0 B12R0.138 CC(=O)NC(CCC(=O)N)C(=O)O MCULE-1934887222 [0,0,0,0,0,0|0,0,0]=0 1 B12R0.138 CC(=O)NC(CCC(=O)O)C(=O)O MCULE-4246221126 [0,0,0,0,0,0|1,0,0]=1 2 B12R0.138 CC(=O)NC(CCC(=O)O)C(=O)[O-] MCULE-6926285845 [0,0,0,0,0,0|1,0,1]=2 3 B12R0.138 CC(=O)NC(CCC(C)C)C(=O)O MCULE-1991731528 [0,0,0,0,0,0|2,0,1]=3 4 B12R0.138 CC(=O)NC(CCS(=O)C)C(=O)O MCULE-2443247166 [0,0,0,0,0,0|2,0,0]=2 5 B12R0.138 CC(=O)NC(COC(C)C)C(=O)O MCULE-5081773345 [0,0,0,0,0,0|3,0,1]=4 6 B12R0.138 CC(=O)NC(CSC(=O)C)C(=O)O MCULE-1484830678 [0,0,0,0,0,0|2,0,0]=2 7 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)N MCULE-5557467298 [0,0,0,0,0,0|1,0,0]=1 8 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-6381531194 [0,0,0,0,0,0|0,0,0]=0 9 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-7631228514 [0,0,0,0,0,0|0,0,0]=0 10 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)N MCULE-8357951336 [0,0,0,0,0,0|2,0,0]=2 11 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-2229199971 [0,0,0,0,0,0|1,0,0]=1 12 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6828522418 [0,0,0,0,0,0|1,0,0]=1 13 B12R0.138 CC(=O)N[C@@H](CCS(=O)C)C(=O)O MCULE-3134653535 [0,0,0,0,0,0|2,0,0]=2 14 B12R0.138 CC(=O)N[C@@H](CCS(=O)C)C(=O)O MCULE-6666697387 [0,0,0,0,0,0|2,0,0]=2 15 B12R0.138 CC(=O)N[C@@H](CSC(=O)C)C(=O)O MCULE-3391917785 [0,0,0,0,0,0|2,0,0]=2 16 B12R0.138 CC(=O)N[C@@H](CSC(=O)C)C(=O)O MCULE-5905408007 [0,0,0,0,0,0|2,0,0]=2 17 B12R0.138 CC(=O)N[C@H](CCC(=O)O)C(=O)O MCULE-5623672193 [0,0,0,0,0,0|1,0,0]=1 18 B12R0.138 CC(=O)N[C@H](CCC(=O)O)C(=O)O MCULE-6007670614 [0,0,0,0,0,0|1,0,0]=1 19 B12R0.138 CC(C)CC(CCC(=O)O)C(=O)O MCULE-5689039654 [0,0,0,0,0,0|3,0,1]=4 20 B12R0.138 N=C(N)NC(CCC(=O)O)C(=O)O MCULE-3525474442 [0,0,0,0,0,0|3,0,0]=3 21 B12R0.138 N=C(N)N[C@@H](CCC(=O)O)C(=O)O MCULE-2134783627 [0,0,0,0,0,0|3,0,0]=3 22 B12R0.138 N=C(N)N[C@@H](CCC(=O)O)C(=O)O MCULE-2158448069 [0,0,0,0,0,0|3,0,0]=3 23 B12R0.138 NC(=O)CCC(NC(=O)N)C(=O)O MCULE-8108551403 [0,0,0,0,0,0|1,0,0]=1 24 B12R0.138 NC(=O)NC(CCC(=O)O)C(=O)O MCULE-3205173370 [0,0,0,0,0,0|2,0,0]=2 25 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6817913906 [0,0,0,0,0,0|2,0,0]=2 26 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-8310604508 [0,0,0,0,0,0|2,0,0]=2 27 B12R0.138 O=C(O)CCC(CC(=O)O)C(=O)O MCULE-2741994268 [0,0,0,0,0,0|3,0,0]=3 28 B12R0.138 O=C(O)CSC(CC(=O)O)C(=O)O MCULE-6689291865 [0,0,0,0,0,0|4,0,0]=4 29 B12R0.138 [C@@H](CCC(=O)O)(NC(=O)C)C(=O)O MCULE-7234857249 [0,0,0,0,0,0|1,0,0]=1 30 B11R0.146 CCCC(CCC(=O)C)C(=O)O MCULE-7919400845 [1,0,0,0,0,0|2,0,1]=4 31 B11R0.146 N/C=N/[C@@H](CCC(=O)O)C(=O)O MCULE-1122843385 [1,0,0,0,0,0|2,0,1]=4 32 B11R0.146 NC(=O)CCC(NC=O)C(=O)O MCULE-5875375171 [1,0,0,0,0,0|0,0,0]=1 33 B11R0.146 [C@@H](CCC(=O)N)(NCC)C(=O)O MCULE-6210892228 [1,0,0,0,0,0|0,0,1]=2 34 