0 B7R0.11 CC(C)(CCO)OC L15953 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.11 CCC(C)(CC=C)O B20447 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.11 CCCC(C)(CC)Cl B20277 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.11 CCCC(C)(CC)O L04625 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CC(CC=O)SC B22033 [1,0,0,0,0,0|2,1,0]=4 5 B6R0.1 CCC(C)CCO B22356 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.1 COC(=O)C[N+]#[C-] H31069 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.5 CC#CC(C)(C)C L10210 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.5 CC(C)(C)CC=O H55522 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.5 CC(C)(C)CCCl L11753 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.5 CC(C)(C)CCO H30194 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.5 CC(C)(C)N=C=O L13371 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.5 CC(C)(C)N=C=S L02668 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.5 CC(C)(C)OC=C H30770 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.5 CC(C)(C)OC=O H55838 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.5 CC(C)(C)ON=O L16135 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.5 CC(C)(CCBr)Br B20468 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.5 CC(C)(COC)O L20351 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.5 CC(C)(COC)[O-] 45488 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.5 CCCC(C)(C)Cl B20705 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.5 CCCC(C)(C)O A19090 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.5 CCOC(C)(C)C B22945 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.5 C[N+](C)(C)CCCl A15630 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.5 C[N+](C)(C)CCO A15828 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.5 C[N+](C)(C)CCO B24443 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.5 C[N+](C)(C)CCO H27609 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.5 C[N+](C)(C)CCO L00860 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.5 C[Si](C)(C)CC=C A14662 [1,0,0,0,0,0|1,1,1]=4 28 B6R0.5 C[Si](C)(C)CCO B20970 [1,0,0,0,0,0|2,1,0]=4 29 B6R0.8 CC(C)(CN)CO L10429 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.8 CC(C)(CO)CO A10340 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.8 CC(C)(OC)OC A13810 [1,0,0,0,0,0|1,0,1]=3 32 B6R0.8 CCC(C)(C)CC 43706 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.8 CO[Si](C)(C)OC A12025 [1,0,0,0,0,0|1,1,1]=4 34 B8R0.34 CC(=O)CC(C)(C)OC B21076 [0,1,0,0,0,0|1,0,1]=3 35 B8R0.34 CC(=O)CC(C)(C)SC B22058 [0,1,0,0,0,0|1,1,1]=4 36 B8R0.34 CC(CC(C)(C)OC)O B25078 [0,1,0,0,0,0|1,0,1]=3 37 B8R1.51 CC1COC(O1)(C)C B21823 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.72 CC1(CCCNC1)C H25753 [0,0,0,1,0,0|1,0,2]=4 39 B5R0.1 CC(C)CC#C L05537 [2,0,0,0,0,0|1,0,1]=4 40 B5R0.1 CC(C)CC=C 33029 [2,0,0,0,0,0|1,0,1]=4 41 B5R0.1 CC(C)CC=C L03372 [2,0,0,0,0,0|1,0,1]=4 42 B5R0.1 CC(C)CC=O A19640 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 CC(C)CCBr A14492 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 