0 B11R0.148 C=CCCCCCCCC(=O)O N12000 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.148 C=CCCCCCCOC(C)=O D88443 [0,0,0,0,0,0|2,0,2]=4 2 B11R0.148 CC(C)CCCCCCCCO D93483 [0,0,0,0,0,0|3,0,1]=4 3 B11R0.148 CCCCCCCCCC(=O)O D70225 [0,0,0,0,0,0|0,0,0]=0 4 B11R0.148 CCCCCCCCCC(=O)[O-] F19532 [0,0,0,0,0,0|0,0,1]=1 5 B11R0.148 CCCCCCCCCC(C)=O F17694 [0,0,0,0,0,0|1,0,0]=1 6 B11R0.148 CCCCCCCCCC(C)C C11011 [0,0,0,0,0,0|2,0,1]=3 7 B11R0.148 CCCCCCCCCC(N)=O D89393 [0,0,0,0,0,0|1,0,0]=1 8 B11R0.148 CCCCCCCCC[13C](=O)O D78974 [0,0,0,0,0,0|0,0,0]=0 9 B11R0.148 CCCCCCCCC[C@H](C)O D92751 [0,0,0,0,0,0|1,0,1]=2 10 B11R0.148 CCCCCCCCOC(=O)Cl D89288 [0,0,0,0,0,0|2,0,0]=2 11 B11R0.148 CCCCC\C=C\CCC(=O)O D90291 [0,0,0,0,0,0|0,0,2]=2 12 B11R0.148 CCCCOCCOCC(=O)O W16397 [0,0,0,0,0,0|2,0,0]=2 13 B11R0.148 COCCOCCOCC(=O)O D95266 [0,0,0,0,0,0|3,0,0]=3 14 B11R0.148 NCCOCCOCCC(=O)O H11015 [0,0,0,0,0,0|3,0,0]=3 15 B11R0.148 O=C(O)CCCCCCCCBr 54506 [0,0,0,0,0,0|1,0,0]=1 16 B11R0.148 O=C(O)CCCCCCCCO 29995 [0,0,0,0,0,0|1,0,0]=1 17 B10R0.4 C=CCCCCCCC(=O)O I11998 [1,0,0,0,0,0|0,0,2]=3 18 B10R0.4 CCCCCCCCB(O)O 33153 [1,0,0,0,0,0|1,0,1]=3 19 B10R0.4 CCCCCCCCC(=O)Cl D91690 [1,0,0,0,0,0|1,0,0]=2 20 B10R0.4 CCCCCCCCC(=O)[O-] D91669 [1,0,0,0,0,0|0,0,1]=2 21 B10R0.4 CCCCCCCCC(C)=O D89897 [1,0,0,0,0,0|1,0,0]=2 22 B10R0.4 CCCCCCCOC(=O)Cl 62102 [1,0,0,0,0,0|2,0,0]=3 23 B10R0.4 NCCCCCCCC(=O)O 52148 [1,0,0,0,0,0|1,0,0]=2 24 B10R0.4 NCCOCCOCC(=O)O 20975 [1,0,0,0,0,0|3,0,0]=4 25 B10R0.4 NCCOCCOCC(=O)O F15066 [1,0,0,0,0,0|3,0,0]=4 26 B10R0.4 O=C(O)CCCCCCCBr C10414 [1,0,0,0,0,0|1,0,0]=2 27 B10R0.4 O=CCCCCCCC(=O)O D80547 [1,0,0,0,0,0|1,0,1]=3 28 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O AT15139 [1,0,0,0,0,0|3,0,0]=4 29 B10R0.71 BrCCCCCCCCCBr O10362 [1,0,0,0,0,0|2,0,1]=4 30 B10R0.71 C#CCCCCCCCCO F16255 [1,0,0,0,0,0|0,0,3]=4 31 B10R0.71 C=CCCCCCCCCBr 29297 [1,0,0,0,0,0|2,0,0]=3 32 B10R0.71 CCCCCCCCCCI D95272 [1,0,0,0,0,0|1,0,1]=3 33 