1.1657 COC(=O)C1CCCCC(C1)N MCULE-4941616520 [0,1,0,1,0,0|1,0,1]=4 1154 B12R1.1657 COC(=O)C1CCCCC(C1)O MCULE-1860574811 [0,1,0,1,0,0|0,0,2]=4 1155 B12R1.3464 COC(=O)C(NC(=O)C)C1CC1 MCULE-8820163677 [0,1,0,1,0,0|1,0,0]=3 1156 B12R1.261 CC(=O)N1CCCCC1C(=O)O MCULE-9909402121 [0,1,0,1,0,0|1,0,0]=3 1157 B12R1.261 CC(=O)N1CCNCC1C(=O)N MCULE-6316455374 [0,1,0,1,0,0|2,0,0]=4 1158 B12R1.261 CC(=O)N1CCNCC1C(=O)N MCULE-8602859617 [0,1,0,1,0,0|2,0,0]=4 1159 B12R1.261 CC(=O)N1CCNCC1C(=O)O MCULE-8968360886 [0,1,0,1,0,0|1,0,0]=3 1160 B12R1.261 CC(=O)N1CCOCC1C(=O)O MCULE-4489986949 [0,1,0,1,0,0|1,0,0]=3 1161 B12R1.261 N=C(N)C1NCCCC1C(=O)O MCULE-8300973436 [0,1,0,1,0,0|2,0,0]=4 1162 B12R1.261 NC(=O)C1CCCCC1C(=O)O MCULE-3798252597 [0,1,0,1,0,0|1,0,0]=3 1163 B12R1.261 NC(=O)N1CCCCC1C(=O)O MCULE-9551488406 [0,1,0,1,0,0|2,0,0]=4 1164 B12R1.261 NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O MCULE-9257976565 [0,1,0,1,0,0|1,0,1]=4 1165 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O MCULE-7178475126 [0,1,0,1,0,0|1,0,0]=3 1166 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O MCULE-8672445916 [0,1,0,1,0,0|1,0,0]=3 1167 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-2394611865 [0,1,0,1,0,0|1,0,0]=3 1168 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4597512342 [0,1,0,1,0,0|1,0,0]=3 1169 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3656636765 [0,1,0,1,0,0|1,0,0]=3 1170 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3887795119 [0,1,0,1,0,0|1,0,0]=3 1171 B12R1.261 NC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-4029989910 [0,1,0,1,0,0|1,0,0]=3 1172 B12R1.261 NC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-6704294440 [0,1,0,1,0,0|1,0,0]=3 1173 B12R1.261 O=C(Cl)C1CCCCC1C(=O)Cl MCULE-7151176665 [0,1,0,1,0,0|2,0,0]=4 1174 B12R1.261 O=C(O)C1CC=CCC1C(=O)O MCULE-8208403883 [0,1,0,1,0,0|1,0,1]=4 1175 B12R1.261 O=C(O)C1CCCCC1C(=O)O MCULE-3185409075 [0,1,0,1,0,0|1,0,0]=3 1176 B12R1.261 O=C(O)C1CCCCN1C(=O)O MCULE-9397034021 [0,1,0,1,0,0|2,0,0]=4 1177 B12R1.261 O=C(O)C1CCCNC1C(=O)O MCULE-3938002780 [0,1,0,1,0,0|1,0,0]=3 1178 B12R1.261 O=C(O)C1CCCNC1C(=O)O MCULE-6316865811 [0,1,0,1,0,0|1,0,0]=3 1179 B12R1.261 O=C(O)C1CCNCC1C(=O)O MCULE-6895708229 [0,1,0,1,0,0|1,0,0]=3 1180 B12R1.261 O=C(O)C1CCNCC1C(=O)O MCULE-8118548559 [0,1,0,1,0,0|1,0,0]=3 1181 B12R1.261 O=C(O)C1NCCNC1C(=O)O MCULE-5683104657 [0,1,0,1,0,0|2,0,0]=4 1182 B12R1.261 O=C(O)[C@@H]1CC=CC[C@H]1C(=O)O MCULE-3658680121 [0,1,0,1,0,0|1,0,1]=4 1183 B12R1.261 O=C(O)[C@@H]1CC=CC[C@H]1C(=O)O MCULE-5277132939 [0,1,0,1,0,0|1,0,1]=4 1184 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4895515726 [0,1,0,1,0,0|1,0,0]=3 1185 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4906980900 [0,1,0,1,0,0|1,0,0]=3 1186 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-7747323415 [0,1,0,1,0,0|1,0,0]=3 1187 B12R1.261 O=C(O)[C@@H]1NCCN[C@H]1C(=O)O MCULE-1130925107 [0,1,0,1,0,0|2,0,0]=4 1188 B12R1.261 O=C(O)[C@H]1CC=CC[C@H]1C(=O)O MCULE-7062667000 [0,1,0,1,0,0|1,0,1]=4 1189 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-1184405040 [0,1,0,1,0,0|1,0,0]=3 1190 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3346909877 [0,1,0,1,0,0|1,0,0]=3 1191 B12R1.261 O=C(O)[C@H]1CCCC[C@H]1C(=O)O MCULE-9506589203 [0,1,0,1,0,0|1,0,0]=3 1192 B12R1.261 O=C(O)[C@H]1CCCN[C@H]1C(=O)O MCULE-4882537337 [0,1,0,1,0,0|1,0,0]=3 1193 B12R1.261 O=C(O)[C@H]1CCCN[C@H]1C(=O)O MCULE-6755541512 [0,1,0,1,0,0|1,0,0]=3 1194 B12R1.261 O=C(O)[C@H]1NCCC[C@H]1C(=O)O MCULE-3174459162 [0,1,0,1,0,0|1,0,0]=3 1195 B12R1.261 O=C(O)[C@H]1NCCC[C@H]1C(=O)O MCULE-5812717043 [0,1,0,1,0,0|1,0,0]=3 1196 B12R1.1388 CC(=O)N1CCCC1(C)C(=O)O MCULE-1907207934 [0,1,0,1,0,0|1,0,0]=3 1197 B12R1.1388 CC(=O)N1CCC[C@]1(C)C(=O)O MCULE-3679005256 [0,1,0,1,0,0|1,0,0]=3 1198 B12R1.1388 CC(=O)N1CCC[C@]1(C)C(=O)O MCULE-5226979290 [0,1,0,1,0,0|1,0,0]=3 1199 B12R1.498 CC(=C1CC[C@H]([C@@H]1C(=O)O)C)C MCULE-1138012403 [0,1,0,1,0,0|1,0,1]=4 1200 B12R1.1813 CC(=O)NC(C(=O)O)C1CCC1 MCULE-7324167109 [0,1,0,1,0,0|1,0,0]=3 1201 B12R1.1813 CC(=O)N[C@@H](C(=O)O)C1CCC1 MCULE-1922537851 [0,1,0,1,0,0|1,0,0]=3 1202 B12R1.1813 CC(=O)N[C@@H](C(=O)O)C1CCC1 