0  B7R0.6  CC(=O)CCC(C)=O 2118-1-25 [0,0,0,0,0,0|4,0,0]=4
1  B7R0.6  CC(=O)OCC(=O)Cl 2129-5-X0 [0,0,0,0,0,0|4,0,0]=4
2  B7R0.6  CC(C)=NNC(N)=O 4153-1-0A [0,0,0,0,0,0|2,0,1]=3
3  B7R0.6  N=C(N)NCC(=O)O 4156-1-60 [0,0,0,0,0,0|3,0,1]=4
4  B7R0.6  O=C(O)\C=C/C(=O)O 2321-1-07 [0,0,0,0,0,0|4,0,0]=4
5  B7R0.6  O=C([O-])C#CC(=O)O 2522-1-19 [0,0,0,0,0,0|4,0,0]=4
6  B6R0.4  NCCNC(N)=O 4153-5-07 [1,0,0,0,0,0|1,0,2]=4
7  B8R0.9  NCC(=O)CCC(=O)O 4157-5-07 [0,1,0,0,0,0|3,0,0]=4
8  B8R0.9  NCC(=O)NCC(=O)O 4157-1-X3 [0,1,0,0,0,0|2,0,1]=4
9  B8R1.3  CC1=CC=C(N)N=N1 3H30-1-V7 [0,0,0,1,0,0|3,0,0]=4
10  B8R1.3  NC1=CC=C(Br)N=N1 3H30-9-32 [0,0,0,1,0,0|3,0,0]=4
11  B8R1.3  NC1=CC=C(Cl)N=N1 P911-A-70 [0,0,0,1,0,0|3,0,0]=4
12  B8R1.3  NC1=CC=C(I)N=N1 3H30-H-X1 [0,0,0,1,0,0|3,0,0]=4
13  B8R1.3  NC1=NNC(=O)C=C1 4H56-1-CV [0,0,0,1,0,0|2,0,1]=4
14  B8R1.3  O=C1C=CC(=O)N=N1 4H48-1-L0 [0,0,0,1,0,0|2,0,0]=3
15  B8R1.3  O=C1CNC(=O)CN1 4H48-1-Q2 [0,0,0,1,0,0|2,0,1]=4
16  B8R1.3  O=C1N=CC(Br)=CN1 4H48-9-W1 [0,0,0,1,0,0|3,0,0]=4
17  B6R0.2  CC(=O)CC(C)=O 2118-1-01 [0,0,0,0,1,0|3,0,0]=4
18  B6R0.2  CC(=O)NC(=N)N 3153-1-X0 [0,0,0,0,1,0|2,0,1]=4
19  B6R0.2  CC(=O)\C=C(\C)N 4356-1-06 [0,0,0,0,1,0|3,0,0]=4
20  B6R0.2  O=C(O)CC(=O)O 2121-1-05 [0,0,0,0,1,0|3,0,0]=4
21  B7R0.16  NC(=O)C(N)C(N)=O 4148-1-07 [0,1,0,0,1,0|1,0,0]=3
22  B9R0.24  NNC(=O)CCC(=O)NN 4156-1-20 [0,2,0,0,0,0|2,0,0]=4
23  B7R1.2  CC1=NN=C(C)N1 3H32-1-8Z [1,0,0,1,0,0|2,0,0]=4
24  B7R1.2  CC1=NN=C(N)N1 3H30-1-M8 [1,0,0,1,0,0|1,0,0]=3
25  B7R1.2  CC1=NN=C(N)O1 4H30-1-05 [1,0,0,1,0,0|1,0,1]=4
26  B7R1.2  CC1=NN=C(N)S1 7H30-1-Y1 [1,0,0,1,0,0|1,1,0]=4
27  B7R1.2  NC1=NN=C(Br)S1 7H30-9-X1 [1,0,0,1,0,0|1,1,0]=4
28  B7R1.2  NC1=NN=C(S)S1 7H61-1-X7 [1,0,0,1,0,0|0,2,0]=4
29  B7R1.2  NC1=NNC(N)=N1 3H30-1-V4 [1,0,0,1,0,0|1,0,1]=4
30  B7R1.2  O=C1C=CC(=O)N1 4H48-1-T0 [1,0,0,1,0,0|2,0,0]=4
31  B7R1.2  O=C1CCC(=O)N1 4H48-1-N0 [1,0,0,1,0,0|2,0,0]=4
32  B7R1.3  NC1=CC=CN=N1 P911-A-24 [1,0,0,1,0,0|2,0,0]=4
33  B7R1.3  NC1=NC=CN=N1 3H30-1-6N [1,0,0,1,0,0|2,0,0]=4
34  B5R0.5  CC(=O)C(=O)O 2129-1-03 [0,0,0,0,2,0|2,0,0]=4
35  B5R0.5  CC(=O)C(C)=O 2118-1-05 [0,0,0,0,2,0|2,0,0]=4
36  B5R0.5  CC(N)C(N)=O 4158-5-X5 [0,0,0,0,2,0|1,0,1]=4
37  B5R0.5  C[C@H](N)C(N)=O 4148-5-04 [0,0,0,0,2,0|1,0,1]=4
38  B5R0.5  NC(=O)C(N)=O 4148-1-18 [0,0,0,0,2,0|0,0,0]=2
39  B5R0.5  O=C(Cl)C(=O)Cl 2116-4-02 [0,0,0,0,2,0|2,0,0]=4
40  B5R0.5  O=C(O)C(=O)O 2121-1-12 [0,0,0,0,2,0|2,0,0]=4
41  B5R0.5  O=C([O-])C(=O)[O-] 2122-0-00 [0,0,0,0,2,0|2,0,0]=4
42  B5R0.5  O=C([O-])C(=O)[O-] 2122-1-06 [0,0,0,0,2,0|2,0,0]=4
43  B5R0.5  O=C([O-])C(=O)[O-] M068-1-X0 [0,0,0,0,2,0|2,0,0]=4
44  B5R0.5  O=C([O-])C(=O)[O-] M068-1-X1 [0,0,0,0,2,0|2,0,0]=4