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O MCULE-1427956391 [1,0,0,0,0,0|0,0,1]=2 35 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O MCULE-1647417475 [1,0,0,0,0,0|0,0,1]=2 36 B11R0.160 CC(=O)N[C@@H](CSN=O)C(=O)O MCULE-4397408409 [1,0,0,0,0,0|2,0,0]=3 37 B11R0.160 CCCCC(NC(=O)C)C(=O)C MCULE-9516659128 [1,0,0,0,0,0|2,0,1]=4 38 B11R0.160 CCCCC(NC(=O)C)C(=O)O MCULE-1796227277 [1,0,0,0,0,0|1,0,1]=3 39 B11R0.160 CCCCC(NC(=O)C)C(=O)O MCULE-2709462387 [1,0,0,0,0,0|1,0,1]=3 40 B11R0.160 CCCCC(NC(=O)N)C(=O)O MCULE-2177545582 [1,0,0,0,0,0|2,0,1]=4 41 B11R0.160 CCCC[C@@H](NC(=O)C)C(=O)O MCULE-5788818981 [1,0,0,0,0,0|1,0,1]=3 42 B11R0.160 CCCC[C@@H](NC(=O)C)C(=O)O MCULE-8915739057 [1,0,0,0,0,0|1,0,1]=3 43 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)O MCULE-3651693998 [1,0,0,0,0,0|1,0,1]=3 44 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)O MCULE-4560203101 [1,0,0,0,0,0|1,0,1]=3 45 B11R0.160 CCSCC(NC(=O)C)C(=O)O MCULE-9115578925 [1,0,0,0,0,0|2,0,1]=4 46 B11R0.160 CCSC[C@H](NC(=O)C)C(=O)O MCULE-5694706376 [1,0,0,0,0,0|2,0,1]=4 47 B11R0.160 COCCC(NC(=O)C)C(=O)O MCULE-9296272594 [1,0,0,0,0,0|2,0,0]=3 48 B11R0.160 CSCCC(NC(=O)C)C(=O)N MCULE-1955833225 [1,0,0,0,0,0|3,0,0]=4 49 B11R0.160 CSCCC(NC(=O)C)C(=O)O MCULE-6118079123 [1,0,0,0,0,0|2,0,0]=3 50 B11R0.160 CSCCC(NC(=O)N)C(=O)O MCULE-8995512478 [1,0,0,0,0,0|3,0,0]=4 51 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)O MCULE-3164935915 [1,0,0,0,0,0|2,0,0]=3 52 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)O MCULE-9459431743 [1,0,0,0,0,0|2,0,0]=3 53 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N MCULE-3483850242 [1,0,0,0,0,0|3,0,0]=4 54 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N MCULE-9538917660 [1,0,0,0,0,0|3,0,0]=4 55 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)O MCULE-8710138272 [1,0,0,0,0,0|2,0,0]=3 56 B11R0.160 CSCC[C@H](NC(=O)N)C(=O)O MCULE-5006828039 [1,0,0,0,0,0|3,0,0]=4 57 B11R0.160 [C@@H](CCSC)(NC(=O)C)C(=O)O MCULE-5012891970 [1,0,0,0,0,0|2,0,0]=3 58 B13R0.253 COC(=O)C(CCC(=O)O)CC(=O)O MCULE-8387000919 [0,1,0,0,0,0|3,0,0]=4 59 B13R0.253 COC(=O)C(CCC(=O)O)NC(=O)C MCULE-5671718877 [0,1,0,0,0,0|1,0,0]=2 60 B13R0.253 COC(=O)C(CSC(=O)C)NC(=O)C MCULE-6436516197 [0,1,0,0,0,0|2,0,0]=3 61 B13R0.253 COC(=O)C(CSC(=O)C)SC(=O)C MCULE-6568653114 [0,1,0,0,0,0|3,0,0]=4 62 B13R0.253 COC(=O)[C@H](CCC(=O)O)NC(=O)C MCULE-1802205404 [0,1,0,0,0,0|1,0,0]=2 63 B13R0.253 COC(=O)[C@H](CCC(=O)O)NC(=O)C MCULE-9268797259 [0,1,0,0,0,0|1,0,0]=2 64 B13R0.253 COC(=O)[C@H](CSC(=O)C)NC(=O)C MCULE-5779086310 [0,1,0,0,0,0|2,0,0]=3 65 B13R0.256 C(CCC(=O)O)(NC(=O)CN)C(=O)O MCULE-8962658243 [0,1,0,0,0,0|1,0,0]=2 66 B13R0.256 NCC(=O)NC(CCC(=O)N)C(=O)O MCULE-3110531396 [0,1,0,0,0,0|0,0,0]=1 67 B13R0.256 NCC(=O)NC(CCC(=O)N)C(=O)O MCULE-6671616669 [0,1,0,0,0,0|0,0,0]=1 68 