0 B11R0.3 CCCCCCCCCCCC MCULE-3947157412 [0,0,0,0,0,0|4,0,0]=4 1 B11R0.3 CCCCCCCCCCNC MCULE-1416369118 [0,0,0,0,0,0|4,0,0]=4 2 B11R0.3 CCCCCCCCCCNC MCULE-6168905746 [0,0,0,0,0,0|4,0,0]=4 3 B11R0.3 CCCCCCCCCCOC MCULE-1264379510 [0,0,0,0,0,0|3,0,0]=3 4 B11R0.3 CCCCCCCCCCON MCULE-2069797576 [0,0,0,0,0,0|4,0,0]=4 5 B11R0.3 CCCCCCCCCCON MCULE-7830749583 [0,0,0,0,0,0|4,0,0]=4 6 B11R0.3 CCCCCCCCCCSC MCULE-7334657081 [0,0,0,0,0,0|3,1,0]=4 7 B11R0.3 CCCCCCCNCCCC MCULE-4951242533 [0,0,0,0,0,0|4,0,0]=4 8 B11R0.3 CCCCCCNCCCOC MCULE-6742672078 [0,0,0,0,0,0|4,0,0]=4 9 B11R0.3 CCCCNCCNCCCC MCULE-3139037318 [0,0,0,0,0,0|4,0,0]=4 10 B11R0.3 CCCCNCCOCCCC MCULE-4594910638 [0,0,0,0,0,0|3,0,0]=3 11 B11R0.3 CCCCOCCOCCCC MCULE-5261480538 [0,0,0,0,0,0|2,0,0]=2 12 B11R0.3 CCCCOCCOCCOC MCULE-8111177194 [0,0,0,0,0,0|1,0,0]=1 13 B11R0.3 CCCCSCCSCCCC MCULE-9975798821 [0,0,0,0,0,0|2,2,0]=4 14 B11R0.3 CNCCCCCCCCNC MCULE-2607021323 [0,0,0,0,0,0|4,0,0]=4 15 B11R0.3 CNCCOCCOCCNC MCULE-2655072308 [0,0,0,0,0,0|2,0,0]=2 16 B11R0.3 CNCCOCCOCCNC MCULE-3355560867 [0,0,0,0,0,0|2,0,0]=2 17 B11R0.3 CNCCOCCOCCOC MCULE-8080510573 [0,0,0,0,0,0|1,0,0]=1 18 B11R0.3 COCCCCCCCCC=O MCULE-4530790122 [0,0,0,0,0,0|4,0,0]=4 19 B11R0.3 COCCCCCCCCCBr MCULE-8740247574 [0,0,0,0,0,0|4,0,0]=4 20 B11R0.3 COCCCCCCCCCN MCULE-5428647902 [0,0,0,0,0,0|4,0,0]=4 21 B11R0.3 COCCCCCCCCCO MCULE-5483027656 [0,0,0,0,0,0|4,0,0]=4 22 B11R0.3 COCCCCCCCCOC MCULE-6292448161 [0,0,0,0,0,0|2,0,0]=2 23 B11R0.3 COCCNCCOCCOC MCULE-2498748106 [0,0,0,0,0,0|1,0,0]=1 24 B11R0.3 COCCOCCOCCC=O MCULE-7456622874 [0,0,0,0,0,0|2,0,0]=2 25 B11R0.3 COCCOCCOCCCCl MCULE-1833954857 [0,0,0,0,0,0|2,0,0]=2 26 B11R0.3 COCCOCCOCCCN MCULE-6372744365 [0,0,0,0,0,0|2,0,0]=2 27 B11R0.3 COCCOCCOCCCO MCULE-5937827839 [0,0,0,0,0,0|2,0,0]=2 28 B11R0.3 COCCOCCOCCOC MCULE-9670046114 [0,0,0,0,0,0|0,0,0]=0 29 B11R0.3 COCCOCCOCCON MCULE-5371668308 [0,0,0,0,0,0|1,0,0]=1 30 B11R0.3 N#CCCOCCOCCC#N MCULE-5018870591 [0,0,0,0,0,0|4,0,0]=4 31 B11R0.3 NCCCOCCOCCCN MCULE-4242990401 [0,0,0,0,0,0|4,0,0]=4 32 B11R0.3 NOCCOCCOCCON MCULE-1280990608 [0,0,0,0,0,0|2,0,0]=2 33 B11R0.3 OCCCOCCOCCCO MCULE-9295826990 [0,0,0,0,0,0|4,0,0]=4 34 B11R0.3 [NH2+](CCCC)CCCCCCC MCULE-5696674484 [0,0,0,0,0,0|4,0,0]=4 35 B10R0.71 C#CCOCCOCCNC MCULE-3345317538 [1,0,0,0,0,0|1,0,2]=4 36 B10R0.71 C#CCOCCOCCOC MCULE-3357196470 [1,0,0,0,0,0|0,0,2]=3 37 B10R0.71 C=CCOCCOCCOC MCULE-4173919087 [1,0,0,0,0,0|0,0,2]=3 38 B10R0.71 CCCCCCCCCCC MCULE-7319807036 [1,0,0,0,0,0|3,0,0]=4 39 B10R0.71 CCCCCCCCCCO MCULE-7579570663 [1,0,0,0,0,0|3,0,0]=4 40 B10R0.71 CCCCCCCCCNC MCULE-3969866054 [1,0,0,0,0,0|3,0,0]=4 41 B10R0.71 CCCCCCCCCNC MCULE-6631883657 [1,0,0,0,0,0|3,0,0]=4 42 B10R0.71 CCCCCCCCCOC MCULE-3906263885 [1,0,0,0,0,0|2,0,0]=3 43 B10R0.71 CCCCCCCCCON MCULE-2563186433 [1,0,0,0,0,0|3,0,0]=4 44 B10R0.71 CCCCCCCCCSC MCULE-9001057781 [1,0,0,0,0,0|2,1,0]=4 45 B10R0.71 CCCCCCCOCCCl MCULE-9608529645 [1,0,0,0,0,0|3,0,0]=4 46 B10R0.71 CCCCCCCOCCO MCULE-4391734532 [1,0,0,0,0,0|2,0,0]=3 47 B10R0.71 CCCCCCCOCCS MCULE-8215096371 [1,0,0,0,0,0|2,1,0]=4 48 B10R0.71 CCCCCCCSCCO MCULE-5713036847 [1,0,0,0,0,0|2,1,0]=4 49 B10R0.71 CCCCCCNCCCC MCULE-1698769182 [1,0,0,0,0,0|3,0,0]=4 50 B10R0.71 CCCCCNCCCOC MCULE-8182280213 [1,0,0,0,0,0|3,0,0]=4 51 B10R0.71 CCCCNCCOCCO MCULE-6722908845 [1,0,0,0,0,0|2,0,0]=3 52 B10R0.71 CCCCOCCOCCCl MCULE-8993573654 [1,0,0,0,0,0|2,0,0]=3 53 B10R0.71 CCCCOCCOCCN MCULE-5064402317 [1,0,0,0,0,0|2,0,0]=3 54 B10R0.71 CCCCOCCOCCO MCULE-9776383171 [1,0,0,0,0,0|1,0,0]=2 55 B10R0.71 CCCCOCCOCCS MCULE-8185433281 [1,0,0,0,0,0|1,1,0]=3 56 B10R0.71 CCCCOCCSCCO MCULE-1950831912 [1,0,0,0,0,0|1,1,0]=3 57 B10R0.71 CCCCOCOCCCC MCULE-5701893914 [1,0,0,0,0,0|2,0,0]=3 58 B10R0.71 CCCCSCCOCCO MCULE-8485842279 [1,0,0,0,0,0|1,1,0]=3 59 B10R0.71 CCNCCCNCCOC MCULE-6052245849 [1,0,0,0,0,0|3,0,0]=4 60 B10R0.71 CNCCCNCCCOC MCULE-6241973892 [1,0,0,0,0,0|3,0,0]=4 61 B10R0.71 CNCCOCCOCCO MCULE-6753260555 [1,0,0,0,0,0|1,0,0]=2 62 B10R0.71 COCCCCCCCCO MCULE-1529283698 [1,0,0,0,0,0|2,0,0]=3 63 B10R0.71 COCCCOCCCOC MCULE-6346352498 [1,0,0,0,0,0|2,0,0]=3 64 B10R0.71 COCCNCCOCCO MCULE-7833678560 [1,0,0,0,0,0|1,0,0]=2 65 B10R0.71 COCCOCCNCCO MCULE-9204808579 [1,0,0,0,0,0|1,0,0]=2 66 B10R0.71 COCCOCCOCCBr MCULE-4310662958 [1,0,0,0,0,0|1,0,0]=2 67 B10R0.71 COCCOCCOCCCl MCULE-7124897317 [1,0,0,0,0,0|1,0,0]=2 68 B10R0.71 COCCOCCOCCI MCULE-2850882764 [1,0,0,0,0,0|1,0,0]=2 69 B10R0.71 COCCOCCOCCN MCULE-4566205288 [1,0,0,0,0,0|1,0,0]=2 70 B10R0.71 COCCOCCOCCO MCULE-3334704047 [1,0,0,0,0,0|0,0,0]=1 71 B10R0.71 COCCOCCOCCO MCULE-6363212516 [1,0,0,0,0,0|0,0,0]=1 72 B10R0.71 COCCOCCOCCS MCULE-3914851079 [1,0,0,0,0,0|0,1,0]=2 73 B10R0.71 COCCOCOCCOC MCULE-6119161119 [1,0,0,0,0,0|0,0,0]=1 74 B10R0.71 COCOCOCOCOC MCULE-5270275468 [1,0,0,0,0,0|3,0,0]=4 75 B10R0.71 N#CCCOCCOCCO MCULE-8456706630 [1,0,0,0,0,0|2,0,0]=3 76 B10R0.71 NCCCOCCOCCO MCULE-7907321960 [1,0,0,0,0,0|2,0,0]=3 77 B10R0.71 