B10R0.71 CCCCCCCCCCN C93407 [1,0,0,0,0,0|1,0,1]=3 34 B10R0.71 CCCCCCCCCCS D94658 [1,0,0,0,0,0|0,1,1]=3 35 B10R0.71 CCCCCCCCN=C=O D94691 [1,0,0,0,0,0|1,0,1]=3 36 B10R0.71 CCCCCCCCN=C=S D91876 [1,0,0,0,0,0|1,1,1]=4 37 B10R0.71 CCCCCCCCNC=O D91867 [1,0,0,0,0,0|1,0,0]=2 38 B10R0.71 CCCCCCC\C=C\C=O A11384 [1,0,0,0,0,0|0,0,2]=3 39 B10R0.71 CCCCC\C=C\CCCO D90033 [1,0,0,0,0,0|0,0,3]=4 40 B10R0.71 ClCCCCCCCCCCl 35145 [1,0,0,0,0,0|2,0,1]=4 41 B10R0.71 NCCCCCCCCCN F16023 [1,0,0,0,0,0|2,0,1]=4 42 B10R0.71 OCCCCCCCCCBr 54800 [1,0,0,0,0,0|1,0,1]=3 43 B10R0.71 OCCCCCCCCCCl D94653 [1,0,0,0,0,0|1,0,1]=3 44 B10R0.71 OCCCCCCCCCO F20315 [1,0,0,0,0,0|1,0,1]=3 45 B10R0.71 OCCCCNCCCCO A11650 [1,0,0,0,0,0|2,0,1]=4 46 B10R0.71 SCCCCCCCCCS D97848 [1,0,0,0,0,0|1,1,1]=4 47 B12R0.4 CCCCCCC[C@H](C)OC(C)=O D88435 [0,1,0,0,0,0|2,0,0]=3 48 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] F10021 [0,1,0,0,0,0|1,0,1]=3 49 B12R0.184 COC(=O)CCCCCCC(=O)O 35897 [0,1,0,0,0,0|1,0,1]=3 50 B12R0.234 C#CCCCCCCCCC(=O)O AT18751 [0,1,0,0,0,0|0,0,1]=2 51 B12R0.234 C=CCCCCCCCCC(=O)O P19683 [0,1,0,0,0,0|0,0,1]=2 52 B12R0.234 CCCCCCCCCCB(O)O I10259 [0,1,0,0,0,0|1,0,1]=3 53 B12R0.234 CCCCCCCCCCC(=O)Cl D92750 [0,1,0,0,0,0|1,0,0]=2 54 B12R0.234 CCCCCCCCCCC(=O)O P19940 [0,1,0,0,0,0|0,0,0]=1 55 B12R0.234 CCCCCCCCCCC(C)=O D89937 [0,1,0,0,0,0|1,0,0]=2 56 B12R0.234 CCCCCCCCCC[C@H](C)O D90139 [0,1,0,0,0,0|1,0,1]=3 57 B12R0.234 CCCCCCCCCOC(=O)Cl D88620 [0,1,0,0,0,0|1,0,0]=2 58 B12R0.234 CCCCCCCCOCC(=O)O D82573 [0,1,0,0,0,0|0,0,0]=1 59 B12R0.234 CCCCCCCC\C=C\C(=O)O 22839 [0,1,0,0,0,0|0,0,1]=2 60 B12R0.234 NCCCCCCCCCC(=O)O C72238 [0,1,0,0,0,0|0,0,0]=1 61 B12R0.234 O=C(O)CCCCCCCCCBr AC1279 [0,1,0,0,0,0|0,0,0]=1 62 B12R0.234 O=C(O)CCCCCCCCCO 36747 [0,1,0,0,0,0|0,0,0]=1 63 B12R0.248 C=CCCCCCCCC(=O)OC A11197 [0,1,0,0,0,0|0,0,2]=3 64 B12R0.248 CCCCCCCCOC(=O)CN C10282 [0,1,0,0,0,0|2,0,0]=3 65 B12R0.248 CCCCCCCCOC(=O)CS D92371 [0,1,0,0,0,0|1,1,0]=3 66 B12R0.248 