0 B10R0.1 CCCCCCC(=O)CCC 240668 [0,0,0,0,0,0|1,0,0]=1 1 B10R0.1 CCOC(=O)CCCCCBr 239007 [0,0,0,0,0,0|1,0,0]=1 2 B10R0.1 CCOC(=O)CCCN=C=S 008965 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.5 C=CCCCC(=O)OCC 200032 [1,0,0,0,0,0|0,0,2]=3 4 B9R0.5 CCCCCC(=O)OCC 103045 [1,0,0,0,0,0|0,0,0]=1 5 B9R0.5 CCCCOC(=O)CCS 520900 [1,0,0,0,0,0|3,0,0]=4 6 B9R0.5 CCOC(=O)CCCCBr 078683 [1,0,0,0,0,0|1,0,0]=2 7 B9R0.5 CCOC(=O)CCCCI 103069 [1,0,0,0,0,0|1,0,0]=2 8 B9R0.5 CCOC(=O)CCN=C=S 008967 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.5 CCOC(=O)COCCCl 209431 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.5 CCO\C=C\C(=O)OCC 049964 [1,0,0,0,0,0|1,0,2]=4 11 B9R0.5 CCO\C=C\C(=O)OCC 094821 [1,0,0,0,0,0|1,0,2]=4 12 B9R0.45 CCCCCCCCCBr 001132 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.45 CCCCCCCCCC 520891 [1,0,0,0,0,0|1,0,1]=3 14 B9R0.45 CCCCCCCCCI 149300 [1,0,0,0,0,0|2,0,1]=4 15 B9R0.45 CCCCCCCCCN 018926 [1,0,0,0,0,0|2,0,1]=4 16 B9R0.45 CCCCCCCCCO 101572 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.45 CCCCCCCCNC 046353 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.45 CCCCCCNCCN 457429 [1,0,0,0,0,0|3,0,0]=4 19 B9R0.45 CCCCCC\C=C\C=O 106390 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.45 CCCCCNCCCC 105047 [1,0,0,0,0,0|2,0,1]=4 21 B9R0.45 CC\C=C/CCCCC=O 106733 [1,0,0,0,0,0|2,0,1]=4 22 B9R0.46 CCCCCCC(=O)NN 045793 [1,0,0,0,0,0|2,0,0]=3 23 B9R0.46 CCCCCCC(O)CO 339957 [1,0,0,0,0,0|1,0,2]=4 24 B9R0.46 COC(=O)CCCCCBr 240729 [1,0,0,0,0,0|1,0,0]=2 25 B9R0.46 COC(=O)CCCCCN 079812 [1,0,0,0,0,0|1,0,0]=2 26 B11R0.2 CC(C)OC(=O)CCCCCBr 102847 [0,1,0,0,0,0|1,0,0]=2 27 B11R0.4 CCOC(=O)CCCCCCBr 093462 [0,1,0,0,0,0|0,0,0]=1 28 B11R0.4 CC\C=C/CCOC(=O)CCC 241117 [0,1,0,0,0,0|1,0,2]=4 29 B11R0.62 CCOC(=O)CCC(=O)OCC 358205 [0,1,0,0,0,0|1,0,1]=3 30 B11R0.81 C=CCOC(=O)CCCCCC 241116 [0,1,0,0,0,0|0,0,1]=2 31 B11R0.155 CCCCCC(Br)C(=O)OCC 433362 [0,1,0,0,0,0|0,0,0]=1 32 B11R0.155 CC\C=C(/C)C(O)CCCCC 240778 [0,1,0,0,0,0|2,0,0]=3 33 B11R0.174 CCOC(=O)CSCC(=O)OC 094635 [0,1,0,0,0,0|2,0,1]=4 34 B11R0.176 CCOC(=O)CCCCC(=O)O 013394 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.16 CCOC(=O)C1CCCCN1 046387 [0,0,0,1,0,0|1,0,0]=2 36 B11R1.16 CCOC(=O)C1CCCCN1 243068 [0,0,0,1,0,0|1,0,0]=2 37 B11R1.16 CCOC(=O)C1CCCNC1 009838 [0,0,0,1,0,0|1,0,0]=2 38 B11R1.16 CCOC(=O)C1CCCNC1 033701 [0,0,0,1,0,0|1,0,0]=2 39 B11R1.16 CCOC(=O)C1CCNCC1 009839 [0,0,0,1,0,0|1,0,0]=2 40 B11R1.16 CCOC(=O)C1CCNCC1 033118 [0,0,0,1,0,0|1,0,0]=2 41 B11R1.16 CCOC(=O)N1CCNCC1 021571 [0,0,0,1,0,0|2,0,0]=3 42 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 050064 [0,0,0,1,0,0|1,0,0]=2 43 B11R1.16 CNCC(=O)N1CCCCC1 024781 [0,0,0,1,0,0|3,0,0]=4 44 B11R1.180 CCCCCC1CCCC1=O 239571 [0,0,0,1,0,0|1,0,0]=2 45 B11R1.180 CCCCCC1CCCC1O 104687 [0,0,0,1,0,0|1,0,2]=4 46 B11R1.199 CCOC(=O)C1CCCC1=O 078870 [0,0,0,1,0,0|1,0,1]=3 47 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O 103578 [0,0,0,1,0,0|1,0,0]=2 48 B8R0.1 CCCCC(=O)OCC 241120 [2,0,0,0,0,0|0,0,0]=2 49 B8R0.1 CCOC(=O)CCC#N 332295 [2,0,0,0,0,0|1,0,1]=4 50 B8R0.1 CCOC(=O)CCCBr 139400 [2,0,0,0,0,0|1,0,0]=3 51 B8R0.1 CCOC(=O)CCCI 227460 [2,0,0,0,0,0|1,0,0]=3 52 B8R0.1 CCOC(=O)CCCN 033082 [2,0,0,0,0,0|1,0,0]=3 53 B8R0.1 CCOC(=O)CSCC 094645 [2,0,0,0,0,0|1,0,0]=3 54 B8R0.4 CCCCCCCCBr 021865 [2,0,0,0,0,0|1,0,1]=4 55 B8R0.4 CCCCCCCCCl 520471 [2,0,0,0,0,0|1,0,1]=4 56 B8R0.4 CCCCCCCCI 104506 [2,0,0,0,0,0|1,0,1]=4 57 B8R0.4 CCCCCCCCN 099074 [2,0,0,0,0,0|1,0,1]=4 58 B8R0.4 CCCCCCCCO 098917 [2,0,0,0,0,0|1,0,1]=4 59 B8R0.4 CCCCCCCCS 099014 [2,0,0,0,0,0|1,0,1]=4 60 B8R0.4 CCCCCCCNC 104338 [2,0,0,0,0,0|1,0,1]=4 61 B8R0.4 CCCCCCOC=O 102668 [2,0,0,0,0,0|1,0,1]=4 62 B8R0.4 CCCCCNCCC 104994 [2,0,0,0,0,0|1,0,1]=4 63 B8R0.4 CCCCNCCCC 095822 [2,0,0,0,0,0|1,0,1]=4 64 B8R0.4 CCCCSCCCC 098351 [2,0,0,0,0,0|1,0,1]=4 65 B8R0.4 CCOCCNCCN 105133 [2,0,0,0,0,0|2,0,0]=4 66 B8R0.6 C=CCCCC(=O)OC 103881 [2,0,0,0,0,0|0,0,2]=4 67 B8R0.6 CCCCCC(=O)NN 045795 [2,0,0,0,0,0|2,0,0]=4 68 B8R0.6 CCCCCC(=O)OC 103044 [2,0,0,0,0,0|0,0,0]=2 69 B8R0.6 CCCSCC(=O)OC 