NOCCCCCCCON MCULE-5906626366 [1,0,0,0,0,0|3,0,0]=4 78 B10R0.71 OCCCCCCOCCO MCULE-5642986797 [1,0,0,0,0,0|3,0,0]=4 79 B10R0.71 OCCOCCCCCCCl MCULE-3240737723 [1,0,0,0,0,0|3,0,0]=4 80 B10R0.71 [NH2+](CCCC)CCCCCC MCULE-8926764515 [1,0,0,0,0,0|3,0,0]=4 81 B12R0.1 CCCCOCCOC(=O)CCC MCULE-5623408620 [0,1,0,0,0,0|2,0,1]=4 82 B12R0.5 CCCCCCCCNCCOC MCULE-9794668613 [0,1,0,0,0,0|3,0,0]=4 83 B12R0.5 CCCCCCCCOCCNC MCULE-3720493532 [0,1,0,0,0,0|3,0,0]=4 84 B12R0.5 CCCCCCCCOCCNC MCULE-6027502699 [0,1,0,0,0,0|3,0,0]=4 85 B12R0.5 CCCCCCCOCCCCO MCULE-4232162406 [0,1,0,0,0,0|3,0,0]=4 86 B12R0.5 CCCCNCCOCCOCC MCULE-4895739563 [0,1,0,0,0,0|2,0,0]=3 87 B12R0.5 CCCCOCCOCCN=N#N MCULE-5143222869 [0,1,0,0,0,0|3,0,0]=4 88 B12R0.5 CCCCOCCOCCOCC MCULE-6182503793 [0,1,0,0,0,0|1,0,0]=2 89 B12R0.5 CCCCOCCOCCSC#N MCULE-4470701172 [0,1,0,0,0,0|1,1,1]=4 90 B12R0.5 CNCCOCCOCCN=N#N MCULE-6648078029 [0,1,0,0,0,0|3,0,0]=4 91 B12R0.5 COCCOCCNCCCCO MCULE-5212473311 [0,1,0,0,0,0|2,0,0]=3 92 B12R0.5 COCCOCCOCCCC#N MCULE-8286205863 [0,1,0,0,0,0|1,0,1]=3 93 B12R0.5 COCCOCCOCCN=N#N MCULE-8322418682 [0,1,0,0,0,0|2,0,0]=3 94 B12R0.5 COCOCOCOCOCOC MCULE-6492587487 [0,1,0,0,0,0|3,0,0]=4 95 B12R0.5 N#N=NCCOCCOCCON MCULE-6711696762 [0,1,0,0,0,0|3,0,0]=4 96 B12R0.234 CCCCOCCOCCN(C)C MCULE-8139043410 [0,1,0,0,0,0|2,0,0]=3 97 B12R0.234 CNCCOCCOCCC(=O)O MCULE-5859151176 [0,1,0,0,0,0|3,0,0]=4 98 B12R0.234 COCCOCCOCCC(=O)Cl MCULE-4397360863 [0,1,0,0,0,0|2,0,0]=3 99 B12R0.234 COCCOCCOCCC(=O)O MCULE-3073877899 [0,1,0,0,0,0|2,0,0]=3 100 B12R0.234 COCCOCCOCCN(C)C MCULE-3119260384 [0,1,0,0,0,0|1,0,0]=2 101 B12R0.248 CCCCOCCOCC(O)CCl MCULE-6846927486 [0,1,0,0,0,0|3,0,0]=4 102 B12R0.248 CCCCOCCOCC(O)CO MCULE-3963327917 [0,1,0,0,0,0|3,0,0]=4 103 B12R0.248 COCCOCCOCC(O)CN MCULE-7915940178 [0,1,0,0,0,0|2,0,0]=3 104 B12R1.8 BrCCCOCC1CCCCO1 MCULE-7293009580 [0,0,0,1,0,0|3,0,0]=4 105 B12R1.8 CCCCOCC1CCCNC1 MCULE-8990874136 [0,0,0,1,0,0|3,0,0]=4 106 B12R1.8 CCCCOCC1CCCNC1 MCULE-9744445993 [0,0,0,1,0,0|3,0,0]=4 107 B12R1.8 CNCCOCC1CCCCO1 MCULE-1593067132 [0,0,0,1,0,0|2,0,0]=3 108 B12R1.8 COCCNCC1CCCCC1 MCULE-2366600296 [0,0,0,1,0,0|3,0,0]=4 109 B12R1.8 COCCNCC1CCCCC1 MCULE-6797211118 [0,0,0,1,0,0|3,0,0]=4 110 B12R1.8 COCCOCC1CCCNC1 MCULE-6652202794 [0,0,0,1,0,0|2,0,0]=3 111 B12R1.8 COCCOCC1CCNCC1 MCULE-3041333045 [0,0,0,1,0,0|3,0,0]=4 112 B12R1.8 COCCOCC1CCNCC1 MCULE-9686976615 [0,0,0,1,0,0|3,0,0]=4 113 B12R1.37 COCCOCCC1CCNC1 MCULE-5882288769 [0,0,0,1,0,0|2,0,0]=3 114 B12R1.267 