0  B4R0.1  CC(=O)NO DB00551 [0,0,0,0,0,0|3,0,1]=4
1  B4R0.1  CC(O)CO DB01839 [0,0,0,0,0,0|2,0,0]=2
2  B4R0.1  CCC(=O)O DB03766 [0,0,0,0,0,0|3,0,1]=4
3  B4R0.1  NCC(=O)O DB00145 [0,0,0,0,0,0|2,0,1]=3
4  B4R0.1  NCC(=O)[O-] DB11189 [0,0,0,0,0,0|2,0,1]=3
5  B4R0.1  NCC(=O)[O-] DB11200 [0,0,0,0,0,0|2,0,1]=3
6  B4R0.1  NCC(=O)[O-] DB11210 [0,0,0,0,0,0|2,0,1]=3
7  B4R0.1  O=C(O)CO DB03085 [0,0,0,0,0,0|3,0,1]=4
8  B3R0.1  CCCO DB03175 [1,0,0,0,0,0|1,0,0]=2
9  B3R0.1  NCCS DB00847 [1,0,0,0,0,0|1,0,0]=2
10  B3R0.2  C(I)(I)I DB13813 [1,0,0,0,0,0|3,0,0]=4
11  B3R0.2  CC(=O)O DB03166 [1,0,0,0,0,0|2,0,1]=4
12  B3R0.2  CC(=O)[O-] DB00258 [1,0,0,0,0,0|2,0,1]=4
13  B3R0.2  CC(=O)[O-] DB09395 [1,0,0,0,0,0|2,0,1]=4
14  B3R0.2  CC(=O)[O-] DB09409 [1,0,0,0,0,0|2,0,1]=4
15  B3R0.2  CC(=O)[O-] DB13996 [1,0,0,0,0,0|2,0,1]=4
16  B3R0.2  CC(C)O DB02325 [1,0,0,0,0,0|1,0,0]=2
17  B3R0.2  CS(C)=O DB01093 [1,0,0,0,0,0|2,0,0]=3
18  B3R0.2  N=C(N)N DB00536 [1,0,0,0,0,0|2,0,1]=4
19  B3R0.2  N=C(N)O DB11129 [1,0,0,0,0,0|2,0,1]=4
20  B3R0.2  N=[13C](N)O DB09510 [1,0,0,0,0,0|2,0,1]=4
21  B3R0.2  NC(N)=O DB03904 [1,0,0,0,0,0|2,0,1]=4
22  B3R0.2  N[14C](N)=O DB09513 [1,0,0,0,0,0|2,0,1]=4
23  B5R0.3  OCC(O)CO DB09462 [0,1,0,0,0,0|2,0,0]=3
24  B5R0.3  OCC(S)CS DB06782 [0,1,0,0,0,0|2,0,0]=3
25  B5R0.4  FCC(F)(F)F DB13116 [0,1,0,0,0,0|3,0,0]=4
26  B5R0.5  CC(O)C(=O)O DB04398 [0,1,0,0,0,0|2,0,1]=4
27  B5R0.5  CC(O)C(=O)[O-] DB06768 [0,1,0,0,0,0|2,0,1]=4
28  B5R0.5  CC(O)C(=O)[O-] DB13231 [0,1,0,0,0,0|2,0,1]=4
29  B5R0.5  C[C@H](N)C(=O)O DB00160 [0,1,0,0,0,0|2,0,1]=4
30  B5R1.3  ClCC1CO1 DB00658 [0,0,0,1,0,0|2,0,0]=3
31  B2R0.1  CCCl DB13259 [2,0,0,0,0,0|1,0,0]=3
32  B2R0.1  CCO DB00898 [2,0,0,0,0,0|1,0,0]=3
33  B6R0.5  C[N+](C)(C)CCO DB00122 [0,2,0,0,0,0|2,0,0]=4
34  B6R0.5  C[N+](C)([11CH3])CCO DB09277 [0,2,0,0,0,0|2,0,0]=4
35  B6R0.5  C[N+](C)([11CH3])CCO DB09563 [0,2,0,0,0,0|2,0,0]=4