0 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-2660877701 [0,0,0,0,0,0|0,0,0]=0 1 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-2931604113 [0,0,0,0,0,0|0,0,0]=0 2 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-3614590728 [0,0,0,0,0,0|0,0,0]=0 3 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-3854575300 [0,0,0,0,0,0|0,0,0]=0 4 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-3884812253 [0,0,0,0,0,0|0,0,0]=0 5 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-5083901722 [0,0,0,0,0,0|0,0,0]=0 6 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-5494663375 [0,0,0,0,0,0|0,0,0]=0 7 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-6168221722 [0,0,0,0,0,0|0,0,0]=0 8 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-7286832107 [0,0,0,0,0,0|0,0,0]=0 9 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-7461989018 [0,0,0,0,0,0|0,0,0]=0 10 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-7981253226 [0,0,0,0,0,0|0,0,0]=0 11 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-8070167250 [0,0,0,0,0,0|0,0,0]=0 12 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-8474985285 [0,0,0,0,0,0|0,0,0]=0 13 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-9281390239 [0,0,0,0,0,0|0,0,0]=0 14 B12R0.694 O=C([O-])CC(O)(CC(=O)O)C(=O)O MCULE-3431792506 [0,0,0,0,0,0|0,0,1]=1 15 B12R0.694 O=C([O-])CC(O)(CC(=O)O)C(=O)[O-] MCULE-2564662602 [0,0,0,0,0,0|0,0,2]=2 16 B12R0.694 O=C([O-])CC(O)(CC(=O)O)C(=O)[O-] MCULE-7204480298 [0,0,0,0,0,0|0,0,2]=2 17 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)O MCULE-9960111669 [0,0,0,0,0,0|0,0,2]=2 18 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] MCULE-1385479275 [0,0,0,0,0,0|0,0,3]=3 19 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] MCULE-2140052675 [0,0,0,0,0,0|0,0,3]=3 20 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] MCULE-2558782578 [0,0,0,0,0,0|0,0,3]=3 21 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] MCULE-3883941838 [0,0,0,0,0,0|0,0,3]=3 22 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] MCULE-4187230008 [0,0,0,0,0,0|0,0,3]=3 23 B12R0.694 O=C([O-])CC([O-])(CC(=O)[O-])C(=O)O MCULE-4695793534 [0,0,0,0,0,0|0,0,3]=3 24 B12R0.694 O=C([O-])CC([O-])(CC(=O)[O-])C(=O)[O-] MCULE-7093281153 [0,0,0,0,0,0|0,0,4]=4 25 B12R0.694 O=C([O-])CC([O-])(CC(=O)[O-])C(=O)[O-] MCULE-8138163683 [0,0,0,0,0,0|0,0,4]=4 26 B11R0.32 CC(=O)NC(CC(=O)N)C(=O)O MCULE-4878635005 [1,0,0,0,0,0|3,0,0]=4 27 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)N MCULE-5157971327 [1,0,0,0,0,0|3,0,0]=4 28 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O MCULE-8912395007 [1,0,0,0,0,0|2,0,0]=3 29 