0  B5R1.1  C1=CNC=N1 BI7565 [0,0,0,0,0,0|1,0,3]=4
1  B5R1.1  C1=CNC=N1 BID0565 [0,0,0,0,0,0|1,0,3]=4
2  B5R1.1  [13CH]1=[15N][13CH]=[15N][15NH]1 BISC1054 [0,0,0,0,0,0|2,0,2]=4
3  B6R1.2  N=C1CCCS1 BIM099 [0,1,0,0,0,0|1,0,1]=3
4  B6R1.2  N=C1CCCS1 BIM100 [0,1,0,0,0,0|1,0,1]=3
5  B3R0.1  NCCS BIC2510 [1,0,1,0,0,0|1,0,0]=3
6  B5R0.1  CNCC(=O)O BIS0907 [0,1,1,0,0,0|1,0,1]=4
7  B5R0.2  NCCCCN BIB6265 [0,1,1,0,0,0|0,0,0]=2
8  B5R0.2  NCCCCN BIP0733 [0,1,1,0,0,0|0,0,0]=2
9  B5R0.3  OCC(O)CO BIA3092 [0,1,1,0,0,0|2,0,0]=4
10  B5R0.3  OCC(O)CS BIM0178 [0,1,1,0,0,0|2,0,0]=4
11  B7R1.2  O=C1CCC(=O)N1 BI224 [0,2,0,0,0,0|0,0,2]=4
12  B7R1.4  NC1CCSC1=O BIH4018 [0,2,0,0,0,0|1,0,1]=4
13  B7R1.4  N[C@@H]1CONC1=O BIC0119 [0,2,0,0,0,0|1,0,1]=4
14  B7R1.4  N[C@H]1CCOC1=O BIH4006 [0,2,0,0,0,0|1,0,1]=4