0 B10R0.74 CCCCCCCC(=O)NN 23135 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.74 CCCCCCCC(=O)NO 35665 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.74 CCCCCCCC(=O)NO D89270 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.2 CCCCCCCB(O)O F30119 [1,0,0,0,0,0|2,0,0]=3 4 B9R0.2 CCCCCCCC(N)=O D91840 [1,0,0,0,0,0|1,0,2]=4 5 B9R0.2 NCCCCCCC(=O)O 33797 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.2 NCCCCCCC(=O)O F11866 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.2 O=C(O)CCCCCCBr F11868 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.2 O=C(O)CCCCCCO O11656 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.45 BrCCCCCCCCBr O10358 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.45 C#CCCCCCCCC F11366 [1,0,0,0,0,0|0,0,2]=3 11 B9R0.45 C#CCCCCCCCO W16725 [1,0,0,0,0,0|1,0,2]=4 12 B9R0.45 C=CCCCCCCC=C D89618 [1,0,0,0,0,0|0,0,2]=3 13 B9R0.45 C=CCCCCCCCBr I11993 [1,0,0,0,0,0|1,0,0]=2 14 B9R0.45 C=CCCCCCCCCl N12233 [1,0,0,0,0,0|1,0,0]=2 15 B9R0.45 C=CCCCCCCCO D91757 [1,0,0,0,0,0|1,0,0]=2 16 B9R0.45 CCCCCCCCC#N D91888 [1,0,0,0,0,0|1,0,1]=3 17 B9R0.45 CCCCCCCCCI D91171 [1,0,0,0,0,0|1,0,1]=3 18 B9R0.45 CCCCCCCCCO D70513 [1,0,0,0,0,0|1,0,1]=3 19 B9R0.45 CCCCCCCCNC O12029 [1,0,0,0,0,0|1,0,1]=3 20 B9R0.45 CCCCCCCNCC D90566 [1,0,0,0,0,0|1,0,2]=4 21 B9R0.45 CCCCCC\C=C\C=O D91718 [1,0,0,0,0,0|1,0,2]=4 22 B9R0.45 CCCCNCCCCO D88720 [1,0,0,0,0,0|2,0,1]=4 23 B9R0.45 CNCCCCCCNC F17013 [1,0,0,0,0,0|2,0,1]=4 24 B9R0.45 COCCCCCCOC D90120 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.45 ClCCCCCCCCCl O10360 [1,0,0,0,0,0|2,0,1]=4 26 B9R0.45 ICCCCCCCCI F19540 [1,0,0,0,0,0|2,0,1]=4 27 B9R0.45 NCCCCCCCCN F21311 [1,0,0,0,0,0|2,0,1]=4 28 B9R0.45 NCCCCCCCCO H11908 [1,0,0,0,0,0|2,0,1]=4 29 B9R0.45 OCCCCCCCCBr 54574 [1,0,0,0,0,0|2,0,1]=4 30 B9R0.45 OCCCCCCCCCl AC2187 [1,0,0,0,0,0|2,0,1]=4 31 B9R0.45 OCCCCCCCCO O12036 [1,0,0,0,0,0|2,0,1]=4 32 B9R0.45 SCCCCCCCCS D91866 [1,0,0,0,0,0|2,0,1]=4 33 B9R0.46 CCCCCC[C@H](O)CO F21409 [1,0,0,0,0,0|1,0,1]=3 34 B11R0.4 C=COC(=O)CCCCCCC D84790 [0,1,0,0,0,0|0,0,2]=3 35 B11R0.4 CC=CC(=O)OCCCCCC D95666 [0,1,0,0,0,0|1,0,2]=4 36 B11R0.40 C=CC(=O)OCCCCCCBr D93324 [0,1,0,0,0,0|1,0,2]=4 37 B11R0.40 CCCCCCCC[C@@H](O)CC D92752 [0,1,0,0,0,0|0,0,2]=3 38 B11R0.40 CCCCCCCC[C@H](O)CO D90105 [0,1,0,0,0,0|1,0,1]=3 39 B11R1.1 CCCCC1CCC(O)CC1 D88877 [0,0,0,1,0,0|0,0,2]=3 40 B11R1.381 CCN1CCCC[C@H](N)C1=O 60756 [0,0,0,1,0,0|3,0,0]=4 41 B11R1.381 CCN1CCCC[C@H](N)C1=O 66025 [0,0,0,1,0,0|3,0,0]=4 42 B8R0.4 BrCCCCCCCBr H11758 [2,0,0,0,0,0|2,0,0]=4 43 B8R0.4 C#CCCCCCCO 85580 [2,0,0,0,0,0|0,0,2]=4 44 B8R0.4 C=CCCCCCCBr 78390 [2,0,0,0,0,0|1,0,0]=3 45 B8R0.4 C=CCCCCCCCl I11995 [2,0,0,0,0,0|1,0,0]=3 46 B8R0.4 CCCCCCCCCl D97411 [2,0,0,0,0,0|1,0,0]=3 47 B8R0.4 CCCCCCCCI W18672 [2,0,0,0,0,0|1,0,0]=3 48 B8R0.4 CCCCCCCCN D91873 [2,0,0,0,0,0|1,0,0]=3 49 B8R0.4 CCCCCCCCN D91878 [2,0,0,0,0,0|1,0,0]=3 50 B8R0.4 CCCCCCCNC D82019 [2,0,0,0,0,0|1,0,1]=4 51 B8R0.4 CCCCC\C=C\CO D91843 [2,0,0,0,0,0|0,0,2]=4 52 B8R0.4 CCCC[SnH4+2]CCCC D95293 [2,0,0,0,0,0|1,0,1]=4 53 B8R0.4 CCCC[SnH4+2]CCCC D95356 [2,0,0,0,0,0|1,0,1]=4 54 B8R0.4 CCOCCOCCO D72502 [2,0,0,0,0,0|2,0,0]=4 55 B8R0.4 NCCCCCCCN O11823 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.4 OCCCCCCCBr 34162 [2,0,0,0,0,0|1,0,0]=3 57 B8R0.4 OCCCCCCCCl D97219 [2,0,0,0,0,0|1,0,0]=3 58 B8R0.4 OCCCCCCCO H10510 [2,0,0,0,0,0|1,0,0]=3 59 B8R0.4 OCCCNCCCO O10901 [2,0,0,0,0,0|2,0,0]=4 60 B8R0.7 CCCCCCB(O)O 33195 [2,0,0,0,0,0|2,0,0]=4 61 B8R0.7 CCCCCC[C@H](C)Br F21283 [2,0,0,0,0,0|1,0,1]=4 62 B8R0.7 CCCCCC[C@H](C)O AC1155 [2,0,0,0,0,0|0,0,1]=3 63 B8R0.7 CCCCCC[C@H](C)O D71187 [2,0,0,0,0,0|0,0,1]=3 64 B8R0.7 CCCCCC[C@H](C)O D81747 [2,0,0,0,0,0|0,0,1]=3 65 B8R0.6 C=CC(=O)CCCCC D71008 [2,0,0,0,0,0|0,0,2]=4 66 B8R0.6 C=C[C@@H](O)CCCCC D91822 [2,0,0,0,0,0|0,0,0]=2 67 B8R0.6 CCCCC[C@@H](O)CC D78240 [2,0,0,0,0,0|0,0,2]=4 68 B10R0.4 CCCCCCCCB(O)O 33153 [1,1,0,0,0,0|2,0,0]=4 69 B10R0.4 NCCCCCCCC(=O)O 52148 [1,1,0,0,0,0|1,0,1]=4 70 B10R0.4 O=C(O)CCCCCCCBr C10414 [1,1,0,0,0,0|1,0,1]=4 71 B10R0.75 CCCCCC[C@H](N)C(=O)O C14122 [1,1,0,0,0,0|1,0,1]=4 72 B10R0.75 CCCCCC[C@H](N)C(=O)O D86759 [1,1,0,0,0,0|1,0,1]=4 73 B10R0.75 CCCCCC[C@H](N)C(=O)O S10911 [1,1,0,0,0,0|1,0,1]=4 74 B10R0.75 CCCCCC[C@H](O)C(=O)O D81442 [1,1,0,0,0,0|1,0,1]=4 75 B10R0.78 CCCC[C@H](C)CCC(=O)O D83868 [1,1,0,0,0,0|1,0,1]=4 76 B10R0.97 CC(C)CCCCCC(=O)O D93038 [1,1,0,0,0,0|1,0,1]=4 77 B10R0.71 BrCCCCCCCCCBr O10362 [1,1,0,0,0,0|1,0,1]=4 78 B10R0.71 C#CCCCCCCCCO F16255 [1,1,0,0,0,0|0,0,2]=4 79 B10R0.71 C=CCCCCCCCCBr 29297 [1,1,0,0,0,0|0,0,0]=2 80 B10R0.71 CCCCCCCCCCI D95272 [1,1,0,0,0,0|0,0,2]=4 81 B10R0.71 CCCCCCCCCCN C93407 [1,1,0,0,0,0|0,0,2]=4 82 B10R0.71 