0  B9R1.13  O=C(O)CC1=CCCC1 4042684 [0,0,0,0,0,0|2,0,2]=4
1  B9R1.13  O=C(O)CN1C=NC=N1 2402315 [0,0,0,0,0,0|4,0,0]=4
2  B8R1.8  CNCC1=CC=CS1 4087952 [1,0,0,0,0,0|1,1,0]=3
3  B8R1.8  CNCC1=CC=NN1 4088708 [1,0,0,0,0,0|3,0,0]=4
4  B8R1.8  CNCC1=CSC=N1 4088415 [1,0,0,0,0,0|3,0,0]=4
5  B8R1.8  CNCC1=NC=CN1 4088413 [1,0,0,0,0,0|3,0,0]=4
6  B8R1.8  CNCC1=NC=CS1 4090726 [1,0,0,0,0,0|2,1,0]=4
7  B8R1.8  CNCC1=NOC=C1 2102254 [1,0,0,0,0,0|3,0,0]=4
8  B8R1.8  NCCC1=CC=CO1 4087953 [1,0,0,0,0,0|1,0,1]=3
9  B8R1.8  NCCC1=CC=CS1 3020071 [1,0,0,0,0,0|1,1,1]=4
10  B8R1.8  NNCC1=CC=CS1 4088418 [1,0,0,0,0,0|2,1,0]=4
11  B8R1.8  OCCC1=CC=CO1 4039978 [1,0,0,0,0,0|0,0,2]=3
12  B10R1.27  NCC(=O)NC1=NC=CS1 4089279 [0,1,0,0,0,0|2,1,0]=4
13  B10R1.54  CC1=CN(CC(=O)O)N=C1 4089617 [0,1,0,0,0,0|3,0,0]=4
14  B10R1.54  CN1C=CC(CC(=O)O)=C1 4400835 [0,1,0,0,0,0|3,0,0]=4
15  B8R1.7  N=C(N)C1=CC=CO1 4088503 [0,0,0,0,1,0|2,0,0]=3
16  B10R1.18  CC(=O)CC1=CC=CN=C1 4090943 [0,0,0,0,0,1|1,0,0]=2
17  B10R1.18  CC(N)CC1=CC=CC=N1 4000001 [0,0,0,0,0,1|2,0,1]=4
18  B10R1.18  CC(N)CC1=CC=NC=C1 4002036 [0,0,0,0,0,1|2,0,1]=4
19  B10R1.18  N=C(N)CC1=CC=CN=C1 4089686 [0,0,0,0,0,1|3,0,0]=4
20  B10R1.18  N=C(N)CC1=NC=CC=C1 4088302 [0,0,0,0,0,1|3,0,0]=4
21  B10R1.66  CC(=O)CCN1C=NC=N1 5358049 [0,0,0,0,0,1|3,0,0]=4
22  B7R1.1  C#CC1=CC=CO1 4045318 [2,0,0,0,0,0|0,0,2]=4
23  B7R1.1  CCN1C=CC=N1 3020409 [2,0,0,0,0,0|2,0,0]=4
24  B7R1.1  O=CC1=CC=NS1 4030495 [2,0,0,0,0,0|1,1,0]=4
25  B9R1.7  CNCC1=CC(C)=NO1 4089254 [1,1,0,0,0,0|2,0,0]=4
26  B9R1.35  CC1=CC=C(C(=N)N)O1 4090997 [0,1,0,0,1,0|2,0,0]=4
27  B9R1.35  CC1=CC=C(C(=O)O)S1 3001579 [0,1,0,0,1,0|1,1,0]=4
28  B9R1.35  O=C(O)C1=CC(Br)=CS1 3013954 [0,1,0,0,1,0|1,1,0]=4
29  B9R1.41  CC1=C(C(=O)O)OC=N1 4401487 [0,1,0,0,1,0|2,0,0]=4
30  B9R1.41  CC1=C(C(=O)O)SC=C1 3020058 [0,1,0,0,1,0|1,1,0]=4
31  B9R1.41  CN1C=CC=C1C(=O)O 3020106 [0,1,0,0,1,0|2,0,0]=4
32  B11R1.157  CC1=CC(CC(=O)O)=NC=C1 4079088 [0,1,0,0,0,1|2,0,0]=4
33  B11R1.25  CNC(C)CCC1=CC=CO1 3020258 [0,1,0,0,0,1|1,0,1]=4
34  B11R1.90  CN1C=CC=C1CCC(=O)O 4043736 [0,1,0,0,0,1|2,0,0]=4
35  B11R1.39  CNC(=O)CN1C=C(N)C=N1 4033088 [0,2,0,0,0,0|2,0,0]=4
36  B9R1.8  CNCC1=CC=NC=C1 3002392 [1,0,0,0,0,1|2,0,0]=4