0 B12R0.234 C#CCCCCCCCCC(=O)O AT18751 [0,0,0,0,0,0|0,0,2]=2 1 B12R0.234 C=CCCCCCCCCC(=O)O P19683 [0,0,0,0,0,0|0,0,2]=2 2 B12R0.234 CCCCCCCCCCB(O)O I10259 [0,0,0,0,0,0|1,0,1]=2 3 B12R0.234 CCCCCCCCCCC(=O)Cl D92750 [0,0,0,0,0,0|1,0,0]=1 4 B12R0.234 CCCCCCCCCCC(=O)O P19940 [0,0,0,0,0,0|0,0,0]=0 5 B12R0.234 CCCCCCCCCCC(C)=O D89937 [0,0,0,0,0,0|1,0,0]=1 6 B12R0.234 CCCCCCCCCC[C@H](C)O D90139 [0,0,0,0,0,0|1,0,1]=2 7 B12R0.234 CCCCCCCCCOC(=O)Cl D88620 [0,0,0,0,0,0|2,0,0]=2 8 B12R0.234 CCCCCCCCOCC(=O)O D82573 [0,0,0,0,0,0|1,0,0]=1 9 B12R0.234 CCCCCCCC\C=C\C(=O)O 22839 [0,0,0,0,0,0|0,0,2]=2 10 B12R0.234 NCCCCCCCCCC(=O)O C72238 [0,0,0,0,0,0|1,0,0]=1 11 B12R0.234 O=C(O)CCCCCCCCCBr AC1279 [0,0,0,0,0,0|1,0,0]=1 12 B12R0.234 O=C(O)CCCCCCCCCO 36747 [0,0,0,0,0,0|1,0,0]=1 13 B11R0.3 BrCCCCCCCCCCBr F11241 [1,0,0,0,0,0|2,0,1]=4 14 B11R0.3 C#CCCCCCCCCCC F10501 [1,0,0,0,0,0|1,0,1]=3 15 B11R0.3 C#CCCCCCCCCCO AT18750 [1,0,0,0,0,0|0,0,3]=4 16 B11R0.3 C=CCCCCCCCCCBr H10581 [1,0,0,0,0,0|2,0,0]=3 17 B11R0.3 C=CCCCCCCCCCC D70997 [1,0,0,0,0,0|1,0,0]=2 18 B11R0.3 C=CCCCCCCCCCO 74208 [1,0,0,0,0,0|2,0,0]=3 19 B11R0.3 CCCCCCCCCCC=O H10685 [1,0,0,0,0,0|0,0,0]=1 20 B11R0.3 CCCCCCCCCCCCl D89276 [1,0,0,0,0,0|1,0,1]=3 21 B11R0.3 CCCCCCCCCCCN D88318 [1,0,0,0,0,0|1,0,1]=3 22 B11R0.3 CCCCCCCCCCCO C14193 [1,0,0,0,0,0|0,0,1]=2 23 B11R0.3 CCCCCCCCNCCN 20292 [1,0,0,0,0,0|2,0,1]=4 24 B11R0.3 CCCCCCCC\C=C\C=O A11393 [1,0,0,0,0,0|0,0,2]=3 25 B11R0.3 ClCCCCCCCCCCCl D89619 [1,0,0,0,0,0|2,0,1]=4 26 B11R0.3 ICCCCCCCCCCI D83366 [1,0,0,0,0,0|2,0,1]=4 27 B11R0.3 NCCCCCCCCCCN D78157 [1,0,0,0,0,0|2,0,1]=4 28 B11R0.3 NCCCCCCCCCCO T70607 [1,0,0,0,0,0|1,0,1]=3 29 B11R0.3 OCCCCCCCCCCBr S12028 [1,0,0,0,0,0|1,0,1]=3 30 B11R0.3 OCCCCCCCCCCCl A10970 [1,0,0,0,0,0|1,0,1]=3 31 B11R0.3 OCCCCCCCCCCO D70495 [1,0,0,0,0,0|1,0,1]=3 32 B11R0.3 SCCCCCCCCCCS D89576 [1,0,0,0,0,0|1,1,1]=4 33 B11R0.148 C=CCCCCCCCC(=O)O N12000 [1,0,0,0,0,0|0,0,2]=3 34 B11R0.148 CCCCCCCCCC(=O)O D70225 [1,0,0,0,0,0|0,0,0]=1 35 B11R0.148 CCCCCCCCCC(=O)[O-] F19532 [1,0,0,0,0,0|0,0,1]=2 36 B11R0.148 CCCCCCCCCC(C)=O F17694 [1,0,0,0,0,0|1,0,0]=2 37 B11R0.148 CCCCCCCCCC(C)C C11011 [1,0,0,0,0,0|2,0,1]=4 38 B11R0.148 CCCCCCCCCC(N)=O D89393 [1,0,0,0,0,0|1,0,0]=2 39 B11R0.148 CCCCCCCCC[13C](=O)O D78974 [1,0,0,0,0,0|0,0,0]=1 40 