0 B10R0.2 CCCC(=O)CC(=O)OCC A12786 [0,0,0,0,0,0|1,0,0]=1 1 B10R0.2 CCCC(=O)OC(=O)CCC A12377 [0,0,0,0,0,0|3,0,0]=3 2 B10R0.2 CCCC(CC(=O)OCC)O A12060 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.2 CCOC(=O)CC(=O)OCC A15468 [0,0,0,0,0,0|0,0,0]=0 4 B10R0.2 CCOC(=O)OC(=O)OCC B22753 [0,0,0,0,0,0|1,0,0]=1 5 B10R0.2 CCO\C(=C\C(=O)OCC)\C A11097 [0,0,0,0,0,0|1,0,1]=2 6 B9R0.5 CCCC#CC(=O)OCC L05237 [1,0,0,0,0,0|1,0,2]=4 7 B9R0.5 CCCCCC(=O)CCC A15050 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.5 CCCCCC(=O)OCC A13985 [1,0,0,0,0,0|1,0,1]=3 9 B9R0.5 CCC\C=C\C(=O)OCC A15136 [1,0,0,0,0,0|1,0,1]=3 10 B9R0.5 CCOC(=O)CCCCBr A11952 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.5 CCOC(=O)CCCCN H51682 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.5 CCOC(=O)CCCC[Zn+] H58248 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.5 CCOC(=O)\C=C\C=C\C A11431 [1,0,0,0,0,0|1,0,2]=4 14 B9R0.5 CCOCCC(=O)OCC B24024 [1,0,0,0,0,0|0,0,1]=2 15 B9R0.5 CCO\C=C\C(=O)OCC H59187 [1,0,0,0,0,0|0,0,1]=2 16 B9R0.5 CC\C=C\CC(=O)OCC A19734 [1,0,0,0,0,0|1,0,0]=2 17 B9R0.34 CCC(=O)CC(=O)OCC A15464 [1,0,0,0,0,0|0,0,0]=1 18 B9R0.34 CCC(C)CC(=O)OCC A18868 [1,0,0,0,0,0|1,0,1]=3 19 B9R0.34 CCCC(=O)CC(=O)OC L09826 [1,0,0,0,0,0|1,0,0]=2 20 B9R0.34 CCOC(=O)CC(=O)CCl A15641 [1,0,0,0,0,0|1,0,0]=2 21 B9R0.34 CCOC(=O)C[C@@H](CCl)O L18554 [1,0,0,0,0,0|1,0,2]=4 22 B9R0.34 CCOC(=O)C[C@H](CCl)O L18553 [1,0,0,0,0,0|1,0,2]=4 23 B11R0.177 CCOC(=O)C(=O)C(=O)OCC A12771 [0,1,0,0,0,0|0,0,1]=2 24 B11R0.177 CCOC(=O)C(C(=O)OCC)Br A10965 [0,1,0,0,0,0|0,0,0]=1 25 B11R0.177 CCOC(=O)C(C(=O)OCC)F B20766 [0,1,0,0,0,0|0,0,0]=1 26 B11R0.177 CCOC(=O)C(C(=O)OCC)N A13681 [0,1,0,0,0,0|0,0,0]=1 27 B11R0.177 CCOC(=O)C(C)C(=O)OCC A12078 [0,1,0,0,0,0|0,0,0]=1 28 B11R0.182 CCO\C(=C\C(=O)OCC)\CBr L06849 [0,1,0,0,0,0|1,0,1]=3 29 B11R1.199 CCOC(=O)C1CCCC1=O L04528 [0,0,0,1,0,0|1,0,0]=2 30 B11R1.199 CCOC(=O)C1CCNC1=O H57906 [0,0,0,1,0,0|1,0,0]=2 31 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O H59308 [0,0,0,1,0,0|1,0,2]=4 32 B11R1.334 CCOC(=O)CC(=O)C1CC1 H33756 [0,0,0,1,0,0|1,0,0]=2 33 B9R0.35 CCCC(C(=O)OCC)Br B25530 [0,0,0,0,1,0|2,0,1]=4 34 B9R0.35 CCCC(C)C(=O)OCC A19058 [0,0,0,0,1,0|2,0,1]=4 