0  B4R0.1  CC(O)CO DB01839 [0,0,0,0,0,0|2,0,0]=2
1  B4R0.1  CC[C@@H](C)O DB02606 [0,0,0,0,0,0|2,0,0]=2
2  B4R0.1  N=C(N)NN DB05383 [0,0,0,0,0,0|3,0,1]=4
3  B4R0.1  O=C(O)CO DB03085 [0,0,0,0,0,0|3,0,1]=4
4  B3R0.1  CN=C=O DB12765 [1,0,0,0,0,0|2,0,1]=4
5  B3R0.1  NCCS DB00847 [1,0,0,0,0,0|1,0,0]=2
6  B3R0.2  CC(=O)[O-] DB00258 [1,0,0,0,0,0|2,0,1]=4
7  B3R0.2  CC(C)O DB02325 [1,0,0,0,0,0|1,0,0]=2
8  B3R0.2  NC(N)=O DB03904 [1,0,0,0,0,0|2,0,1]=4
9  B5R0.1  CNCC(=O)O DB12519 [0,1,0,0,0,0|2,0,1]=4
10  B5R0.3  OCC(O)CO DB09462 [0,1,0,0,0,0|2,0,0]=3
11  B5R0.4  FCC(F)(F)F DB13116 [0,1,0,0,0,0|3,0,0]=4
12  B5R0.5  CC(O)C(=O)[O-] DB13231 [0,1,0,0,0,0|2,0,1]=4
13  B2R0.1  CCCl DB13259 [2,0,0,0,0,0|1,0,0]=3
14  B2R0.1  CON DB06328 [2,0,0,0,0,0|1,0,0]=3
15  B4R0.3  CS(C)(=O)=O DB14090 [1,1,0,0,0,0|2,0,0]=4
16  B6R0.5  C[N+](C)([11CH3])CCO DB09277 [0,2,0,0,0,0|2,0,0]=4
17  B4R1.2  CC1CO1 DB11451 [1,0,0,1,0,0|1,0,0]=3