0 B12R0.138 CC(=O)NC(CCC(=O)N)C(=O)O MCULE-1934887222 [0,0,0,0,0,0|2,0,0]=2 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|3,0,1]=4 4 B12R0.138 CC(=O)NC(CCS(=O)C)C(=O)O MCULE-2443247166 [0,0,0,0,0,0|3,0,0]=3 5 B12R0.138 CC(=O)NC(CSC(=O)C)C(=O)O MCULE-1484830678 [0,0,0,0,0,0|3,0,0]=3 6 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)N MCULE-5557467298 [0,0,0,0,0,0|3,0,0]=3 7 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-6381531194 [0,0,0,0,0,0|2,0,0]=2 8 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-7631228514 [0,0,0,0,0,0|2,0,0]=2 9 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 10 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 11 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 12 B12R0.138 CC(=O)N[C@@H](CCS(=O)C)C(=O)O MCULE-3134653535 [0,0,0,0,0,0|3,0,0]=3 13 B12R0.138 CC(=O)N[C@@H](CCS(=O)C)C(=O)O MCULE-6666697387 [0,0,0,0,0,0|3,0,0]=3 14 B12R0.138 CC(=O)N[C@@H](CSC(=O)C)C(=O)O MCULE-3391917785 [0,0,0,0,0,0|3,0,0]=3 15 B12R0.138 CC(=O)N[C@@H](CSC(=O)C)C(=O)O MCULE-5905408007 [0,0,0,0,0,0|3,0,0]=3 16 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 17 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 18 B12R0.138 CC(C)CC(CCC(=O)O)C(=O)O MCULE-5689039654 [0,0,0,0,0,0|3,0,1]=4 19 B12R0.138 N=C(N)NC(CCC(=O)O)C(=O)O MCULE-3525474442 [0,0,0,0,0,0|1,0,0]=1 20 B12R0.138 N=C(N)N[C@@H](CCC(=O)O)C(=O)O MCULE-2134783627 [0,0,0,0,0,0|1,0,0]=1 21 B12R0.138 N=C(N)N[C@@H](CCC(=O)O)C(=O)O MCULE-2158448069 [0,0,0,0,0,0|1,0,0]=1 22 B12R0.138 NC(=O)CCC(NC(=O)N)C(=O)O MCULE-8108551403 [0,0,0,0,0,0|1,0,0]=1 23 B12R0.138 NC(=O)NC(CCC(=O)O)C(=O)O MCULE-3205173370 [0,0,0,0,0,0|0,0,0]=0 24 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6817913906 [0,0,0,0,0,0|0,0,0]=0 25 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-8310604508 [0,0,0,0,0,0|0,0,0]=0 26 B12R0.138 O=C(O)C/C=C(\CC(=O)O)/C(=O)O MCULE-2192027081 [0,0,0,0,0,0|2,0,2]=4 27 B12R0.138 O=C(O)CC=C(CC(=O)O)C(=O)O MCULE-5009214475 [0,0,0,0,0,0|2,0,2]=4 28 B12R0.138 O=C(O)CCC(CC(=O)O)C(=O)O MCULE-2741994268 [0,0,0,0,0,0|2,0,0]=2 29 B12R0.138 O=C(O)CSC(CC(=O)O)C(=O)O MCULE-6689291865 [0,0,0,0,0,0|3,0,0]=3 30 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 31 B11R0.146 N/C=N/[C@@H](CCC(=O)O)C(=O)O MCULE-1122843385 [1,0,0,0,0,0|0,0,1]=2 32 B11R0.146 NC(=O)CCC(NC=O)C(=O)O MCULE-5875375171 [1,0,0,0,0,0|1,0,0]=2 33 B11R0.146 [C@@H](CCC(=O)N)(NCC)C(=O)O MCULE-6210892228 [1,0,0,0,0,0|2,0,1]=4 34 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O MCULE-1427956391 [1,0,0,0,0,0|2,0,1]=4 