MCULE-4142284689 [0,1,0,1,0,0|1,0,0]=3 1203 B12R1.2417 CCC1(OC(=O)CC1C(=O)O)C MCULE-4156934361 [0,1,0,1,0,0|1,0,0]=3 1204 B12R1.11 COC1=CC(=O)CC(C1)C(=O)O MCULE-7454705594 [0,1,0,1,0,0|0,0,2]=4 1205 B12R1.1011 O=C1CCCCCC(C1)C(=O)O MCULE-3072060660 [0,1,0,1,0,0|0,0,0]=2 1206 B12R1.3171 CC(=O)CC1(CCCC1)C(=O)O MCULE-7800919865 [0,1,0,1,0,0|0,0,0]=2 1207 B12R1.3171 CC(=O)NC1(CCCC1)C(=O)O MCULE-6408888911 [0,1,0,1,0,0|1,0,0]=3 1208 B12R1.3171 CC(C)CC1(CCCC1)C(=O)O MCULE-5516862845 [0,1,0,1,0,0|1,0,1]=4 1209 B12R1.3171 O=C(O)CC1(CCCC1)C(=O)O MCULE-5558936340 [0,1,0,1,0,0|1,0,0]=3 1210 B12R1.2709 CC1(CCCCC(=O)N1)C(=O)O MCULE-4375736331 [0,1,0,1,0,0|1,0,0]=3 1211 B12R1.3006 CC1CC(CC(O1)C)(C)C(=O)O MCULE-4711291247 [0,1,0,1,0,0|0,0,2]=4 1212 B12R1.3097 CC1(CCCC(C1)(N)C(=O)O)C MCULE-4405441646 [0,1,0,1,0,0|1,0,1]=4 1213 B12R1.3097 CC1(CCCC(C1)(O)C(=O)O)C MCULE-5633126153 [0,1,0,1,0,0|1,0,1]=4 1214 B12R1.3586 CC(=O)NC(C)(C(=O)O)C1CC1 MCULE-2140171753 [0,1,0,1,0,0|1,0,0]=3 1215 B12R1.371 CNC(=O)CC1NCCNC1=O MCULE-4073920740 [0,1,0,1,0,0|2,0,0]=4 1216 B12R1.371 CNC(=O)CC1SCCNC1=O MCULE-2791635320 [0,1,0,1,0,0|2,0,0]=4 1217 B12R1.371 COC(=O)CC1CCCCC1=O MCULE-2536809252 [0,1,0,1,0,0|1,0,0]=3 1218 B12R1.371 COC(=O)CC1CCCNC1=O MCULE-7799009444 [0,1,0,1,0,0|1,0,0]=3 1219 B12R1.371 COC(=O)CC1NCCNC1=O MCULE-7143283004 [0,1,0,1,0,0|2,0,0]=4 1220 B12R1.371 COC(=O)CC1SCCNC1=O MCULE-5178980105 [0,1,0,1,0,0|2,0,0]=4 1221 B12R1.371 COC(=O)CN1CCCCC1=O MCULE-2869509767 [0,1,0,1,0,0|2,0,0]=4 1222 B12R1.371 COC(=O)C[C@H]1CCCNC1=O MCULE-6276859232 [0,1,0,1,0,0|1,0,0]=3 1223 B12R1.532 COC(=O)CC1CC(=O)OC1=O MCULE-2137418148 [0,1,0,1,0,0|1,0,1]=4 1224 B12R1.626 COC1CCCCC(C1)C(=O)O MCULE-7462960246 [0,1,0,1,0,0|0,0,2]=4 1225 B12R1.766 CCC1C(CC(=O)N1C)C(=O)O MCULE-9837829461 [0,1,0,1,0,0|0,0,0]=2 1226 B12R1.1123 CCCC1CC(C(=O)NC1=O)C MCULE-8704647112 [0,1,0,1,0,0|1,0,1]=4 1227 B12R1.2219 COC(=O)CC1(CCC1)C(=O)O MCULE-4643817692 [0,1,0,1,0,0|0,0,0]=2 1228 B12R1.3721 COC(=O)N[C@H](C(=O)O)C1CC1 MCULE-3102437902 [0,1,0,1,0,0|1,0,0]=3 1229 B12R1.3721 COC(=O)N[C@H](C(=O)O)C1CC1 