COC(=O)CCCCCCCCO S10650 [0,1,0,0,0,0|1,0,0]=2 67 B12R0.251 CCCCCCCC[C@H](N)C(=O)O 73329 [0,1,0,0,0,0|0,0,0]=1 68 B12R0.255 O=C(O)CCC(=O)OCCCCO D93505 [0,1,0,0,0,0|2,0,1]=4 69 B12R0.268 O=C(O)CCCCCCCC(=O)O D70171 [0,1,0,0,0,0|1,0,1]=3 70 B12R0.277 CCOC(=O)CCCCCC(=O)O H11366 [0,1,0,0,0,0|1,0,1]=3 71 B12R1.7 CCCCCC[C@H]1CCC(=O)O1 D70097 [0,0,0,1,0,0|0,0,0]=1 72 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 AC2158 [0,0,0,1,0,0|0,0,0]=1 73 B12R1.252 O=C(O)CCCC1CCCCC1 F16379 [0,0,0,1,0,0|0,0,0]=1 74 B12R1.252 O=C(O)CCCC1CCNCC1 65108 [0,0,0,1,0,0|1,0,0]=2 75 B12R1.255 NC(=O)CCCC[C@H]1CCSS1 D92402 [0,0,0,1,0,0|3,0,0]=4 76 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 23162 [0,0,0,1,0,0|2,0,0]=3 77 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 42222 [0,0,0,1,0,0|2,0,0]=3 78 B9R0.2 CCCCCCCB(O)O F30119 [2,0,0,0,0,0|1,0,1]=4 79 B9R0.2 CCCCCCCC(N)=O D91840 [2,0,0,0,0,0|1,0,0]=3 80 B9R0.2 NCCCCCCC(=O)O 33797 [2,0,0,0,0,0|1,0,0]=3 81 B9R0.2 NCCCCCCC(=O)O F11866 [2,0,0,0,0,0|1,0,0]=3 82 B9R0.2 O=C(O)CCCCCCBr F11868 [2,0,0,0,0,0|1,0,0]=3 83 B9R0.2 O=C(O)CCCCCCO O11656 [2,0,0,0,0,0|1,0,0]=3 84 B9R0.45 BrCCCCCCCCBr O10358 [2,0,0,0,0,0|2,0,0]=4 85 B9R0.45 C#CCCCCCCCC F11366 [2,0,0,0,0,0|0,0,2]=4 86 B9R0.45 C#CCCCCCCCO W16725 [2,0,0,0,0,0|0,0,2]=4 87 B9R0.45 C=CCCCCCCCBr I11993 [2,0,0,0,0,0|1,0,1]=4 88 B9R0.45 C=CCCCCCCCCl N12233 [2,0,0,0,0,0|1,0,1]=4 89 B9R0.45 C=CCCCCCCCO D91757 [2,0,0,0,0,0|0,0,2]=4 90 B9R0.45 CCCCCCCCC#N D91888 [2,0,0,0,0,0|1,0,1]=4 91 B9R0.45 CCCCCCCCCI D91171 [2,0,0,0,0,0|1,0,0]=3 92 B9R0.45 CCCCCCCCCO D70513 [2,0,0,0,0,0|0,0,0]=2 93 B9R0.45 CCCCCCCCNC O12029 [2,0,0,0,0,0|1,0,1]=4 94 B9R0.45 CCCCCCCNCC D90566 [2,0,0,0,0,0|1,0,1]=4 95 B9R0.45 CCCCCC\C=C/CO D91736 [2,0,0,0,0,0|0,0,2]=4 96 B9R0.45 CCCCCC\C=C\C=O D91718 [2,0,0,0,0,0|0,0,2]=4 97 B9R0.45 CCCCNCCCCO D88720 [2,0,0,0,0,0|1,0,0]=3 98 B9R0.45 CC\C=C/CCCCCO D91715 [2,0,0,0,0,0|0,0,2]=4 99 B9R0.45 ClCCCCCCCCCl O10360 [2,0,0,0,0,0|2,0,0]=4 100 B9R0.45 ICCCCCCCCI F19540 [2,0,0,0,0,0|2,0,0]=4 101 B9R0.45 NCCCCCCCCN F21311 [2,0,0,0,0,0|2,0,0]=4 102 B9R0.45 NCCCCCCCCO H11908 [2,0,0,0,0,0|1,0,0]=3 103 B9R0.45 OCCCCCCCCBr 54574 [2,0,0,0,0,0|1,0,0]=3 104 B9R0.45 OCCCCCCCCCl AC2187 [2,0,0,0,0,0|1,0,0]=3 105 B9R0.45 OCCCCCCCCO O12036 [2,0,0,0,0,0|1,0,0]=3 106 B9R0.45 SCCCCCCCCS D91866 [2,0,0,0,0,0|1,1,0]=4 107 B11R0.2 CCCCCC[C@H](C)OC(C)=O D92937 [1,1,0,0,0,0|2,0,0]=4 108 B11R0.30 CC(=O)NCCCCCC(=O)O D83405 [1,1,0,0,0,0|1,0,1]=4 109 B11R0.30 O=C(O)CCCCCCC(=O)O AC7522 [1,1,0,0,0,0|1,0,1]=4 110 B11R0.40 CCCCCCC#CC(=O)OC D91742 [1,1,0,0,0,0|0,0,2]=4 111 B11R0.40 CCCCCCCCC(=O)OC D91668 [1,1,0,0,0,0|0,0,0]=2 112 B11R0.40 CCCCCCCC[C@@H](O)CC D92752 [1,1,0,0,0,0|1,0,1]=4 113 B11R0.40 CCCCCCCC[C@H](O)CO D90105 [1,1,0,0,0,0|0,0,2]=4 114 B11R0.40 CCCCCC\C=C\C(=O)OC D70493 [1,1,0,0,0,0|0,0,2]=4 115 B11R0.46 CCCCCN(C)CCC(=O)O D81790 [1,1,0,0,0,0|1,0,0]=3 116 B11R0.46 CCCCC[C@H](C)CCC(=O)O D70230 [1,1,0,0,0,0|0,0,0]=2 117 B11R0.159 CCCCCCCCP(=O)(O)O H10451 [1,1,0,0,0,0|1,0,0]=3 118 B11R0.159 CCCCCCCCS(=O)(=O)Cl S11998 [1,1,0,0,0,0|1,0,1]=4 119 B11R0.159 CCCCCCCCS(=O)(=O)[O-] F10022 [1,1,0,0,0,0|1,0,1]=4 120 B11R0.159 CCCCCCCCS(=O)(=O)[O-] F10031 [1,1,0,0,0,0|1,0,1]=4 121 B11R0.176 CCOC(=O)CCCCC(=O)O C11248 [1,1,0,0,0,0|1,0,1]=4 122 B11R0.3 BrCCCCCCCCCCBr F11241 [1,1,0,0,0,0|1,0,1]=4 123 B11R0.3 C#CCCCCCCCCCC F10501 [1,1,0,0,0,0|1,0,1]=4 124 B11R0.3 C#CCCCCCCCCCO AT18750 [1,1,0,0,0,0|0,0,2]=4 125 B11R0.3 C=CCCCCCCCCCBr H10581 [1,1,0,0,0,0|1,0,0]=3 126 B11R0.3 C=CCCCCCCCCCC D70997 [1,1,0,0,0,0|1,0,0]=3 127 B11R0.3 C=CCCCCCCCCCO 74208 [1,1,0,0,0,0|1,0,0]=3 128 B11R0.3 CCCCCCCCCCC=O H10685 [1,1,0,0,0,0|0,0,0]=2 129 B11R0.3 CCCCCCCCCCCCl D89276 [1,1,0,0,0,0|1,0,1]=4 130 B11R0.3 CCCCCCCCCCCN D88318 [1,1,0,0,0,0|1,0,1]=4 131 B11R0.3 CCCCCCCCCCCO C14193 [1,1,0,0,0,0|0,0,1]=3 132 B11R0.3 CCCCCCCCNCCN 20292 [1,1,0,0,0,0|1,0,1]=4 133 B11R0.3 