35 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O MCULE-1647417475 [1,0,0,0,0,0|2,0,1]=4 36 B11R0.160 CC(=O)N[C@@H](CSN=O)C(=O)O MCULE-4397408409 [1,0,0,0,0,0|3,0,0]=4 37 B11R0.160 CCCCC(NC(=O)C)C(=O)O MCULE-1796227277 [1,0,0,0,0,0|2,0,1]=4 38 B11R0.160 CCCCC(NC(=O)C)C(=O)O MCULE-2709462387 [1,0,0,0,0,0|2,0,1]=4 39 B11R0.160 CCCCC(NC(=O)N)C(=O)O MCULE-2177545582 [1,0,0,0,0,0|1,0,1]=3 40 B11R0.160 CCCC[C@@H](NC(=O)C)C(=O)O MCULE-5788818981 [1,0,0,0,0,0|2,0,1]=4 41 B11R0.160 CCCC[C@@H](NC(=O)C)C(=O)O MCULE-8915739057 [1,0,0,0,0,0|2,0,1]=4 42 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)O MCULE-3651693998 [1,0,0,0,0,0|2,0,1]=4 43 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)O MCULE-4560203101 [1,0,0,0,0,0|2,0,1]=4 44 B11R0.160 COCCC(NC(=O)C)C(=O)O MCULE-9296272594 [1,0,0,0,0,0|3,0,0]=4 45 B11R0.160 CSCCC(NC(=O)C)C(=O)O MCULE-6118079123 [1,0,0,0,0,0|3,0,0]=4 46 B11R0.160 CSCCC(NC(=O)N)C(=O)N MCULE-9253477279 [1,0,0,0,0,0|3,0,0]=4 47 B11R0.160 CSCCC(NC(=O)N)C(=O)O MCULE-8995512478 [1,0,0,0,0,0|2,0,0]=3 48 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)O MCULE-3164935915 [1,0,0,0,0,0|3,0,0]=4 49 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)O MCULE-9459431743 [1,0,0,0,0,0|3,0,0]=4 50 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)O MCULE-8710138272 [1,0,0,0,0,0|3,0,0]=4 51 B11R0.160 CSCC[C@H](NC(=O)N)C(=O)O MCULE-5006828039 [1,0,0,0,0,0|2,0,0]=3 52 B11R0.160 [C@@H](CCSC)(NC(=O)C)C(=O)O MCULE-5012891970 [1,0,0,0,0,0|3,0,0]=4 53 B13R0.253 COC(=O)C(CCC(=O)O)CC(=O)O MCULE-8387000919 [0,1,0,0,0,0|2,0,0]=3 54 B13R0.253 COC(=O)C(CCC(=O)O)NC(=O)C MCULE-5671718877 [0,1,0,0,0,0|1,0,0]=2 55 B13R0.253 COC(=O)C(CSC(=O)C)NC(=O)C MCULE-6436516197 [0,1,0,0,0,0|3,0,0]=4 56 B13R0.253 COC(=O)[C@H](CCC(=O)O)NC(=O)C MCULE-1802205404 [0,1,0,0,0,0|1,0,0]=2 57 B13R0.253 COC(=O)[C@H](CCC(=O)O)NC(=O)C MCULE-9268797259 [0,1,0,0,0,0|1,0,0]=2 58 B13R0.253 COC(=O)[C@H](CSC(=O)C)NC(=O)C MCULE-5779086310 [0,1,0,0,0,0|3,0,0]=4 59 B13R0.256 C(CCC(=O)O)(NC(=O)CN)C(=O)O MCULE-8962658243 [0,1,0,0,0,0|0,0,0]=1 60 B13R0.256 NCC(=O)NC(CCC(=O)N)C(=O)O MCULE-3110531396 [0,1,0,0,0,0|1,0,0]=2 61 B13R0.256 NCC(=O)NC(CCC(=O)N)C(=O)O MCULE-6671616669 [0,1,0,0,0,0|1,0,0]=2 62 B13R0.256 NCC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-1244645338 [0,1,0,0,0,0|1,0,0]=2 63 B13R0.256 NCC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-2949815729 [0,1,0,0,0,0|1,0,0]=2 64 B13R0.256 NCC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-5199747095 [0,1,0,0,0,0|0,0,0]=1 65 