MCULE-9701943312 [0,1,0,1,0,0|1,0,0]=3 1230 B12R2.1145 O=C(O)C1CC2CC(=O)C1C2 MCULE-9601771232 [0,0,0,2,0,0|0,0,0]=2 1231 B12R2.1145 O=C(O)C1CC2CC(=O)C1O2 MCULE-8904137795 [0,0,0,2,0,0|1,0,0]=3 1232 B12R2.1145 O=C(O)C1CC2CC(C1C2)O MCULE-9092645789 [0,0,0,2,0,0|0,0,2]=4 1233 B12R2.1145 O=C(O)C1CC2CC1C(=O)O2 MCULE-4878928430 [0,0,0,2,0,0|1,0,0]=3 1234 B12R2.1145 O=C(O)C1C[C@H]2CC(=O)[C@@H]1C2 MCULE-8622443304 [0,0,0,2,0,0|0,0,0]=2 1235 B12R2.1145 O=C1C[C@H]2C[C@H]([C@@H]1O2)C(=O)O MCULE-9409997812 [0,0,0,2,0,0|1,0,0]=3 1236 B12R2.1145 [C@@H]12C[C@H]([C@@H](C1)C(=O)O2)C(=O)O MCULE-2764304664 [0,0,0,2,0,0|1,0,0]=3 1237 B12R2.1145 [C@@H]12O[C@@H](CC1=O)C[C@H]2C(=O)O MCULE-7942669188 [0,0,0,2,0,0|1,0,0]=3 1238 B12R2.253 O=C(O)C1CC2CCC(C1)N2 MCULE-4898584624 [0,0,0,2,0,0|1,0,1]=4 1239 B12R2.253 O=C(O)C1CC2CCC(C1)N2 MCULE-8726253951 [0,0,0,2,0,0|1,0,1]=4 1240 B12R2.253 O=C(O)C1CC2CCC(C1)O2 MCULE-4617510506 [0,0,0,2,0,0|0,0,2]=4 1241 B12R2.253 O=C(O)C1CC2CCC(C2)C1 MCULE-1729016821 [0,0,0,2,0,0|1,0,1]=4 1242 B12R2.253 O=C(O)[C@@H]1C[C@@H]2CC[C@H](C1)O2 MCULE-2909105123 [0,0,0,2,0,0|0,0,2]=4 1243 B12R2.253 O=C(O)[C@H]1C[C@@H]2CC[C@H](C1)N2 MCULE-3620349430 [0,0,0,2,0,0|1,0,1]=4 1244 B12R2.253 O=C(O)[C@H]1C[C@@H]2CC[C@H](C1)N2 MCULE-9958120238 [0,0,0,2,0,0|1,0,1]=4 1245 B12R2.1154 O=C1CC2CCCC(C1)N2O MCULE-6031706465 [0,0,0,2,0,0|2,0,0]=4 1246 B12R2.221 O=C1NCC(=O)N2C1CCC2 MCULE-2985739151 [0,0,0,2,0,0|2,0,0]=4 1247 B12R2.221 O=C1NCC(=O)N2[C@H]1CCC2 MCULE-9495678104 [0,0,0,2,0,0|2,0,0]=4 1248 B12R2.221 [C@@H]12CCCN1C(=O)CNC2=O MCULE-2043730253 [0,0,0,2,0,0|2,0,0]=4 1249 B12R2.221 [C@H]12CCCN1C(=O)CNC2=O MCULE-8608681955 [0,0,0,2,0,0|2,0,0]=4 1250 B12R2.221 [C@H]12CCCN1C(=O)CNC2=O MCULE-9127352828 [0,0,0,2,0,0|2,0,0]=4 1251 B12R2.2456 O=C(O)C1NCC2C1C(=O)C2 MCULE-2804546268 [0,0,0,2,0,0|1,0,0]=3 1252 B12R2.1316 O=C1CCC(=O)N(C1)C2CC2 MCULE-5303181062 [0,0,0,2,0,0|2,0,0]=4 1253 B12R2.3934 O=C1CNC(=O)C2(N1)CCC2 MCULE-2484063485 [0,0,0,2,0,0|2,0,0]=4 1254 B12R2.3098 O=C(O)C12CCCC(C1)(C2)O MCULE-3569695743 [0,0,0,2,0,0|0,0,2]=4 1255 B12R2.3181 