0  B7R1.4  NC1CCSC1=O BIH4018 [0,0,0,0,0,0|3,0,0]=3
1  B7R1.4  N[C@@H]1CONC1=O BIC0119 [0,0,0,0,0,0|4,0,0]=4
2  B7R1.4  N[C@H]1CCOC1=O BIH4006 [0,0,0,0,0,0|3,0,0]=3
3  B6R1.2  N=C1CCCS1 BIM099 [1,0,0,0,0,0|3,0,0]=4
4  B6R1.2  N=C1CCCS1 BIM100 [1,0,0,0,0,0|3,0,0]=4
5  B8R1.50  O=C1CCC(=O)N1O BIH6094 [0,1,0,0,0,0|3,0,0]=4
6  B6R0.3  CCC(=O)C(=O)[O-] BIK8008 [0,0,1,0,0,0|1,0,2]=4
7  B6R0.3  CCN(C)C(=O)Cl BIB6299 [0,0,1,0,0,0|3,0,0]=4
8  B6R0.3  COC(=O)[C@@H](C)N BIA0107 [0,0,1,0,0,0|2,0,0]=3
9  B6R0.3  COC(=O)[C@H](C)N BIA0121 [0,0,1,0,0,0|2,0,0]=3
10  B5R0.1  CC(=O)OCBr BIM590 [1,0,1,0,0,0|1,0,1]=4
11  B5R0.1  CNCC(=O)O BIS0907 [1,0,1,0,0,0|2,0,0]=4
12  B5R0.3  O=C[C@@H](O)CO BIB6060 [1,0,1,0,0,0|2,0,0]=4
13  B5R0.5  CC(=O)C([13CH3])=O BID0431 [1,0,1,0,0,0|0,0,2]=4
14  B5R0.5  CC(=O)N(C)C BIA3145 [1,0,1,0,0,0|1,0,0]=3
15  B5R0.5  CC(N)C(=O)O BIA0868 [1,0,1,0,0,0|2,0,0]=4
16  B5R0.5  C[C@@H](N)C(=O)O BIA0863 [1,0,1,0,0,0|2,0,0]=4
17  B5R0.5  C[C@H](N)C(=O)O BIA0703 [1,0,1,0,0,0|2,0,0]=4
18  B7R0.5  CCOC(=O)[C@H](C)N BIA0106 [0,1,1,0,0,0|2,0,0]=4
19  B7R0.10  COC(=O)[C@@H](N)CO BIS0720 [0,1,1,0,0,0|1,0,0]=3
20  B7R1.2  O=C1CCC(=O)N1 BI224 [1,1,0,0,0,0|2,0,0]=4
21  B9R1.37  [13CH3][13CH]1O[13CH]([13CH3])[13C](=O)[13C]1=O BIF0365 [0,2,0,0,0,0|0,0,1]=3