0  B6R0.6  O=CCCCC=O D01120 [0,0,0,0,0,0|2,0,2]=4
1  B6R0.6  OCCNCCO D02337 [0,0,0,0,0,0|3,0,0]=3
2  B7R0.4  CCCCCC(C)N D07371 [0,1,0,0,0,0|2,0,0]=3
3  B4R0.2  CCCCO D03200 [2,0,0,0,0,0|0,0,0]=2
4  B4R0.2  CCOCC D01772 [2,0,0,0,0,0|1,0,0]=3
5  B4R0.2  COCCO D05554 [2,0,0,0,0,0|0,1,0]=3
6  B6R0.4  NCCCC(=O)O D00058 [1,1,0,0,0,0|1,0,1]=4
7  B6R0.4  O=C([O-])CCCO D05866 [1,1,0,0,0,0|0,1,1]=4
8  B8R0.4  CCOCCOCCO D08904 [0,2,0,0,0,0|0,1,0]=3
9  B8R0.7  NCCCCCC(=O)O D00160 [0,2,0,0,0,0|1,0,1]=4
10  B8R0.8  CSCCC(N)C(=O)O D04983 [0,2,0,0,0,0|0,0,1]=3
11  B8R0.8  CSCC[C@H](N)C(=O)O D00019 [0,2,0,0,0,0|0,0,1]=3
12  B8R0.8  CSCC[C@H](N)[11C](=O)O D04984 [0,2,0,0,0,0|0,0,1]=3
13  B8R0.8  C[75Se]CC[C@H](N)C(=O)O D05816 [0,2,0,0,0,0|0,1,1]=4
14  B8R0.28  CC(C)CCCC(C)N D05228 [0,2,0,0,0,0|2,0,0]=4
15  B6R1.1  C1CNCCN1 D00807 [1,0,0,1,0,0|2,0,0]=4
16  B6R1.1  C1CNCCN1 D01393 [1,0,0,1,0,0|2,0,0]=4
17  B6R1.1  C1CNCCN1 D08381 [1,0,0,1,0,0|2,0,0]=4
18  B6R1.1  C1CNCCN1 D09653 [1,0,0,1,0,0|2,0,0]=4
19  B8R1.5  N[C@@H]1CCCC[C@H]1N D01790 [0,1,0,1,0,0|2,0,0]=4
20  B8R1.5  N[C@@H]1CCCC[C@H]1N D03723 [0,1,0,1,0,0|2,0,0]=4
21  B8R1.5  N[C@@H]1CCCC[C@H]1N D05272 [0,1,0,1,0,0|2,0,0]=4
22  B8R1.22  O=C1CCCCCO1 D05540 [0,1,0,1,0,0|1,0,1]=4
23  B8R1.7  O=C(O)C1CSCN1 D08601 [0,1,0,1,0,0|1,0,1]=4