0  B3R0.1  C#[N+]CC DB03399 [0,0,0,0,0,0|3,0,0]=3
1  B3R0.1  C(N)=CS DB01968 [0,0,0,0,0,0|2,0,2]=4
2  B3R0.1  CCCO DB03175 [0,0,0,0,0,0|1,1,1]=3
3  B3R0.1  CCN=O DB02646 [0,0,0,0,0,0|2,0,1]=3
4  B3R0.1  CCNC DB02396 [0,0,0,0,0,0|1,0,2]=3
5  B3R0.1  ClCCCl DB03733 [0,0,0,0,0,0|3,0,1]=4
6  B3R0.1  N=CCN DB02108 [0,0,0,0,0,0|3,0,1]=4
7  B3R0.1  NCCN DB14189 [0,0,0,0,0,0|3,0,1]=4
8  B3R0.1  NCCO DB03994 [0,0,0,0,0,0|2,1,1]=4
9  B3R0.1  OCCS DB03345 [0,0,0,0,0,0|2,0,2]=4
10  B2R0.1  CCCl DB13259 [1,0,0,0,0,0|1,0,1]=3
11  B2R0.1  Cl[Hg]Cl DB13765 [1,0,0,0,0,0|3,0,0]=4
12  B2R0.1  I[Hg]I DB04445 [1,0,0,0,0,0|3,0,0]=4
13  B2R0.1  N#CN DB02679 [1,0,0,0,0,0|1,0,2]=4
14  B2R0.1  N=N/C DB04361 [1,0,0,0,0,0|1,0,0]=2
15  B2R0.1  O=CO DB01942 [1,0,0,0,0,0|1,1,1]=4
16  B2R0.1  O=P[O-] DB04053 [1,0,0,0,0,0|1,2,0]=4
17  B2R0.1  O=[Si]=O DB13654 [1,0,0,0,0,0|1,2,0]=4
18  B2R0.1  O=[Si]=O DB14138 [1,0,0,0,0,0|1,2,0]=4
19  B2R0.1  [C-]#[N+]C DB04337 [1,0,0,0,0,0|0,0,2]=3
20  B4R0.1  CC(=O)C=O DB03587 [0,1,0,0,0,0|1,1,1]=4
21  B4R0.1  CC(=O)O[Hg+] DB02176 [0,1,0,0,0,0|3,0,0]=4
22  B4R0.1  CCC(N)=O DB04161 [0,1,0,0,0,0|1,1,1]=4
23  B4R0.1  CC[C@@H](C)O DB02606 [0,1,0,0,0,0|1,1,1]=4
24  B4R0.1  CN(C)C=O DB01844 [0,1,0,0,0,0|0,1,2]=4
25  B4R0.1  C[C@@H](Cl)CCl DB01701 [0,1,0,0,0,0|2,0,1]=4
26  B4R0.1  C[C@@H](O)CO DB02159 [0,1,0,0,0,0|1,1,1]=4
27  B4R0.1  C[C@H](O)C=O DB03776 [0,1,0,0,0,0|1,1,1]=4
28  B4R0.1  C[C@H](O)CBr DB03335 [0,1,0,0,0,0|2,0,1]=4
29  B4R0.1  C[C@H](O)CO DB04349 [0,1,0,0,0,0|1,1,1]=4
30  B4R0.1  C[C@H](O)C[NH3+] DB02576 [0,1,0,0,0,0|2,0,1]=4
31  B4R0.2  CCCCN DB03659 [0,1,0,0,0,0|2,0,1]=4
32  B4R0.2  CCCCO DB02145 [0,1,0,0,0,0|1,1,1]=4
33  B4R0.2  COCCO DB02806 [0,1,0,0,0,0|1,1,1]=4
34  B4R0.2  C\C=C\C=O DB04381 [0,1,0,0,0,0|1,1,1]=4
35  B4R0.2  OCCCO DB02774 [0,1,0,0,0,0|1,1,1]=4
36  B4R0.2  [C-]#[N+]CCC DB04050 [0,1,0,0,0,0|2,0,1]=4
37  B1R0.1  CN DB01828 [2,0,0,0,0,0|0,0,1]=3
38  B1R0.1  OCl DB14135 [2,0,0,0,0,0|1,1,0]=4
39  B3R0.2  CC(N)=O DB02736 [1,1,0,0,0,0|0,1,1]=4
40  B3R0.2  C[P@@H](=O)[O-] DB02825 [1,1,0,0,0,0|0,2,0]=4
41  B3R0.2  C[P@H](=O)O DB02845 [1,1,0,0,0,0|0,2,0]=4
42  B3R1.1  C1CC1 DB13984 [1,0,0,1,0,0|1,0,1]=4