CCCCCCCCCCS D94658 [1,1,0,0,0,0|0,0,2]=4 83 B10R0.71 CCCCCCCCN=C=O D94691 [1,1,0,0,0,0|1,0,1]=4 84 B10R0.71 CCCCCCCCN=C=S D91876 [1,1,0,0,0,0|1,0,1]=4 85 B10R0.71 CCCCCCCCNC=O D91867 [1,1,0,0,0,0|1,0,0]=3 86 B10R0.71 CCCCCCC\C=C\C=O A11384 [1,1,0,0,0,0|0,0,1]=3 87 B10R0.71 ClCCCCCCCCCCl 35145 [1,1,0,0,0,0|1,0,1]=4 88 B10R0.71 NCCCCCCCCCN F16023 [1,1,0,0,0,0|1,0,1]=4 89 B10R0.71 OCCCCCCCCCBr 54800 [1,1,0,0,0,0|1,0,1]=4 90 B10R0.71 OCCCCCCCCCCl D94653 [1,1,0,0,0,0|1,0,1]=4 91 B10R0.71 OCCCCCCCCCO F20315 [1,1,0,0,0,0|1,0,1]=4 92 B10R0.71 SCCCCCCCCCS D97848 [1,1,0,0,0,0|1,0,1]=4 93 B10R0.91 C=CCOC(=O)CCCCC A50641 [1,1,0,0,0,0|1,0,1]=4 94 B12R0.4 CCCCCCC[C@H](C)OC(C)=O D88435 [0,2,0,0,0,0|1,0,1]=4 95 B12R0.57 CCCCCCCCC(OC)OC D97662 [0,2,0,0,0,0|1,0,1]=4 96 B12R0.251 CCCCCCCC[C@H](N)C(=O)O 73329 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.10 CCC[C@H]1CCCC(=O)O1 D70795 [1,0,0,1,0,0|1,0,1]=4 98 B10R1.18 O=C(O)CC1CCCCC1 F11130 [1,0,0,1,0,0|1,0,1]=4 99 B10R1.66 O=C(O)CCC1CCCC1 73318 [1,0,0,1,0,0|1,0,1]=4 100 B10R1.126 O=C(O)CCCCC1CC1 D84271 [1,0,0,1,0,0|1,0,1]=4 101 B10R1.348 O=C(O)C1CCCCCC1 O11712 [1,0,0,1,0,0|1,0,1]=4 102 B10R1.4 C=CC[C@H]1CCCCC1=O 51110 [1,0,0,1,0,0|1,0,1]=4 103 B10R1.4 CCC[C@H]1CCCCC1=O D92072 [1,0,0,1,0,0|1,0,0]=3 104 B10R1.5 C=CCN1CCC[C@@H]1CN D82367 [1,0,0,1,0,0|2,0,0]=4 105 B10R1.17 C#CCCC1CCCCC1 59502 [1,0,0,1,0,0|0,0,2]=4 106 B10R1.17 C=CCO[C@@H]1CCCCO1 C93480 [1,0,0,1,0,0|2,0,0]=4 107 B10R1.17 NCCCC1CCCCC1 N10393 [1,0,0,1,0,0|1,0,1]=4 108 B10R1.17 OCCCC1CCCCC1 A10410 [1,0,0,1,0,0|1,0,1]=4 109 B10R1.29 CCCCN1CCCC1=O 56158 [1,0,0,1,0,0|2,0,0]=4 110 B10R1.1 CCCC1CCC(O)CC1 23014 [1,0,0,1,0,0|0,0,2]=4 111 B10R1.1 CCC[C@H]1CC[C@H](O)CC1 N10575 [1,0,0,1,0,0|0,0,2]=4 112 B12R1.37 CCCCCCCC1OCCO1 D95406 [0,1,0,1,0,0|0,0,2]=4 113 B12R1.1 CCCCCC1CCC(O)CC1 D71237 [0,1,0,1,0,0|0,0,2]=4 114 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O 59466 [0,1,0,1,0,0|2,0,0]=4 115 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O 59467 [0,1,0,1,0,0|2,0,0]=4 116 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O A50362 [0,1,0,1,0,0|2,0,0]=4 117 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O D75773 [0,1,0,1,0,0|2,0,0]=4 118 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O F14510 [0,1,0,1,0,0|2,0,0]=4 119 B12R2.24 OC1CCC2CCCCC2C1 D89972 [0,0,0,2,0,0|0,0,2]=4