095137 [2,0,0,0,0,0|1,0,0]=3 70 B8R0.6 COC(=O)CCCCBr 210250 [2,0,0,0,0,0|1,0,0]=3 71 B8R0.6 COC(=O)CCCCI 103067 [2,0,0,0,0,0|1,0,0]=3 72 B8R0.7 C#CCCCCC(=O)O 208727 [2,0,0,0,0,0|0,0,2]=4 73 B8R0.7 C=CCCCCC(=O)O 200743 [2,0,0,0,0,0|0,0,2]=4 74 B8R0.7 CC(=O)OCCCCBr 002417 [2,0,0,0,0,0|2,0,0]=4 75 B8R0.7 CCCCCCB(O)O 466928 [2,0,0,0,0,0|1,0,1]=4 76 B8R0.7 CCCCCCC(=O)Cl 102978 [2,0,0,0,0,0|1,0,0]=3 77 B8R0.7 CCCCCCC(=O)O 066627 [2,0,0,0,0,0|0,0,0]=2 78 B8R0.7 CCCCCCC(C)=O 242815 [2,0,0,0,0,0|0,0,0]=2 79 B8R0.7 CCCCCCC(C)N 242674 [2,0,0,0,0,0|1,0,1]=4 80 B8R0.7 CCCCCCN(C)C 046920 [2,0,0,0,0,0|2,0,0]=4 81 B8R0.7 CCCCCOC(=O)Cl 544334 [2,0,0,0,0,0|2,0,0]=4 82 B8R0.7 CCCCSCC(=O)O 351418 [2,0,0,0,0,0|1,0,0]=3 83 B8R0.7 CCCC\C=C\C(C)=O 104079 [2,0,0,0,0,0|0,0,2]=4 84 B8R0.7 COCCOCC(=O)O 329057 [2,0,0,0,0,0|2,0,0]=4 85 B8R0.7 COCCSCC(=O)O 351521 [2,0,0,0,0,0|2,0,0]=4 86 B8R0.7 NC(=O)CCCCCBr 002966 [2,0,0,0,0,0|2,0,0]=4 87 B8R0.7 NCCCCCC(=O)O 103200 [2,0,0,0,0,0|1,0,0]=3 88 B8R0.7 O=C(Cl)CCCCCBr 003076 [2,0,0,0,0,0|2,0,0]=4 89 B8R0.7 O=C(O)CCCCCBr 002967 [2,0,0,0,0,0|1,0,0]=3 90 B10R0.2 CCCC(=O)CC(=O)OCC 094679 [1,1,0,0,0,0|0,0,1]=3 91 B10R0.2 CCCC(O)CC(=O)OCC 239633 [1,1,0,0,0,0|0,0,0]=2 92 B10R0.2 CCOC(=O)CC(=O)OCC 094505 [1,1,0,0,0,0|1,0,1]=4 93 B10R0.3 CCCC(=O)OCCC(C)C 240937 [1,1,0,0,0,0|2,0,0]=4 94 B10R0.19 CCCCC(=O)C(=O)OCC 075970 [1,1,0,0,0,0|0,0,1]=3 95 B10R0.19 CCCCC(Br)C(=O)OCC 463320 [1,1,0,0,0,0|0,0,0]=2 96 B10R0.19 CCCCC(O)C(=O)OCC 103606 [1,1,0,0,0,0|0,0,0]=2 97 B10R0.19 CCOC(=O)C(N)CCSC 003823 [1,1,0,0,0,0|1,0,0]=3 98 B10R0.91 C=CCOC(=O)CCCCC 240754 [1,1,0,0,0,0|0,0,1]=3 99 B10R0.71 CCCCCCCCCCBr 099716 [1,1,0,0,0,0|1,0,1]=4 100 B10R0.71 CCCCCCCCCCF 004615 [1,1,0,0,0,0|1,0,1]=4 101 B10R0.71 CCCCCCCCCCI 148000 [1,1,0,0,0,0|1,0,1]=4 102 B10R0.71 CCCCCCCCCCN 240983 [1,1,0,0,0,0|1,0,1]=4 103 B10R0.71 CCCCCCCCCCO 043323 [1,1,0,0,0,0|1,0,1]=4 104 B10R0.71 CCCCCCCCCCS 098561 [1,1,0,0,0,0|1,0,1]=4 105 B10R0.71 CCCCCCCCCSC 099662 [1,1,0,0,0,0|1,0,1]=4 106 B10R0.71 CCCCCCNCCCC 105063 [1,1,0,0,0,0|1,0,1]=4 107 B10R0.71 CCCCCCNCCCN 105016 [1,1,0,0,0,0|2,0,0]=4 108 B10R0.71 CCCCCNCCCCC 098918 [1,1,0,0,0,0|1,0,1]=4 109 B10R0.71 CCCCOCCOCCO 448626 [1,1,0,0,0,0|1,0,1]=4 110 B10R0.71 CCOCCNCCOCC 099253 [1,1,0,0,0,0|1,0,1]=4 111 B10R0.18 CCCCC(=O)CC(=O)OC 046871 [1,1,0,0,0,0|0,0,1]=3 112 B10R0.55 COC(=O)CCCCC(=O)O 078720 [1,1,0,0,0,0|1,0,1]=4 113 B10R0.59 COC(=O)CCCC(=O)OC 341738 [1,1,0,0,0,0|1,0,1]=4 114 B12R0.125 CC(C)(C)OC(=O)CCCCCBr 097928 [0,2,0,0,0,0|1,0,0]=3 115 B12R0.125 CC(C)(C)OC(=O)NCCCCN 102141 [0,2,0,0,0,0|2,0,0]=4 116 B12R0.125 CC(C)(C)OC(=O)NCCCCN 211219 [0,2,0,0,0,0|2,0,0]=4 117 B12R0.125 CNCCCNC(=O)OC(C)(C)C 224931 [0,2,0,0,0,0|2,0,0]=4 118 B12R0.1 CCCCCCCCC(=O)OCC 240753 [0,2,0,0,0,0|0,0,0]=2 119 B12R0.1 CCOC(=O)CCCCCCCBr 043688 [0,2,0,0,0,0|0,0,0]=2 120 B12R0.101 CCCCC(=O)CCC(=O)OCC 207860 [0,2,0,0,0,0|0,0,0]=2 121 B12R0.277 CCOC(=O)CCCCCC(=O)O 024652 [0,2,0,0,0,0|0,0,1]=3 122 B12R0.285 CCOC(=O)CCCC(=O)OCC 239671 [0,2,0,0,0,0|0,0,1]=3 123 B12R0.285 CCOC(=O)CSCC(=O)OCC 049527 [0,2,0,0,0,0|1,0,1]=4 124 B12R0.69 CCOC(=O)C[C@H](N)C(=O)OCC 222161 [0,2,0,0,0,0|1,0,1]=4 125 B10R1.11 CCOC(=O)C1CCCC1 099780 [1,0,0,1,0,0|0,0,0]=2 126 B10R1.11 CCOC(=O)[C@@H]1CCCN1 242998 [1,0,0,1,0,0|1,0,0]=3 127 B10R1.78 O=C1CCCCCCCN1 098992 [1,0,0,1,0,0|1,0,0]=3 128 B10R1.17 CCCCC1CCNCC1 076847 [1,0,0,1,0,0|1,0,1]=4 129 B10R1.15 CCC(=O)C1CCCCC1 242322 [1,0,0,1,0,0|0,0,0]=2 130 B10R1.15 CCC(=O)N1CCNCC1 024333 [1,0,0,1,0,0|2,0,0]=4 131 B10R1.15 CNC(=O)C1CCCNC1 029249 [1,0,0,1,0,0|2,0,0]=4 132 B10R1.15 CNC(=O)C1CCNCC1 009970 [1,0,0,1,0,0|2,0,0]=4 133 B10R1.15 COC(=O)C1CC=CCC1 241824 [1,0,0,1,0,0|0,0,2]=4 134 B10R1.15 COC(=O)C1CCCCC1 024556 [1,0,0,1,0,0|0,0,0]=2 135 B10R1.15 COC(=O)C1CCCCN1 046385 [1,0,0,1,0,0|1,0,0]=3 136 B10R1.15 COC(=O)C1CCCNC1 046386 [1,0,0,1,0,0|1,0,0]=3 137 B10R1.15 COC(=O)C1CCNCC1 024861 [1,0,0,1,0,0|1,0,0]=3 138 B10R1.15 COC(=O)C1CCNCC1 033231 [1,0,0,1,0,0|1,0,0]=3 139 B10R1.15 COC(=O)C1CCOCC1 067015 [1,0,0,1,0,0|1,0,0]=3 140 B10R1.15 