0  B5R0.1  C(#CBr)C(=O)O bio051 [1,0,0,0,0,0|2,0,1]=4
1  B5R0.1  C(CO)C(=O)N a009de1 [1,0,0,0,0,0|3,0,0]=4
2  B5R0.1  C(CS)C(=O)N jmc099 [1,0,0,0,0,0|3,0,0]=4
3  B5R0.3  C(C(=O)NO)Cl bio034 [1,0,0,0,0,0|3,0,0]=4
4  B7R0.2  CC(C)CC(=O)C=O wh081de6 [0,1,0,0,0,0|3,0,0]=4
5  B7R0.5  CN(C)C(=O)CCO a009 [0,1,0,0,0,0|3,0,0]=4
6  B7R1.2  CC1CNC(=O)N1 a266 [0,0,0,1,0,0|3,0,0]=4
7  B7R1.2  CC1CNC(=O)O1 a266de8 [0,0,0,1,0,0|3,0,0]=4
8  B7R1.22  C1CC1C(=O)C=O wh081de17 [0,0,0,1,0,0|3,0,0]=4
9  B4R0.1  CC(=S)SC un288 [2,0,0,0,0,0|0,1,0]=3
10  B6R0.2  C(C(=O)N)C(=O)O tv001de1 [1,1,0,0,0,0|2,0,0]=4
11  B6R0.4  C(\C=C\C(=O)O)N tj019 [1,1,0,0,0,0|1,0,1]=4
12  B6R0.4  CNCCC(=O)O tv011 [1,1,0,0,0,0|1,0,0]=3
13  B6R0.8  COP(=O)(N)OC un191 [1,1,0,0,0,0|1,1,0]=4
14  B6R0.9  CC\C(=C/C)\C=O fpzz0080fp3 [1,1,0,0,0,0|1,0,0]=3
15  B6R0.9  CC\C(=C\N)\C=O ct360de2lit5 [1,1,0,0,0,0|2,0,0]=4
16  B8R0.5  CCOC(=O)CC(=N)N wh183 [0,2,0,0,0,0|2,0,0]=4
17  B8R0.19  CC\C(=C\C(=O)OC)\C bclit001de5lit5 [0,2,0,0,0,0|1,0,1]=4
18  B8R0.3  COC(=O)[C@H](CSC)N cdp180vp1 [0,2,0,0,0,0|0,0,0]=2
19  B8R0.9  CCC(=O)CCC(=O)C a157 [0,2,0,0,0,0|2,0,0]=4
20  B6R1.11  CC(=O)N1CC1 az013 [1,0,0,1,0,0|2,0,0]=4
21  B8R1.1  CCC1CNC(=O)N1 a266de1 [0,1,0,1,0,0|2,0,0]=4
22  B8R1.1  CCC1CNC(=O)O1 a266de10 [0,1,0,1,0,0|2,0,0]=4
23  B8R1.1  CCC1COC(=O)N1 a266de9 [0,1,0,1,0,0|1,0,0]=3
24  B8R1.18  CC1C(OC(=O)N1)C a266de11 [0,1,0,1,0,0|2,0,0]=4
25  B8R1.40  COC(=O)CN1CC1 az004 [0,1,0,1,0,0|1,0,0]=3
26  B8R1.3  C1C(=O)OCC(=O)N1 ct419 [0,1,0,1,0,0|1,0,1]=4
27  B8R1.3  CC1CNC(=O)NC1 a266de5 [0,1,0,1,0,0|2,0,0]=4
28  B8R1.37  CCOC(=O)N1CC1 az005 [0,1,0,1,0,0|2,0,0]=4
29  B8R1.11  C1COC(=O)C1C#N wh012 [0,1,0,1,0,0|2,0,0]=4