CCCCCCCC\C=C\C=O A11393 [1,1,0,0,0,0|0,0,1]=3 134 B11R0.3 ClCCCCCCCCCCCl D89619 [1,1,0,0,0,0|1,0,1]=4 135 B11R0.3 ICCCCCCCCCCI D83366 [1,1,0,0,0,0|1,0,1]=4 136 B11R0.3 NCCCCCCCCCCN D78157 [1,1,0,0,0,0|1,0,1]=4 137 B11R0.3 NCCCCCCCCCCO T70607 [1,1,0,0,0,0|0,0,1]=3 138 B11R0.3 OCCCCCCCCCCBr S12028 [1,1,0,0,0,0|0,0,1]=3 139 B11R0.3 OCCCCCCCCCCCl A10970 [1,1,0,0,0,0|0,0,1]=3 140 B11R0.3 OCCCCCCCCCCO D70495 [1,1,0,0,0,0|0,0,1]=3 141 B11R0.3 SCCCCCCCCCCS D89576 [1,1,0,0,0,0|0,1,1]=4 142 B11R0.140 CCCCCC(N)CCCCC T72322 [1,1,0,0,0,0|1,0,1]=4 143 B11R0.140 CCCCCC(O)CCCCC T72127 [1,1,0,0,0,0|1,0,1]=4 144 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] F10018 [0,2,0,0,0,0|1,0,1]=4 145 B13R0.54 CCCCCCCCCCCC(=O)[O-] D91228 [0,2,0,0,0,0|0,0,1]=3 146 B13R0.54 CCCCCCCCCCCC(=O)[O-] D92823 [0,2,0,0,0,0|0,0,1]=3 147 B13R0.54 CCCCCCCCCCCC(C)=O D78019 [0,2,0,0,0,0|1,0,0]=3 148 B13R0.54 CCCCCCCCCCCC(N)=O D91239 [0,2,0,0,0,0|1,0,0]=3 149 B13R0.54 CCCCCCCCCCC[C@H](C)O D92373 [0,2,0,0,0,0|1,0,1]=4 150 B13R0.54 CCCCCCCCCCOC(=O)Cl D89397 [0,2,0,0,0,0|1,0,0]=3 151 B13R0.54 CCCCCCCCCCOC(C)=O D88427 [0,2,0,0,0,0|1,0,0]=3 152 B13R0.54 NCCCCCCCCCCC(=O)O F14580 [0,2,0,0,0,0|0,0,0]=2 153 B13R0.54 O=C(O)CCCCCCCCCCBr 75165 [0,2,0,0,0,0|0,0,0]=2 154 B13R0.54 O=C(O)CCCCCCCCCCS F11363 [0,2,0,0,0,0|0,0,0]=2 155 B13R0.147 CCCCCCCCCCC(=O)OC 78282 [0,2,0,0,0,0|0,0,0]=2 156 B13R0.150 CCCCCCCCCC(=O)N(C)C I11514 [0,2,0,0,0,0|1,0,0]=3 157 B13R0.179 O=C(O)CCCCCCCCC(=O)O D70917 [0,2,0,0,0,0|0,0,1]=3 158 B13R0.202 COC(=O)CCCCCCCC(=O)O S10607 [0,2,0,0,0,0|0,0,1]=3 159 B13R0.2 CCCCCCCCCC(=O)OCCl D93248 [0,2,0,0,0,0|0,0,0]=2 160 B13R0.2 CCCCCCCCOC(=O)CC#N 78316 [0,2,0,0,0,0|2,0,0]=4 161 B13R0.2 CCCCCCCCOC(=O)CCC D95731 [0,2,0,0,0,0|2,0,0]=4 162 B13R0.2 CCOC(=O)CCCCCCCCBr T70716 [0,2,0,0,0,0|1,0,0]=3 163 B11R1.24 CCCC[C@H]1CCCC(=O)O1 D91705 [1,0,0,1,0,0|0,0,0]=2 164 B11R1.27 CCCCC[C@H]1CCC(=O)O1 D70273 [1,0,0,1,0,0|0,0,0]=2 165 B11R1.86 