0  B3R0.1  C#CCO YMDB01377 [0,0,0,0,0,0|1,1,2]=4
1  B3R0.1  C=CC=O YMDB00812 [0,0,0,0,0,0|1,1,2]=4
2  B3R0.1  CCC=O YMDB00911 [0,0,0,0,0,0|1,1,1]=3
3  B3R0.1  CCCO YMDB01395 [0,0,0,0,0,0|1,1,1]=3
4  B3R0.1  NCC=O YMDB00771 [0,0,0,0,0,0|2,1,1]=4
5  B3R0.1  NCCO YMDB00009 [0,0,0,0,0,0|2,1,1]=4
6  B3R0.1  O=CCO YMDB00343 [0,0,0,0,0,0|2,1,1]=4
7  B3R0.1  OCCO YMDB01564 [0,0,0,0,0,0|2,1,1]=4
8  B2R0.1  CC=O YMDB00022 [1,0,0,0,0,0|0,1,1]=3
9  B2R0.1  CCO YMDB00883 [1,0,0,0,0,0|0,1,1]=3
10  B2R0.1  CCS YMDB01683 [1,0,0,0,0,0|0,0,2]=3
11  B2R0.1  CSC YMDB01674 [1,0,0,0,0,0|1,0,1]=3
12  B2R0.1  N#C[S-] YMDB00391 [1,0,0,0,0,0|0,0,3]=4
13  B2R0.1  O=C=O YMDB00912 [1,0,0,0,0,0|1,1,0]=3
14  B2R0.1  O=CO YMDB00385 [1,0,0,0,0,0|1,1,1]=4
15  B2R0.1  O=N[O-] YMDB00135 [1,0,0,0,0,0|1,1,0]=3
16  B2R0.1  O=S=O YMDB01785 [1,0,0,0,0,0|2,1,0]=4
17  B4R0.1  CC(=O)C=O YMDB00170 [0,1,0,0,0,0|1,1,1]=4
18  B4R0.1  CC(=O)CN YMDB00892 [0,1,0,0,0,0|2,0,1]=4
19  B4R0.1  CC(C)C=O YMDB00482 [0,1,0,0,0,0|1,1,1]=4
20  B4R0.1  CC(C)CO YMDB00573 [0,1,0,0,0,0|1,1,1]=4
21  B4R0.1  CC(O)CO YMDB01405 [0,1,0,0,0,0|1,1,1]=4
22  B4R0.1  CC=[N+]([O-])[O-] YMDB00370 [0,1,0,0,0,0|2,1,0]=4
23  B4R0.1  CCC(=O)O YMDB00857 [0,1,0,0,0,0|1,1,1]=4
24  B4R0.1  CN(C)C=O YMDB01396 [0,1,0,0,0,0|0,1,2]=4
25  B4R0.1  C[C@@H](O)C=O YMDB00111 [0,1,0,0,0,0|1,1,1]=4
26  B4R0.1  C[C@H](O)C=O YMDB00167 [0,1,0,0,0,0|1,1,1]=4
27  B4R0.2  C=COCC YMDB01335 [0,1,0,0,0,0|2,0,1]=4
28  B4R0.2  CCCCO YMDB01386 [0,1,0,0,0,0|1,1,1]=4
29  B4R0.2  CCOC=O YMDB01684 [0,1,0,0,0,0|1,1,1]=4
30  B4R0.2  CCSCC YMDB01672 [0,1,0,0,0,0|2,0,1]=4
31  B4R0.2  CSCCO YMDB01590 [0,1,0,0,0,0|1,1,1]=4
32  B4R0.2  CSCSC YMDB01436 [0,1,0,0,0,0|1,0,2]=4
33  B4R0.2  CSSSC YMDB01438 [0,1,0,0,0,0|2,0,1]=4
34  B4R0.2  NCCC=O YMDB00048 [0,1,0,0,0,0|1,1,1]=4
35  B4R0.2  NCCCN YMDB00042 [0,1,0,0,0,0|2,0,1]=4
36  B4R0.2  OCCCO YMDB02312 [0,1,0,0,0,0|1,1,1]=4
37  B1R0.1  C=O YMDB00321 [2,0,0,0,0,0|0,1,1]=4
38  B1R0.1  CS YMDB00062 [2,0,0,0,0,0|0,0,1]=3
39  B1R0.1  O=O YMDB00900 [2,0,0,0,0,0|1,1,0]=4
40  B1R0.1  OO YMDB00888 [2,0,0,0,0,0|1,1,0]=4
41  B1R0.1  [C-]#N YMDB00074 [2,0,0,0,0,0|0,0,2]=4
42  B1R0.1  [N]=O YMDB00982 [2,0,0,0,0,0|0,1,1]=4
43  B1R0.1  [O][O-] YMDB00372 [2,0,0,0,0,0|1,1,0]=4
44  B3R0.2  CC(=O)O YMDB00056 [1,1,0,0,0,0|0,1,1]=4
45  B3R0.2  CC(C)O YMDB01718 [1,1,0,0,0,0|0,1,1]=4
46  B3R0.2  CC(N)=O YMDB01563 [1,1,0,0,0,0|0,1,1]=4
47  B5R0.1  CCCC([O-])=S YMDB01781 [0,2,0,0,0,0|1,0,1]=4