B11R0.32 CC(=O)N[C@@H](CC(=O)N)C(=O)O MCULE-4594531393 [1,0,0,0,0,0|3,0,0]=4 30 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)N MCULE-2089104598 [1,0,0,0,0,0|3,0,0]=4 31 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)N MCULE-2463301038 [1,0,0,0,0,0|3,0,0]=4 32 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-2346017798 [1,0,0,0,0,0|2,0,0]=3 33 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-5208660790 [1,0,0,0,0,0|2,0,0]=3 34 B11R0.32 CC(=O)N[C@H](CC(=O)N)C(=O)O MCULE-2258546008 [1,0,0,0,0,0|3,0,0]=4 35 B11R0.32 CC(=O)N[C@H](CC(=O)N)C(=O)O MCULE-5563097482 [1,0,0,0,0,0|3,0,0]=4 36 B11R0.32 CC(C)C(CC(=O)O)CC(=O)O MCULE-6857247229 [1,0,0,0,0,0|2,0,1]=4 37 B11R0.32 CC(C)CC(CC(=O)O)C(=O)O MCULE-4610463681 [1,0,0,0,0,0|2,0,1]=4 38 B11R0.32 N=C(N)NC(CC(=O)O)C(=O)O MCULE-4241233413 [1,0,0,0,0,0|3,0,0]=4 39 B11R0.32 N=C(N)N[C@@H](CC(=O)O)C(=O)O MCULE-5013210070 [1,0,0,0,0,0|3,0,0]=4 40 B11R0.32 N=C(N)N[C@@H](CC(=O)O)C(=O)O MCULE-9253749740 [1,0,0,0,0,0|3,0,0]=4 41 B11R0.32 NC(=O)CC(CC(=O)N)C(=O)N MCULE-2785332198 [1,0,0,0,0,0|3,0,0]=4 42 B11R0.32 NC(=O)CC(NC(=O)N)C(=O)O MCULE-1904738893 [1,0,0,0,0,0|3,0,0]=4 43 B11R0.32 NC(=O)N(CC(=O)O)CC(=O)O MCULE-6956304715 [1,0,0,0,0,0|2,0,0]=3 44 B11R0.32 NC(=O)NC(CC(=O)O)C(=O)O MCULE-1014975815 [1,0,0,0,0,0|2,0,0]=3 45 B11R0.32 NC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-2523426634 [1,0,0,0,0,0|2,0,0]=3 46 B11R0.32 NC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-3753948535 [1,0,0,0,0,0|2,0,0]=3 47 B11R0.32 NC(=S)NC(CC(=O)O)C(=O)O MCULE-3942512238 [1,0,0,0,0,0|2,1,0]=4 48 B11R0.32 O=C(O)/C=C(/CC(=O)O)\C(=O)O MCULE-4820808264 [1,0,0,0,0,0|0,0,2]=3 49 B11R0.32 O=C(O)/C=C(\CC(=O)O)/C(=O)O MCULE-8825041724 [1,0,0,0,0,0|0,0,2]=3 50 B11R0.32 O=C(O)C=C(CC(=O)O)C(=O)O MCULE-2952775308 [1,0,0,0,0,0|0,0,2]=3 51 B11R0.32 O=C(O)CC(CC(=O)O)C(=O)O MCULE-6198986604 [1,0,0,0,0,0|0,0,0]=1 52 B11R0.32 O=C(O)CN(CC(=O)O)N(=O)=O MCULE-8303732787 [1,0,0,0,0,0|2,0,1]=4 53 B11R0.32 [C@@H](CC(=O)N)(NC(=O)C)C(=O)O MCULE-3763271453 [1,0,0,0,0,0|3,0,0]=4 54 B11R0.210 CCC(C)(CC(=O)O)CC(=O)O MCULE-3159318035 [1,0,0,0,0,0|2,0,1]=4 55 B13R0.904 COC(=O)CC(O)(CC(=O)O)C(=O)O MCULE-9940746723 [0,1,0,0,0,0|0,0,0]=1 56 B13R0.1101 COC(=O)C(O)(CC(=O)O)CC(=O)O MCULE-7700993758 [0,1,0,0,0,0|0,0,0]=1 57 B13R0.1420 CC(C(=O)O)C(O)(CC(=O)O)C(=O)O MCULE-2499253856 [0,1,0,0,0,0|0,0,0]=1 58 B13R0.1420 CC(C(=O)[O-])C(O)(CC(=O)[O-])C(=O)[O-] MCULE-2996267760 [0,1,0,0,0,0|0,0,3]=4 59 B13R0.1420 O=C(O)CC(O)(C(=O)O)C(Cl)C(=O)O MCULE-3938532426 [0,1,0,0,0,0|0,0,0]=1 60 B13R0.1420 O=C(O)CC(O)(C(=O)O)C(O)C(=O)O MCULE-7677425769 [0,1,0,0,0,0|0,0,0]=1 61 B13R0.1420 