0  B5R0.5  CC(C)C(=N)N 4034735 [0,0,0,0,0,0|3,0,1]=4
1  B5R0.5  CC(C)C(=N)N 4088764 [0,0,0,0,0,0|3,0,1]=4
2  B5R0.5  CC(O)C(=N)N 4048497 [0,0,0,0,0,0|2,0,2]=4
3  B4R0.1  CC(=O)CN 4035253 [1,0,0,0,0,0|1,0,1]=3
4  B4R0.1  CCC(=N)N 4012617 [1,0,0,0,0,0|2,0,1]=4
5  B4R0.1  CCC(=N)N 4090083 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.3  CC(C)C(=O)NN 3015435 [0,1,0,0,0,0|2,0,1]=4
7  B6R0.3  CN(C)C(=O)CN 4029380 [0,1,0,0,0,0|2,0,0]=3
8  B6R0.3  CN(C)C(=O)CO 4033769 [0,1,0,0,0,0|2,0,0]=3
9  B6R0.3  CNC(=O)C(C)Cl 4026929 [0,1,0,0,0,0|1,0,1]=3
10  B6R0.3  CNC(=O)C(C)N 4033710 [0,1,0,0,0,0|1,0,1]=3
11  B6R0.3  CNC(C)C(N)=O 4031071 [0,1,0,0,0,0|2,0,1]=4
12  B6R0.3  COC(C)C(=O)O 4020866 [0,1,0,0,0,0|1,0,2]=4
13  B6R0.3  CSC(C)C(=O)O 4034068 [0,1,0,0,0,0|1,1,1]=4
14  B6R0.3  NC(=O)\C(N)=N\O 4045328 [0,1,0,0,0,0|2,0,1]=4
15  B6R0.7  CC(C)(N)C(N)=O 4029572 [0,1,0,0,0,0|2,0,1]=4
16  B6R0.2  NC(=O)CC(=O)O 4027194 [0,0,0,0,0,1|2,0,0]=3
17  B5R0.1  NC(=O)CCO 4070037 [1,1,0,0,0,0|1,0,1]=4
18  B5R0.1  NCCC(N)=O 4034723 [1,1,0,0,0,0|1,0,1]=4
19  B5R0.3  CNC(=O)CBr 4023689 [1,1,0,0,0,0|1,0,0]=3
20  B5R0.3  CNC(=O)CCl 4031514 [1,1,0,0,0,0|1,0,0]=3
21  B5R0.3  CNC(=O)CN 4030580 [1,1,0,0,0,0|1,0,0]=3
22  B5R0.3  CNC(=O)CO 4032781 [1,1,0,0,0,0|1,0,0]=3
23  B7R0.2  CC(C)NC(=O)CBr 4023681 [0,1,0,0,0,1|1,0,1]=4
24  B7R0.2  CC(C)NC(=O)CN 4030242 [0,1,0,0,0,1|1,0,1]=4
25  B7R0.2  CC(C)NC(=O)CN 4091078 [0,1,0,0,0,1|1,0,1]=4
26  B7R0.2  CCC(C)CC(C)=O 4031282 [0,1,0,0,0,1|1,0,1]=4
27  B7R0.2  CCN(C)CC(C)=O 4028374 [0,1,0,0,0,1|2,0,0]=4
28  B7R0.2  CCN(C)CC(C)=O 4088950 [0,1,0,0,0,1|2,0,0]=4
29  B7R0.2  CNC(=O)CC(=N)N 4043145 [0,1,0,0,0,1|2,0,0]=4
30  B7R0.2  CNC(=O)CC(=O)O 4027258 [0,1,0,0,0,1|1,0,0]=3
31  B7R0.2  COC(=O)CC(=N)N 4042869 [0,1,0,0,0,1|2,0,0]=4
32  B7R0.16  CC(=O)C(=O)N(C)C 4051999 [0,1,0,0,0,1|2,0,0]=4
33  B7R0.5  CC(=O)N(C)CCO 4036108 [0,2,0,0,0,0|1,0,1]=4
34  B7R0.5  CCNC(=O)C(C)Cl 4028638 [0,2,0,0,0,0|1,0,1]=4
35  B7R0.5  CN(C)C(=O)CCCl 4027165 [0,2,0,0,0,0|2,0,0]=4
36  B7R0.5  CN(C)C(=O)CCN 4033580 [0,2,0,0,0,0|2,0,0]=4
37  B7R0.5  CN(C)C(=O)CCO 4035245 [0,2,0,0,0,0|2,0,0]=4
38  B7R0.10  CCC(N)C(=O)NC 4033837 [0,2,0,0,0,0|1,0,1]=4
39  B7R0.10  CCN(C)C(=O)CCl 4027839 [0,2,0,0,0,0|2,0,0]=4
40  B7R0.10  CNC(=O)C(C)CN 4035379 [0,2,0,0,0,0|1,0,1]=4
41  B7R0.10  CNC(=O)C(C)NC 4034384 [0,2,0,0,0,0|1,0,1]=4
42  B7R0.10  CNC(=O)\C(N)=N/O 4045634 [0,2,0,0,0,0|1,0,1]=4
43  B7R0.10  CNC(C)C(=O)OC 4044238 [0,2,0,0,0,0|1,0,1]=4
44  B7R0.10  COC(=O)C(=O)NN 4035403 [0,2,0,0,0,0|1,0,0]=3
45  B7R0.10  COC(=O)C(C)CN 4052567 [0,2,0,0,0,0|1,0,1]=4
46  B7R0.14  CC(C)(C)C(=O)CN 4030730 [0,2,0,0,0,0|1,0,1]=4
47  B7R0.14  CNC(=O)C(C)(C)N 4033252 [0,2,0,0,0,0|1,0,1]=4
48  B7R1.2  CC1=NN=C(C)N1 4030190 [0,0,0,1,0,1|2,0,0]=4
49  B7R1.20  CC(=O)CC1CC1 4002838 [0,0,0,1,0,1|1,0,1]=4
50  B7R1.4  NC1CCNC1=O 4110613 [0,1,0,1,0,0|1,0,1]=4
51  B7R0.6  CC(=O)CCN(C)C 4090669 [0,0,0,0,0,2|2,0,0]=4
52  B7R0.6  CC(=O)CCN(C)C 5108147 [0,0,0,0,0,2|2,0,0]=4