0  B9R1.37  CC1C(=C(C(=O)O1)O)O CB11384 [0,0,0,0,0,0|1,0,0]=1
1  B9R1.37  Cc1c(c(n(n1)C)C)Br AB02192 [0,0,0,0,0,0|4,0,0]=4
2  B8R1.18  CC1C(=NC(=N1)Cl)C AB54802 [1,0,0,0,0,0|3,0,0]=4
3  B8R1.18  CC1C(=NC(=N1)N)C AB54790 [1,0,0,0,0,0|3,0,0]=4
4  B8R1.18  CC1C(=O)NC(=O)O1 AB26261 [1,0,0,0,0,0|2,0,0]=3
5  B8R1.18  Cc1c(oc(n1)N)C AB25421 [1,0,0,0,0,0|2,0,1]=4
6  B8R1.50  C1CC(=O)N(C1=O)O AB00437 [1,0,0,0,0,0|3,0,0]=4
7  B8R1.50  CC1C(=C(N=N1)N)C AB44284 [1,0,0,0,0,0|3,0,0]=4
8  B8R1.50  Cc1c(c(on1)C)Br PB14113 [1,0,0,0,0,0|3,0,0]=4
9  B8R1.50  Cc1c(c(on1)C)I AB04361 [1,0,0,0,0,0|3,0,0]=4
10  B8R1.50  Cc1c(cnn1C)Br AB51571 [1,0,0,0,0,0|3,0,0]=4
11  B8R0.2  CCC(C)C(C(=O)O)Br CB10117 [0,0,1,0,0,0|1,0,2]=4
12  B10R1.22  Cc1cc(nc(c1C)O)O AB21779 [0,0,0,0,0,1|1,0,2]=4
13  B7R0.2  C\C(=C\C(=O)C)\OC AB70394 [1,0,1,0,0,0|2,0,0]=4
14  B7R0.5  CCOC(=O)C(=O)N AB00911 [1,0,1,0,0,0|1,0,1]=4
15  B7R0.5  CCOC(=O)C(=S)N PB24589 [1,0,1,0,0,0|1,1,0]=4
16  B7R0.7  CCOC(=O)C#CC AB01182 [1,0,1,0,0,0|0,0,2]=4
17  B7R1.2  C1C(=CC(=O)N1)Br CB11702 [2,0,0,0,0,0|2,0,0]=4
18  B7R1.2  Cc1cc(on1)N MB00134 [2,0,0,0,0,0|2,0,0]=4
19  B7R1.2  Cc1ccc(o1)Br AB64979 [2,0,0,0,0,0|1,0,1]=4
20  B7R1.4  C1COC(=O)[C@@H]1O MB00930 [2,0,0,0,0,0|0,0,2]=4
21  B7R1.4  CC1=C(C=NC1)C PB27606 [2,0,0,0,0,0|2,0,0]=4
22  B7R1.4  CC1C(=NC=N1)C AB09621 [2,0,0,0,0,0|2,0,0]=4
23  B7R1.4  Cc1c(cco1)N AB71442 [2,0,0,0,0,0|1,0,1]=4
24  B7R1.4  Cc1c(con1)N MB11367 [2,0,0,0,0,0|2,0,0]=4
25  B7R1.4  Cc1c(ocn1)C AB63543 [2,0,0,0,0,0|1,0,1]=4
26  B9R0.35  CCCC(=O)C(=O)OCC AB25061 [0,1,1,0,0,0|0,0,2]=4
27  B9R0.35  CCOC(=N)C(=O)OCC AB60910 [0,1,1,0,0,0|1,0,1]=4
28  B9R0.35  CCOC(=O)\C(=C\C=O)\Br AB70320 [0,1,1,0,0,0|1,0,1]=4
29  B9R0.37  CCOC(=O)\C(=N/O)\C#N AB02983 [0,1,1,0,0,0|1,0,1]=4
30  B9R1.27  CCC1=C(CNC1=O)C AB04375 [1,1,0,0,0,0|2,0,0]=4
31  B9R1.132  CC1=C(C(=NC1)C=O)C PB21628 [1,1,0,0,0,0|2,0,0]=4
32  B9R1.41  Cc1c(ocn1)C(=O)O MB01897 [0,0,1,1,0,0|1,0,1]=4
33  B9R1.41  Cc1ccoc1C(=O)O AB01137 [0,0,1,1,0,0|0,0,2]=4
34  B9R1.34  Cc1cc([nH]c(=O)c1)O PB33379 [1,0,0,0,0,1|1,0,1]=4