CC(C)CCCl L11371 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.1 CC(C)CCI L05194 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.1 CC(C)CCN L02260 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.1 CC(C)CCO 36716 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.1 CC(C)CCO L13660 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.1 CC(C)CCS L09661 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.1 CC(C)CC[Zn+] H58436 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.1 CC(C)CNC 42947 [2,0,0,0,0,0|0,0,2]=4 52 B5R0.1 CC(C)CNN H64287 [2,0,0,0,0,0|1,0,1]=4 53 B5R0.1 CC(CC#C)O L02752 [2,0,0,0,0,0|1,0,1]=4 54 B5R0.1 CC(CC=C)O B20208 [2,0,0,0,0,0|1,0,1]=4 55 B5R0.1 CC(CCO)O A11684 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 CC(COC)O 41547 [2,0,0,0,0,0|1,0,1]=4 57 B5R0.1 CC(COC)O L12694 [2,0,0,0,0,0|1,0,1]=4 58 B5R0.1 CCCC(C)C L03001 [2,0,0,0,0,0|1,0,1]=4 59 B5R0.1 CCCC(C)O B21217 [2,0,0,0,0,0|1,0,1]=4 60 B5R0.1 CCC[C@H](C)O L09314 [2,0,0,0,0,0|1,0,1]=4 61 B5R0.1 C[C@@H](CC=C)O B25728 [2,0,0,0,0,0|1,0,1]=4 62 B5R0.1 C[C@H](CC=C)O B25659 [2,0,0,0,0,0|1,0,1]=4 63 B5R0.1 C[C@H](CCO)O B25124 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.2 COCCC#N L07055 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.2 COCCCN B24095 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.2 COCCOC 45659 [2,0,0,0,0,0|1,0,1]=4 67 B5R0.2 COCCOC A12986 [2,0,0,0,0,0|1,0,1]=4 68 B5R0.3 CC(OC)OC A10939 [2,0,0,0,0,0|1,0,1]=4 69 B5R0.3 CCC(C)CBr H27078 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.3 CCC(C)CC L03133 [2,0,0,0,0,0|1,0,1]=4 71 B5R0.3 CCC(C)CO B21825 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.3 CCC(C)CS B21949 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.3 CCC(C)NC H27547 [2,0,0,0,0,0|1,0,1]=4 74 B5R0.3 CCC(C)OC H53427 [2,0,0,0,0,0|0,0,1]=3 75 B5R0.3 CCC(C)SC B21942 [2,0,0,0,0,0|0,1,1]=4 76 B5R0.3 CC[C@H](C)CN L14063 [2,0,0,0,0,0|1,0,1]=4 77 B5R0.4 CC(C)(C#C)O L07593 [2,0,0,0,0,0|0,0,2]=4 78 B5R0.4 CC(C)(C)C#C A14013 [2,0,0,0,0,0|0,0,2]=4 79 B5R0.4 CC(C)(C)C#N A12011 [2,0,0,0,0,0|0,0,2]=4 80 B5R0.4 CC(C)(C)C=C L08693 [2,0,0,0,0,0|0,0,2]=4 81 B5R0.4 CC(C)(C)C=O A15013 [2,0,0,0,0,0|1,0,1]=4 82 B5R0.4 CC(C)(C)C=O B21393 [2,0,0,0,0,0|1,0,1]=4 83 B5R0.4 CC(C)(C)CBr L03579 [2,0,0,0,0,0|1,0,0]=3 84 B5R0.4 CC(C)(C)CCl L02365 [2,0,0,0,0,0|1,0,0]=3 85 B5R0.4 CC(C)(C)CO A14390 [2,0,0,0,0,0|1,0,0]=3 86 B5R0.4 CC(C)(C)C[Mg+] H54879 [2,0,0,0,0,0|1,0,0]=3 87 B5R0.4 CC(C)(C)NC H27242 [2,0,0,0,0,0|1,0,0]=3 88 B5R0.4 CC(C)(C)NN B23876 [2,0,0,0,0,0|1,0,1]=4 89 B5R0.4 CC(C)(C)OC 40477 [2,0,0,0,0,0|0,0,0]=2 90 B5R0.4 CC(C)(C)OC 41839 [2,0,0,0,0,0|0,0,0]=2 91 B5R0.4 CC(C)(C)OC L14030 [2,0,0,0,0,0|0,0,0]=2 92 B5R0.4 CC(C)(C)OO A13926 [2,0,0,0,0,0|1,0,0]=3 93 B5R0.4 CC(C)(C)SC B22390 [2,0,0,0,0,0|0,1,0]=3 94 B5R0.4 CC(C)(C)[N+]#[C-] L19747 [2,0,0,0,0,0|0,0,0]=2 95 B5R0.4 CC(C)(C=C)O B20790 [2,0,0,0,0,0|0,0,2]=4 96 B5R0.4 CC(C)(CCl)Br A19974 [2,0,0,0,0,0|2,0,0]=4 97 B5R0.4 CC(C)(CCl)O A18978 [2,0,0,0,0,0|1,0,0]=3 98 B5R0.4 CC(C)(CO)N A17814 