0 B7R0.9 CC(=O)CC(C)(C)O 2825998 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.9 CC(C)(C)CC(=O)O 1499901 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.9 CC(C)(C)NC(N)=O 1778651 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.9 C[N+](C)(C)CC(=O)O 22430433 [0,0,0,0,0,0|0,0,1]=1 4 B6R0.2 CC(=O)C=C(C)C 2825513 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.2 CC(=O)CC(C)=O 2825554 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.2 CC(=O)CC(C)C 1366516 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.2 CC(=O)CC(N)=O 2825579 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.2 CC(C)=CC(=O)O 7017655456 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.2 CC(C)=CC(N)=O 1375172 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.2 CC(C)=C[N+](=O)[O-] 4061406 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.2 CC(C)CC(=O)Cl 1051698 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.2 CC(C)CC(=O)O 2825611 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.2 CN(C)CC(=O)O 15386257 [1,0,0,0,0,0|0,0,2]=3 14 B6R0.5 CC(C)(C)CCBr 2823818 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.5 CC(C)(C)CCCl 2826144 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.5 CC(C)(C)CCO 2204684 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.5 CNCC(C)(C)C 1778570 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.24 CC(C)(C)NC(=O)CCl 7020410098 [0,1,0,0,0,0|3,0,0]=4 19 B8R0.24 CC(C)(C)OC(=O)C#N 15385519 [0,1,0,0,0,0|3,0,0]=4 20 B8R0.24 CC(C)(C)OC(=O)CBr 2853600 [0,1,0,0,0,0|3,0,0]=4 21 B8R0.24 CC(C)(C)OC(=O)CN 22430387 [0,1,0,0,0,0|3,0,0]=4 22 B8R0.24 CC(C)(C)OC(=O)NN 2826875 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.34 CC(C)(C#N)C[N+](=O)[O-] 11180535 [0,1,0,0,0,0|2,0,1]=4 24 B8R1.51 CC1(C)CCC(=O)C1 5728759 [0,0,0,1,0,0|2,0,0]=3 25 B6R0.7 CC(=O)C(C)(C)C 2825568 [0,0,0,0,1,0|2,0,0]=3 26 B6R0.7 CC(C)(Br)C(=O)Br 3585911 [0,0,0,0,1,0|3,0,0]=4 27 B6R0.7 CC(C)(Br)C(=O)Cl 3585814 [0,0,0,0,1,0|3,0,0]=4 28 B6R0.7 CC(C)(Br)C(N)=O 4787228 [0,0,0,0,1,0|3,0,0]=4 29 B6R0.7 CC(C)(C)C(=N)N 5252244 [0,0,0,0,1,0|3,0,0]=4 30 B6R0.7 CC(C)(C)C(=O)Cl 1051702 [0,0,0,0,1,0|2,0,0]=3 31 B6R0.7 CC(C)(C)C(=O)O 2825608 [0,0,0,0,1,0|1,0,1]=3 32 B6R0.7 CC(C)(N)C(=O)O 22430391 [0,0,0,0,1,0|2,0,1]=4 33 B6R0.7 CC(C)(O)C(=O)O 22430496 [0,0,0,0,1,0|2,0,1]=4 34 B5R0.1 CC(C)CC=O 2825368 [2,0,0,0,0,0|1,0,0]=3 35 B5R0.1 CCCC(=O)Cl 1051694 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.1 CCCC(=O)O 2825391 [2,0,0,0,0,0|1,0,1]=4 37 B5R0.1 CCCC(C)=O 1366507 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.1 CCC[N+](=O)[O-] 2816671 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.1 CNCC(=O)O 1972908 [2,0,0,0,0,0|0,0,2]=4 40 B5R0.1 COCC(=O)Cl 1375180 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 COCC(=O)O 2825420 [2,0,0,0,0,0|1,0,1]=4 42 B5R0.1 COCC(N)=O 1375171 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.4 C[Si](C)(C)CCl 2826198 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.16 CC(C)C(Br)C(=O)Cl 2204585 [1,1,0,0,0,0|2,0,0]=4 45 B7R0.16 CC(C)C(N)C(=O)O 2826029 [1,1,0,0,0,0|1,0,1]=4 46 B7R0.16 CC(C)[C@H](N)C(=O)O 4434592 [1,1,0,0,0,0|1,0,1]=4 47 B7R0.13 CC(C)(CCl)C(=O)O 2827155 [0,1,0,0,1,0|1,0,1]=4 48 B7R0.13 CC(C)(CN)C(N)=O 2246539 [0,1,0,0,1,0|2,0,0]=4 49 B9R0.63 CC(CN)(CO)CC(=O)O 6923410 [0,2,0,0,0,0|1,0,1]=4 50 B9R1.125 CC1(CO)CNC(=O)C1 6923411 [0,1,0,1,0,0|2,0,0]=4 51 B5R0.5 CC(=O)C(C)C 2825372 [1,0,0,0,1,0|2,0,0]=4 52 B5R0.5 CC(=O)N(C)C 2825378 [1,0,0,0,1,0|1,0,1]=4 53 B5R0.5 CC(C)C(=O)Cl 1051695 [1,0,0,0,1,0|2,0,0]=4 54 B5R0.5 CC(C)C(=O)O 1201986 [1,0,0,0,1,0|1,0,1]=4 55 B5R0.5 CC(C)C(N)=O 1375169 [1,0,0,0,1,0|2,0,0]=4 56 B5R0.5 CC(C)[N+](=O)[O-] 2825411 [1,0,0,0,1,0|2,0,0]=4 57 B5R0.5 CN(C)C(=O)Cl 2197768 [1,0,0,0,1,0|1,0,1]=4 58 B7R0.6 CC(=O)CSC(C)C 2652748 [1,0,0,0,0,1|2,0,0]=4 59 B7R0.6 CC(C)CNC(N)=O 1778648 [1,0,0,0,0,1|2,0,0]=4 60 B7R0.6 CC(C)COC(=O)Cl 2827151 [1,0,0,0,0,1|2,0,0]=4 61 B7R0.6 CC(C)SCC(=O)O 7020300467 [1,0,0,0,0,1|1,0,1]=4 62 B7R0.6 CN(C)CCC(=O)O 1901686 [1,0,0,0,0,1|0,0,2]=4