0  B5R0.5  CC(N)C(=O)O a05624 [0,0,0,0,0,0|1,0,0]=1
1  B5R0.5  CC(O)C(N)=O a02586 [0,0,0,0,0,0|1,0,0]=1
2  B4R0.1  CSC(=N)N c07933 [1,0,0,0,0,0|3,0,0]=4
3  B6R0.3  COC(C)C(N)=O c01805 [0,1,0,0,0,0|1,0,0]=2
4  B6R0.3  NC(CO)C(=O)O a05622 [0,1,0,0,0,0|1,0,0]=2
5  B6R0.3  NC(CS)C(=O)O a05621 [0,1,0,0,0,0|1,0,0]=2
6  B6R0.3  NC(CS)C(=O)O a05623 [0,1,0,0,0,0|1,0,0]=2
7  B6R0.3  N[C@@H](CS)C(=O)O e00655 [0,1,0,0,0,0|1,0,0]=2
8  B6R0.2  CC(=O)NC(N)=O e00904 [0,0,0,0,0,1|1,0,2]=4
9  B3R0.1  O=CC=O c08615 [2,0,0,0,0,0|0,0,2]=4
10  B5R0.1  CCOC(C)=N e00765 [1,1,0,0,0,0|2,0,0]=4
11  B5R0.1  CCOC(N)=O e00601 [1,1,0,0,0,0|1,0,0]=3
12  B5R0.1  O=C(O)CCCl c08426 [1,1,0,0,0,0|0,0,0]=2
13  B5R0.3  CNC(=O)CBr c03477 [1,1,0,0,0,0|2,0,0]=4
14  B5R0.3  COC(C)CN c04117 [1,1,0,0,0,0|1,0,1]=4
15  B7R0.2  CC(C)NC(=O)CBr c03463 [0,1,0,0,0,1|2,0,0]=4
16  B7R0.9  CC(C)(C)CC(N)=O c07249 [0,1,0,0,0,1|2,0,0]=4
17  B7R0.10  COC(C)C(=O)NN c03070 [0,2,0,0,0,0|1,0,0]=3
18  B7R0.14  CNC(=O)C(C)(C)C c07380 [0,2,0,0,0,0|2,0,0]=4
19  B7R0.15  CCC(OC)C(N)=O c02412 [0,2,0,0,0,0|1,0,0]=3
20  B7R0.17  CC(C)(O)C(C)(C)O c08150 [0,2,0,0,0,0|1,0,1]=4
21  B7R1.22  NNC(=O)C1CC1 a00386 [0,1,0,1,0,0|2,0,0]=4