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.4 CCC(C)(C)C L03295 [2,0,0,0,0,0|0,0,1]=3 100 B5R0.4 CCC(C)(C)Cl A11703 [2,0,0,0,0,0|1,0,1]=4 101 B5R0.4 CCC(C)(C)N B24639 [2,0,0,0,0,0|1,0,1]=4 102 B5R0.4 CCC(C)(C)O A18304 [2,0,0,0,0,0|0,0,1]=3 103 B5R0.4 CCC(C)(C)[Mg+] H54824 [2,0,0,0,0,0|1,0,1]=4 104 B5R0.4 CCC(C)(C)[O-] 36562 [2,0,0,0,0,0|0,0,2]=4 105 B5R0.4 CCC(C)(C)[O-] 41203 [2,0,0,0,0,0|0,0,2]=4 106 B5R0.4 CCC(C)(C)[O-] 41394 [2,0,0,0,0,0|0,0,2]=4 107 B5R0.4 CCC(C)(C)[O-] L15111 [2,0,0,0,0,0|0,0,2]=4 108 B5R0.4 CCC(C)(C)[O-] L15112 [2,0,0,0,0,0|0,0,2]=4 109 B5R0.4 CCC(C)(C)[Zn+] H58312 [2,0,0,0,0,0|1,0,1]=4 110 B5R0.4 CO[Si](C)(C)C 42464 [2,0,0,0,0,0|0,1,0]=3 111 B5R0.4 C[N+](C)(C)CI A18424 [2,0,0,0,0,0|2,0,0]=4 112 B5R0.4 C[Si](C)(C)CCl A14303 [2,0,0,0,0,0|1,1,0]=4 113 B5R0.4 C[Si](C)(C)CI A15120 [2,0,0,0,0,0|1,1,0]=4 114 B5R0.4 C[Si](C)(C)CO L04251 [2,0,0,0,0,0|1,1,0]=4 115 B5R0.4 C[Si](C)(C)C[Mg+] H54635 [2,0,0,0,0,0|1,1,0]=4 116 B7R0.7 CCOC(=O)C[N+]#[C-] L15379 [1,1,0,0,0,0|1,0,1]=4 117 B7R0.12 CNCC(OC)OC L02391 [1,1,0,0,0,0|0,0,2]=4 118 B7R0.12 COC(CCBr)OC L20150 [1,1,0,0,0,0|2,0,0]=4 119 B7R0.12 COC(CSC)OC B22667 [1,1,0,0,0,0|1,0,1]=4 120 B7R0.8 CC(C)(C)OCC#C H53480 [1,1,0,0,0,0|1,0,1]=4 121 B7R0.8 CCCCC(C)(C)C 41895 [1,1,0,0,0,0|1,0,1]=4 122 B7R0.9 CC(=C)CC(C)(C)C B20187 [1,1,0,0,0,0|1,0,1]=4 123 B7R0.9 CC(=C)CC(C)(C)O B20605 [1,1,0,0,0,0|1,0,1]=4 124 B7R0.9 CC(=O)CC(C)(C)O A16248 [1,1,0,0,0,0|1,0,1]=4 125 B7R0.9 CC(C)(C)CC(=O)Cl A10162 [1,1,0,0,0,0|2,0,0]=4 126 B7R0.9 CC(C)(C)CC(=O)O B21660 [1,1,0,0,0,0|2,0,0]=4 127 B7R0.9 CC(C)(CC(=O)O)O 42722 [1,1,0,0,0,0|2,0,0]=4 128 B7R0.9 CC(C)(CC(=O)[O-])O 42721 [1,1,0,0,0,0|2,0,0]=4 129 B7R0.9 CC(C)CC(C)(C)C 22901 [1,1,0,0,0,0|1,0,1]=4 130 B7R0.9 CC(C)CC(C)(C)C 31787 [1,1,0,0,0,0|1,0,1]=4 131 B7R0.9 CC(C)CC(C)(C)C 41904 [1,1,0,0,0,0|1,0,1]=4 132 B7R0.9 CC(C)CC(C)(C)C A19756 [1,1,0,0,0,0|1,0,1]=4 133 B7R0.9 CC(C)CC(C)(C)O L08795 [1,1,0,0,0,0|1,0,1]=4 134 B7R0.9 CC(CC(C)(C)O)O L03187 [1,1,0,0,0,0|1,0,1]=4 135 B7R0.9 C[C@H](CC(C)(C)O)O L14523 [1,1,0,0,0,0|1,0,1]=4 136 B7R0.14 CC(C)(C)C(CO)O L07616 [1,1,0,0,0,0|2,0,0]=4 137 B7R0.14 CCC(C(C)(C)C)O L11545 [1,1,0,0,0,0|1,0,1]=4 138 B7R0.18 CC(C=O)(OC)OC B24988 [1,1,0,0,0,0|1,0,1]=4 139 B7R0.18 CC(CBr)(OC)OC A11139 [1,1,0,0,0,0|1,0,0]=3 140 B7R0.18 CC(OC)(OC)OC L13369 [1,1,0,0,0,0|1,0,1]=4 141 B7R1.1 COC1CCCC1 H27349 [1,0,0,1,0,0|1,0,1]=4 142 B7R1.14 CC1(CCCC1)O B24744 [1,0,0,1,0,0|1,0,1]=4 143 B7R1.26 CC(C)(C)C1CO1 L06951 [1,0,0,1,0,0|1,0,1]=4 144 B9R1.10 CC1(OCC(=O)CO1)C L20177 [0,1,0,1,0,0|2,0,0]=4 145 B9R1.133 CC1(OCC(O1)CO)C L02814 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.133 CC1(OC[C@@H](O1)CCl)C L18559 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.133 CC1(OC[C@@H](O1)CO)C B24488 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.133 CC1(OC[C@H](O1)CCl)C L18560 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.133 CC1(OC[C@H](O1)CO)C B23037 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.66 CC1(CC(=O)CCO1)C H27774 [0,1,0,1,0,0|1,0,1]=4 151 B9R2.173 C1CNCC12CCO2 H57452 [0,0,0,2,0,0|0,0,2]=4