O=C(O)CC(O)(C(=O)O)C(O)C(=O)[O-] MCULE-7798560211 [0,1,0,0,0,0|0,0,1]=2 62 B13R0.1420 O=C(O)C[C@@](O)(C(=O)O)[C@H](O)C(=O)O MCULE-1485482420 [0,1,0,0,0,0|0,0,0]=1 63 B13R0.1420 O=C(O)C[C@@](O)(C(=O)O)[C@H](O)C(=O)O MCULE-2212140671 [0,1,0,0,0,0|0,0,0]=1 64 B13R0.1420 O=C([O-])CC(O)(C(=O)[O-])C(O)C(=O)[O-] MCULE-3021285347 [0,1,0,0,0,0|0,0,3]=4 65 B13R1.2023 O=C(O)CC1(OC1C(=O)O)C(=O)[O-] MCULE-5309657560 [0,0,0,1,0,0|0,0,1]=2 66 B13R1.2023 O=C(O)CC1(OC1C(=O)O)C(=O)[O-] MCULE-5518818326 [0,0,0,1,0,0|0,0,1]=2 67 B13R1.3475 C1(CC(=O)OC1(C)C(=O)O)C(=O)O MCULE-1895859964 [0,0,0,1,0,0|3,0,0]=4 68 B13R1.3475 O=C1C[C@@]([C@H](O1)C(=O)O)(O)C(=O)O MCULE-6114315628 [0,0,0,1,0,0|0,0,0]=1 69 B13R1.3475 O=C1C[C@@]([C@H](O1)C(=O)O)(O)C(=O)O MCULE-7321149696 [0,0,0,1,0,0|0,0,0]=1 70 B13R1.5889 O=C(O)CC1(CCC(=O)O1)C(=O)O MCULE-2632878459 [0,0,0,1,0,0|3,0,0]=4 71 B11R0.427 CC(C)C(O)(CC(=O)O)C(=O)O MCULE-3688505128 [0,0,0,0,1,0|2,0,1]=4 72 B13R0.617 O=C([O-])CC[C@@](O)(CC(=O)[O-])C(=O)[O-] MCULE-2125764173 [0,0,0,0,0,1|0,0,3]=4 73 B13R0.617 O=C([O-])CC[C@@](O)(CC(=O)[O-])C(=O)[O-] MCULE-8455838886 [0,0,0,0,0,1|0,0,3]=4 74 B10R0.23 CCCC(CC(=O)O)C(=O)O MCULE-5222720019 [2,0,0,0,0,0|1,0,1]=4 75 B10R0.23 COCC(CC(=O)O)C(=O)O MCULE-7211279043 [2,0,0,0,0,0|2,0,0]=4 76 B10R0.23 O=CNC(CC(=O)O)C(=O)O MCULE-1319737382 [2,0,0,0,0,0|1,0,0]=3 77 B10R0.119 CC(CN)(CC(=O)O)C(=O)O MCULE-2103588985 [2,0,0,0,0,0|2,0,0]=4 78 B10R0.119 CC(CN)(CC(=O)O)C(=O)O MCULE-8467010129 [2,0,0,0,0,0|2,0,0]=4 79 B10R0.119 CCC(C)(CC(=O)O)C(=O)O MCULE-5857208842 [2,0,0,0,0,0|1,0,1]=4 80 B10R0.165 CC(C)(CC(=O)O)CC(=O)O MCULE-3688310273 [2,0,0,0,0,0|1,0,1]=4 81 B10R0.165 CC(O)(CC(=O)O)CC(=O)O MCULE-9846508304 [2,0,0,0,0,0|0,0,1]=3 82 B10R0.165 O=C(O)CC(F)(F)CC(=O)O MCULE-1340481205 [2,0,0,0,0,0|2,0,0]=4 83 B10R0.165 O=C(O)CS(=O)(=O)CC(=O)O MCULE-1359587275 [2,0,0,0,0,0|1,0,1]=4 84 B12R0.43 C=C(C(=O)O)C(CC(=O)O)C(=O)O MCULE-2499412105 [1,1,0,0,0,0|0,0,1]=3 85 B12R0.43 O=C(O)CC(C(=O)O)C(O)C(=O)O MCULE-1207186330 [1,1,0,0,0,0|0,0,0]=2 86 B12R0.43 O=C(O)CC(C(=O)O)C(O)C(=O)[O-] MCULE-3358127861 [1,1,0,0,0,0|0,0,1]=3 87 B12R0.43 O=C(O)C[C@@H](C(=O)[O-])[C@@H](O)C(=O)O MCULE-6280875375 [1,1,0,0,0,0|0,0,1]=3 88 B12R0.43 O=C(O)C[C@@H](C(=O)[O-])[C@@H](O)C(=O)O MCULE-9197214556 [1,1,0,0,0,0|0,0,1]=3 89 B12R0.151 COC(=O)CC(NC(=O)C)C(=O)O MCULE-1434400963 [1,1,0,0,0,0|2,0,0]=4 90 B12R0.151 COC(=O)C[C@H](NC(=O)C)C(=O)O MCULE-2116301658 [1,1,0,0,0,0|2,0,0]=4 91 B12R0.151 COC(=O)C[C@H](NC(=O)C)C(=O)O MCULE-8794138861 [1,1,0,0,0,0|2,0,0]=4 92 B12R0.151 NCC(=O)NC(CC(=O)O)C(=O)O MCULE-1425948003 [1,1,0,0,0,0|2,0,0]=4 93 B12R0.151 NCC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-4535987354 [1,1,0,0,0,0|2,0,0]=4 94 B12R0.151 NCC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-6987619517 [1,1,0,0,0,0|2,0,0]=4 95 B12R0.151 O=C(O)CC(NC(=O)CCl)C(=O)O MCULE-3415784989 [1,1,0,0,0,0|2,0,0]=4 96 B12R0.180 COC(=O)[C@H](CC(=O)O)NC(=O)C MCULE-4232811063 [1,1,0,0,0,0|2,0,0]=4 97 B12R0.180 COC(=O)[C@H](CC(=O)O)NC(=O)C MCULE-8813052646 [1,1,0,0,0,0|2,0,0]=4 98 B12R0.393 O=C(O)CC(CP(=O)(O)O)C(=O)O MCULE-7584369439 [1,1,0,0,0,0|1,0,0]=3 99 B14R0.1662 COC(=O)CC(O)(CC(=O)O)C(=O)OC MCULE-1071325954 [0,2,0,0,0,0|0,0,0]=2 100 B14R0.3762 COC(=O)CC(O)(CC(=O)OC)C(=O)O MCULE-4273790047 [0,2,0,0,0,0|0,0,0]=2 101 B14R0.4687 CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O MCULE-6951963110 [0,2,0,0,0,0|1,0,0]=3 102 B12R1.850 O=C1CC(C(C1)C(=O)O)C(=O)O MCULE-4393869476 [1,0,0,1,0,0|1,0,0]=3 103 B12R1.850 O=C1CC(C(O1)C(=O)O)C(=O)O MCULE-6848457652 [1,0,0,1,0,0|0,0,0]=2 104 B12R1.850 O=C1CC([C@@H](C1)C(=O)O)C(=O)O MCULE-9478964359 [1,0,0,1,0,0|1,0,0]=3 105 B12R1.1380 O=C(O)C1CC1(C(=O)O)C(=O)O MCULE-4833614903 [0,0,0,1,1,0|1,0,0]=3 106 B10R0.164 O=C(O)C(O)(C(=O)O)C(=O)O MCULE-7977242018 [0,0,0,0,2,0|0,0,0]=2 107 B12R0.41 NC(=O)CN(CC(=O)O)CC(=O)O MCULE-7776883622 [1,0,0,0,0,1|2,0,0]=4 108 B12R0.41 NC(=O)NN(CC(=O)O)CC(=O)O MCULE-1023550972 [1,0,0,0,0,1|2,0,0]=4 109 B12R0.41 O=C(O)CN(CC(=O)O)CC(=O)O MCULE-5696288379 [1,0,0,0,0,1|1,0,0]=3 110 B12R0.138 CC(=O)NC(CCC(=O)O)C(=O)O MCULE-4246221126 [1,0,0,0,0,1|2,0,0]=4 111 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-2229199971 [1,0,0,0,0,1|2,0,0]=4 112 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6828522418 [1,0,0,0,0,1|2,0,0]=4 113 B12R0.138 CC(=O)N[C@H](CCC(=O)O)C(=O)O MCULE-5623672193 [1,0,0,0,0,1|2,0,0]=4 114 B12R0.138 CC(=O)N[C@H](CCC(=O)O)C(=O)O MCULE-6007670614 [1,0,0,0,0,1|2,0,0]=4 115 B12R0.138 NC(=O)NC(CCC(=O)O)C(=O)O MCULE-3205173370 [1,0,0,0,0,1|2,0,0]=4 116 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6817913906 [1,0,0,0,0,1|2,0,0]=4 117 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-8310604508 [1,0,0,0,0,1|2,0,0]=4 118 B12R0.138 O=C(O)C/C=C(\CC(=O)O)/C(=O)O MCULE-2192027081 [1,0,0,0,0,1|0,0,1]=3 119 B12R0.138 O=C(O)CC=C(CC(=O)O)C(=O)O MCULE-5009214475 [1,0,0,0,0,1|0,0,1]=3 120 B12R0.138 O=C(O)CCC(CC(=O)O)C(=O)O MCULE-2741994268 [1,0,0,0,0,1|0,0,0]=2 121 B12R0.138 O=C(O)CSC(CC(=O)O)C(=O)O MCULE-6689291865 [1,0,0,0,0,1|0,0,0]=2 122 B12R0.138 [C@@H](CCC(=O)O)(NC(=O)C)C(=O)O MCULE-7234857249 [1,0,0,0,0,1|2,0,0]=4 123 B14R0.3411 CC(=O)C(C)(CCC(=O)O)CCC(=O)O MCULE-2186257830 [0,0,0,0,0,2|2,0,0]=4 124 B14R0.3411 CC(CCC(=O)O)(CCC(=O)O)C(=O)O MCULE-2740735277 [0,0,0,0,0,2|1,0,0]=3