0  B8R0.7  CC(=O)NCCCCN T7508 [0,0,0,0,0,0|3,0,0]=3
1  B8R0.7  NCCCCCC(=O)O T0881 [0,0,0,0,0,0|4,0,0]=4
2  B7R0.1  CSCCCN=C=S T7873 [1,0,0,0,0,0|1,1,1]=4
3  B7R0.4  CCCCCC(C)N T0359 [1,0,0,0,0,0|2,0,1]=4
4  B7R0.4  NCCCCC(=O)O T5089 [1,0,0,0,0,0|3,0,0]=4
5  B9R0.2  CC(=O)NCCCCCN T5222 [0,1,0,0,0,0|2,0,0]=3
6  B9R0.2  CCCCCCCC(=O)O T3946 [0,1,0,0,0,0|3,0,0]=4
7  B9R0.2  CCCCC\C=C\C(=O)O T5261 [0,1,0,0,0,0|3,0,0]=4
8  B9R0.55  CC(=O)NCCCC(=O)O T4728 [0,1,0,0,0,0|3,0,0]=4
9  B9R1.6  O=C(O)C1CCCCC1 T5563 [0,0,0,1,0,0|3,0,0]=4
10  B9R1.6  O=C(O)[C@@H]1CCCNC1 T22482 [0,0,0,1,0,0|3,0,0]=4
11  B6R0.6  COCCCCO T7022 [2,0,0,0,0,0|2,0,0]=4
12  B6R0.4  CSCCC(=O)O T5285 [2,0,0,0,0,0|1,0,0]=3
13  B6R0.4  NCCCC(=O)O T0508 [2,0,0,0,0,0|2,0,0]=4
14  B8R0.8  CCCCC(O)C(=O)O T5224 [1,1,0,0,0,0|2,0,0]=4
15  B8R0.8  CCCC[C@H](N)C(=O)O T4765 [1,1,0,0,0,0|2,0,0]=4
16  B8R0.8  CSCCC(N)C(=O)O TJO2742 [1,1,0,0,0,0|1,0,0]=3
17  B8R0.8  CSCCC(O)C(=O)[O-] T5082 [1,1,0,0,0,0|1,0,0]=3
18  B8R0.8  CSCC[C@H](N)C(=O)O T4844 [1,1,0,0,0,0|1,0,0]=3
19  B8R0.8  C[Se]CCC(N)C(=O)O T1658 [1,1,0,0,0,0|1,1,0]=4
20  B8R0.8  C[Se]CC[C@H](N)C(=O)O T5372 [1,1,0,0,0,0|1,1,0]=4
21  B8R1.7  O=C(O)C1CSCN1 T0221 [1,0,0,1,0,0|2,0,0]=4
22  B8R1.7  O=C(O)C1CSSC1 T10388 [1,0,0,1,0,0|2,0,0]=4
23  B8R1.7  O=C(O)[C@@H]1CSCN1 T4292 [1,0,0,1,0,0|2,0,0]=4
24  B10R1.64  CC(=O)NC1CCSC1=O T0316 [0,1,0,1,0,0|1,0,1]=4
25  B10R1.15  COC(=O)C1CCCCC1 T22366 [0,1,0,1,0,0|2,0,0]=4