0  B7R1.1  C1CCN(C1)N=O N0378 [0,1,0,0,0,0|1,0,0]=2
1  B7R1.4  O=C1NOC[C@H]1N D0356 [0,1,0,0,0,0|2,0,0]=3
2  B7R1.4  O=C1[C@@H]([NH3+])CCO1 H0310 [0,1,0,0,0,0|1,0,0]=2
3  B5R0.1  CC(OCBr)=O B0074 [0,0,1,0,0,0|2,0,0]=3
4  B5R0.1  CNCC(O)=O S0121 [0,0,1,0,0,0|2,0,0]=3
5  B5R0.2  BrCCCC=C B0624 [0,0,1,0,0,0|2,0,0]=3
6  B4R0.2  CC\C=N\O P0059 [1,0,1,0,0,0|2,0,0]=4
7  B6R0.2  CC(O)CC([O-])=O H0080 [0,1,1,0,0,0|1,0,0]=3
8  B6R0.3  OC[C@H](C)C([O-])=O H0292 [0,1,1,0,0,0|2,0,0]=4
9  B6R0.4  OC(CCCN)=O G0043 [0,1,1,0,0,0|1,0,0]=3
10  B6R0.6  CCCC/C=C/I I0047 [0,1,1,0,0,0|1,0,0]=3
11  B6R0.8  CCS(=O)(OC)=O E0582 [0,1,1,0,0,0|2,0,0]=4
12  B8R1.5  BrC1CCCCC1=O B0249 [0,1,0,0,0,1|0,0,0]=2
13  B8R1.7  O=C(O)[C@H]1NCCC1 P0446 [0,2,0,0,0,0|1,0,1]=4
14  B8R1.8  C(CO)N1CCCC1 H0504 [0,2,0,0,0,0|1,0,1]=4
15  B8R1.19  CC1(C)CCCC1=O D0333 [0,2,0,0,0,0|0,0,0]=2