0 B7R0.11 CC(C)(CO)CC#N 3664508 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.11 COCC(C)(C)C#N 2204697 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.11 COCC(C)(C)CN 2204731 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.5 CC(C)(C)CCBr 2823818 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.5 CC(C)(C)CCCl 2826144 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.5 CC(C)(C)CCO 2204684 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.5 CC(C)(N)CON 5246700 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.5 CNCC(C)(C)C 1778570 [1,0,0,0,0,0|0,0,2]=3 8 B6R0.8 CC(C)(C#N)CN 3664010 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.8 CC(C)(CN)CO 2204690 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.8 CC(C)(CO)CO 1972924 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.8 COC(C)(C)OC 2816863 [1,0,0,0,0,0|1,0,1]=3 12 B8R1.51 CC1(C)CCC(=O)C1 5728759 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.51 CC1(C)CCC(N)C1 5728761 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.72 CC1(C)COCCN1 7020690066 [0,0,0,1,0,0|2,0,1]=4 15 B5R0.1 CC(C)CC=O 2825368 [2,0,0,0,0,0|2,0,0]=4 16 B5R0.1 CC(C)CCBr 2829190 [2,0,0,0,0,0|2,0,0]=4 17 B5R0.1 CC(C)CCCl 2825683 [2,0,0,0,0,0|2,0,0]=4 18 B5R0.1 CC(C)CCN 22430471 [2,0,0,0,0,0|2,0,0]=4 19 B5R0.1 CC(C)CCN 2825383 [2,0,0,0,0,0|2,0,0]=4 20 B5R0.1 CC(C)CCO 2825400 [2,0,0,0,0,0|2,0,0]=4 21 B5R0.1 CC(O)CNN 2630835 [2,0,0,0,0,0|1,0,1]=4 22 B5R0.1 CNCC(C)O 1366510 [2,0,0,0,0,0|0,0,2]=4 23 B5R0.1 COCC(C)O 2816677 [2,0,0,0,0,0|1,0,1]=4 24 B5R0.2 COCCC#N 2816624 [2,0,0,0,0,0|2,0,0]=4 25 B5R0.2 COCCCN 1147289 [2,0,0,0,0,0|2,0,0]=4 26 B5R0.2 COCCCO 2422039 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.2 COCCOC 2825428 [2,0,0,0,0,0|1,0,1]=4 28 B5R0.3 CCC(C)CO 2816664 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.4 CC(C)(C)C#N 2816615 [2,0,0,0,0,0|0,0,2]=4 30 B5R0.4 CC(C)(C)NN 6849649 [2,0,0,0,0,0|1,0,1]=4 31 B5R0.4 CC(C)(N)CO 2825414 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.4 CC(C)(O)C#N 2825351 [2,0,0,0,0,0|0,0,2]=4 33 B5R0.4 CC(C)(O)CN 7020694197 [2,0,0,0,0,0|0,0,1]=3 34 B5R0.4 C[Si](C)(C)CCl 2826198 [2,0,0,0,0,0|1,1,0]=4 35 B7R0.7 [C-]#[N+]CC(=O)OCC 4810833 [1,1,0,0,0,0|1,0,1]=4 36 B7R0.8 CC(C)(C)CCCN 1188064 [1,1,0,0,0,0|1,0,1]=4 37 B7R0.9 CC(=O)CC(C)(C)O 2825998 [1,1,0,0,0,0|1,0,1]=4 38 B7R0.9 CC(C)(C)CC(=O)O 1499901 [1,1,0,0,0,0|2,0,0]=4 39 B7R0.9 CN(C)CC(C)(C)O 1366559 [1,1,0,0,0,0|0,0,2]=4 40 B7R0.13 CN(C)C(C)(C)CN 7020410328 [1,1,0,0,0,0|1,0,1]=4 41 B7R0.18 COC(N)(CO)CO 3585946 [1,1,0,0,0,0|2,0,0]=4 42 B9R0.60 COC(=O)C(C)(C)CCO 7028907 [0,2,0,0,0,0|2,0,0]=4 43 B9R0.62 CCCC(OC)(OC)OC 2819865 [0,2,0,0,0,0|1,0,1]=4 44 B7R1.1 COC1CCNC1 1496837 [1,0,0,1,0,0|0,0,2]=4 45 B7R1.3 CC1CNCCO1 1145920 [1,0,0,1,0,0|0,0,2]=4 46 B9R1.10 CC1(C)OCC(=O)CO1 4811156 [0,1,0,1,0,0|2,0,0]=4 47 B9R1.10 CC1(C)OCC(O)CO1 4060126 [0,1,0,1,0,0|2,0,0]=4 48 B9R1.133 CC1(C)OC[C@H](CO)O1 8916344 [0,1,0,1,0,0|2,0,0]=4 49 B9R1.134 CC1(CCN)OCCO1 1270798 [0,1,0,1,0,0|2,0,0]=4