C[C@H]1CNCCN1CC(=O)O P19597 [1,0,0,1,0,0|2,0,0]=4 166 B11R1.91 O=C(O)CCC1CCCCC1 H10698 [1,0,0,1,0,0|0,0,0]=2 167 B11R1.91 O=C(O)CCC1CCNCC1 82923 [1,0,0,1,0,0|1,0,0]=3 168 B11R1.91 O=C(O)CCC1CCNCC1 82924 [1,0,0,1,0,0|1,0,0]=3 169 B11R1.91 O=C(O)CCN1CCCCC1 65244 [1,0,0,1,0,0|1,0,0]=3 170 B11R1.91 O=C(O)CCN1CCOCC1 F11750 [1,0,0,1,0,0|2,0,0]=4 171 B11R1.91 O=C(O)CCN1CCOCC1 F11751 [1,0,0,1,0,0|2,0,0]=4 172 B11R1.91 O=C(O)COC1CCCCC1 29839 [1,0,0,1,0,0|1,0,0]=3 173 B11R1.91 O=C(O)\C=C\C1CCCCC1 12218 [1,0,0,1,0,0|0,0,2]=4 174 B11R1.742 O=C(O)CC1CCCCCC1 BL003152 [1,0,0,1,0,0|0,0,0]=2 175 B11R1.28 BrCCCCC1CCCCC1 AB1243 [1,0,0,1,0,0|1,0,1]=4 176 B11R1.28 OCCCCN1CCCCC1 65596 [1,0,0,1,0,0|1,0,1]=4 177 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 D70490 [0,1,0,1,0,0|0,0,0]=2 178 B13R1.3523 O=S(=O)(O)CCNC1CCCCC1 F20312 [0,1,0,1,0,0|2,0,0]=4 179 B13R1.513 CN1CCN(CCCC(=O)O)CC1 31839 [0,1,0,1,0,0|2,0,0]=4 180 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)O F30029 [0,1,0,1,0,0|1,0,1]=4 181 B13R1.342 O=C(O)CCCC(=O)N1CCCC1 D81736 [0,1,0,1,0,0|1,0,1]=4 182 B13R1.2744 CCCCOC(=O)[C@H]1C[C@H]1C(=O)O P16394 [0,1,0,1,0,0|1,0,1]=4 183 B13R1.6 CCCCCC[C@H]1CCCC(=O)O1 D70227 [0,1,0,1,0,0|0,0,0]=2 184 B13R1.279 O=C1CCCCCCCCCCC1 D97449 [0,1,0,1,0,0|1,0,0]=3 185 B13R1.279 OC1CCCCCCCCCCC1 A10314 [0,1,0,1,0,0|1,0,1]=4 186 B13R1.659 CCCCCCCCCC[C@H]1CO1 D89968 [0,1,0,1,0,0|1,0,1]=4 187 B13R1.718 O=C(CCl)NCCC1CCCCC1 W15944 [0,1,0,1,0,0|2,0,0]=4 188 B13R1.351 N[C@@H](CCC1CCCCC1)C(=O)O F14396 [0,1,0,1,0,0|0,0,0]=2 189 B13R1.351 N[C@@H](CCC1CCCCC1)C(=O)O F14397 [0,1,0,1,0,0|0,0,0]=2 190 B13R1.589 CC(=O)N1CCCC[C@@H]1CC(=O)O 31749 [0,1,0,1,0,0|1,0,1]=4 191 B13R2.435 O=C(O)C1CC2CCCCC2N1 33516 [0,0,0,2,0,0|1,0,0]=3 192 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 AC7741 [0,0,0,2,0,0|1,0,0]=3 193 B13R2.14125 O=C(O)CC12CCCN1CCC2 34196 [0,0,0,2,0,0|1,0,0]=3 194 B13R2.5574 O=C(O)[C@@H]1CCCN1CC2CC2 D83100 [0,0,0,2,0,0|1,0,0]=3