B13R0.256 NCC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-1244645338 [0,1,0,0,0,0|0,0,0]=1 69 B13R0.256 NCC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-2949815729 [0,1,0,0,0,0|0,0,0]=1 70 B13R0.256 NCC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-5199747095 [0,1,0,0,0,0|1,0,0]=2 71 B13R0.256 NCC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6881676270 [0,1,0,0,0,0|1,0,0]=2 72 B13R0.256 NCC(=O)N[C@H](CCC(=O)N)C(=O)O MCULE-5116782906 [0,1,0,0,0,0|0,0,0]=1 73 B13R0.256 NCC(=O)N[C@H](CCC(=O)N)C(=O)O MCULE-6536814106 [0,1,0,0,0,0|0,0,0]=1 74 B13R0.432 CC(=O)NC(CSC(=CCl)Cl)C(=O)O MCULE-7902298838 [0,1,0,0,0,0|3,0,0]=4 75 B13R0.432 CC(=O)N[C@@H](CSC(=CCl)Cl)C(=O)O MCULE-4766876947 [0,1,0,0,0,0|3,0,0]=4 76 B13R0.432 CNC(=O)SCC(NC(=O)C)C(=O)O MCULE-8768637303 [0,1,0,0,0,0|1,0,0]=2 77 B13R0.432 CNC(=O)SC[C@H](NC(=O)C)C(=O)O MCULE-9033903226 [0,1,0,0,0,0|1,0,0]=2 78 B13R0.617 CC(=O)NC(C)(CCC(C)C)C(=O)O MCULE-5660861073 [0,1,0,0,0,0|2,0,1]=4 79 B13R0.630 CC(=O)NC(CCP(=O)(C)O)C(=O)O MCULE-9863750171 [0,1,0,0,0,0|2,0,0]=3 80 B13R0.630 CC(=O)NC(CCP(=O)(C)[O-])C(=O)[O-] MCULE-3076098681 [0,1,0,0,0,0|2,0,1]=4 81 B13R1.893 NC(=O)CCC1NC(=O)CNC1=O MCULE-7911935689 [0,0,0,1,0,0|1,0,0]=2 82 B13R1.893 NC(=O)CC[C@@H]1NC(=O)CNC1=O MCULE-5129469801 [0,0,0,1,0,0|1,0,0]=2 83 B13R1.893 NC(=O)CC[C@@H]1NC(=O)CNC1=O MCULE-7820355645 [0,0,0,1,0,0|1,0,0]=2 84 B13R1.893 O=C(O)CC[C@@H]1NC(=O)CNC1=O MCULE-2125890084 [0,0,0,1,0,0|2,0,0]=3 85 B13R1.893 O=C(O)CC[C@@H]1NC(=O)CNC1=O MCULE-5531427735 [0,0,0,1,0,0|2,0,0]=3 86 B13R1.5889 O=C(O)CC1(CCC(=O)O1)C(=O)O MCULE-2632878459 [0,0,0,1,0,0|3,0,0]=4 87 B11R0.28 CC(=O)CCC(C(=O)C)C(=O)C MCULE-3780673236 [0,0,0,0,1,0|2,0,0]=3 88 B11R0.28 CC(=O)CCC(C(=O)O)C(C)C MCULE-5205208596 [0,0,0,0,1,0|2,0,1]=4 89 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O MCULE-4285872078 [0,0,0,0,1,0|2,0,1]=4 90 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O MCULE-7706960153 [0,0,0,0,1,0|2,0,1]=4 91 B11R0.28 CN(C)[C@@H](CCC(=O)O)C(=O)O MCULE-2784771552 [0,0,0,0,1,0|3,0,0]=4 92 B11R0.28 CN(C)[C@H](CCC(=O)N)C(=O)O MCULE-2650965426 [0,0,0,0,1,0|2,0,0]=3 93 B11R0.28 CN(C)[C@H](CCC(=O)O)C(=O)O MCULE-7024104536 [0,0,0,0,1,0|3,0,0]=4 94 B11R0.28 NC(=O)CCC(C(=O)O)C(=O)O MCULE-8933018983 [0,0,0,0,1,0|1,0,0]=2 95 B11R0.32 C=C(C)CC(NC(=O)C)C(=O)O MCULE-7639004071 [0,0,0,0,1,0|2,0,0]=3 96 B11R0.32 C=C(C)C[C@H](NC(=O)C)C(=O)O MCULE-8601164722 [0,0,0,0,1,0|2,0,0]=3 97 B11R0.32 C=C(C)C[C@H](NC(=O)C)C(=O)O MCULE-8880296601 [0,0,0,0,1,0|2,0,0]=3 98 B11R0.32 CC(=O)NC(CC(=O)N)C(=O)O MCULE-4878635005 [0,0,0,0,1,0|0,0,0]=1 99 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)N MCULE-5157971327 [0,0,0,0,1,0|2,0,0]=3 100 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O MCULE-8912395007 [0,0,0,0,1,0|1,0,0]=2 101 B11R0.32 