0  B7R0.6  C(=C/C(=O)[O-])/C(=O)[O-] MB00769 [0,0,0,0,0,0|4,0,0]=4
1  B7R0.6  CC(=O)CNC(=O)C AB02398 [0,0,0,0,0,0|3,0,1]=4
2  B7R0.6  CC(=O)NCC(=O)O AB00351 [0,0,0,0,0,0|3,0,1]=4
3  B8R1.3  Cc1ccc(nn1)N PB33947 [0,0,0,1,0,0|3,0,0]=4
4  B8R1.3  c1c(ncc(n1)N)N AB53076 [0,0,0,1,0,0|3,0,0]=4
5  B8R1.3  c1c(nnc(n1)N)Br AB71547 [0,0,0,1,0,0|3,0,0]=4
6  B8R1.3  c1cc(nnc1N)Br PB12750 [0,0,0,1,0,0|3,0,0]=4
7  B8R1.3  c1cc(nnc1N)Cl PB30569 [0,0,0,1,0,0|3,0,0]=4
8  B8R1.3  c1cc(nnc1N)I PB29756 [0,0,0,1,0,0|3,0,0]=4
9  B8R1.23  C1[C@@H](NC1=O)C(=O)O PB27000 [0,0,0,1,0,0|3,0,0]=4
10  B8R1.23  C1[C@H](NC1=O)C(=O)O PB21715 [0,0,0,1,0,0|3,0,0]=4
11  B6R0.2  CC(=O)NC(=N)N AB02893 [0,0,0,0,1,0|2,0,1]=4
12  B7R0.16  C(C(=N)N)(C(=O)N)N AB53459 [0,1,0,0,1,0|2,0,0]=4
13  B7R1.2  C1=C(N=NC1N)N AB60559 [1,0,0,1,0,0|1,0,1]=4
14  B7R1.2  CC1=NN=C(C1)N PB33812 [1,0,0,1,0,0|2,0,0]=4
15  B7R1.2  Cc1[nH]c(nn1)S AB06112 [1,0,0,1,0,0|1,1,0]=4
16  B7R1.2  Cc1nnc(o1)N PB23353 [1,0,0,1,0,0|1,0,1]=4
17  B7R1.2  c1([nH]nc(n1)N)N MB00154 [1,0,0,1,0,0|1,0,1]=4
18  B7R1.2  c1c(sc(n1)N)N AB53268 [1,0,0,1,0,0|1,1,0]=4
19  B7R1.3  c1cc(nnc1)N PB17217 [1,0,0,1,0,0|2,0,0]=4
20  B7R1.3  c1cnnc(n1)N AB00769 [1,0,0,1,0,0|2,0,0]=4
21  B9R1.35  C1=C(N=NC1C(=O)O)N AB09167 [0,0,0,1,0,1|2,0,0]=4
22  B9R1.35  Cc1[nH]c(nn1)C(=O)O AB12749 [0,0,0,1,0,1|2,0,0]=4
23  B9R1.35  Cc1[nH]c(nn1)C(=O)O AB57423 [0,0,0,1,0,1|2,0,0]=4
24  B9R1.35  c1([nH]c(nn1)Br)C(=O)O MB19800 [0,0,0,1,0,1|2,0,0]=4
25  B9R1.35  c1([nH]c(nn1)Cl)C(=O)N MB19805 [0,0,0,1,0,1|1,0,0]=3
26  B9R1.35  c1([nH]c(nn1)Cl)C(=O)O MB09048 [0,0,0,1,0,1|2,0,0]=4
27  B9R1.35  c1([nH]c(nn1)O)C(=O)O AB30461 [0,0,0,1,0,1|1,0,1]=4
28  B9R1.69  c1(c(nnc(n1)N)Br)N AB44313 [0,1,0,1,0,0|2,0,0]=4
29  B9R1.69  c1c(c([nH]c(=O)n1)N)Br MB02162 [0,1,0,1,0,0|2,0,0]=4
30  B5R0.5  CC(C(=O)N)N AB43014 [0,0,0,0,2,0|1,0,1]=4