0  B5R0.3  O=C[C@@H](O)CO BIB6060 [0,0,0,0,0,0|2,0,2]=4
1  B4R0.1  NC(=O)NO BIH0153 [1,0,0,0,0,0|3,0,0]=4
2  B4R0.1  NCC(=O)O BIG0503 [1,0,0,0,0,0|2,0,0]=3
3  B4R0.1  NCC(=O)O BIG0709 [1,0,0,0,0,0|2,0,0]=3
4  B6R0.1  C=CC[C@@H](N)CO BICR116 [0,1,0,0,0,0|2,0,1]=4
5  B6R0.1  C=CC[C@H](N)CO BICR108 [0,1,0,0,0,0|2,0,1]=4
6  B6R0.3  CCC(=O)C(=O)[O-] BIK8008 [0,1,0,0,0,0|1,0,0]=2
7  B6R0.3  CCN(C)C(=O)Cl BIB6299 [0,1,0,0,0,0|3,0,0]=4
8  B6R0.3  COC(=O)[C@@H](C)N BIA0107 [0,1,0,0,0,0|1,0,1]=3
9  B6R0.3  COC(=O)[C@H](C)N BIA0121 [0,1,0,0,0,0|1,0,1]=3
10  B6R1.2  N=C1CCCS1 BIM099 [0,0,0,1,0,0|2,0,1]=4
11  B6R1.2  N=C1CCCS1 BIM100 [0,0,0,1,0,0|2,0,1]=4
12  B3R0.2  CS(C)=O BID1200 [2,0,0,0,0,0|1,0,1]=4
13  B3R0.2  NC(N)=O BIU4110 [2,0,0,0,0,0|2,0,0]=4
14  B5R0.1  CC(=O)OCBr BIM590 [1,1,0,0,0,0|1,0,1]=4
15  B5R0.1  CNCC(=O)O BIS0907 [1,1,0,0,0,0|1,0,0]=3
16  B5R0.5  CC(=O)C(=O)[O-] BIB6270 [1,1,0,0,0,0|1,0,0]=3
17  B5R0.5  CC(=O)C([13CH3])=O BID0431 [1,1,0,0,0,0|0,0,1]=3
18  B5R0.5  CC(=O)N(C)C BIA3145 [1,1,0,0,0,0|1,0,1]=4
19  B5R0.5  CC(N)C(=O)O BIA0868 [1,1,0,0,0,0|1,0,0]=3
20  B5R0.5  C[C@@H](N)C(=O)O BIA0863 [1,1,0,0,0,0|1,0,0]=3
21  B5R0.5  C[C@H](N)C(=O)O BIA0703 [1,1,0,0,0,0|1,0,0]=3
22  B7R0.5  CCOC(=O)[C@H](C)N BIA0106 [0,2,0,0,0,0|0,0,2]=4
23  B7R0.10  COC(=O)[C@@H](N)CO BIS0720 [0,2,0,0,0,0|1,0,1]=4
24  B7R1.2  O=C1CCC(=O)N1 BI224 [0,1,0,1,0,0|1,0,0]=3
25  B7R1.4  NC1CCSC1=O BIH4018 [0,1,0,1,0,0|1,0,1]=4
26  B7R1.4  N[C@@H]1CONC1=O BIC0119 [0,1,0,1,0,0|2,0,0]=4
27  B7R1.4  N[C@H]1CCOC1=O BIH4006 [0,1,0,1,0,0|1,0,1]=4
28  B7R1.15  O=C1C=C([O-])C1=O BIM1004 [0,1,0,1,0,0|1,0,1]=4