COCCOC1COCCC1N MCULE-7737139592 [0,0,0,1,0,0|2,0,0]=3 115 B12R1.272 COCCOCCOC1CNC1 MCULE-1093402949 [0,0,0,1,0,0|1,0,0]=2 116 B12R1.272 COCCOCCOC1CNC1 MCULE-5944283051 [0,0,0,1,0,0|1,0,0]=2 117 B12R1.375 CCCCCCCCC[C@@H]1CO1 MCULE-1904651720 [0,0,0,1,0,0|3,0,0]=4 118 B12R1.375 CCCCCCCOC[C@H]1CO1 MCULE-6928162982 [0,0,0,1,0,0|2,0,0]=3 119 B12R1.375 CCCCOCCOCC1CO1 MCULE-2367017799 [0,0,0,1,0,0|1,0,0]=2 120 B12R1.375 COCCOCCOCC1CO1 MCULE-8064194619 [0,0,0,1,0,0|0,0,0]=1 121 B12R1.399 CNC1CCCCCCC1OC MCULE-3417290973 [0,0,0,1,0,0|3,0,0]=4 122 B12R1.550 C1CNCCOCCNCCN1 MCULE-3675795432 [0,0,0,1,0,0|3,0,0]=4 123 B12R1.550 C1COCCNCCOCCN1 MCULE-7663748802 [0,0,0,1,0,0|2,0,0]=3 124 B12R1.550 C1COCCNCCOCCN1 MCULE-8640429961 [0,0,0,1,0,0|2,0,0]=3 125 B12R1.550 C1COCCOCCOCCN1 MCULE-3204446571 [0,0,0,1,0,0|1,0,0]=2 126 B12R1.550 C1COCCOCCOCCN1 MCULE-6156517066 [0,0,0,1,0,0|1,0,0]=2 127 B12R1.550 C1COCCOCCOCCO1 MCULE-4193442628 [0,0,0,1,0,0|0,0,0]=1 128 B9R0.45 BrCCOCCOCCBr MCULE-9246965046 [2,0,0,0,0,0|2,0,0]=4 129 B9R0.45 C#CCOCCOCCO MCULE-7562315851 [2,0,0,0,0,0|0,0,2]=4 130 B9R0.45 C=CCOCCOCCO MCULE-8770253790 [2,0,0,0,0,0|0,0,2]=4 131 B9R0.45 CCCCCCCCCC MCULE-6071426098 [2,0,0,0,0,0|2,0,0]=4 132 B9R0.45 CCCCCCCCCO MCULE-4020281400 [2,0,0,0,0,0|2,0,0]=4 133 B9R0.45 CCCCCCCCNC MCULE-6996288442 [2,0,0,0,0,0|2,0,0]=4 134 B9R0.45 CCCCCCCCOC MCULE-4646070035 [2,0,0,0,0,0|1,0,0]=3 135 B9R0.45 CCCCCCCCSC MCULE-5517176664 [2,0,0,0,0,0|1,1,0]=4 136 B9R0.45 CCCCCCNCCO MCULE-6828996225 [2,0,0,0,0,0|2,0,0]=4 137 B9R0.45 CCCCCCOCCCl MCULE-5675234570 [2,0,0,0,0,0|2,0,0]=4 138 B9R0.45 CCCCCCOCCO MCULE-1339769602 [2,0,0,0,0,0|1,0,0]=3 139 B9R0.45 CCCCCCSCCO MCULE-3331753796 [2,0,0,0,0,0|1,1,0]=4 140 B9R0.45 CCCCCNCCCC MCULE-4324738465 [2,0,0,0,0,0|2,0,0]=4 141 B9R0.45 CCCCCNCCNC MCULE-3521145032 [2,0,0,0,0,0|2,0,0]=4 142 B9R0.45 CCCCCOCCC#N MCULE-7711243368 [2,0,0,0,0,0|2,0,0]=4 143 B9R0.45 CCCCCOCCCO MCULE-3048029561 [2,0,0,0,0,0|2,0,0]=4 144 B9R0.45 CCCCNCCCCO MCULE-1748671401 [2,0,0,0,0,0|2,0,0]=4 145 B9R0.45 CCCCNCCOCC MCULE-5585133594 [2,0,0,0,0,0|2,0,0]=4 146 B9R0.45 CCCCOCCCCO MCULE-1926189258 [2,0,0,0,0,0|1,0,0]=3 147 B9R0.45 CCCCSCCOCC MCULE-4700764338 [2,0,0,0,0,0|1,1,0]=4 148 B9R0.45 CCCNCCNCCC MCULE-7703644113 [2,0,0,0,0,0|2,0,0]=4 149 B9R0.45 CCCNCCOCCO MCULE-9598749389 [2,0,0,0,0,0|1,0,0]=3 150 B9R0.45 CCCOCCOCCCl MCULE-1639946093 [2,0,0,0,0,0|1,0,0]=3 151 B9R0.45 CCCOCCOCCO MCULE-8416880348 [2,0,0,0,0,0|0,0,0]=2 