0 B7R0.11 C=CCC(C)(C)C=O 22726 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCC(C)CCO 35939 [1,0,0,0,0,0|3,0,0]=4 2 B6R0.1 COC(C)CCO 35942 [1,0,0,0,0,0|2,0,0]=3 3 B6R0.1 [C-]#[N+]CC(=O)OC 36045 [1,0,0,0,0,0|1,0,1]=3 4 B6R0.5 C=CC[Si](C)(C)C 13670 [1,0,0,0,0,0|1,1,1]=4 5 B6R0.5 CC(C)(C)CC=O 3076 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.5 CC(C)(C)CCO 3096 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.5 C[N+](C)(C)CCO 26426 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.5 C[Si](C)(C)CCO 2617 [1,0,0,0,0,0|2,1,0]=4 9 B6R0.8 CC(C)(CO)CO 22258 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.8 CNC(C)(C)CO 35872 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.8 COC(C)(C)OC 9768 [1,0,0,0,0,0|1,0,1]=3 12 B8R1.51 CC1(C)OCC(=O)O1 21008 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.72 CC1(C)CCCNC1 10316 [0,0,0,1,0,0|1,0,2]=4 14 B8R1.72 CC1(C)CCNCC1 36087 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.72 CC1(C)CCNCC1 8038 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.72 CC1(C)CNCCN1 17283 [0,0,0,1,0,0|1,0,2]=4 17 B5R0.1 C#CCC(C)O 26123 [2,0,0,0,0,0|1,0,1]=4 18 B5R0.1 CC(C)CCI 3950 [2,0,0,0,0,0|2,0,0]=4 19 B5R0.1 CC(C)CNN 18739 [2,0,0,0,0,0|1,0,1]=4 20 B5R0.1 CCC[C@@H](C)O 6721 [2,0,0,0,0,0|1,0,1]=4 21 B5R0.1 CCC[C@H](C)O 6719 [2,0,0,0,0,0|1,0,1]=4 22 B5R0.1 COCC(C)O 1904 [2,0,0,0,0,0|1,0,1]=4 23 B5R0.1 COC[C@@H](C)O 6714 [2,0,0,0,0,0|1,0,1]=4 24 B5R0.1 COC[C@H](C)O 6715 [2,0,0,0,0,0|1,0,1]=4 25 B5R0.1 C[C@@H](O)CCO 6724 [2,0,0,0,0,0|2,0,0]=4 26 B5R0.1 C[C@H](O)CCO 6722 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.2 COCCC#N 24839 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.2 COCCC=O 24309 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.2 COCCCBr 11240 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.2 COCCCCl 18632 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.2 COCCCN 16804 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.2 COCCCO 1936 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.2 COCCOC 18652 [2,0,0,0,0,0|1,0,1]=4 34 B5R0.3 CC[C@H](C)CN 16256 [2,0,0,0,0,0|1,0,1]=4 35 B5R0.3 CO[C@@H](C)CN 17733 [2,0,0,0,0,0|0,0,1]=3 36 B5R0.3 CO[C@@H](C)CN 17747 [2,0,0,0,0,0|0,0,1]=3 37 B5R0.3 CO[C@@H](C)CO 26646 [2,0,0,0,0,0|1,0,0]=3 38 B5R0.3 CO[C@H](C)CN 17734 [2,0,0,0,0,0|0,0,1]=3 39 B5R0.3 CO[C@H](C)CN 17748 [2,0,0,0,0,0|0,0,1]=3 40 B5R0.4 C#CC(C)(C)C 12530 [2,0,0,0,0,0|0,0,2]=4 41 B5R0.4 C=CC(C)(C)O 36012 [2,0,0,0,0,0|0,0,2]=4 42 B5R0.4 CC(C)(C)C#N 29032 [2,0,0,0,0,0|0,0,2]=4 43 B5R0.4 CC(C)(C)C=O 1910 [2,0,0,0,0,0|1,0,1]=4 44 