B13R0.256 NCC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6881676270 [0,1,0,0,0,0|0,0,0]=1 66 B13R0.256 NCC(=O)N[C@H](CCC(=O)N)C(=O)O MCULE-5116782906 [0,1,0,0,0,0|1,0,0]=2 67 B13R0.256 NCC(=O)N[C@H](CCC(=O)N)C(=O)O MCULE-6536814106 [0,1,0,0,0,0|1,0,0]=2 68 B13R0.432 CNC(=O)SCC(NC(=O)C)C(=O)O MCULE-8768637303 [0,1,0,0,0,0|3,0,0]=4 69 B13R0.432 CNC(=O)SC[C@H](NC(=O)C)C(=O)O MCULE-9033903226 [0,1,0,0,0,0|3,0,0]=4 70 B13R0.630 CC(=O)NC(CCP(=O)(C)O)C(=O)O MCULE-9863750171 [0,1,0,0,0,0|2,0,0]=3 71 B13R0.1418 O=C(O)CCC(CP(=O)(O)O)C(=O)O MCULE-3653331858 [0,1,0,0,0,0|3,0,0]=4 72 B13R1.893 NC(=O)CCC1NC(=O)CNC1=O MCULE-7911935689 [0,0,0,1,0,0|3,0,0]=4 73 B13R1.893 NC(=O)CC[C@@H]1NC(=O)CNC1=O MCULE-5129469801 [0,0,0,1,0,0|3,0,0]=4 74 B13R1.893 NC(=O)CC[C@@H]1NC(=O)CNC1=O MCULE-7820355645 [0,0,0,1,0,0|3,0,0]=4 75 B13R1.893 O=C(O)CCN1NC(=O)C=CC1=O MCULE-1381318883 [0,0,0,1,0,0|3,0,0]=4 76 B13R1.893 O=C(O)CC[C@@H]1NC(=O)CNC1=O MCULE-2125890084 [0,0,0,1,0,0|2,0,0]=3 77 B13R1.893 O=C(O)CC[C@@H]1NC(=O)CNC1=O MCULE-5531427735 [0,0,0,1,0,0|2,0,0]=3 78 B13R1.5889 O=C(O)CC1(CCC(=O)O1)C(=O)O MCULE-2632878459 [0,0,0,1,0,0|2,0,0]=3 79 B11R0.28 CC(=O)CCC(C(=O)C)C(=O)C MCULE-3780673236 [0,0,0,0,1,0|3,0,0]=4 80 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O MCULE-4285872078 [0,0,0,0,1,0|1,0,1]=3 81 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O MCULE-7706960153 [0,0,0,0,1,0|1,0,1]=3 82 B11R0.28 CN(C)[C@@H](CCC(=O)O)C(=O)O MCULE-2784771552 [0,0,0,0,1,0|3,0,0]=4 83 B11R0.28 CN(C)[C@H](CCC(=O)O)C(=O)O MCULE-7024104536 [0,0,0,0,1,0|3,0,0]=4 84 B11R0.28 NC(=O)CCC(C(=O)O)C(=O)O MCULE-8933018983 [0,0,0,0,1,0|2,0,0]=3 85 B11R0.32 C=C(C)CC(NC(=O)C)C(=O)O MCULE-7639004071 [0,0,0,0,1,0|3,0,0]=4 86 B11R0.32 C=C(C)C[C@H](NC(=O)C)C(=O)O MCULE-8601164722 [0,0,0,0,1,0|3,0,0]=4 87 B11R0.32 C=C(C)C[C@H](NC(=O)C)C(=O)O MCULE-8880296601 [0,0,0,0,1,0|3,0,0]=4 88 B11R0.32 CC(=O)NC(CC(=O)N)C(=O)O MCULE-4878635005 [0,0,0,0,1,0|2,0,0]=3 89 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)N MCULE-5157971327 [0,0,0,0,1,0|2,0,0]=3 90 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O MCULE-8912395007 [0,0,0,0,1,0|1,0,0]=2 91 B11R0.32 CC(=O)NC(CC(=O)[O-])C(=O)[O-] MCULE-4482924233 [0,0,0,0,1,0|1,0,2]=4 92 B11R0.32 CC(=O)N[C@@H](CC(=O)N)C(=O)O MCULE-4594531393 [0,0,0,0,1,0|2,0,0]=3 93 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 94 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 95 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 96 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 