152 B9R0.45 CCNCCOCCOC MCULE-7366180249 [2,0,0,0,0,0|1,0,0]=3 153 B9R0.45 CCOCCOCCNC MCULE-9368096258 [2,0,0,0,0,0|1,0,0]=3 154 B9R0.45 CCOCCOCCOC MCULE-8877803293 [2,0,0,0,0,0|0,0,0]=2 155 B9R0.45 CNCCCCCCNC MCULE-8440815147 [2,0,0,0,0,0|2,0,0]=4 156 B9R0.45 CNCCCNCCOC MCULE-3649953785 [2,0,0,0,0,0|2,0,0]=4 157 B9R0.45 CNCCOCCCOC MCULE-5420619528 [2,0,0,0,0,0|1,0,0]=3 158 B9R0.45 COCCCCCCOC MCULE-8796987038 [2,0,0,0,0,0|0,0,0]=2 159 B9R0.45 COCCCNCCOC MCULE-6284699375 [2,0,0,0,0,0|1,0,0]=3 160 B9R0.45 COCCCOCCCO MCULE-6516268580 [2,0,0,0,0,0|2,0,0]=4 161 B9R0.45 COCCNCCCCO MCULE-8413188192 [2,0,0,0,0,0|1,0,0]=3 162 B9R0.45 COCCOCCCC#N MCULE-9069502271 [2,0,0,0,0,0|1,0,1]=4 163 B9R0.45 COCCOCCCCN MCULE-3477207788 [2,0,0,0,0,0|1,0,0]=3 164 B9R0.45 COCOCCC#CCO MCULE-3338198117 [2,0,0,0,0,0|1,0,1]=4 165 B9R0.45 ClCCOCCOCCCl MCULE-8145037181 [2,0,0,0,0,0|2,0,0]=4 166 B9R0.45 ICCOCCOCCI MCULE-9545477884 [2,0,0,0,0,0|2,0,0]=4 167 B9R0.45 NCCNCCOCCO MCULE-4097685062 [2,0,0,0,0,0|2,0,0]=4 168 B9R0.45 NCCOCCOCCN MCULE-5534824970 [2,0,0,0,0,0|2,0,0]=4 169 B9R0.45 NCCOCCOCCO MCULE-4276739250 [2,0,0,0,0,0|1,0,0]=3 170 B9R0.45 OCCCCCCCCO MCULE-7897417838 [2,0,0,0,0,0|2,0,0]=4 171 B9R0.45 OCCNCCNCCO MCULE-1416647308 [2,0,0,0,0,0|2,0,0]=4 172 B9R0.45 OCCNCCOCCO MCULE-6121228725 [2,0,0,0,0,0|1,0,0]=3 173 B9R0.45 OCCOCCOCCBr MCULE-1007432891 [2,0,0,0,0,0|1,0,0]=3 174 B9R0.45 OCCOCCOCCCl MCULE-5775604504 [2,0,0,0,0,0|1,0,0]=3 175 B9R0.45 OCCOCCOCCF MCULE-9381073862 [2,0,0,0,0,0|1,0,0]=3 176 B9R0.45 OCCOCCOCCO MCULE-2608815184 [2,0,0,0,0,0|0,0,0]=2 177 B9R0.45 OCCOCCOCCO MCULE-7605038595 [2,0,0,0,0,0|0,0,0]=2 178 B9R0.45 OCCOCCOCCS MCULE-9899646316 [2,0,0,0,0,0|0,1,0]=3 179 B9R0.45 OCCSCCSCCO MCULE-4836365698 [2,0,0,0,0,0|0,2,0]=4 180 B9R0.45 SCCOCCOCCS MCULE-5869278368 [2,0,0,0,0,0|0,2,0]=4 181 B9R0.45 [NH2+](CCCC)CCCCC MCULE-5314318531 [2,0,0,0,0,0|2,0,0]=4 182 B11R0.4 CCCCCCOC(=O)COC MCULE-6245511541 [1,1,0,0,0,0|1,0,1]=4 183 B11R0.40 COCCOCCOC(=O)CS MCULE-7102370274 [1,1,0,0,0,0|0,1,1]=4 184 B11R0.81 CCCCCCC(C)OCCO MCULE-2974953071 [1,1,0,0,0,0|2,0,0]=4 185 B11R0.140 CCCCOC(C)OCCCC MCULE-9835180544 [1,1,0,0,0,0|2,0,0]=4 186 B11R0.140 COCCOC(=O)OCCOC MCULE-1716902242 [1,1,0,0,0,0|0,0,1]=3 187 B11R0.140 COCCOC(C)OCCOC MCULE-4715319658 [1,1,0,0,0,0|0,0,0]=2 188 B11R0.148 CCCCOCCOCC(=O)O MCULE-3118678736 [1,1,0,0,0,0|1,0,1]=4 189 B11R0.148 CCCCOCCOCC(C)O MCULE-2011202774 [1,1,0,0,0,0|1,0,0]=3 190 B11R0.148 