B11R0.148 CCCCCCCCC[C@H](C)O D92751 [1,0,0,0,0,0|1,0,1]=3 41 B11R0.148 CCCCCCCCOC(=O)Cl D89288 [1,0,0,0,0,0|2,0,0]=3 42 B11R0.148 CCCCC\C=C\CCC(=O)O D90291 [1,0,0,0,0,0|0,0,2]=3 43 B11R0.148 CCCCOCCOCC(=O)O W16397 [1,0,0,0,0,0|2,0,0]=3 44 B11R0.148 COCCOCCOCC(=O)O D95266 [1,0,0,0,0,0|3,0,0]=4 45 B11R0.148 NCCOCCOCCC(=O)O H11015 [1,0,0,0,0,0|3,0,0]=4 46 B11R0.148 O=C(O)CCCCCCCCBr 54506 [1,0,0,0,0,0|1,0,0]=2 47 B11R0.148 O=C(O)CCCCCCCCO 29995 [1,0,0,0,0,0|1,0,0]=2 48 B13R0.54 CCCCCCCCCCCC(=O)[O-] D91228 [0,1,0,0,0,0|0,0,1]=2 49 B13R0.54 CCCCCCCCCCCC(=O)[O-] D92823 [0,1,0,0,0,0|0,0,1]=2 50 B13R0.54 CCCCCCCCCCCC(C)=O D78019 [0,1,0,0,0,0|1,0,0]=2 51 B13R0.54 CCCCCCCCCCCC(N)=O D91239 [0,1,0,0,0,0|1,0,0]=2 52 B13R0.54 CCCCCCCCCCC[C@H](C)O D92373 [0,1,0,0,0,0|1,0,1]=3 53 B13R0.54 CCCCCCCCCCOC(=O)Cl D89397 [0,1,0,0,0,0|1,0,0]=2 54 B13R0.54 CCCCCCCCCCOC(C)=O D88427 [0,1,0,0,0,0|1,0,0]=2 55 B13R0.54 NCCCCCCCCCCC(=O)O F14580 [0,1,0,0,0,0|0,0,0]=1 56 B13R0.54 O=C(O)CCCCCCCCCCBr 75165 [0,1,0,0,0,0|0,0,0]=1 57 B13R0.54 O=C(O)CCCCCCCCCCS F11363 [0,1,0,0,0,0|0,0,0]=1 58 B13R0.147 CCCCCCCCCCC(=O)OC 78282 [0,1,0,0,0,0|0,0,0]=1 59 B13R0.179 O=C(O)CCCCCCCCC(=O)O D70917 [0,1,0,0,0,0|1,0,1]=3 60 B13R0.202 COC(=O)CCCCCCCC(=O)O S10607 [0,1,0,0,0,0|1,0,1]=3 61 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] F10018 [0,1,0,0,0,0|1,0,1]=3 62 B13R0.280 CCCCCCCCCC[N+](C)(C)C D87915 [0,1,0,0,0,0|3,0,0]=4 63 B13R0.280 CCCCCCCCCC[N+](C)(C)C H11342 [0,1,0,0,0,0|3,0,0]=4 64 B13R0.280 CCCCCCCCCC[Si](Cl)(Cl)Cl D89871 [0,1,0,0,0,0|2,1,0]=4 65 B13R1.6 CCCCCC[C@H]1CCCC(=O)O1 D70227 [0,0,0,1,0,0|0,0,0]=1 66 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 D70490 [0,0,0,1,0,0|0,0,0]=1 67 B13R1.279 NC1CCCCCCCCCCC1 F16394 [0,0,0,1,0,0|2,0,1]=4 68 B13R1.279 O=C1CCCCCCCCCCC1 D97449 [0,0,0,1,0,0|1,0,0]=2 69 B13R1.279 OC1CCCCCCCCCCC1 A10314 [0,0,0,1,0,0|1,0,1]=3 70 B13R1.659 CCCCCCCCCC[C@H]1CO1 D89968 [0,0,0,1,0,0|1,0,1]=3 71 B10R0.71 BrCCCCCCCCCBr O10362 [2,0,0,0,0,0|2,0,0]=4 72 B10R0.71 C#CCCCCCCCCO F16255 [2,0,0,0,0,0|0,0,2]=4 73 B10R0.71 C=CCCCCCCCCBr 29297 [2,0,0,0,0,0|1,0,1]=4 74 B10R0.71 CCCCCCCCCCI D95272 [2,0,0,0,0,0|1,0,0]=3 75 B10R0.71 CCCCCCCCCCN C93407 [2,0,0,0,0,0|1,0,0]=3 76 B10R0.71 CCCCCCCCCCS D94658 [2,0,0,0,0,0|0,1,0]=3 77 B10R0.71 