0  B5R0.1  CC(=O)OCBr BIM590 [0,0,0,0,0,0|2,0,2]=4
1  B4R0.1  C[C@@H](N)CO BIA0108 [1,0,0,0,0,0|1,0,2]=4
2  B4R0.1  C[C@H](N)CO BIA0120 [1,0,0,0,0,0|1,0,2]=4
3  B6R0.1  C=CC[C@@H](N)CO BICR116 [0,1,0,0,0,0|3,0,0]=4
4  B6R0.1  C=CC[C@H](N)CO BICR108 [0,1,0,0,0,0|3,0,0]=4
5  B3R0.2  CS(C)=O BID1200 [2,0,0,0,0,0|1,0,0]=3
6  B5R0.3  O=C[C@@H](O)CO BIB6060 [1,1,0,0,0,0|1,0,0]=3
7  B5R0.5  CC(=O)C(=O)[O-] BIB6270 [1,1,0,0,0,0|1,0,1]=4
8  B5R0.5  CC(=O)C([13CH3])=O BID0431 [1,1,0,0,0,0|1,0,1]=4
9  B5R0.5  CC(=O)N(C)C BIA3145 [1,1,0,0,0,0|1,0,0]=3
10  B5R0.5  CC(N)C(=O)O BIA0868 [1,1,0,0,0,0|1,0,0]=3
11  B5R0.5  C[C@@H](N)C(=O)O BIA0863 [1,1,0,0,0,0|1,0,0]=3
12  B5R0.5  C[C@H](N)C(=O)O BIA0703 [1,1,0,0,0,0|1,0,0]=3
13  B7R0.10  O=C[C@H](O)[C@H](O)CO BIFS0103 [0,2,0,0,0,0|2,0,0]=4
14  B7R0.16  CC(C)[C@H](N)C(=O)O BIV0722 [0,2,0,0,0,0|1,0,0]=3
15  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O BIT0719 [0,2,0,0,0,0|2,0,0]=4
16  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O BIT0724 [0,2,0,0,0,0|2,0,0]=4
17  B7R0.16  C[C@H](O)[C@@H](N)C(=O)O BIT0801 [0,2,0,0,0,0|2,0,0]=4
18  B7R0.16  C[C@H](O)[C@H](N)C(=O)O BIT0901 [0,2,0,0,0,0|2,0,0]=4
19  B7R0.13  [2H]C([2H])(C=O)C(C)C BIM0590 [0,2,0,0,0,0|1,0,0]=3