97 B11R0.32 CC(=O)N[C@H](CC(=O)N)C(=O)O MCULE-2258546008 [0,0,0,0,1,0|2,0,0]=3 98 B11R0.32 CC(=O)N[C@H](CC(=O)N)C(=O)O MCULE-5563097482 [0,0,0,0,1,0|2,0,0]=3 99 B11R0.32 CC(C)CC(NC(=O)N)C(=O)O MCULE-3278114292 [0,0,0,0,1,0|2,0,1]=4 100 B11R0.32 CC(C)C[C@H](NC(=O)N)C(=O)O MCULE-3333503554 [0,0,0,0,1,0|2,0,1]=4 101 B11R0.32 N=C(N)NC(CC(=O)O)C(=O)O MCULE-4241233413 [0,0,0,0,1,0|1,0,0]=2 102 B11R0.32 N=C(N)N[C@@H](CC(=O)O)C(=O)O MCULE-5013210070 [0,0,0,0,1,0|1,0,0]=2 103 B11R0.32 N=C(N)N[C@@H](CC(=O)O)C(=O)O MCULE-9253749740 [0,0,0,0,1,0|1,0,0]=2 104 B11R0.32 NC(=O)CC(CC(=O)N)C(=O)N MCULE-2785332198 [0,0,0,0,1,0|3,0,0]=4 105 B11R0.32 NC(=O)CC(NC(=O)N)C(=O)O MCULE-1904738893 [0,0,0,0,1,0|1,0,0]=2 106 B11R0.32 NC(=O)NC(CC(=O)O)C(=O)O MCULE-1014975815 [0,0,0,0,1,0|0,0,0]=1 107 B11R0.32 NC(=O)NC(NC(=O)N)C(=O)O MCULE-5327019203 [0,0,0,0,1,0|2,0,0]=3 108 B11R0.32 NC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-2523426634 [0,0,0,0,1,0|0,0,0]=1 109 B11R0.32 NC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-3753948535 [0,0,0,0,1,0|0,0,0]=1 110 B11R0.32 NC(=S)NC(CC(=O)O)C(=O)O MCULE-3942512238 [0,0,0,0,1,0|0,1,0]=2 111 B11R0.32 O=C(O)/C=C(/CC(=O)O)\C(=O)O MCULE-4820808264 [0,0,0,0,1,0|2,0,1]=4 112 B11R0.32 O=C(O)/C=C(\CC(=O)O)/C(=O)O MCULE-8825041724 [0,0,0,0,1,0|2,0,1]=4 113 B11R0.32 O=C(O)C=C(CC(=O)O)C(=O)O MCULE-2952775308 [0,0,0,0,1,0|2,0,1]=4 114 B11R0.32 O=C(O)CC(CC(=O)O)C(=O)O MCULE-6198986604 [0,0,0,0,1,0|2,0,0]=3 115 B11R0.32 [C@@H](CC(=O)N)(NC(=O)C)C(=O)O MCULE-3763271453 [0,0,0,0,1,0|2,0,0]=3 116 B13R0.53 CC(=O)NN=C(CCC(=O)O)C(=O)O MCULE-8274929083 [0,0,0,0,0,1|1,0,1]=3 117 B13R0.53 NC(=O)NN=C(CCC(=O)O)C(=O)O MCULE-7798146890 [0,0,0,0,0,1|0,0,1]=2 118 B13R0.53 NC(=S)NN=C(CCC(=O)O)C(=O)O MCULE-4697823487 [0,0,0,0,0,1|0,1,1]=3 119 B13R0.53 O=C(O)CCC(CCC(=O)O)C(=O)O MCULE-8962977101 [0,0,0,0,0,1|2,0,0]=3 120 B13R0.177 O=C(O)CCN(CC(=O)O)CC(=O)O MCULE-8704112308 [0,0,0,0,0,1|3,0,0]=4 121 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-7159441787 [2,0,0,0,0,0|0,0,1]=3 122 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-9982940361 [2,0,0,0,0,0|0,0,1]=3 123 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)O MCULE-1463462281 [2,0,0,0,0,0|1,0,1]=4 124 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-1322979818 [2,0,0,0,0,0|0,0,1]=3 125 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-9405643691 [2,0,0,0,0,0|0,0,1]=3 126 B10R0.84 CN[C@H](CCC(=O)N)C(=O)O MCULE-2123714471 [2,0,0,0,0,0|1,0,1]=4 127 B10R0.84 CN[C@H](CCC(=O)O)C(=O)O MCULE-1735782000 [2,0,0,0,0,0|0,0,1]=3 128 B10R0.84 NN=C(CCC(=O)O)C(=O)O MCULE-4661582416 [2,0,0,0,0,0|0,0,2]=4 129 B10R0.88 CCCC[C@H](NC=O)C(=O)O MCULE-4509479689 [2,0,0,0,0,0|1,0,1]=4 130 B10R0.88 CCCC[C@H](NC=O)C(=O)O MCULE-9386007072 [2,0,0,0,0,0|1,0,1]=4 131 B10R0.88 CSCCC(NC=O)C(=O)O MCULE-1321874627 [2,0,0,0,0,0|2,0,0]=4 132 B10R0.88 CSCC[C@@H](NC=O)C(=O)O MCULE-1193383828 [2,0,0,0,0,0|2,0,0]=4 133 B10R0.88 CSCC[C@H](NC=O)C(=O)O MCULE-6184653272 [2,0,0,0,0,0|2,0,0]=4 134 B10R0.88 CSCC[C@H](NC=O)C(=O)O MCULE-8050291491 [2,0,0,0,0,0|2,0,0]=4 135 B10R0.23 C=CCC(NC(=O)C)C(=O)O MCULE-7609607910 [2,0,0,0,0,0|1,0,1]=4 136 B10R0.23 CC(=O)NC(CCO)C(=O)O MCULE-2399187108 [2,0,0,0,0,0|1,0,0]=3 137 B10R0.23 CC(=O)N[C@@H](CCS)C(=O)O MCULE-9792008044 [2,0,0,0,0,0|1,1,0]=4 138 B10R0.23 CCCC(NC(=O)C)C(=O)O MCULE-3719218412 [2,0,0,0,0,0|1,0,1]=4 139 B10R0.23 CCCC(NC(=O)N)C(=O)O MCULE-3451078854 [2,0,0,0,0,0|0,0,1]=3 140 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)O MCULE-7396030806 [2,0,0,0,0,0|1,0,1]=4 141 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)O MCULE-7424603595 [2,0,0,0,0,0|1,0,1]=4 142 B10R0.23 CCC[C@@H](NC(=O)N)C(=O)O MCULE-4836272670 [2,0,0,0,0,0|0,0,1]=3 143 B10R0.23 CCC[C@H](NC(=O)C)C(=O)O MCULE-2905526129 [2,0,0,0,0,0|1,0,1]=4 144 B10R0.23 CCC[C@H](NC(=O)C)C(=O)O MCULE-6395010914 [2,0,0,0,0,0|1,0,1]=4 145 B12R0.55 N/N=C/N[C@@H](CCC(=O)O)C(=O)O MCULE-2421282450 [1,1,0,0,0,0|0,0,0]=2 146 B12R0.55 O=CNN=C(CCC(=O)O)C(=O)O MCULE-8497666152 [1,1,0,0,0,0|0,0,1]=3 147 B12R0.120 C=CCSCC(NC(=O)C)C(=O)O MCULE-3064329228 [1,1,0,0,0,0|2,0,0]=4 148 B12R0.120 C=CCSC[C@H](NC(=O)C)C(=O)O MCULE-7322007743 [1,1,0,0,0,0|2,0,0]=4 149 B12R0.120 CC(=O)N[C@@H](CSCCO)C(=O)O MCULE-8868188800 [1,1,0,0,0,0|1,0,1]=4 150 B12R0.129 CCCCC(NC(=O)CN)C(=O)O MCULE-1003008344 [1,1,0,0,0,0|1,0,1]=4 151 B12R0.129 CSCCC(NC(=O)CN)C(=O)O MCULE-4509739617 [1,1,0,0,0,0|2,0,0]=4 152 B12R0.129 CSCC[C@H](NC(=O)CN)C(=O)O MCULE-1237894856 [1,1,0,0,0,0|2,0,0]=4 153 B12R0.129 CSCC[C@H](NC(=O)CN)C(=O)O MCULE-9573195638 [1,1,0,0,0,0|2,0,0]=4 154 B12R0.129 [C@@H](CCCC)(NC(=O)CN)C(=O)O MCULE-9428552827 [1,1,0,0,0,0|1,0,1]=4 155 B12R0.146 COC(=O)CCC(C(=O)C)C(=O)C MCULE-7659617447 [0,1,0,0,1,0|2,0,0]=4 156 B12R0.339 NC(CC(C(=O)O)C(=O)O)C(=O)O MCULE-9211852409 [0,1,0,0,1,0|1,0,0]=3 157 B12R0.339 N[C@@H](CC(C(=O)O)C(=O)O)C(=O)O MCULE-3470440072 [0,1,0,0,1,0|1,0,0]=3 158 B12R0.43 C=C(C(=O)O)C(CC(=O)O)C(=O)O MCULE-2499412105 [0,1,0,0,1,0|2,0,0]=4 159 B12R0.43 O=C(O)CC(C(=O)O)C(O)C(=O)O MCULE-1207186330 [0,1,0,0,1,0|2,0,0]=4 160 B12R0.43 