CC(=O)NC(CC(=O)[O-])C(=O)[O-] MCULE-4482924233 [0,0,0,0,1,0|1,0,1]=3 102 B11R0.32 CC(=O)NC(CC(C)C)C(=O)O MCULE-7375828849 [0,0,0,0,1,0|2,0,1]=4 103 B11R0.32 CC(=O)NC(CC(C)C)C(=O)O MCULE-8541961335 [0,0,0,0,1,0|2,0,1]=4 104 B11R0.32 CC(=O)NC(CP(=O)[O-])C(=O)[O-] MCULE-1395935303 [0,0,0,0,1,0|2,0,1]=4 105 B11R0.32 CC(=O)NC(CP(=O)[O-])C(=O)[O-] MCULE-9434684614 [0,0,0,0,1,0|2,0,1]=4 106 B11R0.32 CC(=O)N[C@@H](CC(=O)N)C(=O)O MCULE-4594531393 [0,0,0,0,1,0|0,0,0]=1 107 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)N MCULE-2089104598 [0,0,0,0,1,0|2,0,0]=3 108 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)N MCULE-2463301038 [0,0,0,0,1,0|2,0,0]=3 109 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-2346017798 [0,0,0,0,1,0|1,0,0]=2 110 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-5208660790 [0,0,0,0,1,0|1,0,0]=2 111 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)O MCULE-3541053611 [0,0,0,0,1,0|2,0,1]=4 112 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)O MCULE-9082534218 [0,0,0,0,1,0|2,0,1]=4 113 B11R0.32 CC(=O)N[C@H](CC(=O)N)C(=O)O MCULE-2258546008 [0,0,0,0,1,0|0,0,0]=1 114 B11R0.32 CC(=O)N[C@H](CC(=O)N)C(=O)O MCULE-5563097482 [0,0,0,0,1,0|0,0,0]=1 115 B11R0.32 CC(=O)N[C@H](CC(C)C)C(=O)O MCULE-8998784853 [0,0,0,0,1,0|2,0,1]=4 116 B11R0.32 N=C(N)NC(CC(=O)O)C(=O)O MCULE-4241233413 [0,0,0,0,1,0|3,0,0]=4 117 B11R0.32 N=C(N)N[C@@H](CC(=O)O)C(=O)O MCULE-5013210070 [0,0,0,0,1,0|3,0,0]=4 118 B11R0.32 N=C(N)N[C@@H](CC(=O)O)C(=O)O MCULE-9253749740 [0,0,0,0,1,0|3,0,0]=4 119 B11R0.32 NC(=O)CC(CC(=O)N)C(=O)N MCULE-2785332198 [0,0,0,0,1,0|3,0,0]=4 120 B11R0.32 NC(=O)CC(NC(=O)N)C(=O)O MCULE-1904738893 [0,0,0,0,1,0|1,0,0]=2 121 B11R0.32 NC(=O)NC(CC(=O)O)C(=O)O MCULE-1014975815 [0,0,0,0,1,0|2,0,0]=3 122 B11R0.32 NC(=O)NC(NC(=O)N)C(=O)O MCULE-5327019203 [0,0,0,0,1,0|2,0,0]=3 123 B11R0.32 NC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-2523426634 [0,0,0,0,1,0|2,0,0]=3 124 B11R0.32 NC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-3753948535 [0,0,0,0,1,0|2,0,0]=3 125 B11R0.32 NC(=S)NC(CC(=O)O)C(=O)O MCULE-3942512238 [0,0,0,0,1,0|2,1,0]=4 126 B11R0.32 O=C(O)CC(CC(=O)O)C(=O)O MCULE-6198986604 [0,0,0,0,1,0|3,0,0]=4 127 B11R0.32 [C@@H](CC(=O)N)(NC(=O)C)C(=O)O MCULE-3763271453 [0,0,0,0,1,0|0,0,0]=1 128 B11R0.32 [C@H](CC(C)C)(NC(=O)C)C(=O)O MCULE-9509726558 [0,0,0,0,1,0|2,0,1]=4 129 B13R0.53 CC(=O)NN=C(CCC(=O)O)C(=O)O MCULE-8274929083 [0,0,0,0,0,1|1,0,1]=3 130 B13R0.53 CC(=O)SCC(CSC(=O)C)C(=O)O MCULE-3064609855 [0,0,0,0,0,1|3,0,0]=4 131 B13R0.53 NC(=O)NN=C(CCC(=O)O)C(=O)O MCULE-7798146890 [0,0,0,0,0,1|2,0,1]=4 132 B13R0.53 O=C(O)CCC(CCC(=O)O)C(=O)O MCULE-8962977101 [0,0,0,0,0,1|3,0,0]=4 133 B13R0.443 CC(=O)N[C@@H](CSC=C(Cl)Cl)C(=O)O MCULE-8489789956 [0,0,0,0,0,1|2,0,1]=4 134 B10R0.84 CCC(CCC(=O)C)C(=O)O MCULE-2983781440 [2,0,0,0,0,0|1,0,1]=4 135 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-7159441787 [2,0,0,0,0,0|1,0,0]=3 136 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-9982940361 [2,0,0,0,0,0|1,0,0]=3 137 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)O MCULE-1463462281 [2,0,0,0,0,0|0,0,0]=2 138 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-1322979818 [2,0,0,0,0,0|1,0,0]=3 139 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-9405643691 [2,0,0,0,0,0|1,0,0]=3 140 B10R0.84 CN[C@H](CCC(=O)N)C(=O)O MCULE-2123714471 [2,0,0,0,0,0|0,0,0]=2 141 B10R0.84 CN[C@H](CCC(=O)O)C(=O)O MCULE-1735782000 [2,0,0,0,0,0|1,0,0]=3 142 B10R0.88 CCCC[C@H](NC=O)C(=O)O MCULE-4509479689 [2,0,0,0,0,0|1,0,1]=4 143 B10R0.88 CCCC[C@H](NC=O)C(=O)O MCULE-9386007072 [2,0,0,0,0,0|1,0,1]=4 144 B10R0.88 CSCCC(NC=O)C(=O)O MCULE-1321874627 [2,0,0,0,0,0|2,0,0]=4 145 B10R0.88 CSCC[C@@H](NC=O)C(=O)O MCULE-1193383828 [2,0,0,0,0,0|2,0,0]=4 146 B10R0.88 CSCC[C@H](NC=O)C(=O)O MCULE-6184653272 [2,0,0,0,0,0|2,0,0]=4 147 B10R0.88 CSCC[C@H](NC=O)C(=O)O MCULE-8050291491 [2,0,0,0,0,0|2,0,0]=4 148 B10R0.23 C#CCC(NC(=O)C)C(=O)O MCULE-9409389398 [2,0,0,0,0,0|0,0,2]=4 149 B10R0.23 C=CCC(NC(=O)C)C(=O)O MCULE-7609607910 [2,0,0,0,0,0|0,0,1]=3 150 B10R0.23 CC(=O)NC(CCO)C(=O)O MCULE-2399187108 [2,0,0,0,0,0|0,0,1]=3 151 B10R0.23 CC(=O)N[C@@H](CCS)C(=O)O MCULE-9792008044 [2,0,0,0,0,0|0,1,0]=3 152 B10R0.23 CCCC(CC(=O)C)C(=O)O MCULE-7988753662 [2,0,0,0,0,0|1,0,1]=4 153 B10R0.23 CCCC(NC(=O)C)C(=O)O MCULE-3719218412 [2,0,0,0,0,0|0,0,1]=3 154 B10R0.23 CCCC(NC(=O)N)C(=O)O MCULE-3451078854 [2,0,0,0,0,0|1,0,1]=4 155 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)O MCULE-7396030806 [2,0,0,0,0,0|0,0,1]=3 156 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)O MCULE-7424603595 [2,0,0,0,0,0|0,0,1]=3 157 B10R0.23 CCC[C@@H](NC(=O)N)C(=O)O MCULE-4836272670 [2,0,0,0,0,0|1,0,1]=4 158 B10R0.23 CCC[C@H](NC(=O)C)C(=O)O MCULE-2905526129 [2,0,0,0,0,0|0,0,1]=3 159 B10R0.23 CCC[C@H](NC(=O)C)C(=O)O MCULE-6395010914 [2,0,0,0,0,0|0,0,1]=3 160 B10R0.23 CNCC(NC(=O)C)C(=O)O MCULE-4047191308 [2,0,0,0,0,0|1,0,1]=4 161 B10R0.23 CNC[C@H](NC(=O)C)C(=O)O MCULE-3833734431 [2,0,0,0,0,0|1,0,1]=4 162 B10R0.23 COCC(NC(=O)C)C(=O)O MCULE-9763122983 [2,0,0,0,0,0|1,0,1]=4 163 B10R0.23 COC[C@@H](NC(=O)C)C(=O)O MCULE-2239598357 [2,0,0,0,0,0|1,0,1]=4 164 B10R0.23 COC[C@@H](NC(=O)C)C(=O)O MCULE-4278788977 [2,0,0,0,0,0|1,0,1]=4 165 B10R0.23 COC[C@H](NC(=O)C)C(=O)O MCULE-5146213386 [2,0,0,0,0,0|1,0,1]=4 166 B10R0.23 CSCC(NC(=O)C)C(=O)O MCULE-8059509909 [2,0,0,0,0,0|1,0,1]=4 167 B10R0.23 CSC[C@H](NC(=O)C)C(=O)O MCULE-1058369746 [2,0,0,0,0,0|1,0,1]=4 168 B12R0.55 N/N=C/N[C@@H](CCC(=O)O)C(=O)O MCULE-2421282450 [1,1,0,0,0,0|2,0,0]=4 169 B12R0.55 O=CNN=C(CCC(=O)O)C(=O)O MCULE-8497666152 [1,1,0,0,0,0|1,0,1]=4 170 B12R0.403 