0  B6R1.2  CC1=CC=CS1 YMDB01462 [1,0,0,0,0,0|0,1,0]=2
1  B6R1.2  CC1=CSC=N1 YMDB01620 [1,0,0,0,0,0|2,0,0]=3
2  B8R1.1  CC1=CC=C(C=O)O1 YMDB01435 [0,1,0,0,0,0|0,0,1]=2
3  B8R1.1  CC1=CC=C(C=O)S1 YMDB01445 [0,1,0,0,0,0|0,1,1]=3
4  B8R1.1  CC1=CC=C(CS)O1 YMDB01503 [0,1,0,0,0,0|0,0,0]=1
5  B8R1.1  CCC1=CN=C(C)S1 YMDB01509 [0,1,0,0,0,0|1,1,0]=3
6  B8R1.3  CC1=CN=C(C)C=N1 YMDB01598 [0,0,0,0,0,1|2,0,0]=3
7  B8R1.3  O=C1C=CC(=O)C=C1 YMDB00155 [0,0,0,0,0,1|3,0,0]=4
8  B8R1.4  CC1=CC=CC(O)=C1 YMDB01730 [0,0,0,0,0,1|2,0,0]=3
9  B8R1.4  CC1=CN=CC(C)=N1 YMDB01600 [0,0,0,0,0,1|1,0,0]=2
10  B8R1.4  NC1=CC=NC(=O)N1 YMDB00651 [0,0,0,0,0,1|3,0,0]=4
11  B8R1.4  O=C1C=CNC(=O)N1 YMDB00098 [0,0,0,0,0,1|3,0,0]=4
12  B5R0.1  CCOC(C)=O YMDB00569 [1,0,1,0,0,0|1,0,1]=4
13  B5R1.1  C1=CSC=C1 YMDB01792 [2,0,0,0,0,0|0,1,0]=3
14  B7R0.5  C=C(C)C(=O)OCC YMDB01685 [0,1,1,0,0,0|1,0,1]=4
15  B7R0.4  C\C=C\C=C\C(=O)O YMDB01784 [0,1,1,0,0,0|1,0,0]=3
16  B7R0.6  O=C(O)\C=C\C(=O)O YMDB00101 [0,1,1,0,0,0|2,0,0]=4
17  B7R1.1  CCC1=CC=CO1 YMDB01437 [1,1,0,0,0,0|0,0,0]=2
18  B7R1.1  CCC1=NC=CS1 YMDB01505 [1,1,0,0,0,0|1,1,0]=4
19  B7R1.1  CSC1=CSC=C1 YMDB01449 [1,1,0,0,0,0|2,0,0]=4
20  B7R1.1  O=CC1=CC=CO1 YMDB01459 [1,1,0,0,0,0|0,0,1]=3
21  B7R1.1  OCC1=CC=CS1 YMDB01447 [1,1,0,0,0,0|0,1,0]=3
22  B7R1.1  SCC1=CC=CO1 YMDB01433 [1,1,0,0,0,0|0,0,0]=2
23  B7R1.4  CC1=C(S)C=CO1 YMDB01443 [1,1,0,0,0,0|0,0,0]=2
24  B7R1.4  CC1=C(S)C=CS1 YMDB01502 [1,1,0,0,0,0|0,1,0]=3
25  B9R1.1  CCC1=CC=C(O)C=C1 YMDB01617 [0,1,0,0,0,1|2,0,0]=4
26  B9R1.69  CC1=NC(C)=C(C)N=C1 YMDB01442 [0,1,0,0,0,1|2,0,0]=4
27  B9R1.3  CC1=C(O)C(=O)C=CO1 YMDB01601 [0,1,0,0,0,1|2,0,0]=4
28  B9R1.21  CCC1=CSC(CC)=N1 YMDB01511 [0,2,0,0,0,0|2,0,0]=4
29  B9R1.22  CCC1=C(C)N=C(C)O1 YMDB01500 [0,2,0,0,0,0|1,0,0]=3
30  B9R1.22  CCC1=C(C)OC(C)=N1 YMDB01499 [0,2,0,0,0,0|1,0,0]=3
31  B9R1.22  CCC1=C(C)SC(C)=N1 YMDB01506 [0,2,0,0,0,0|1,1,0]=4
32  B9R1.35  CC1=CSC(C(C)C)=N1 YMDB01496 [0,2,0,0,0,0|2,0,0]=4
33  B9R1.35  CC1=NC(C(C)C)=CS1 YMDB01510 [0,2,0,0,0,0|2,0,0]=4
34  B9R1.35  O=C(O)C1=CC=C(O)O1 YMDB02319 [0,2,0,0,0,0|1,0,1]=4
35  B9R1.37  CC1=C(O)C(=O)C(C)O1 YMDB01694 [0,2,0,0,0,0|0,0,1]=3
36  B9R1.37  CC1=C(O)C(=O)OC1C YMDB01572 [0,2,0,0,0,0|1,0,1]=4
37  B7R1.3  CC1=NC=CC=C1 YMDB01458 [0,0,1,1,0,0|1,0,1]=4
38  B5R0.5  CC(=O)C(C)=O YMDB00367 [0,0,1,0,1,0|2,0,0]=4