0  B7R1.2  CC1=NN=C(N)O1 4013100 [0,0,0,0,0,0|4,0,0]=4
1  B7R1.2  CC1=NN=C(O)O1 4040622 [0,0,0,0,0,0|3,0,1]=4
2  B7R1.2  CC1=NN=C(S)O1 4110496 [0,0,0,0,0,0|3,1,0]=4
3  B7R1.2  CC1CNC(=O)C1 4026755 [0,0,0,0,0,0|3,0,1]=4
4  B7R1.2  CC1CNC(=O)O1 4043936 [0,0,0,0,0,0|2,0,1]=3
5  B7R1.2  CC1COC(=O)N1 4045335 [0,0,0,0,0,0|3,0,1]=4
6  B7R1.2  O=C1NN=C(Cl)N1 4039793 [0,0,0,0,0,0|4,0,0]=4
7  B6R1.2  BrC1=NC=CO1 4039122 [1,0,0,0,0,0|2,0,1]=4
8  B6R1.2  NC1=NN=CO1 4044829 [1,0,0,0,0,0|3,0,0]=4
9  B6R1.2  O=C1NC=CN1 4029600 [1,0,0,0,0,0|2,0,1]=4
10  B6R1.2  OC1=NN=CO1 4044051 [1,0,0,0,0,0|2,0,1]=4
11  B8R1.1  NCC1CCC(=O)N1 4110532 [0,1,0,0,0,0|2,0,1]=4
12  B8R1.1  O=C1CCC(CBr)O1 4085450 [0,1,0,0,0,0|1,0,1]=3
13  B8R1.1  O=C1CCC(CI)N1 4110716 [0,1,0,0,0,0|2,0,1]=4
14  B8R1.18  CC1=C(C)OC(=O)N1 4044048 [0,1,0,0,0,0|2,0,1]=4
15  B8R1.50  CN1C(=O)CNC1=O 4048943 [0,1,0,0,0,0|2,0,0]=3
16  B8R1.51  CC1(C)CCC(=O)C1 4042132 [0,1,0,0,0,0|2,0,1]=4
17  B8R1.51  O=C1CCS(=O)(=O)C1 4021927 [0,1,0,0,0,0|2,0,0]=3
18  B6R0.2  NC(=O)CC(=O)O 4027194 [0,0,1,0,0,0|3,0,0]=4
19  B6R0.4  CNCCC(=O)O 4036102 [0,0,1,0,0,0|2,0,0]=3
20  B6R0.4  CNCCC(N)=O 4029061 [0,0,1,0,0,0|3,0,0]=4
21  B6R0.4  COCCC(C)=O 4022132 [0,0,1,0,0,0|3,0,0]=4
22  B6R0.4  NC(=O)CCCCl 4028442 [0,0,1,0,0,0|2,0,1]=4
23  B8R1.3  CC1=NNC(=O)CC1 3003063 [0,0,0,0,0,1|2,0,0]=3
24  B8R1.3  O=C1CCC(O)CC1 4029093 [0,0,0,0,0,1|1,0,2]=4
25  B8R1.4  CC1CCCC(=O)N1 4027532 [0,0,0,0,0,1|2,0,1]=4
26  B8R1.4  CC1COCC(=O)N1 4028237 [0,0,0,0,0,1|2,0,1]=4
27  B8R1.4  C[C@@H]1CNCC(=O)N1 4054334 [0,0,0,0,0,1|2,0,1]=4
28  B8R1.4  C[C@H]1CNCC(=O)N1 4108180 [0,0,0,0,0,1|2,0,1]=4
29  B8R1.4  O=C1CNCC(=O)N1 4041602 [0,0,0,0,0,1|1,0,0]=2
30  B8R1.4  O=C1COCC(=O)N1 4045755 [0,0,0,0,0,1|1,0,0]=2
31  B5R0.1  C#CCC(=O)O 4035749 [1,0,1,0,0,0|0,0,2]=4
32  B5R0.1  NC(=O)CCO 4070037 [1,0,1,0,0,0|1,0,1]=4
33  B5R0.1  NCCC(N)=O 4034723 [1,0,1,0,0,0|2,0,0]=4
34  B5R1.1  C1CNOC1 4013261 [2,0,0,0,0,0|1,0,1]=4
35  B7R0.2  CNC(=O)CC(=O)O 4027258 [0,1,1,0,0,0|2,0,0]=4
36  B7R0.7  CCOC(=O)CCO 4040900 [0,1,1,0,0,0|1,0,1]=4
37  B7R0.4  C=CCSCC(=O)O 4026839 [0,1,1,0,0,0|1,0,0]=3
38  B7R0.4  CCCOCC(=O)O 4020861 [0,1,1,0,0,0|1,0,1]=4
39  B7R0.4  CCCSCC(=O)O 4028731 [0,1,1,0,0,0|1,0,1]=4
40  B7R0.4  CCSCCC(=O)O 4028457 [0,1,1,0,0,0|1,0,1]=4
41  B7R1.4  NC1CCNC1=O 4110613 [1,1,0,0,0,0|1,0,1]=4
42  B9R1.66  O=C1CS(=O)(=O)CCN1 4045777 [0,1,0,0,0,1|2,0,0]=4
43  B9R1.37  CC1NC(=O)N(C)C1=O 4045797 [0,2,0,0,0,0|2,0,0]=4