0  B5R0.1  CC(O)CCO D10695 [1,0,0,0,0,0|1,0,0]=2
1  B5R0.1  CC(O)C[197Hg]O D04940 [1,0,0,0,0,0|2,0,0]=3
2  B5R0.1  CCCC(=O)[O-] D08998 [1,0,0,0,0,0|1,0,2]=4
3  B5R0.1  CCOC(C)=O D02319 [1,0,0,0,0,0|1,0,2]=4
4  B5R0.1  CN(C)CCO D07777 [1,0,0,0,0,0|3,0,0]=4
5  B5R0.1  CN(C)CCS D03376 [1,0,0,0,0,0|3,0,0]=4
6  B5R0.1  NCCC(=O)O D07561 [1,0,0,0,0,0|2,0,1]=4
7  B5R0.3  OCC(O)CO D00028 [1,0,0,0,0,0|2,0,0]=3
8  B5R0.3  OCC(O)CS D05075 [1,0,0,0,0,0|2,0,0]=3
9  B5R0.3  OCC(S)CS D00167 [1,0,0,0,0,0|2,1,0]=4
10  B7R0.2  NCC(O)CC(=O)O D00174 [0,1,0,0,0,0|2,0,1]=4
11  B7R0.7  CN(CCCl)CCCl D04872 [0,1,0,0,0,0|3,0,0]=4
12  B7R0.7  CN(CCCl)CCCl D07671 [0,1,0,0,0,0|3,0,0]=4
13  B7R0.10  OC[C@H](O)[C@H](O)CO D08915 [0,1,0,0,0,0|2,0,0]=3
14  B7R0.12  [*]OCC(CO)O[*] D05073 [0,1,0,0,0,0|3,0,0]=4
15  B4R0.1  CC(O)CO D00078 [2,0,0,0,0,0|1,0,0]=3
16  B4R0.1  CCC(=O)O D02310 [2,0,0,0,0,0|1,0,1]=4
17  B4R0.1  [*]CC([*])C D05545 [2,0,0,0,0,0|2,0,0]=4
18  B4R0.1  [*]CC([*])O D02320 [2,0,0,0,0,0|2,0,0]=4
19  B4R0.2  CCCCO D03200 [2,0,0,0,0,0|0,0,0]=2
20  B4R0.2  CCOCC D01772 [2,0,0,0,0,0|1,0,0]=3
21  B4R0.2  COCCO D05554 [2,0,0,0,0,0|1,0,0]=3
22  B6R0.2  CC(=O)CC(C)C D04989 [1,1,0,0,0,0|0,0,2]=4
23  B6R0.2  CC(C)NC(C)C D01816 [1,1,0,0,0,0|2,0,0]=4
24  B6R0.2  CC(C)[NH2+]C(C)C D07842 [1,1,0,0,0,0|2,0,0]=4
25  B6R0.4  NCCCC(=O)O D00058 [1,1,0,0,0,0|1,0,1]=4
26  B6R0.6  OCCNCCO D02337 [1,1,0,0,0,0|2,0,0]=4
27  B6R0.8  C#CC(C)(O)CC D07332 [1,1,0,0,0,0|0,0,2]=4
28  B6R1.1  C1CNCCN1 D00807 [1,0,0,1,0,0|2,0,0]=4
29  B6R1.1  C1CNCCN1 D01393 [1,0,0,1,0,0|2,0,0]=4
30  B6R1.1  C1CNCCN1 D08381 [1,0,0,1,0,0|2,0,0]=4
31  B6R1.1  C1CNCCN1 D09653 [1,0,0,1,0,0|2,0,0]=4
32  B8R1.5  N[C@@H]1CCCC[C@H]1N D01790 [0,1,0,1,0,0|1,0,0]=3
33  B8R1.5  N[C@@H]1CCCC[C@H]1N D03723 [0,1,0,1,0,0|1,0,0]=3
34  B8R1.5  N[C@@H]1CCCC[C@H]1N D05272 [0,1,0,1,0,0|1,0,0]=3
35  B8R1.22  O=C1CCCCCO1 D05540 [0,1,0,1,0,0|0,0,2]=4