O=C(O)C1CCCC2(C1)CC2 MCULE-4492465897 [0,0,0,2,0,0|1,0,1]=4 1256 B12R2.3181 O=C(O)[C@H]1CCCC2(C1)CC2 MCULE-6739136358 [0,0,0,2,0,0|1,0,1]=4 1257 B12R2.3222 O=C(O)C1(CCC1)CC2CC2 MCULE-9649318827 [0,0,0,2,0,0|1,0,1]=4 1258 B8R0.18 CCC(C(=O)C)C(=O)C MCULE-2654310210 [1,0,0,0,1,0|1,0,0]=3 1259 B8R0.18 CCC(C(=O)C)C(=O)[O-] MCULE-6595833151 [1,0,0,0,1,0|0,0,1]=3 1260 B8R0.18 CCC(C(=O)C)C(=O)[O-] MCULE-8541174028 [1,0,0,0,1,0|0,0,1]=3 1261 B8R0.18 CCC(C(=O)Cl)C(=O)Cl MCULE-8542721391 [1,0,0,0,1,0|2,0,0]=4 1262 B8R0.18 CCC(C(=O)O)C(=O)O MCULE-3288957588 [1,0,0,0,1,0|1,0,0]=3 1263 B8R0.18 CCC(C(=O)O)C(C)C MCULE-5914693527 [1,0,0,0,1,0|1,0,1]=4 1264 B8R0.18 CCC(C(=O)O)C(C)N MCULE-2976322800 [1,0,0,0,1,0|1,0,1]=4 1265 B8R0.18 CCC(C(=O)O)C(C)O MCULE-1064081188 [1,0,0,0,1,0|0,0,2]=4 1266 B8R0.18 CCC(C(=O)O)N(C)C MCULE-4235177725 [1,0,0,0,1,0|2,0,0]=4 1267 B8R0.18 CCC(C(=O)[O-])C(=O)[O-] MCULE-5481544745 [1,0,0,0,1,0|1,0,1]=4 1268 B8R0.18 CC[C@@H](C(=O)O)N(C)C MCULE-3756764540 [1,0,0,0,1,0|2,0,0]=4 1269 B8R0.18 CC[C@H](C(=O)O)N(C)C MCULE-4719850768 [1,0,0,0,1,0|2,0,0]=4 1270 B8R0.18 COC(C(=O)C)C(=O)C MCULE-2169553892 [1,0,0,0,1,0|2,0,0]=4 1271 B10R0.84 CCC(CCC(=O)C)C(=O)O MCULE-2983781440 [1,0,0,0,0,1|0,0,0]=2 1272 B10R0.84 CCC(CCC(=O)Cl)C(=O)Cl MCULE-9973212610 [1,0,0,0,0,1|2,0,0]=4 1273 B10R0.84 CCC(CCC(C)C)C(=O)O MCULE-5167744478 [1,0,0,0,0,1|1,0,1]=4 1274 B10R0.84 CCC(COC(=O)C)N(=O)=O MCULE-1727243377 [1,0,0,0,0,1|1,0,1]=4 1275 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-7159441787 [1,0,0,0,0,1|2,0,0]=4 1276 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-9982940361 [1,0,0,0,0,1|2,0,0]=4 1277 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)O MCULE-1463462281 [1,0,0,0,0,1|2,0,0]=4 1278 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-1322979818 [1,0,0,0,0,1|2,0,0]=4 1279 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-9405643691 [1,0,0,0,0,1|2,0,0]=4 1280 B10R0.84 CN[C@H](CCC(=O)N)C(=O)O MCULE-2123714471 [1,0,0,0,0,1|2,0,0]=4 1281 B10R0.84 CN[C@H](CCC(=O)O)C(=O)O MCULE-1735782000 [1,0,0,0,0,1|2,0,0]=4