CN(C)CCNCCOCCO MCULE-7514723815 [1,1,0,0,0,0|2,0,0]=4 191 B11R0.148 CN(C)CCOCCOCCO MCULE-3632862687 [1,1,0,0,0,0|1,0,0]=3 192 B11R0.148 COCCOCCOCC(=O)Cl MCULE-3746882663 [1,1,0,0,0,0|0,0,2]=4 193 B11R0.148 COCCOCCOCC(=O)O MCULE-8142044106 [1,1,0,0,0,0|0,0,1]=3 194 B11R0.148 O=C(O)CCOCCOCCO MCULE-9797832183 [1,1,0,0,0,0|2,0,0]=4 195 B13R0.54 CCCCOCCOCCOC(=O)C MCULE-7207932009 [0,2,0,0,0,0|1,0,0]=3 196 B13R0.54 COCCOCCOCCCC(=O)O MCULE-5833620933 [0,2,0,0,0,0|1,0,1]=4 197 B13R0.54 COCCOCCOCCOC(=O)C MCULE-2905023128 [0,2,0,0,0,0|0,0,0]=2 198 B13R0.54 COCCOCCOCCSC(=O)C MCULE-3217130116 [0,2,0,0,0,0|0,1,0]=3 199 B13R0.147 COCCOCCOCCC(=O)NN MCULE-7895935773 [0,2,0,0,0,0|2,0,0]=4 200 B13R0.165 CCCCOCC(O)COCCCC MCULE-8098763540 [0,2,0,0,0,0|2,0,0]=4 201 B13R0.336 C#CCOCCOCCOCCOC MCULE-2575326470 [0,2,0,0,0,0|0,0,0]=2 202 B13R0.336 C#CCOCCOCCOCCON MCULE-5565300274 [0,2,0,0,0,0|1,0,0]=3 203 B13R0.336 C=CCOCCOCCOCCOC MCULE-9864048714 [0,2,0,0,0,0|0,0,0]=2 204 B13R0.336 C=COCCOCCOCCOC=C MCULE-5528608223 [0,2,0,0,0,0|0,0,2]=4 205 B13R0.336 CCCCCCCOCCOCCCl MCULE-7165053997 [0,2,0,0,0,0|2,0,0]=4 206 B13R0.336 CCCCNCCOCCOCCO MCULE-6147519844 [0,2,0,0,0,0|2,0,0]=4 207 B13R0.336 CCCCOCCOCCOCCCl MCULE-8917411999 [0,2,0,0,0,0|1,0,0]=3 208 B13R0.336 CCCCOCCOCCOCCO MCULE-9824573117 [0,2,0,0,0,0|1,0,0]=3 209 B13R0.336 CCCCSCCOCCOCCO MCULE-1532721928 [0,2,0,0,0,0|1,1,0]=4 210 B13R0.336 CCOCCOCCOCCN=N#N MCULE-3763941961 [0,2,0,0,0,0|2,0,0]=4 211 B13R0.336 CCOCCSCCSCCOCC MCULE-5637225224 [0,2,0,0,0,0|0,2,0]=4 212 B13R0.336 CCSCCOCCOCCSCC MCULE-1679730327 [0,2,0,0,0,0|0,2,0]=4 213 B13R0.336 CNCCOCCOCCOCCO MCULE-9842641254 [0,2,0,0,0,0|1,0,0]=3 214 B13R0.336 COCCNCCOCCOCCO MCULE-7413851499 [0,2,0,0,0,0|1,0,0]=3 215 B13R0.336 COCCOCCOCCOCCBr MCULE-6817461514 [0,2,0,0,0,0|0,0,0]=2 216 B13R0.336 COCCOCCOCCOCCCl MCULE-4895072214 [0,2,0,0,0,0|0,0,0]=2 217 B13R0.336 COCCOCCOCCOCCI MCULE-7205583873 [0,2,0,0,0,0|0,0,0]=2 218 B13R0.336 COCCOCCOCCOCCN MCULE-5952188206 [0,2,0,0,0,0|0,0,0]=2 219 B13R0.336 COCCOCCOCCOCCO MCULE-8343383217 [0,2,0,0,0,0|0,0,0]=2 220 B13R0.336 COCCOCCOCCOCCS MCULE-4323107059 [0,2,0,0,0,0|0,0,0]=2 221 B13R0.336 CONCCOCCOCCNOC MCULE-4199402726 [0,2,0,0,0,0|0,0,0]=2 222 B13R0.336 NOCCOCCOCCOCCBr MCULE-1077420984 [0,2,0,0,0,0|1,0,0]=3 223 B13R0.336 NOCCOCCOCCOCCBr MCULE-6079003586 [0,2,0,0,0,0|1,0,0]=3 224 B13R0.336 NOCCOCCOCCOCCO MCULE-3544631578 [0,2,0,0,0,0|1,0,0]=3 225 B13R0.336 NOCCOCCOCCOCCS MCULE-1410195984 [0,2,0,0,0,0|1,0,0]=3 226 B13R0.336 NOCCOCCOCCOCCS MCULE-3913925390 [0,2,0,0,0,0|1,0,0]=3 227 B13R0.338 CCCCOCCC(=O)OCCCC MCULE-2964798690 [0,2,0,0,0,0|2,0,0]=4 228 B13R0.179 CN(C)CCOCCOCCN(C)C MCULE-6285101797 [0,2,0,0,0,0|2,0,0]=4 229 B13R0.280 COCCOCCOCCS(=O)(=O)Cl MCULE-3304524388 [0,2,0,0,0,0|1,1,0]=4 230 B13R0.201 COC(=O)COCCOCC(=O)OC MCULE-6999642930 [0,2,0,0,0,0|0,0,2]=4 231 B11R1.4 CCCCCCC1OCCO1 MCULE-4454812568 [1,0,0,1,0,0|2,0,0]=4 232 B11R1.4 CCCCOCC1CCNC1 MCULE-2104330635 [1,0,0,1,0,0|2,0,0]=4 233 B11R1.4 CCCCOCC1CCNC1 MCULE-4194248617 [1,0,0,1,0,0|2,0,0]=4 234 B11R1.4 COCCNCC1CCCO1 MCULE-6997277115 [1,0,0,1,0,0|1,0,0]=3 235 B11R1.4 COCCNCC1CCOC1 MCULE-4783743016 [1,0,0,1,0,0|1,0,0]=3 236 B11R1.4 COCCNCC1CCOC1 MCULE-8860457642 [1,0,0,1,0,0|1,0,0]=3 237 B11R1.4 COCCOCC1CCNC1 MCULE-4517716355 [1,0,0,1,0,0|1,0,0]=3 238 B11R1.4 COCCOCC1CCNC1 MCULE-6500256370 [1,0,0,1,0,0|1,0,0]=3 239 B11R1.4 N#CCCOCC1CCCO1 MCULE-2094800243 [1,0,0,1,0,0|2,0,0]=4 240 B11R1.4 NCCCOCC1CCCO1 MCULE-5647840349 [1,0,0,1,0,0|2,0,0]=4 241 B11R1.4 NCCCOCC1CCOC1 MCULE-2644571425 [1,0,0,1,0,0|2,0,0]=4 242 B11R1.17 COCCC1CCCCN1C MCULE-7106681892 [1,0,0,1,0,0|2,0,0]=4 243 B11R1.17 COCCN1CCNCC1C MCULE-3015809713 [1,0,0,1,0,0|2,0,0]=4 244 B11R1.28 BrCCOCC1CCCCO1 MCULE-3841203039 [1,0,0,1,0,0|2,0,0]=4 245 B11R1.28 CCCCOC1CCCCO1 MCULE-5619472922 [1,0,0,1,0,0|2,0,0]=4 246 B11R1.28 CCCCOC1CCCNC1 MCULE-3625364869 [1,0,0,1,0,0|2,0,0]=4 247 B11R1.28 CCCNCC1CCCCO1 MCULE-6602583901 [1,0,0,1,0,0|2,0,0]=4 248 B11R1.28 COCCCC1CCCCN1 MCULE-4074520103 [1,0,0,1,0,0|2,0,0]=4 249 B11R1.28 COCCCC1CCCNC1 MCULE-7667635288 [1,0,0,1,0,0|2,0,0]=4 250 B11R1.28 COCCNC1CCCSC1 MCULE-2716885059 [1,0,0,1,0,0|1,1,0]=4 251 B11R1.28 COCCNC1CCCSC1 MCULE-7619023168 [1,0,0,1,0,0|1,1,0]=4 252 B11R1.28 COCCOC1CCCNC1 MCULE-8229026729 [1,0,0,1,0,0|1,0,0]=3 253 B11R1.28 COCCOC1CCCNC1 MCULE-8741293011 [1,0,0,1,0,0|1,0,0]=3 254 B11R1.28 COCCOC1CCNCC1 MCULE-5096836613 [1,0,0,1,0,0|2,0,0]=4 255 B11R1.28 COCCOC1CCNCC1 MCULE-5530112122 [1,0,0,1,0,0|2,0,0]=4 256 B11R1.47 CCCCCCOC1CNC1 MCULE-3800407294 [1,0,0,1,0,0|2,0,0]=4 257 B11R1.47 CCCOCCOC1CNC1 MCULE-2421131463 [1,0,0,1,0,0|1,0,0]=3 258 B11R1.47 OCCOCCNC1CCC1 MCULE-1318919936 [1,0,0,1,0,0|2,0,0]=4 259 B11R1.51 CNC1CCCCCC1OC MCULE-2897047131 [1,0,0,1,0,0|2,0,0]=4 260 B11R1.99 CCCCCCCCC1CO1 MCULE-5254067206 [1,0,0,1,0,0|2,0,0]=4 261 B11R1.99 CCCCCCCC[C@@H]1CO1 MCULE-1956936475 [1,0,0,1,0,0|2,0,0]=4 262 B11R1.99 