CCCC(CCC(=O)NO)C(=O)O MCULE-3864916891 [1,1,0,0,0,0|1,0,1]=4 171 B12R0.120 C=CCSCC(NC(=O)C)C(=O)O MCULE-3064329228 [1,1,0,0,0,0|1,0,0]=3 172 B12R0.120 C=CCSC[C@H](NC(=O)C)C(=O)O MCULE-7322007743 [1,1,0,0,0,0|1,0,0]=3 173 B12R0.120 CC(=O)NC(CCCCN)C(=O)O MCULE-8017448166 [1,1,0,0,0,0|0,0,1]=3 174 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)N MCULE-1304308787 [1,1,0,0,0,0|1,0,1]=4 175 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)N MCULE-3583752590 [1,1,0,0,0,0|1,0,1]=4 176 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)N MCULE-8452006905 [1,1,0,0,0,0|1,0,1]=4 177 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)N MCULE-8798570465 [1,1,0,0,0,0|1,0,1]=4 178 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)O MCULE-5740334109 [1,1,0,0,0,0|0,0,1]=3 179 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)O MCULE-7913524496 [1,1,0,0,0,0|0,0,1]=3 180 B12R0.120 CC(=O)N[C@@H](CSCCO)C(=O)O MCULE-8868188800 [1,1,0,0,0,0|0,0,2]=4 181 B12R0.120 CC(=O)N[C@H](CCCCN)C(=O)O MCULE-2510006283 [1,1,0,0,0,0|0,0,1]=3 182 B12R0.120 CC(=O)N[C@H](CCCCN)C(=O)O MCULE-3102213302 [1,1,0,0,0,0|0,0,1]=3 183 B12R0.120 CCCSCC(NC(=O)C)C(=O)O MCULE-4773534022 [1,1,0,0,0,0|1,0,1]=4 184 B12R0.120 CCCSC[C@H](NC(=O)C)C(=O)O MCULE-6827648453 [1,1,0,0,0,0|1,0,1]=4 185 B12R0.120 CCSCCC(NC(=O)C)C(=O)O MCULE-1435768152 [1,1,0,0,0,0|1,0,1]=4 186 B12R0.129 CCC(=O)NC(CCSC)C(=O)O MCULE-3106840396 [1,1,0,0,0,0|2,0,0]=4 187 B12R0.129 CCCCC(NC(=O)CCl)C(=O)O MCULE-4223749111 [1,1,0,0,0,0|1,0,1]=4 188 B12R0.129 CCCCC(NC(=O)CN)C(=O)O MCULE-1003008344 [1,1,0,0,0,0|1,0,1]=4 189 B12R0.129 CCCC[C@H](NC(=O)CCl)C(=O)O MCULE-2346200876 [1,1,0,0,0,0|1,0,1]=4 190 B12R0.129 CCCC[C@H](NC(=O)CCl)C(=O)O MCULE-3907518151 [1,1,0,0,0,0|1,0,1]=4 191 B12R0.129 CSCCC(NC(=O)CN)C(=O)O MCULE-4509739617 [1,1,0,0,0,0|2,0,0]=4 192 B12R0.129 CSCC[C@H](NC(=O)CN)C(=O)O MCULE-1237894856 [1,1,0,0,0,0|2,0,0]=4 193 B12R0.129 CSCC[C@H](NC(=O)CN)C(=O)O MCULE-9573195638 [1,1,0,0,0,0|2,0,0]=4 194 B12R0.129 [C@@H](CCCC)(NC(=O)CN)C(=O)O MCULE-9428552827 [1,1,0,0,0,0|1,0,1]=4 195 B12R0.247 COC(=O)C(CCSC)NC(=O)C MCULE-1752910006 [1,1,0,0,0,0|2,0,0]=4 196 B12R0.247 COC(=O)[C@H](CCSC)NC(=O)C MCULE-5242767729 [1,1,0,0,0,0|2,0,0]=4 197 B12R0.247 COC(=O)[C@H](CCSC)NC(=O)C MCULE-7873559640 [1,1,0,0,0,0|2,0,0]=4 198 B12R0.146 COC(=O)CCC(C(=O)C)C(=O)C MCULE-7659617447 [0,1,0,0,1,0|2,0,0]=4 199 B12R0.339 NC(CC(C(=O)O)C(=O)O)C(=O)O MCULE-9211852409 [0,1,0,0,1,0|2,0,0]=4 200 B12R0.339 N[C@@H](CC(C(=O)O)C(=O)O)C(=O)O MCULE-3470440072 [0,1,0,0,1,0|2,0,0]=4 201 B12R0.180 COC(=O)[C@H](CC(=O)N)NC(=O)C MCULE-2578528413 [0,1,0,0,1,0|0,0,0]=2 202 B12R0.180 COC(=O)[C@H](CC(=O)O)NC(=O)C MCULE-4232811063 [0,1,0,0,1,0|1,0,0]=3 203 B12R0.180 COC(=O)[C@H](CC(=O)O)NC(=O)C MCULE-8813052646 [0,1,0,0,1,0|1,0,0]=3 204 B12R0.393 