0  B6R0.1  CCNC(=O)OC DB03919 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.1  CCOC(=O)NC DB02856 [0,0,0,0,0,0|2,0,1]=3
2  B5R0.1  CC(=O)CCO DB04094 [1,0,0,0,0,0|1,0,2]=4
3  B5R0.1  CCCC(=O)O DB03568 [1,0,0,0,0,0|1,0,2]=4
4  B5R0.1  CCCC(N)=O DB02121 [1,0,0,0,0,0|1,0,2]=4
5  B5R0.1  CSCC(=O)[O-] DB03517 [1,0,0,0,0,0|2,0,1]=4
6  B5R0.1  CSC[S@](C)=O DB02311 [1,0,0,0,0,0|2,0,1]=4
7  B5R0.1  C[Se]CC(=O)[O-] DB03098 [1,0,0,0,0,0|2,0,1]=4
8  B5R0.1  C[Te]CC(=O)[O-] DB01918 [1,0,0,0,0,0|2,0,1]=4
9  B5R0.1  C\C=C\C(=O)O DB02074 [1,0,0,0,0,0|1,0,0]=2
10  B5R0.2  CCCCC=O DB01919 [1,0,0,0,0,0|1,0,2]=4
11  B5R0.3  O=C(CO)CO DB01775 [1,0,0,0,0,0|2,0,1]=4
12  B7R0.5  C(C)=CC(=O)C(=O)O DB02005 [0,1,0,0,0,0|1,0,1]=3
13  B7R0.7  CCO[PH](=O)OCC DB02811 [0,1,0,0,0,0|2,0,1]=4
14  B7R1.3  O=C1CCCCC1 DB02060 [0,0,0,1,0,0|0,0,2]=3
15  B7R1.4  N[C@@H]1CCOC1=O DB02624 [0,0,0,1,0,0|2,0,1]=4
16  B4R0.1  C=C(Br)CO DB04320 [2,0,0,0,0,0|2,0,0]=4
17  B4R0.1  C=CC(=O)O DB02579 [2,0,0,0,0,0|1,0,0]=3
18  B4R0.1  CC(=O)C=O DB03587 [2,0,0,0,0,0|1,0,0]=3
19  B4R0.1  CC(=O)O[Hg+] DB02176 [2,0,0,0,0,0|2,0,0]=4
20  B4R0.1  CCC(N)=O DB04161 [2,0,0,0,0,0|1,0,0]=3
21  B4R0.1  CC[C@@H](C)O DB02606 [2,0,0,0,0,0|0,0,2]=4
22  B4R0.1  NCC(N)=O DB03636 [2,0,0,0,0,0|2,0,0]=4
23  B4R0.1  O=C(O)CBr DB02198 [2,0,0,0,0,0|2,0,0]=4
24  B4R0.1  O=CC(=O)O DB04343 [2,0,0,0,0,0|2,0,0]=4
25  B4R0.2  C\C=C\C=O DB04381 [2,0,0,0,0,0|0,0,0]=2
26  B4R0.2  O=CCC=O DB03057 [2,0,0,0,0,0|1,0,1]=4
27  B6R0.2  CC(=O)CC(=O)O DB01762 [1,1,0,0,0,0|1,0,1]=4
28  B6R0.3  C=C(NC)C(=O)O DB03920 [1,1,0,0,0,0|2,0,0]=4
29  B6R0.3  CCC(=O)C(=O)O DB04553 [1,1,0,0,0,0|1,0,1]=4
30  B6R0.3  C\C=C(/N)C(=O)O DB03720 [1,1,0,0,0,0|1,0,0]=3
31  B6R0.4  CCCOC(C)=O DB01670 [1,1,0,0,0,0|0,0,2]=4
32  B6R1.2  CC1=CNC=C1 DB01932 [1,0,0,1,0,0|2,0,0]=4
33  B6R1.2  O=C1CCCO1 DB04699 [1,0,0,1,0,0|1,0,1]=4
34  B8R1.4  C[C@H]1CC=CC(=O)O1 DB14121 [0,1,0,1,0,0|0,0,0]=2
35  B8R1.4  O=C1CCNC(=O)N1 DB01849 [0,1,0,1,0,0|2,0,0]=4
36  B8R1.18  [C@H]1(N)CC(O)=NC1=O DB03487 [0,1,0,1,0,0|2,0,0]=4