35 B9R0.35 CCNC(=O)C(=O)NCC B24167 [0,0,0,0,1,0|2,0,0]=3 36 B9R0.35 CCOC(=O)C(=O)OCC A14498 [0,0,0,0,1,0|0,0,0]=1 37 B11R0.62 CCOC(=O)C#CC(=O)OCC A11719 [0,0,0,0,0,1|0,0,1]=2 38 B11R0.62 CCOC(=O)CCC(=O)OCC A15777 [0,0,0,0,0,1|0,0,0]=1 39 B11R0.62 CCOC(=O)\C=C/C(=O)OCC L03876 [0,0,0,0,0,1|0,0,1]=2 40 B11R0.62 CCOC(=O)\C=C\C(=O)OCC A16214 [0,0,0,0,0,1|0,0,1]=2 41 B11R0.62 CCOC(=O)\N=N\C(=O)OCC L19348 [0,0,0,0,0,1|1,0,0]=2 42 B8R0.1 CCC#CC(=O)OCC L02703 [2,0,0,0,0,0|0,0,2]=4 43 B8R0.1 CCCCC(=O)OCC A14854 [2,0,0,0,0,0|0,0,1]=3 44 B8R0.1 CCOC(=O)CCCBr A13470 [2,0,0,0,0,0|1,0,1]=4 45 B8R0.1 CCOC(=O)CCCCl A11070 [2,0,0,0,0,0|1,0,1]=4 46 B8R0.1 CCOC(=O)CCCN L06863 [2,0,0,0,0,0|1,0,1]=4 47 B8R0.1 CCOC(=O)CCC[Zn+] H58023 [2,0,0,0,0,0|1,0,1]=4 48 B8R0.1 CCOC(=O)CCSC A11742 [2,0,0,0,0,0|0,1,1]=4 49 B8R0.1 CCOC(=O)\C=C\CBr A10371 [2,0,0,0,0,0|1,0,1]=4 50 B8R0.6 CCCCCC(=O)CC A12113 [2,0,0,0,0,0|1,0,1]=4 51 B8R0.6 CCCCCC(=O)OC A10757 [2,0,0,0,0,0|1,0,1]=4 52 B8R0.6 CCC\C=C\C(=O)OC L08030 [2,0,0,0,0,0|1,0,1]=4 53 B8R0.5 CCOC(=O)CC(=N)N H64288 [2,0,0,0,0,0|2,0,0]=4 54 B8R0.5 CCOC(=O)CC(=O)C A12544 [2,0,0,0,0,0|0,0,0]=2 55 B8R0.5 CCOC(=O)CC(=O)O 44692 [2,0,0,0,0,0|0,0,0]=2 56 B8R0.5 CCOC(=O)CC(=O)O A12627 [2,0,0,0,0,0|0,0,0]=2 57 B8R0.5 CCOC(=O)CC(=O)[O-] A10720 [2,0,0,0,0,0|0,0,1]=3 58 B8R0.5 CCOC(=O)CC(C)C A10292 [2,0,0,0,0,0|1,0,1]=4 59 B8R0.5 CCOC(=O)CC(C)O B21521 [2,0,0,0,0,0|0,0,2]=4 60 B8R0.5 CCOC(=O)C[N+](=O)[O-] A14433 [2,0,0,0,0,0|1,0,1]=4 61 B8R0.5 CCOC(=O)C[S+](C)C L00266 [2,0,0,0,0,0|2,0,0]=4 62 B8R0.5 CCOC(=O)\C=C(\C)/N A12991 [2,0,0,0,0,0|1,0,1]=4 63 B8R0.19 CCC(=O)CC(=O)CC A18165 [2,0,0,0,0,0|0,0,0]=2 64 B8R0.19 CCC(=O)CC(=O)OC B24848 [2,0,0,0,0,0|0,0,0]=2 65 B8R0.19 CCC(=O)OC(=O)CC A12955 [2,0,0,0,0,0|1,0,0]=3 66 B8R0.19 COC(=O)CC(=O)CCl H64709 [2,0,0,0,0,0|1,0,0]=3 67 B8R0.19 COC(=O)CC(=O)OC A11007 [2,0,0,0,0,0|0,0,0]=2 68 B10R0.1 CCCCCCC(=O)OCC A14729 [1,1,0,0,0,0|1,0,1]=4 69 B10R0.1 CCOC(=O)CCCCCBr A18398 [1,1,0,0,0,0|1,0,1]=4 70 B10R0.1 CCOC(=O)CCCCCN H50296 [1,1,0,0,0,0|1,0,1]=4 71 B10R0.1 CCOC(=O)CCCCC[Zn+] H58304 [1,1,0,0,0,0|1,0,1]=4 72 B10R0.19 CCCCC(C(=O)OCC)Br B25273 [1,1,0,0,0,0|1,0,1]=4 73 B10R0.91 CCCCCC(=O)OCCC B25215 [1,1,0,0,0,0|1,0,1]=4 74 B10R0.26 CCOC(=O)CC(=O)C(C)C L09016 [1,1,0,0,0,0|0,0,0]=2 75 B10R0.26 CCOC(=O)CC(=O)C(F)F H31922 [1,1,0,0,0,0|1,0,0]=3 76 B10R0.35 CC[C@H](C)[C@@H](C(=O)OCC)N H64640 [1,1,0,0,0,0|1,0,1]=4 77 B10R0.32 CCOC(=O)C(=O)CC(=O)C A13808 [0,1,0,0,1,0|1,0,1]=4 78 B12R0.69 CCCC(=O)CC(=O)C(=O)OCC H31027 [0,1,0,0,0,1|1,0,0]=3 79 B12R0.69 CCOC(=O)C[C@@H](C(=O)OCC)N H63974 [0,1,0,0,0,1|0,0,0]=2 80 B12R0.78 CCOC(=O)CC(=O)OC(C)(C)C A11927 [0,2,0,0,0,0|0,0,0]=2 81 B12R0.8 CCC(C(=O)OCC)C(=O)OCC B24077 [0,2,0,0,0,0|0,0,0]=2 82 B12R0.8 CCOC(=O)C(=CC)C(=O)OCC L12117 [0,2,0,0,0,0|0,0,1]=3 83 B12R0.8 CCOC(=O)C(=CN)C(=O)OCC L15511 [0,2,0,0,0,0|0,0,1]=3 84 B12R0.8 CCO\C(=C(/C#N)\C(=O)OCC)\C H27244 [0,2,0,0,0,0|1,0,1]=4 85 B12R0.731 CCOC(=O)C(C(=O)OCC)(Br)Br A11508 [0,2,0,0,0,0|0,0,0]=2 86 B12R0.731 CCOC(=O)C(C(=O)OCC)(F)F L16042 [0,2,0,0,0,0|0,0,0]=2 87 B12R0.731 CCOC(=O)C(C)(C(=O)OCC)Br L00575 [0,2,0,0,0,0|0,0,0]=2 88 B12R0.22 CCOC(CC(=O)OCC)OCC L09562 [0,2,0,0,0,0|0,0,2]=4 89 B10R1.10 CCOC1=CC(=O)CCC1 A14224 [1,0,0,1,0,0|1,0,1]=4 90 B10R1.11 CCOC(=O)C1CCNC1 H57113 [1,0,0,1,0,0|1,0,1]=4 91 B10R1.11 CCOC(=O)[C@@H]1CCNC1 H57789 [1,0,0,1,0,0|1,0,1]=4 92 B10R1.11 CCOC(=O)[C@H]1CCCN1 H64910 [1,0,0,1,0,0|2,0,0]=4 93 B10R1.11 CCOC(=O)[C@H]1CCNC1 H57781 [1,0,0,1,0,0|1,0,1]=4 94 B10R1.149 COC(=O)C1C(=O)CCS1 43634 [1,0,0,1,0,0|2,0,0]=4 95 B10R1.149 COC(=O)C1CCCC1=O B25256 [1,0,0,1,0,0|1,0,0]=3 96 B10R1.2 CCN1CCNC(=O)C1=O A18248 [0,0,0,1,1,0|2,0,0]=4 97 B12R1.318 CCOC(=O)CC1CCCC1=O H61589 [0,0,0,1,0,1|1,0,0]=3 98 B12R1.308 CCOC(=O)C1CCCCC1=O H59495 [0,1,0,1,0,0|1,0,0]=3 99 B12R1.308 CCOC(=O)C1CNCCC1=O A12131 [0,1,0,1,0,0|1,0,0]=3 100 B8R0.3 CCC(=O)C(=O)OCC H66476 [1,0,0,0,1,0|0,0,0]=2 101 B8R0.3 CCC(C(=O)OCC)Br A12729 [1,0,0,0,1,0|1,0,1]=4 102 B8R0.3 CCC(C)C(=O)OCC L06743 [1,0,0,0,1,0|1,0,1]=4 103 B8R0.3 CCOC(=O)C(=C)CBr H65384 [1,0,0,0,1,0|2,0,0]=4 104 B8R0.3 CCOC(=O)C(=O)CBr L00582 [1,0,0,0,1,0|1,0,0]=3 105 B8R0.3 CCOC(=O)\C(=C\C)\C A12029 [1,0,0,0,1,0|1,0,1]=4 106 B12R0.285 CCOC(=O)CCCC(=O)OCC L11259 [0,0,0,0,0,2|0,0,0]=2 107 B12R0.285 CCOC(=O)CNCC(=O)OCC H60608 [0,0,0,0,0,2|0,0,0]=2 108 B12R0.285 CCOC(=O)NCNC(=O)OCC L00318 [0,0,0,0,0,2|0,0,0]=2