CCCCCCOCC1CO1 MCULE-4928959956 [1,0,0,1,0,0|1,0,0]=3 263 B11R1.99 CCCCCCOC[C@H]1CO1 MCULE-7895281836 [1,0,0,1,0,0|1,0,0]=3 264 B11R1.101 CN1CCCNCCOCC1 MCULE-1315248375 [1,0,0,1,0,0|2,0,0]=4 265 B11R1.109 COCC1CCCN1CCO MCULE-2732512568 [1,0,0,1,0,0|2,0,0]=4 266 B11R1.109 COC[C@@H]1CCCN1CCO MCULE-1755347479 [1,0,0,1,0,0|2,0,0]=4 267 B11R1.180 CN1CCCC1COCCO MCULE-4307941664 [1,0,0,1,0,0|2,0,0]=4 268 B11R1.180 COCCNC1CCCC1C MCULE-4127023609 [1,0,0,1,0,0|2,0,0]=4 269 B11R1.203 COCCC1CCCCNC1 MCULE-1439171420 [1,0,0,1,0,0|2,0,0]=4 270 B11R1.203 COCCN1CCCNCC1 MCULE-1154056938 [1,0,0,1,0,0|2,0,0]=4 271 B11R1.203 OCCOC1CCCCCC1 MCULE-7377327373 [1,0,0,1,0,0|2,0,0]=4 272 B13R1.119 CCOCCOCCC1CCNC1 MCULE-6464369731 [0,1,0,1,0,0|2,0,0]=4 273 B13R1.119 COCCOCCOC1CCNC1 MCULE-9003306762 [0,1,0,1,0,0|1,0,0]=3 274 B13R1.119 COCCOCCOC1CCNC1 MCULE-9514125855 [0,1,0,1,0,0|1,0,0]=3 275 B13R1.279 CN1CCOCCOCCOCC1 MCULE-3933212040 [0,1,0,1,0,0|1,0,0]=3 276 B13R1.279 CN1CCOCCOCCOCC1 MCULE-4419193177 [0,1,0,1,0,0|1,0,0]=3 277 B13R1.28 CCOCCOCC1CCCNC1 MCULE-5591437097 [0,1,0,1,0,0|2,0,0]=4 278 B13R1.28 COCCCNCC1COCCN1 MCULE-7241411410 [0,1,0,1,0,0|2,0,0]=4 279 B13R1.28 COCCCOCC1CCCNC1 MCULE-1513756171 [0,1,0,1,0,0|2,0,0]=4 280 B13R1.28 COCCCOCC1CCCNC1 MCULE-6604805109 [0,1,0,1,0,0|2,0,0]=4 281 B13R1.28 COCCOCCC1CCCCN1 MCULE-1551712957 [0,1,0,1,0,0|2,0,0]=4 282 B13R1.28 COCCOCCC1CCCCN1 MCULE-2415079091 [0,1,0,1,0,0|2,0,0]=4 283 B13R1.28 COCCOCCC1CCCNC1 MCULE-3932975989 [0,1,0,1,0,0|2,0,0]=4 284 B13R1.28 COCCOCCC1CCCNC1 MCULE-9736154750 [0,1,0,1,0,0|2,0,0]=4 285 B13R1.28 COCCOCCC1CCNCC1 MCULE-2514141568 [0,1,0,1,0,0|2,0,0]=4 286 B13R1.28 COCCOCCC1CCNCC1 MCULE-6894687300 [0,1,0,1,0,0|2,0,0]=4 287 B13R1.28 COCCOCCN1CCNCC1 MCULE-8255011424 [0,1,0,1,0,0|2,0,0]=4 288 B13R1.28 COCCOCCN1CCNCC1 MCULE-8556079362 [0,1,0,1,0,0|2,0,0]=4 289 B13R1.659 CCCCCCCCOCC1CO1 MCULE-8564069898 [0,1,0,1,0,0|2,0,0]=4 290 B13R2.64 C1COCC(N1)CC2CCOC2 MCULE-8654525284 [0,0,0,2,0,0|2,0,0]=4 291 B13R2.2382 C1COC(CN1)COCC2CC2 MCULE-7079451923 [0,0,0,2,0,0|2,0,0]=4 292 B13R2.661 C1(COC2C1OCC2OC)OC MCULE-5265524714 [0,0,0,2,0,0|0,0,0]=2 293 B13R2.661 [C@H]12OC[C@H]([C@H]1OC[C@@H]2OC)OC MCULE-2894496841 [0,0,0,2,0,0|0,0,0]=2 294 B13R2.661 [C@H]12OC[C@H]([C@H]1OC[C@@H]2OC)OC MCULE-7154198773 [0,0,0,2,0,0|0,0,0]=2 295 B13R2.2290 C(CCC[C@@H]1CO1)CC[C@H]2CO2 MCULE-8850846348 [0,0,0,2,0,0|2,0,0]=4 296 B13R2.2290 C(COCC1CO1)OCC2CO2 MCULE-7471356445 [0,0,0,2,0,0|0,0,0]=2