CS(=O)(=O)NC(CC(=O)O)C(=O)O MCULE-4453340004 [0,1,0,0,1,0|2,0,0]=4 205 B12R0.393 CS(=O)(=O)N[C@H](CC(=O)N)C(=O)O MCULE-8664664153 [0,1,0,0,1,0|1,0,0]=3 206 B12R0.694 CC(=O)NC(C)(NC(=O)C)C(=O)O MCULE-9603599676 [0,1,0,0,1,0|2,0,0]=4 207 B14R0.1418 CC(Cl)C(=O)NC(CCC(=O)N)C(=O)O MCULE-3687386644 [0,1,0,0,0,1|1,0,1]=4 208 B14R0.1418 CC(N)C(=O)NC(CCC(=O)N)C(=O)O MCULE-2362267167 [0,1,0,0,0,1|1,0,1]=4 209 B14R0.1418 C[C@@H](Cl)C(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-5149818881 [0,1,0,0,0,1|1,0,1]=4 210 B14R0.1418 C[C@@H](Cl)C(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-9043468513 [0,1,0,0,0,1|1,0,1]=4 211 B14R0.1418 C[C@@H](N)C(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-7598160962 [0,1,0,0,0,1|1,0,1]=4 212 B14R0.1418 C[C@H](N)C(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-4659818528 [0,1,0,0,0,1|1,0,1]=4 213 B14R0.1418 C[C@H](N)C(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-6729074661 [0,1,0,0,0,1|1,0,1]=4 214 B14R0.1418 C[C@H](N)C(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-7443573771 [0,1,0,0,0,1|1,0,1]=4 215 B14R0.1418 C[C@H](N)C(=O)N[C@H](CCC(=O)N)C(=O)O MCULE-5407627581 [0,1,0,0,0,1|1,0,1]=4 216 B14R0.123 CCOC(=O)[C@H](CSC(=O)C)NC(=O)C MCULE-6731780763 [0,2,0,0,0,0|2,0,0]=4 217 B14R0.123 CCOC(=O)[C@H](CSC(=O)C)NC(=O)C MCULE-8559389643 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.861 NC(=O)CCC1NC(=O)OC1=O MCULE-4302908311 [1,0,0,1,0,0|1,0,0]=3 219 B12R1.861 NC(=O)CC[C@@H]1NC(=O)OC1=O MCULE-7370024729 [1,0,0,1,0,0|1,0,0]=3 220 B12R1.861 O=C(O)CCC1NC(=O)NC1=O MCULE-4043775084 [1,0,0,1,0,0|2,0,0]=4 221 B12R1.861 O=C(O)CC[C@@H]1NC(=O)NC1=O MCULE-7004335123 [1,0,0,1,0,0|2,0,0]=4 222 B12R1.861 O=C(O)CC[C@@H]1NC(=O)NC1=O MCULE-9084301148 [1,0,0,1,0,0|2,0,0]=4 223 B12R1.258 NC(=O)C1CCCC(C1)C(=O)O MCULE-2730743019 [1,0,0,1,0,0|1,0,1]=4 224 B12R1.258 NC(=O)C1CCC[C@@H](C1)C(=O)O MCULE-6377571763 [1,0,0,1,0,0|1,0,1]=4 225 B12R1.258 O=C(O)C1CCNC(C1)C(=O)O MCULE-5359047625 [1,0,0,1,0,0|1,0,1]=4 226 B12R1.258 O=C(O)[C@H]1CCN[C@H](C1)C(=O)O MCULE-6924240838 [1,0,0,1,0,0|1,0,1]=4 227 B12R1.1218 O=C1CCC(NC(=O)N1)C(=O)O MCULE-1500901584 [1,0,0,1,0,0|0,0,0]=2 228 B12R1.261 CC(=O)N1CCCCC1C(=O)O MCULE-9909402121 [1,0,0,1,0,0|1,0,1]=4 229 B12R1.498 CC(C)N1C(=O)CCC1C(=O)O MCULE-1139097560 [1,0,0,1,0,0|1,0,1]=4 230 B12R1.498 CC(C)N1C(=O)CC[C@H]1C(=O)O MCULE-7670203479 [1,0,0,1,0,0|1,0,1]=4 231 B12R1.1813 CC(=O)NC(C(=O)O)C1CCC1 MCULE-7324167109 [1,0,0,1,0,0|1,0,1]=4 232 B12R1.1813 CC(=O)N[C@@H](C(=O)O)C1CCC1 MCULE-1922537851 [1,0,0,1,0,0|1,0,1]=4 233 B12R1.1813 CC(=O)N[C@@H](C(=O)O)C1CCC1 MCULE-4142284689 [1,0,0,1,0,0|1,0,1]=4 234 B12R1.3171 CC(=O)NC1(CCCC1)C(=O)O MCULE-6408888911 [1,0,0,1,0,0|1,0,1]=4 235 B12R1.3579 CC(=O)NC(CC1CC1)C(=O)O MCULE-8273593050 [1,0,0,1,0,0|1,0,1]=4 236 B12R1.3579 