COC(=O)C1CNCCN1 011843 [1,0,0,1,0,0|2,0,0]=4 141 B10R1.15 COC(=O)N1CCNCC1 091561 [1,0,0,1,0,0|2,0,0]=4 142 B10R1.15 COC(=O)[C@@H]1CCCCN1 093769 [1,0,0,1,0,0|1,0,0]=3 143 B10R1.15 COC(=O)[C@H]1CCCCN1 075174 [1,0,0,1,0,0|1,0,0]=3 144 B10R1.15 NCC(=O)N1CCCCC1 024984 [1,0,0,1,0,0|2,0,0]=4 145 B10R1.15 NNC(=O)C1CCCCC1 019319 [1,0,0,1,0,0|2,0,0]=4 146 B10R1.15 O=C(CCl)N1CCCCC1 024977 [1,0,0,1,0,0|2,0,0]=4 147 B10R1.149 COC(=O)C1CCCC1=O 092887 [1,0,0,1,0,0|1,0,1]=4 148 B12R1.107 CC(C)NC(=O)C1CCCCC1 104371 [0,1,0,1,0,0|1,0,0]=3 149 B12R1.28 CCCCCC1CCCC(=O)O1 235502 [0,1,0,1,0,0|1,0,0]=3 150 B12R1.32 CCOC(=O)CC1CCCNC1 018134 [0,1,0,1,0,0|0,0,0]=2 151 B12R1.32 CCOC(=O)CC1CCNCC1 018135 [0,1,0,1,0,0|0,0,0]=2 152 B12R1.32 CCOC(=O)CN1CCNCC1 020100 [0,1,0,1,0,0|1,0,0]=3 153 B12R1.308 CCOC(=O)C1CCCCC1=O 078515 [0,1,0,1,0,0|0,0,1]=3 154 B12R1.308 CCOC(=O)C1CCCCN1C 091878 [0,1,0,1,0,0|0,0,0]=2 155 B12R1.308 CCOC(=O)C1CCCNC1=O 079764 [0,1,0,1,0,0|1,0,1]=4 156 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O 050038 [0,1,0,1,0,0|0,0,0]=2 157 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1N 103932 [0,1,0,1,0,0|0,0,0]=2 158 B12R1.318 CCOC(=O)CC1CCCC1=O 092174 [0,1,0,1,0,0|0,0,1]=3 159 B12R1.372 CCCCCCN1CCCC1=O 040278 [0,1,0,1,0,0|1,0,0]=3 160 B12R1.17 CCOC(=O)C1CCCC(=O)C1 067079 [0,1,0,1,0,0|0,0,1]=3 161 B12R1.17 CCOC(=O)C1CCCN(C)C1 092132 [0,1,0,1,0,0|1,0,0]=3 162 B12R1.30 O=C(NCCO)C1CCCNC1 009966 [0,1,0,1,0,0|2,0,0]=4 163 B12R1.30 O=C(NCCO)C1CCNCC1 009967 [0,1,0,1,0,0|2,0,0]=4 164 B12R1.16 CCOC(=O)C1CCC(=O)CC1 032733 [0,1,0,1,0,0|0,0,1]=3 165 B12R1.16 CCOC(=O)C1CCC(O)CC1 092690 [0,1,0,1,0,0|0,0,0]=2 166 B12R1.16 CCOC(=O)N1CCC(=O)CC1 022135 [0,1,0,1,0,0|1,0,1]=4 167 B12R1.317 CCOC(=O)C1CCCC1(F)F 043258 [0,1,0,1,0,0|1,0,0]=3 168 B12R2.1081 O=C1CCC[C@@H]2CCCC[C@@H]12 245835 [0,0,0,2,0,0|1,0,0]=3 169 B12R2.2028 O=C1OC(=O)C2CCCCC12 104113 [0,0,0,2,0,0|1,0,1]=4 170 B12R2.2028 [C@H]12CCCC[C@H]1C(=O)OC2=O 242681 [0,0,0,2,0,0|1,0,1]=4 171 B12R2.24 O=C1CCC2CCCCC2C1 099192 [0,0,0,2,0,0|1,0,0]=3