O=C(O)CC(C(=O)O)C(O)C(=O)[O-] MCULE-3358127861 [0,1,0,0,1,0|2,0,0]=4 161 B12R0.180 COC(=O)[C@H](CC(=O)N)NC(=O)C MCULE-2578528413 [0,1,0,0,1,0|2,0,0]=4 162 B12R0.180 COC(=O)[C@H](CC(=O)O)NC(=O)C MCULE-4232811063 [0,1,0,0,1,0|1,0,0]=3 163 B12R0.180 COC(=O)[C@H](CC(=O)O)NC(=O)C MCULE-8813052646 [0,1,0,0,1,0|1,0,0]=3 164 B12R0.393 CS(=O)(=O)NC(CC(=O)O)C(=O)O MCULE-4453340004 [0,1,0,0,1,0|2,0,0]=4 165 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-2660877701 [0,1,0,0,1,0|2,0,0]=4 166 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-2931604113 [0,1,0,0,1,0|2,0,0]=4 167 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-3614590728 [0,1,0,0,1,0|2,0,0]=4 168 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-3854575300 [0,1,0,0,1,0|2,0,0]=4 169 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-3884812253 [0,1,0,0,1,0|2,0,0]=4 170 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-5083901722 [0,1,0,0,1,0|2,0,0]=4 171 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-5494663375 [0,1,0,0,1,0|2,0,0]=4 172 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-6168221722 [0,1,0,0,1,0|2,0,0]=4 173 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-7286832107 [0,1,0,0,1,0|2,0,0]=4 174 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-7461989018 [0,1,0,0,1,0|2,0,0]=4 175 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-7981253226 [0,1,0,0,1,0|2,0,0]=4 176 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-8070167250 [0,1,0,0,1,0|2,0,0]=4 177 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-8474985285 [0,1,0,0,1,0|2,0,0]=4 178 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-9281390239 [0,1,0,0,1,0|2,0,0]=4 179 B12R0.694 O=C([O-])CC(O)(CC(=O)O)C(=O)O MCULE-3431792506 [0,1,0,0,1,0|2,0,0]=4 180 B14R0.255 COC(=O)CCC(=NNC(=O)N)C(=O)O MCULE-1767681965 [0,1,0,0,0,1|0,0,1]=3 181 B14R0.1418 CC(N)C(=O)NC(CCC(=O)O)C(=O)O MCULE-1123261561 [0,1,0,0,0,1|1,0,1]=4 182 B14R0.1418 C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-2057854789 [0,1,0,0,0,1|1,0,1]=4 183 B14R0.1418 C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-2895373925 [0,1,0,0,0,1|1,0,1]=4 184 B14R0.3411 CC(CCC(=O)O)(CCC(=O)O)C(=O)O MCULE-2740735277 [0,1,0,0,0,1|2,0,0]=4 185 B14R0.905 N[C@@H](CSC(CC(=O)O)C(=O)O)C(=O)O MCULE-9654691808 [0,1,0,0,0,1|2,0,0]=4 186 B14R0.352 NCP(=O)(O)CC(CCC(=O)O)C(=O)O MCULE-6801042289 [0,2,0,0,0,0|2,0,0]=4 187 B12R1.861 NC(=O)CCC1NC(=O)OC1=O MCULE-4302908311 [1,0,0,1,0,0|2,0,0]=4 188 B12R1.861 NC(=O)CC[C@@H]1NC(=O)OC1=O MCULE-7370024729 [1,0,0,1,0,0|2,0,0]=4 