0  B5R0.3  COC(C)CN c04117 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.3  COC(C)C(N)=O c01805 [0,1,0,0,0,0|1,0,0]=2
2  B6R0.3  NC(CO)C(=O)O a05622 [0,1,0,0,0,0|2,0,0]=3
3  B6R0.3  NC(CS)C(=O)O a05621 [0,1,0,0,0,0|2,0,0]=3
4  B6R0.3  NC(CS)C(=O)O a05623 [0,1,0,0,0,0|2,0,0]=3
5  B6R0.3  N[C@@H](CS)C(=O)O e00655 [0,1,0,0,0,0|2,0,0]=3
6  B6R0.9  CCC(CN)OC c04119 [0,1,0,0,0,0|1,0,1]=3
7  B3R0.1  O=CC=O c08615 [2,0,0,0,0,0|1,0,1]=4
8  B5R0.1  CCOC(C)=N e00765 [1,1,0,0,0,0|1,0,1]=4
9  B5R0.1  CCOC(N)=O e00601 [1,1,0,0,0,0|1,0,1]=4
10  B5R0.1  O=C(O)CCCl c08426 [1,1,0,0,0,0|1,0,1]=4
11  B5R0.5  CC(N)C(=O)O a05624 [1,1,0,0,0,0|1,0,0]=3
12  B5R0.5  CC(O)C(N)=O a02586 [1,1,0,0,0,0|1,0,0]=3
13  B7R0.10  COC(C)C(=O)NN c03070 [0,2,0,0,0,0|1,0,0]=3
14  B7R0.15  CCC(OC)C(N)=O c02412 [0,2,0,0,0,0|0,0,0]=2