0  B5R0.1  CC(O)CCO D10695 [1,0,0,0,0,0|1,0,1]=3
1  B5R0.1  CC(O)C[197Hg]O D04940 [1,0,0,0,0,0|2,0,1]=4
2  B5R0.1  CCCC(=O)[O-] D08998 [1,0,0,0,0,0|1,0,2]=4
3  B5R0.1  NCCC(=O)O D07561 [1,0,0,0,0,0|2,0,1]=4
4  B5R0.2  C=CCN=C=S D02818 [1,0,0,0,0,0|2,0,1]=4
5  B5R0.3  OCC(O)CO D00028 [1,0,0,0,0,0|2,0,1]=4
6  B5R0.3  OCC(O)CS D05075 [1,0,0,0,0,0|2,0,1]=4
7  B7R0.10  OC[C@H](O)[C@H](O)CO D08915 [0,1,0,0,0,0|2,0,1]=4
8  B4R0.1  C=CC(=O)O D03392 [2,0,0,0,0,0|1,0,1]=4
9  B4R0.1  C=CC(=O)O D03393 [2,0,0,0,0,0|1,0,1]=4
10  B4R0.1  C=CC(=O)O D03394 [2,0,0,0,0,0|1,0,1]=4
11  B4R0.1  C=CC(=O)O D03395 [2,0,0,0,0,0|1,0,1]=4
12  B4R0.1  C=CC(=O)O D03396 [2,0,0,0,0,0|1,0,1]=4
13  B4R0.1  C=CC(=O)O D03397 [2,0,0,0,0,0|1,0,1]=4
14  B4R0.1  CC(O)CO D00078 [2,0,0,0,0,0|1,0,1]=4
15  B4R0.1  CCC(=O)O D02310 [2,0,0,0,0,0|1,0,1]=4
16  B4R0.1  [*]CC([*])O D02320 [2,0,0,0,0,0|2,0,0]=4
17  B4R0.2  CCCCO D03200 [2,0,0,0,0,0|0,0,0]=2
18  B4R0.2  CCOCC D01772 [2,0,0,0,0,0|1,0,1]=4
19  B4R0.2  COCCO D05554 [2,0,0,0,0,0|1,0,0]=3
20  B6R0.4  NCCCC(=O)O D00058 [1,1,0,0,0,0|1,0,1]=4
21  B6R0.6  O=CCCCC=O D01120 [1,1,0,0,0,0|1,0,1]=4
22  B6R0.8  C#CC(C)(O)CC D07332 [1,1,0,0,0,0|0,0,2]=4
23  B8R0.2  CC[C@H](C)[C@H](N)C(=O)O D00065 [0,2,0,0,0,0|2,0,0]=4
24  B8R0.23  CC(C)C[C@H](N)C(=O)O D00030 [0,2,0,0,0,0|2,0,0]=4
25  B8R0.8  CSCCC(N)C(=O)O D04983 [0,2,0,0,0,0|2,0,0]=4
26  B8R0.8  CSCC[C@H](N)C(=O)O D00019 [0,2,0,0,0,0|2,0,0]=4
27  B8R0.8  CSCC[C@H](N)[11C](=O)O D04984 [0,2,0,0,0,0|2,0,0]=4
28  B8R0.8  C[75Se]CC[C@H](N)C(=O)O D05816 [0,2,0,0,0,0|2,0,0]=4
29  B8R0.8  NCCC[C@H](N)C(=O)O D08302 [0,2,0,0,0,0|2,0,0]=4
30  B8R0.8  NCCC[C@H](N)C(=O)O D08303 [0,2,0,0,0,0|2,0,0]=4
31  B8R0.9  C=CC(N)CCC(=O)O D00535 [0,2,0,0,0,0|1,0,1]=4
32  B8R1.7  O=C(O)[C@@H]1CCCN1 D00035 [0,1,0,1,0,0|2,0,0]=4