0  B6R0.1  CCCC(=O)NN c01412 [0,0,0,0,0,0|2,0,0]=2
1  B6R0.1  CCNC(=O)CBr c03466 [0,0,0,0,0,0|3,0,0]=3
2  B5R0.1  CCOC(C)=N e00765 [1,0,0,0,0,0|2,0,0]=3
3  B5R0.1  CCOC(N)=O e00601 [1,0,0,0,0,0|2,0,0]=3
4  B5R0.1  O=C(O)CCCl c08426 [1,0,0,0,0,0|1,0,0]=2
5  B5R0.3  CNC(=O)CBr c03477 [1,0,0,0,0,0|2,0,0]=3
6  B5R0.3  COC(C)CN c04117 [1,0,0,0,0,0|2,0,1]=4
7  B7R0.2  CC(C)NC(=O)CBr c03463 [0,1,0,0,0,0|3,0,0]=4
8  B7R0.3  CCOCC(=O)NN c03849 [0,1,0,0,0,0|2,0,0]=3
9  B7R0.3  CNCCC(=O)NC c07614 [0,1,0,0,0,0|1,0,0]=2
10  B7R0.10  COC(C)C(=O)NN c03070 [0,1,0,0,0,0|3,0,0]=4
11  B7R1.1  ON=C1CCCC1 a08384 [0,0,0,1,0,0|3,0,0]=4
12  B7R1.3  O=C1CNCCN1 M06540 [0,0,0,1,0,0|2,0,0]=3
13  B7R1.22  NNC(=O)C1CC1 a00386 [0,0,0,1,0,0|2,0,0]=3
14  B6R0.3  COC(C)C(N)=O c01805 [1,1,0,0,0,0|2,0,0]=4
15  B6R0.3  NC(CO)C(=O)O a05622 [1,1,0,0,0,0|1,0,0]=3
16  B6R0.3  NC(CS)C(=O)O a05621 [1,1,0,0,0,0|1,0,0]=3
17  B6R0.3  NC(CS)C(=O)O a05623 [1,1,0,0,0,0|1,0,0]=3
18  B6R0.3  N[C@@H](CS)C(=O)O e00655 [1,1,0,0,0,0|1,0,0]=3
19  B6R0.4  CNCCC(N)=O c07376 [1,1,0,0,0,0|1,0,0]=3
20  B6R0.4  NCCCC(=O)O e00886 [1,1,0,0,0,0|0,0,0]=2
21  B6R0.5  NCCS(=O)(=O)O e00891 [1,1,0,0,0,0|2,0,0]=4
22  B6R0.9  CCC(CN)OC c04119 [1,1,0,0,0,0|1,0,1]=4
23  B8R0.5  CCCC(=O)NC(C)C c03856 [0,2,0,0,0,0|1,0,0]=3
24  B8R0.5  CCOC(=O)CC(=O)[O-] c02712 [0,2,0,0,0,0|1,0,1]=4
25  B8R0.3  CCOC(C)C(=O)NN c03071 [0,2,0,0,0,0|2,0,0]=4
26  B8R0.6  CCCCCC(=O)NN c00917 [0,2,0,0,0,0|2,0,0]=4
27  B8R0.6  CCOCCC(=O)NN c01871 [0,2,0,0,0,0|2,0,0]=4
28  B8R0.6  COCCNC(=O)CBr c03476 [0,2,0,0,0,0|2,0,0]=4
29  B8R0.9  CC(C)OCC(=O)NN c03254 [0,2,0,0,0,0|2,0,0]=4
30  B8R0.9  COC(=O)CCC(=O)O a07404 [0,2,0,0,0,0|0,0,1]=3
31  B8R0.14  CCNC(=O)C(C)(C)C c07362 [0,2,0,0,0,0|2,0,0]=4
32  B8R0.20  CCC(OC)C(=O)NN c03989 [0,2,0,0,0,0|2,0,0]=4
33  B8R1.2  ON=C1CCCCC1 a08383 [0,1,0,1,0,0|1,0,1]=4
34  B8R1.5  CC1NCCNC1=O c06641 [0,1,0,1,0,0|2,0,0]=4
35  B8R1.5  CN1CCNCC1=O c01229 [0,1,0,1,0,0|1,0,0]=3
36  B8R1.38  NNC(=O)C1CCC1 a02091 [0,1,0,1,0,0|2,0,0]=4