CC(=O)N[C@H](CC1CC1)C(=O)O MCULE-2932450350 [1,0,0,1,0,0|1,0,1]=4 237 B12R1.3579 CC(=O)N[C@H](CC1CC1)C(=O)O MCULE-3020077724 [1,0,0,1,0,0|1,0,1]=4 238 B12R1.895 CC(=O)CCC1C(=O)CCC1=O MCULE-5898003636 [0,0,0,1,1,0|2,0,0]=4 239 B12R1.895 CC1=NOC(=O)C1CCC(=O)O MCULE-9449017455 [0,0,0,1,1,0|2,0,0]=4 240 B12R1.1380 O=C(O)C1CC1(C(=O)O)C(=O)O MCULE-4833614903 [0,0,0,1,1,0|2,0,0]=4 241 B12R1.127 O=C(O)C[C@@H]1NC(=O)CNC1=O MCULE-6849055240 [0,0,0,1,1,0|2,0,0]=4 242 B12R1.127 O=C(O)C[C@@H]1NC(=O)CNC1=O MCULE-9161646901 [0,0,0,1,1,0|2,0,0]=4 243 B12R1.850 O=C1CC(C(C1)C(=O)O)C(=O)O MCULE-4393869476 [0,0,0,1,1,0|2,0,0]=4 244 B12R1.850 O=C1CC(C(O1)C(=O)O)C(=O)O MCULE-6848457652 [0,0,0,1,1,0|2,0,0]=4 245 B12R1.850 O=C1CC([C@@H](C1)C(=O)O)C(=O)O MCULE-9478964359 [0,0,0,1,1,0|2,0,0]=4 246 B12R1.3005 O=C1CS(=O)(=O)CC(N1)C(=O)O MCULE-9633141025 [0,0,0,1,1,0|2,0,0]=4 247 B12R1.3005 O=C1CS(=O)(=O)C[C@H](N1)C(=O)O MCULE-4378467096 [0,0,0,1,1,0|2,0,0]=4 248 B14R1.3150 CN1CC(=O)NC(C1=O)CCC(=O)O MCULE-5599056501 [0,1,0,1,0,0|2,0,0]=4 249 B14R1.6036 C[C@@H]1NC(=O)[C@@H](NC1=O)CCC(=O)O MCULE-1593404321 [0,1,0,1,0,0|2,0,0]=4 250 B14R1.6036 C[C@@H]1NC(=O)[C@@H](NC1=O)CCC(=O)O MCULE-3263103016 [0,1,0,1,0,0|2,0,0]=4 251 B14R1.16457 NC(=O)CC[C@H](NC1(CC1)O)C(=O)O MCULE-2669703032 [0,1,0,1,0,0|0,0,2]=4 252 B10R0.17 NCCCC(C(=O)O)C(=O)O MCULE-4043949471 [1,0,0,0,1,0|1,0,1]=4 253 B10R0.162 CN(C)[C@H](CC(=O)N)C(=O)O MCULE-9653422208 [0,0,0,0,2,0|2,0,0]=4 254 B14R0.2681 CC(=O)NC(CCCNC(=N)N)C(=O)O MCULE-6341483502 [0,0,0,0,0,2|1,0,0]=3 255 B14R0.2681 CC(=O)NC(CCCNC(=O)N)C(=O)O MCULE-4292894856 [0,0,0,0,0,2|0,0,0]=2 256 B14R0.2681 CC(=O)NC(CCCNC(=O)N)C(=O)O MCULE-4794847382 [0,0,0,0,0,2|0,0,0]=2 257 B14R0.2681 CC(=O)NCCC[C@H](NC(=O)C)C(=O)O MCULE-3653465876 [0,0,0,0,0,2|1,0,0]=3 258 B14R0.2681 CC(=O)NCCC[C@H](NC(=O)C)C(=O)O MCULE-4823120484 [0,0,0,0,0,2|1,0,0]=3 259 B14R0.2681 CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N MCULE-7334334906 [0,0,0,0,0,2|2,0,0]=4 260 B14R0.2681 CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N MCULE-9082720807 [0,0,0,0,0,2|2,0,0]=4 261 B14R0.2681 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N MCULE-1244633170 [0,0,0,0,0,2|2,0,0]=4 262 B14R0.2681 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N MCULE-3491825714 [0,0,0,0,0,2|2,0,0]=4 263 B14R0.2681 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O MCULE-8745403940 [0,0,0,0,0,2|1,0,0]=3 264 B14R0.2681 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O MCULE-9685891262 [0,0,0,0,0,2|1,0,0]=3 265 B14R0.2681 CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O MCULE-1076866298 [0,0,0,0,0,2|0,0,0]=2 266 B14R0.2681 CC(=O)N[C@@H](CSCCC(=O)N)C(=O)O MCULE-6912065154 [0,0,0,0,0,2|0,0,0]=2 267 B14R0.2681 N=C(N)NCCCC(NC(=O)N)C(=O)O MCULE-8161657988 [0,0,0,0,0,2|2,0,0]=4