CCCCCCCCN=C=O D94691 [2,0,0,0,0,0|1,0,1]=4 78 B10R0.71 CCCCCCCCNC=O D91867 [2,0,0,0,0,0|1,0,0]=3 79 B10R0.71 CCCCCCC\C=C\C=O A11384 [2,0,0,0,0,0|0,0,2]=4 80 B10R0.71 CCCCC\C=C\CCCO D90033 [2,0,0,0,0,0|0,0,2]=4 81 B10R0.71 ClCCCCCCCCCCl 35145 [2,0,0,0,0,0|2,0,0]=4 82 B10R0.71 NCCCCCCCCCN F16023 [2,0,0,0,0,0|2,0,0]=4 83 B10R0.71 OCCCCCCCCCBr 54800 [2,0,0,0,0,0|1,0,0]=3 84 B10R0.71 OCCCCCCCCCCl D94653 [2,0,0,0,0,0|1,0,0]=3 85 B10R0.71 OCCCCCCCCCO F20315 [2,0,0,0,0,0|1,0,0]=3 86 B10R0.71 OCCCCNCCCCO A11650 [2,0,0,0,0,0|2,0,0]=4 87 B10R0.71 SCCCCCCCCCS D97848 [2,0,0,0,0,0|1,1,0]=4 88 B10R0.4 C=CCCCCCCC(=O)O I11998 [2,0,0,0,0,0|0,0,2]=4 89 B10R0.4 CCCCCCCCB(O)O 33153 [2,0,0,0,0,0|1,0,1]=4 90 B10R0.4 CCCCCCCCC(=O)Cl D91690 [2,0,0,0,0,0|1,0,0]=3 91 B10R0.4 CCCCCCCCC(=O)[O-] D91669 [2,0,0,0,0,0|0,0,1]=3 92 B10R0.4 CCCCCCCCC(C)=O D89897 [2,0,0,0,0,0|1,0,0]=3 93 B10R0.4 CCCCCCCOC(=O)Cl 62102 [2,0,0,0,0,0|2,0,0]=4 94 B10R0.4 NCCCCCCCC(=O)O 52148 [2,0,0,0,0,0|1,0,0]=3 95 B10R0.4 O=C(O)CCCCCCCBr C10414 [2,0,0,0,0,0|1,0,0]=3 96 B10R0.4 O=CCCCCCCC(=O)O D80547 [2,0,0,0,0,0|1,0,1]=4 97 B12R0.5 BrCCCCCCCCCCCBr D83367 [1,1,0,0,0,0|1,0,1]=4 98 B12R0.5 C=CCCCCCCCCCCBr A11303 [1,1,0,0,0,0|1,0,0]=3 99 B12R0.5 C=CCCCCCCCCCCC D92374 [1,1,0,0,0,0|1,0,0]=3 100 B12R0.5 CCCCCCCCCCCC#N D91248 [1,1,0,0,0,0|1,0,1]=4 101 B12R0.5 CCCCCCCCCCCC=O D77654 [1,1,0,0,0,0|0,0,0]=2 102 B12R0.5 CCCCCCCCCCCCI S12219 [1,1,0,0,0,0|1,0,1]=4 103 B12R0.5 CCCCCCCCCCCCN D89752 [1,1,0,0,0,0|1,0,1]=4 104 B12R0.5 CCCCCCNCCCCCC D77803 [1,1,0,0,0,0|1,0,1]=4 105 B12R0.5 CCCCCCSCCCCCC D90851 [1,1,0,0,0,0|1,0,1]=4 106 B12R0.5 NCCCCCCCCCCCN H11741 [1,1,0,0,0,0|1,0,1]=4 107 B12R0.5 OCCCCCCCCCCCBr A51044 [1,1,0,0,0,0|0,0,1]=3 108 B12R0.5 OCCCCCCCCCCCO 29000 [1,1,0,0,0,0|0,0,1]=3 109 B12R0.4 CCCCCCC[C@H](C)OC(C)=O D88435 [1,1,0,0,0,0|2,0,0]=4 110 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] F10021 [1,1,0,0,0,0|1,0,1]=4 111 B12R0.184 COC(=O)CCCCCCC(=O)O 35897 [1,1,0,0,0,0|1,0,1]=4 112 B12R0.251 CCCCCCCC[C@H](N)C(=O)O 73329 [1,1,0,0,0,0|0,0,0]=2 113 B12R0.268 O=C(O)CCCCCCCC(=O)O D70171 [1,1,0,0,0,0|1,0,1]=4 114 B12R0.277 CCOC(=O)CCCCCC(=O)O H11366 [1,1,0,0,0,0|1,0,1]=4 115 B14R0.68 O=C(O)CCCCCCCCCC(=O)O 35146 [0,2,0,0,0,0|0,0,1]=3 116 B14R0.88 CCCCCCCCCCCP(=O)(O)O T72552 [0,2,0,0,0,0|1,0,0]=3 117 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] F17202 [0,2,0,0,0,0|1,0,1]=4 118 B14R0.88 CCCCCCCCCCOS(=O)(=O)[O-] D78385 [0,2,0,0,0,0|1,0,1]=4 119 B14R0.305 COC(=O)CCCCCCCCC(=O)O AC8362 [0,2,0,0,0,0|0,0,1]=3 120 B14R0.337 C#C[C@@H](O)CCCCCCCCCCC W12316 [0,2,0,0,0,0|1,0,1]=4 121 B14R0.337 CCCCCCCCCCCC(=O)NC D91599 [0,2,0,0,0,0|1,0,0]=3 122 B14R0.337 CCCCCCCCCCCC(=O)OC D77652 [0,2,0,0,0,0|0,0,0]=2 123 B14R0.337 COC(=O)CCCCCCCCCCBr F20921 [0,2,0,0,0,0|0,0,0]=2 124 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O C74815 [0,2,0,0,0,0|0,0,0]=2 125 B14R0.394 CCCCCCCCCCCCB(O)O H11393 [0,2,0,0,0,0|1,0,1]=4 126 B14R0.394 CCCCCCCCCCCCC(=O)O H10745 [0,2,0,0,0,0|0,0,0]=2 127 B14R0.394 CCCCCCCCCCCC[S@](C)=O D70250 [0,2,0,0,0,0|2,0,0]=4 128 B14R0.394 NCCOCCOCCOCCC(=O)O H11016 [0,2,0,0,0,0|2,0,0]=4 129 B14R0.394 O=C(O)CCCCCCCCCCCBr F13219 [0,2,0,0,0,0|0,0,0]=2 130 B14R0.394 O=C(O)CCCCCCCCCCCO O10368 [0,2,0,0,0,0|0,0,0]=2 131 B14R0.393 CCCCCCCCCCC(=O)OCC 78222 [0,2,0,0,0,0|0,0,0]=2 132 B14R0.393 CCOC(=O)CCCCCCCCCBr T71050 [0,2,0,0,0,0|1,0,0]=3 133 B12R1.18 NCCCN1CCCCCC1=O F14229 [1,0,0,1,0,0|2,0,0]=4 134 B12R1.37 CCCCCCCC1OCCO1 D95406 [1,0,0,1,0,0|1,0,1]=4 135 B12R1.372 CCCCCCN1CCCC1=O 68655 [1,0,0,1,0,0|1,0,0]=3 136 B12R1.550 C1=CCCCCCCCCCC1 D89251 [1,0,0,1,0,0|1,0,0]=3 137 B12R1.550 C1CCCCCCCCCCC1 D89269 [1,0,0,1,0,0|1,0,1]=4 138 B12R1.7 CCCCCC[C@H]1CCC(=O)O1 D70097 [1,0,0,1,0,0|0,0,0]=2 139 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 AC2158 [1,0,0,1,0,0|0,0,0]=2 140 B12R1.252 O=C(O)CCCC1CCCCC1 F16379 [1,0,0,1,0,0|0,0,0]=2 141 B12R1.252 O=C(O)CCCC1CCNCC1 65108 [1,0,0,1,0,0|1,0,0]=3 142 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 23162 [1,0,0,1,0,0|2,0,0]=4 143 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 42222 [1,0,0,1,0,0|2,0,0]=4 144 B14R1.770 CCCCC1CC(=O)CC1CC(=O)O D83095 [0,1,0,1,0,0|0,0,1]=3 145 B14R1.26 CCCCCCCC1OCCC(C)O1 D93037 [0,1,0,1,0,0|1,0,1]=4 146 B14R1.26 CCCCCCC[C@H]1CCCC(=O)O1 D70226 [0,1,0,1,0,0|0,0,0]=2 147 B14R1.122 CCCCCCCC[C@H]1CCC(=O)O1 D89886 [0,1,0,1,0,0|0,0,0]=2 148 B14R1.14 CCCCCCCC1CCC(=O)CC1 D83611 [0,1,0,1,0,0|1,0,0]=3 149 B14R1.423 O=C(O)CCC(=O)OC1CCCCC1 A10964 [0,1,0,1,0,0|1,0,1]=4 150 B14R1.3331 O=S(=O)(O)CCCNC1CCCCC1 F20300 [0,1,0,1,0,0|2,0,0]=4