B5R0.4 CC(C)(C)CN 28998 [2,0,0,0,0,0|0,0,1]=3 45 B5R0.4 CC(C)(C)N=O 45117 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.4 CC(C)(C)NN 35993 [2,0,0,0,0,0|1,0,1]=4 47 B5R0.4 CC(C)(C)ON 19621 [2,0,0,0,0,0|1,0,0]=3 48 B5R0.4 CC(C)(N)CN 28209 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.4 CC(C)(N)CO 2208 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.4 CC(C)(O)CCl 3675 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.4 CC(C)(O)CN 32121 [2,0,0,0,0,0|0,0,1]=3 52 B5R0.4 CC(C)(S)CN 28945 [2,0,0,0,0,0|0,1,1]=4 53 B5R0.4 CCC(C)(C)O 21405 [2,0,0,0,0,0|0,0,1]=3 54 B5R0.4 C[Si](C)(C)CBr 13669 [2,0,0,0,0,0|1,1,0]=4 55 B5R0.4 C[Si](C)(C)CCl 13668 [2,0,0,0,0,0|1,1,0]=4 56 B5R0.4 [Li]C[Si](C)(C)C 18144 [2,0,0,0,0,0|1,1,0]=4 57 B7R0.7 [C-]#[N+]CC(=O)OCC 2345 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.12 CNCC(OC)OC 23368 [1,1,0,0,0,0|0,0,2]=4 59 B7R0.12 COCC(OC)OC 12773 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.9 CC(C)(C)CB(O)O 29491 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.9 CC(C)(C)CC(=O)Cl 2093 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.9 CC(C)(O)CC(=O)O 6288 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.9 CC(O)CC(C)(C)O 35284 [1,1,0,0,0,0|1,0,1]=4 64 B9R0.62 CCCC(OC)(OC)OC 21070 [0,2,0,0,0,0|1,0,1]=4 65 B9R0.62 COC(CC#N)(OC)OC 32062 [0,2,0,0,0,0|2,0,0]=4 66 B7R1.1 COC1CCNC1 19858 [1,0,0,1,0,0|0,0,2]=4 67 B7R1.1 CO[C@@H]1CCNC1 14802 [1,0,0,1,0,0|0,0,2]=4 68 B7R1.1 CO[C@H]1CCNC1 14801 [1,0,0,1,0,0|0,0,2]=4 69 B7R1.3 CC1CNCCO1 14222 [1,0,0,1,0,0|0,0,2]=4 70 B7R1.3 C[C@@H]1CNCCO1 15013 [1,0,0,1,0,0|0,0,2]=4 71 B7R1.3 C[C@@H]1CNCCO1 17029 [1,0,0,1,0,0|0,0,2]=4 72 B7R1.3 C[C@H]1CNCCO1 11359 [1,0,0,1,0,0|0,0,2]=4 73 B7R1.3 C[C@H]1CNCCO1 17028 [1,0,0,1,0,0|0,0,2]=4 74 B7R1.25 COC1(C)CNC1 31879 [1,0,0,1,0,0|0,0,2]=4 75 B7R1.14 CC1(O)CCCC1 29357 [1,0,0,1,0,0|1,0,1]=4 76 B9R1.118 COC1(C)CCNCC1 17539 [0,1,0,1,0,0|0,0,2]=4 77 B9R1.118 COC1(C)CCNCC1 23912 [0,1,0,1,0,0|0,0,2]=4 78 B9R1.133 CC1(C)OCC(CCl)O1 21973 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.133 CC1(C)OCC(CO)O1 21305 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.133 CC1(C)OC[C@@H](CCl)O1 14076 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.133 CC1(C)OC[C@H](C=O)O1 5767 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.133 CC1(C)OC[C@H](CCl)O1 14074 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.66 CC1(C)CC(=O)CCO1 24423 [0,1,0,1,0,0|1,0,1]=4 84 B9R1.134 CC1(CC=O)OCCO1 23935 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.134 CC1(CCN)OCCO1 18902 [0,1,0,1,0,0|2,0,0]=4