189 B12R1.861 O=C(O)CCC1NC(=O)NC1=O MCULE-4043775084 [1,0,0,1,0,0|0,0,0]=2 190 B12R1.861 O=C(O)CCC1NC(=S)NC1=O MCULE-1541938813 [1,0,0,1,0,0|0,1,0]=3 191 B12R1.861 O=C(O)CC[C@@H]1NC(=O)NC1=O MCULE-7004335123 [1,0,0,1,0,0|0,0,0]=2 192 B12R1.861 O=C(O)CC[C@@H]1NC(=O)NC1=O MCULE-9084301148 [1,0,0,1,0,0|0,0,0]=2 193 B12R1.258 O=C(O)C1CCNC(C1)C(=O)O MCULE-5359047625 [1,0,0,1,0,0|1,0,1]=4 194 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]=4 195 B12R1.1218 O=C1CCC(NC(=O)N1)C(=O)O MCULE-1500901584 [1,0,0,1,0,0|1,0,0]=3 196 B12R1.261 NC(=O)N1CCCCC1C(=O)O MCULE-9551488406 [1,0,0,1,0,0|1,0,1]=4 197 B12R1.895 CC1=NNC(=O)C1CCC(=O)O MCULE-4918892500 [0,0,0,1,1,0|2,0,0]=4 198 B12R1.895 CC1=NOC(=O)C1CCC(=O)O MCULE-9449017455 [0,0,0,1,1,0|1,0,1]=4 199 B12R1.895 O=C(O)CCN1C(=O)NNC1=O MCULE-3428792986 [0,0,0,1,1,0|2,0,0]=4 200 B12R1.1380 O=C(O)C1CC1(C(=O)O)C(=O)O MCULE-4833614903 [0,0,0,1,1,0|1,0,0]=3 201 B12R1.127 O=C(O)C[C@@H]1NC(=O)CNC1=O MCULE-6849055240 [0,0,0,1,1,0|2,0,0]=4 202 B12R1.127 O=C(O)C[C@@H]1NC(=O)CNC1=O MCULE-9161646901 [0,0,0,1,1,0|2,0,0]=4 203 B12R1.850 NC(=O)N1CC(CC1C(=O)O)O MCULE-4811638403 [0,0,0,1,1,0|1,0,1]=4 204 B12R1.850 O=C1CC(C(C1)C(=O)O)C(=O)O MCULE-4393869476 [0,0,0,1,1,0|2,0,0]=4 205 B12R1.850 O=C1CC(C(O1)C(=O)O)C(=O)O MCULE-6848457652 [0,0,0,1,1,0|2,0,0]=4 206 B12R1.850 O=C1CC([C@@H](C1)C(=O)O)C(=O)O MCULE-9478964359 [0,0,0,1,1,0|2,0,0]=4 207 B14R1.3150 CN1CC(=O)NC(C1=O)CCC(=O)O MCULE-5599056501 [0,1,0,1,0,0|2,0,0]=4 208 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]=4 209 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]=4 210 B14R1.16679 N[C@H](C(=O)O)C1[C@H]([C@@H]1C(=O)O)C(=O)O MCULE-7992438283 [0,1,0,1,0,0|2,0,0]=4 211 B12R0.41 NC(=O)CN(CC(=O)O)CC(=O)O MCULE-7776883622 [0,0,0,0,1,1|2,0,0]=4 212 B12R0.41 NC(=O)NN(CC(=O)O)CC(=O)O MCULE-1023550972 [0,0,0,0,1,1|1,0,0]=3 213 B12R0.41 NC(=S)NN(CC(=O)O)CC(=O)O MCULE-6440234250 [0,0,0,0,1,1|1,1,0]=4 214 B14R0.2681 CC(=O)NC(CCCNC(=O)N)C(=O)O MCULE-4292894856 [0,0,0,0,0,2|2,0,0]=4 215 B14R0.2681 CC(=O)NC(CCCNC(=O)N)C(=O)O MCULE-4794847382 [0,0,0,0,0,2|2,0,0]=4 216 B14R0.2681 CC(=O)NCCC[C@H](NC(=O)C)C(=O)O MCULE-3653465876 [0,0,0,0,0,2|2,0,0]=4 217 B14R0.2681 CC(=O)NCCC[C@H](NC(=O)C)C(=O)O MCULE-4823120484 [0,0,0,0,0,2|2,0,0]=4 218 B14R0.2681 CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O MCULE-1076866298 [0,0,0,0,0,2|2,0,0]=4 219 B14R0.2681 CC(=O)N[C@@H](CSCCC(=O)N)C(=O)O MCULE-6912065154 [0,0,0,0,0,2|2,0,0]=4 220 B14R0.2681 N=C(N)NCCCC(NC(=O)N)C(=O)O MCULE-8161657988 [0,0,0,0,0,2|2,0,0]=4