0  B8R0.23  C([C@@H](C(=O)O)N)C(Cl)Cl NPA020591 [0,0,0,0,0,0|2,0,1]=3
1  B8R0.23  C=C(C[C@@H](C(=O)O)N)Cl NPA019261 [0,0,0,0,0,0|2,0,0]=2
2  B8R0.23  C=C([C@@H](CC(=O)N)O)Cl NPA024201 [0,0,0,0,0,0|3,0,0]=3
3  B8R0.23  CC(C)CC(C(=O)O)O NPA011422 [0,0,0,0,0,0|3,0,1]=4
4  B7R0.5  C#CC[C@@H](C(=O)O)N NPA021207 [1,0,0,0,0,0|1,0,1]=3
5  B7R0.5  CNC[C@H](N)C(=O)O NPA027398 [1,0,0,0,0,0|2,0,0]=3
6  B7R0.6  C(#CC(=O)N)C(=O)N NPA005011 [1,0,0,0,0,0|1,0,2]=4
7  B7R0.6  C(C(=O)O)N[N+](=O)[O-] NPA021235 [1,0,0,0,0,0|3,0,0]=4
8  B7R0.6  C(C[N+](=O)[O-])C(=O)O NPA007876 [1,0,0,0,0,0|2,0,0]=3
9  B9R0.42  C#C[C@H](C[C@H](C(=O)O)N)O NPA006898 [0,1,0,0,0,0|1,0,2]=4
10  B9R0.42  C([C@@H](C(=O)O)N)C(=O)CO NPA014334 [0,1,0,0,0,0|1,0,0]=2
11  B9R0.42  N[C@@H](C[N+](=NO)[O-])C(=O)O NPA033052 [0,1,0,0,0,0|1,0,2]=4
12  B9R1.35  C1[C@H](CN[C@@H]1C(=O)O)N NPA013918 [0,0,0,1,0,0|1,0,1]=3
13  B9R1.112  C1CC1C[C@@H](C(=O)O)N NPA001566 [0,0,0,1,0,0|2,0,1]=4
14  B9R0.7  C(C[P+](=O)O)C(C(=O)O)N NPA020970 [0,0,0,0,0,1|2,0,0]=3
15  B9R0.7  C=C(CCC(C(=O)O)N)Cl NPA015178 [0,0,0,0,0,1|2,0,0]=3
16  B9R0.7  CC(=C)CC[C@@H](C(=O)O)N NPA018628 [0,0,0,0,0,1|2,0,0]=3
17  B9R0.7  CC(COC(=O)C)C(=O)O NPA012519 [0,0,0,0,0,1|2,0,0]=3
18  B9R0.53  C/C(=C/C(=O)O)/CC(=O)O NPA001141 [0,0,0,0,0,1|2,0,1]=4
19  B6R0.3  CC(CO)C(=O)O NPA011485 [2,0,0,0,0,0|1,0,1]=4
20  B8R0.2  C(C(C(C(=O)N)O)O)O NPA014958 [1,1,0,0,0,0|1,0,1]=4
21  B8R0.8  C(/C=C\Cl)[C@@H](C(=O)O)N NPA006525 [1,1,0,0,0,0|1,0,0]=3
22  B8R0.8  C(CC(C(=O)O)N)CO NPA002021 [1,1,0,0,0,0|0,0,2]=4
23  B8R0.8  C=C/C=C\C(C(=O)O)N NPA009971 [1,1,0,0,0,0|1,0,1]=4
24  B8R0.8  CO/C=C/[C@@H](C(=O)O)N NPA017445 [1,1,0,0,0,0|0,0,2]=4
25  B8R0.9  CCC(=O)CCC(=O)C NPA013026 [1,1,0,0,0,0|2,0,0]=4
26  B10R0.82  C([C@@H](C(=O)O)N)NC(=O)NO NPA003832 [0,1,0,0,0,1|0,0,0]=2
27  B10R0.92  C[As](=O)(O)CCC(N)C(=O)O NPA032834 [0,1,0,0,0,1|2,0,0]=4
28  B10R0.44  C[C@H](CC(=O)O)OC(=O)CO NPA036391 [0,1,0,0,0,1|2,0,0]=4
29  B10R0.119  C(C(=O)O)[C@@](CO)(C(=O)O)O NPA007738 [0,2,0,0,0,0|2,0,0]=4
30  B10R0.26  CCOC(=O)C[C@@H](O)C(=O)O NPA032318 [0,2,0,0,0,0|2,0,0]=4
31  B8R1.31  C1[C@@H]([C@@H](O1)C(=O)O)N NPA020900 [1,0,0,1,0,0|1,0,1]=4