0  B6R0.3  C=C(NC)C(=O)O DB03920 [0,0,0,0,0,0|4,0,0]=4
1  B6R0.3  CCC(=O)C(=O)O DB04553 [0,0,0,0,0,0|3,0,0]=3
2  B6R0.3  C\C=C(/N)C(=O)O DB03720 [0,0,0,0,0,0|4,0,0]=4
3  B6R0.3  O=C(O)C(=O)CO DB02951 [0,0,0,0,0,0|4,0,0]=4
4  B5R0.1  C\C=C\C(=O)O DB02074 [1,0,0,0,0,0|3,0,0]=4
5  B5R0.5  C=C(N)C(=O)O DB02688 [1,0,0,0,0,0|1,0,0]=2
6  B5R0.5  C=C(N)C(N)=O DB02002 [1,0,0,0,0,0|2,0,0]=3
7  B5R0.5  CC(=O)C(N)=O DB03578 [1,0,0,0,0,0|2,0,0]=3
8  B5R0.5  CC(=O)[C@@H](C)O DB04364 [1,0,0,0,0,0|1,0,1]=3
9  B5R0.5  CC(=O)[C@H](C)O DB02788 [1,0,0,0,0,0|1,0,1]=3
10  B5R0.5  CC(=[NH2+])C(=O)[O-] DB04212 [1,0,0,0,0,0|1,0,1]=3
11  B5R0.5  CC(C)C(=O)O DB02531 [1,0,0,0,0,0|0,0,2]=3
12  B5R0.5  C[C@@H](N)C(=O)O DB01786 [1,0,0,0,0,0|1,0,1]=3
13  B5R0.5  C[C@@H](O)C(=O)O DB03066 [1,0,0,0,0,0|1,0,1]=3
14  B5R0.5  NC(=O)C(=O)O DB03940 [1,0,0,0,0,0|2,0,0]=3
15  B5R0.5  O=C(O)C(=O)O DB03902 [1,0,0,0,0,0|2,0,0]=3
16  B7R0.5  C(C)=CC(=O)C(=O)O DB02005 [0,1,0,0,0,0|3,0,0]=4
17  B7R0.16  CC(C)C(=O)C(=O)O DB04074 [0,1,0,0,0,0|3,0,0]=4
18  B7R1.4  N[C@@H]1CCOC1=O DB02624 [0,0,0,1,0,0|1,0,1]=3
19  B4R0.1  C=C(Br)CO DB04320 [2,0,0,0,0,0|1,0,1]=4
20  B4R0.1  C=CC(=O)O DB02579 [2,0,0,0,0,0|0,0,0]=2
21  B4R0.1  CC(=O)C=O DB03587 [2,0,0,0,0,0|1,0,0]=3
22  B4R0.1  CC(=O)O[Hg+] DB02176 [2,0,0,0,0,0|1,0,0]=3
23  B4R0.1  CCC(N)=O DB04161 [2,0,0,0,0,0|1,0,1]=4
24  B4R0.1  CN(C)C=O DB01844 [2,0,0,0,0,0|1,0,1]=4
25  B4R0.1  C[C@H](O)C=O DB03776 [2,0,0,0,0,0|1,0,1]=4
26  B4R0.1  O=C(O)CBr DB02198 [2,0,0,0,0,0|1,0,1]=4
27  B4R0.1  O=CC(=O)O DB04343 [2,0,0,0,0,0|1,0,0]=3
28  B4R0.2  C\C=C\C=O DB04381 [2,0,0,0,0,0|2,0,0]=4
29  B6R0.7  CC(C)(N)C(=O)O DB02952 [1,1,0,0,0,0|0,0,2]=4
30  B6R1.2  CC1=CNC=C1 DB01932 [1,0,0,1,0,0|1,0,1]=4
31  B8R1.4  O=C1CCNC(=O)N1 DB01849 [0,0,0,1,0,1|2,0,0]=4