0 B10R0.91 CCCCCC(=O)OCCC B25215 [0,0,0,0,0,0|0,0,2]=2 1 B10R0.91 CCCCNC(=O)CCCCl H59083 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.5 CCCC#CC(=O)OCC L05237 [1,0,0,0,0,0|0,0,3]=4 3 B9R0.5 CCCCCC(=O)CCC A15050 [1,0,0,0,0,0|0,0,2]=3 4 B9R0.5 CCCCCC(=O)OCC A13985 [1,0,0,0,0,0|0,0,1]=2 5 B9R0.5 CCCCCC(CC=C)O B20284 [1,0,0,0,0,0|0,0,2]=3 6 B9R0.5 CCCCOC(=O)CCC B24390 [1,0,0,0,0,0|1,0,2]=4 7 B9R0.5 CCC\C=C\C(=O)OCC A15136 [1,0,0,0,0,0|0,0,3]=4 8 B9R0.5 CCOC(=O)CCCCBr A11952 [1,0,0,0,0,0|1,0,1]=3 9 B9R0.5 CCOC(=O)CCCCN H51682 [1,0,0,0,0,0|1,0,1]=3 10 B9R0.5 CCOC(=O)CCCC[Zn+] H58248 [1,0,0,0,0,0|1,0,1]=3 11 B9R0.5 CCOCCC(=O)OCC B24024 [1,0,0,0,0,0|1,0,1]=3 12 B9R0.5 CC\C=C\CC(=O)OCC A19734 [1,0,0,0,0,0|0,0,3]=4 13 B9R0.18 C=CCOC(=O)CCCBr L18020 [1,0,0,0,0,0|1,0,0]=2 14 B9R0.18 CCCCC(=O)CCCC A13722 [1,0,0,0,0,0|1,0,2]=4 15 B9R0.45 C=CCCCCCCCBr H64792 [1,0,0,0,0,0|2,0,1]=4 16 B9R0.45 CCCCCCCCC=C 31213 [1,0,0,0,0,0|1,0,1]=3 17 B9R0.45 CCCCCCCCC=C L06800 [1,0,0,0,0,0|1,0,1]=3 18 B9R0.45 CCCCCCCCC=O A15908 [1,0,0,0,0,0|2,0,1]=4 19 B9R0.45 CCCCCCOCCO B22385 [1,0,0,0,0,0|1,0,2]=4 20 B9R0.45 CCCCC\C=C/CCO A17846 [1,0,0,0,0,0|2,0,1]=4 21 B11R0.46 CCCCOC(=O)CCC(=O)C H59274 [0,1,0,0,0,0|2,0,1]=4 22 B11R0.81 CCCCCCC(=O)CCCC B20336 [0,1,0,0,0,0|1,0,2]=4 23 B11R0.81 CCCCCCC(=O)OCC=C L10671 [0,1,0,0,0,0|0,0,0]=1 24 B11R1.28 C1C=CCC(=C1)CCCCO H36058 [0,0,0,1,0,0|3,0,0]=4 25 B11R1.28 CCCCCc1ccccc1 A15734 [0,0,0,1,0,0|2,0,1]=4 26 B11R1.28 CCCCCc1ccccn1 B22125 [0,0,0,1,0,0|2,0,1]=4 27 B11R1.28 CCCCCc1cnccn1 L03039 [0,0,0,1,0,0|3,0,0]=4 28 B8R0.1 CCCCC(=O)OCC A14854 [2,0,0,0,0,0|0,0,1]=3 29 B8R0.1 CCCCC(=O)\C=C\C B22250 [2,0,0,0,0,0|0,0,2]=4 30 B8R0.1 CCCCC(CC=C)O B20707 [2,0,0,0,0,0|0,0,2]=4 31 B8R0.1 CCOC(=O)CCC=C A12422 [2,0,0,0,0,0|2,0,0]=4 32 B8R0.1 CCOC(=O)CCCBr A13470 [2,0,0,0,0,0|1,0,1]=4 33 B8R0.1 CCOC(=O)CCCCl A11070 [2,0,0,0,0,0|1,0,1]=4 34 B8R0.1 CCOC(=O)CCCN L06863 [2,0,0,0,0,0|1,0,1]=4 35 B8R0.1 CCOC(=O)CCC[Zn+] H58023 [2,0,0,0,0,0|1,0,1]=4 36 B8R0.1 CCOC(=O)CCSC A11742 [2,0,0,0,0,0|1,0,1]=4 37 B8R0.1 C\C=C\C(=O)OCC=C L03414 [2,0,0,0,0,0|0,0,2]=4 38 B8R0.4 C=CCCCCCCBr H64830 [2,0,0,0,0,0|1,0,1]=4 39 B8R0.4 CCCCCCCC=O A10901 [2,0,0,0,0,0|1,0,1]=4 40 B8R0.4 CCCCCCOC=O L06226 [2,0,0,0,0,0|1,0,1]=4 41 B8R0.4 CCCCC\C=C\C=O A18830 [2,0,0,0,0,0|1,0,1]=4 42 B8R0.4 CCCCC\C=C\CO A15960 [2,0,0,0,0,0|2,0,0]=4 43 B8R0.6 CCCC#CC(=O)OC B23065 [2,0,0,0,0,0|0,0,2]=4 44 B8R0.6 CCCCCC(=O)C=C L07189 [2,0,0,0,0,0|0,0,0]=2 45 B8R0.6 CCCCCC(=O)CC A12113 [2,0,0,0,0,0|0,0,1]=3 46 B8R0.6 