0  B9R1.66  C[C@@]1(O)CCOC(=O)C1 M0662 [0,1,0,0,0,0|1,0,0]=2
1  B7R0.2  COC(=O)C[C@@H](C)O H0102 [0,0,1,0,0,0|2,0,0]=3
2  B7R1.4  O=C1NOC[C@H]1N D0356 [0,0,0,0,1,0|3,0,0]=4
3  B7R1.4  O=C1[C@@H]([NH3+])CCO1 H0310 [0,0,0,0,1,0|2,0,0]=3
4  B6R0.2  CC(O)CC([O-])=O H0080 [1,0,1,0,0,0|2,0,0]=4
5  B6R0.4  OC(CCCN)=O G0043 [1,0,1,0,0,0|2,0,0]=4
6  B6R0.6  CCCC/C=C/I I0047 [1,0,1,0,0,0|1,0,1]=4
7  B8R0.8  N[C@H](C(O)=O)CCSC M0524 [0,1,1,0,0,0|2,0,0]=4
8  B8R0.8  O=C(O)C(N)CCSC D0444 [0,1,1,0,0,0|2,0,0]=4
9  B8R1.5  BrC1CCCCC1=O B0249 [1,1,0,0,0,0|0,0,0]=2
10  B8R1.19  CC1(C)CCCC1=O D0333 [0,1,0,0,1,0|0,0,0]=2
11  B8R1.7  O=C(O)[C@H]1NCCC1 P0446 [0,0,1,1,0,0|2,0,0]=4
12  B8R2.25  C1CC2OC2C=C1 E0058 [1,0,0,1,0,0|1,0,1]=4
13  B6R0.3  OC[C@H](C)C([O-])=O H0292 [0,0,1,0,1,0|2,0,0]=4