0  B4R0.1  CC(=O)NO STR08084 [0,0,0,0,0,0|1,0,2]=3
1  B4R0.1  NCC(=O)O STR01063 [0,0,0,0,0,0|2,0,1]=3
2  B4R0.1  NCC(=O)[O-] AS-19944 [0,0,0,0,0,0|2,0,2]=4
3  B3R0.1  NCCS AS-12111 [1,0,0,0,0,0|1,1,0]=3
4  B5R0.1  CNCC(=O)O STR01554 [0,1,0,0,0,0|2,0,1]=4
5  B5R0.1  NCCC(=O)O STR03358 [0,1,0,0,0,0|2,0,1]=4
6  B5R0.1  NOCC(=O)O AS-67289 [0,1,0,0,0,0|1,0,1]=3
7  B5R0.4  NCP(=O)(O)O DG-0043 [0,1,0,0,0,0|3,0,0]=4
8  B5R0.4  OCC(Br)(Br)Br AS-13076 [0,1,0,0,0,0|2,0,0]=3
9  B5R0.5  O=C(O)C(=O)O STR01359 [0,1,0,0,0,0|1,0,2]=4
10  B5R1.3  ClCC1CO1 HS-0081 [0,0,0,1,0,0|1,0,0]=2
11  B6R0.2  CC(C)CC(=O)O STR08356 [0,2,0,0,0,0|1,0,0]=3
12  B6R0.2  CC(C)CC(N)=O AS-14001 [0,2,0,0,0,0|1,0,1]=4
13  B6R0.2  CC(O)CC(=O)O VS-08544 [0,2,0,0,0,0|0,0,0]=2
14  B6R0.2  CN(C)CC(=O)O STR05828 [0,2,0,0,0,0|2,0,0]=4
15  B6R0.3  CC(CN)C(=O)O BS-12724 [0,2,0,0,0,0|1,0,0]=3
16  B6R0.3  CC[C@@H](N)C(=O)O DS-13951 [0,2,0,0,0,0|1,0,1]=4
17  B6R0.3  NC[C@H](N)C(=O)O DS-10772 [0,2,0,0,0,0|1,0,1]=4
18  B6R0.3  NC[C@H](N)C(=O)O FS-3898 [0,2,0,0,0,0|1,0,1]=4
19  B6R0.3  N[C@@H](CCl)C(=O)O AS-12232 [0,2,0,0,0,0|1,0,1]=4
20  B6R0.3  N[C@@H](CO)C(=O)O STR02557 [0,2,0,0,0,0|1,0,0]=3
21  B6R0.3  N[C@@H](CS)C(=O)O AS-11682 [0,2,0,0,0,0|1,0,1]=4
22  B6R0.5  C[N+](C)(C)CCO FS-3795 [0,2,0,0,0,0|2,0,0]=4
23  B6R0.7  CC(C)(N)C(=O)O AS-15790 [0,2,0,0,0,0|1,0,1]=4
24  B6R0.7  CC(C)(O)C(=O)O STR04462 [0,2,0,0,0,0|0,0,1]=3