0  B6R0.4  CNCCC(=O)O 4088781 [1,0,0,0,0,0|1,0,2]=4
1  B8R1.7  N=C(N)C1=CC=CO1 4088503 [0,0,0,1,0,0|3,0,0]=4
2  B7R1.1  C#CC1=CC=CO1 4045318 [1,0,0,1,0,0|0,0,2]=4
3  B7R1.1  O=CC1=CC=NS1 4030495 [1,0,0,1,0,0|2,0,0]=4
4  B9R1.13  O=C(O)CC1=CCCC1 4042684 [0,1,0,1,0,0|0,0,2]=4
5  B9R1.41  CC1=C(C(=O)O)N=CS1 4043076 [0,1,0,1,0,0|1,0,0]=3
6  B9R1.41  CC1=C(C(=O)O)OC=N1 4401487 [0,1,0,1,0,0|1,0,0]=3
7  B9R1.41  CC1=C(C(=O)O)SC=C1 3020058 [0,1,0,1,0,0|0,0,0]=2
8  B9R1.41  CN1C=CC=C1C(=O)O 3020106 [0,1,0,1,0,0|0,0,0]=2
9  B9R1.41  CN1CC=CC1C(=O)O 4029308 [0,1,0,1,0,0|0,0,2]=4
10  B9R1.41  NC(=O)C1=C(N)SC=C1 3014696 [0,1,0,1,0,0|2,0,0]=4
11  B9R1.41  O=C(O)C1=C(I)C=NN1 3001905 [0,1,0,1,0,0|2,0,0]=4
12  B9R1.2  CC1=CC=CC(NN)=N1 4089071 [0,1,0,1,0,0|2,0,0]=4
13  B9R1.2  CCC1=CC=NC(O)=N1 4043209 [0,1,0,1,0,0|1,0,1]=4
14  B9R1.2  CNC1=CC(Cl)=CC=C1 3020438 [0,1,0,1,0,0|2,0,0]=4
15  B9R1.2  NCC1=NC=CC(O)=C1 4014665 [0,1,0,1,0,0|2,0,0]=4
16  B9R1.11  CCC(=O)C1=CC=CS1 3020389 [0,1,0,1,0,0|2,0,0]=4
17  B9R1.11  N\C(=N/O)C1=CC=CO1 4088090 [0,1,0,1,0,0|2,0,0]=4
18  B9R1.6  CC(=O)C1=NC=CN=C1 3020083 [0,1,0,1,0,0|2,0,0]=4
19  B9R1.6  O=C(O)C1=CCCNC1 4088590 [0,1,0,1,0,0|0,0,2]=4
20  B9R1.35  CC1=CC(C(=O)O)=CS1 3002756 [0,1,0,1,0,0|1,0,0]=3
21  B9R1.35  CC1=CC=C(B(O)O)O1 3200979 [0,1,0,1,0,0|1,0,1]=4
22  B9R1.35  CC1=CC=C(B(O)O)O1 4088928 [0,1,0,1,0,0|1,0,1]=4
23  B9R1.35  CC1=CC=C(C(=N)N)O1 4090997 [0,1,0,1,0,0|2,0,0]=4
24  B9R1.35  CC1=CC=C(C(=O)O)S1 3001579 [0,1,0,1,0,0|0,0,0]=2
25  B9R1.35  CC1=CNC(C(=O)O)=N1 4088804 [0,1,0,1,0,0|1,0,0]=3
26  B9R1.35  CC1=NC(C(=O)O)=CN1 4088219 [0,1,0,1,0,0|1,0,0]=3
27  B9R1.35  CC1=NN=C(C(=O)O)O1 4088445 [0,1,0,1,0,0|2,0,0]=4
28  B9R1.35  CC1=NNC(C(=O)O)=N1 4003911 [0,1,0,1,0,0|2,0,0]=4
29  B9R1.35  CN1N=CC(C(=O)O)=N1 4110789 [0,1,0,1,0,0|2,0,0]=4
30  B9R1.35  O=C(O)C1=CC(Br)=CS1 3013954 [0,1,0,1,0,0|1,0,0]=3
31  B9R1.69  CC1=CC(=O)C(O)=CO1 4045348 [0,1,0,1,0,0|2,0,0]=4
32  B9R1.69  CC1=CN=C(O)N=C1C 4089252 [0,1,0,1,0,0|2,0,0]=4