CCCCCC(=O)OC A10757 [2,0,0,0,0,0|0,0,0]=2 47 B8R0.6 CCCCCC(C=C)O A12079 [2,0,0,0,0,0|0,0,2]=4 48 B8R0.6 CCCCOC(=O)C=C L03476 [2,0,0,0,0,0|1,0,0]=3 49 B8R0.6 CCCCOC(=O)CC B20125 [2,0,0,0,0,0|1,0,1]=4 50 B8R0.6 CCC\C=C\C(=O)OC L08030 [2,0,0,0,0,0|0,0,2]=4 51 B8R0.6 COC(=O)CCCC#C H53370 [2,0,0,0,0,0|0,0,2]=4 52 B8R0.6 COC(=O)CCCCBr A19072 [2,0,0,0,0,0|1,0,0]=3 53 B8R0.6 COC(=O)CCCCCl B25408 [2,0,0,0,0,0|1,0,0]=3 54 B8R0.6 COC(=O)CCCSC L11000 [2,0,0,0,0,0|1,0,0]=3 55 B8R0.6 COCCOC(=O)C=C L11902 [2,0,0,0,0,0|2,0,0]=4 56 B10R0.1 CCCCC#CC(=O)OCC L02749 [1,1,0,0,0,0|0,0,2]=4 57 B10R0.1 CCCCCCC(=O)OCC A14729 [1,1,0,0,0,0|0,0,1]=3 58 B10R0.1 CCOC(=O)CCCCCBr A18398 [1,1,0,0,0,0|0,0,1]=3 59 B10R0.1 CCOC(=O)CCCCCN H50296 [1,1,0,0,0,0|0,0,1]=3 60 B10R0.1 CCOC(=O)CCCCC[Zn+] H58304 [1,1,0,0,0,0|0,0,1]=3 61 B10R0.2 CCCC(=O)CC(=O)OCC A12786 [1,1,0,0,0,0|0,0,2]=4 62 B10R0.2 CCCC(CC(=O)OCC)O A12060 [1,1,0,0,0,0|0,0,1]=3 63 B10R0.3 CCOC(=O)CCCC(=O)C L17848 [1,1,0,0,0,0|0,0,2]=4 64 B10R0.6 CCCCCC(=O)CC(=O)C L01151 [1,1,0,0,0,0|0,0,1]=3 65 B10R0.19 CCCCC(C(=O)OCC)Br B25273 [1,1,0,0,0,0|0,0,1]=3 66 B10R0.19 CCOC(=O)C(CCSC)N H25781 [1,1,0,0,0,0|1,0,1]=4 67 B10R0.19 CCOC(=O)[C@@H](CCSC)N H65461 [1,1,0,0,0,0|1,0,1]=4 68 B10R0.19 CCOC(=O)[C@H](CCSC)N B25055 [1,1,0,0,0,0|1,0,1]=4 69 B10R0.71 C=CCCCCCCCCO A19490 [1,1,0,0,0,0|1,0,1]=4 70 B10R0.71 CCCCCCCCCC=C H53387 [1,1,0,0,0,0|1,0,1]=4 71 B10R0.71 CCCCC\C=C/CCC=O L06382 [1,1,0,0,0,0|1,0,1]=4 72 B10R0.71 CCCCC\C=C\C=C\C=O L06103 [1,1,0,0,0,0|1,0,1]=4 73 B10R0.71 CCCCC\C=C\CCC=O L05715 [1,1,0,0,0,0|1,0,1]=4 74 B10R0.74 CCCCCCOC(=O)C=C L09905 [1,1,0,0,0,0|0,0,2]=4 75 B12R0.351 CCCCC(CC)C(=O)OCCC B20419 [0,2,0,0,0,0|0,0,2]=4 76 B12R0.47 CCCCCC(=O)OCCCSC H34393 [0,2,0,0,0,0|0,0,2]=4 77 B10R1.11 CCOC(=O)C1CCNC1 H57113 [1,0,0,1,0,0|1,0,1]=4 78 B10R1.11 CCOC(=O)[C@@H]1CCNC1 H57789 [1,0,0,1,0,0|1,0,1]=4 79 B10R1.11 CCOC(=O)[C@H]1CCCN1 H64910 [1,0,0,1,0,0|1,0,1]=4 80 B10R1.11 CCOC(=O)[C@H]1CCNC1 H57781 [1,0,0,1,0,0|1,0,1]=4 81 B10R1.19 C=CN1CCCCCC1=O B21311 [1,0,0,1,0,0|1,0,0]=3 82 B10R1.21 CCCCCc1ccco1 A11607 [1,0,0,1,0,0|1,0,0]=3 83 B10R1.21 CCCCCc1cccs1 B21885 [1,0,0,1,0,0|0,1,1]=4 84 B10R1.78 C1CCCC(=O)NCCC1 A18621 [1,0,0,1,0,0|1,0,1]=4 85 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1CO H62920 [1,0,0,1,0,0|1,0,1]=4 86 B10R1.377 C=CCC1(CCCCC1)O A19066 [1,0,0,1,0,0|0,0,2]=4 87 B10R1.17 C=CCOC1CCCCO1 H56114 [1,0,0,1,0,0|0,0,2]=4 88 B12R1.567 CCCCCC1=C(CCC1=O)C A19298 [0,1,0,1,0,0|1,0,1]=4 89 B12R1.35 CCCCCC(=O)c1ccco1 B22306 [0,1,0,1,0,0|0,0,1]=3