0  B5R0.3  CCC(=O)NN B015434 [0,0,0,0,0,0|3,0,1]=4
1  B5R0.3  CC\C(N)=N\O B030359 [0,0,0,0,0,0|2,0,1]=3
2  B4R0.1  NCC(F)F B028561 [1,0,0,0,0,0|3,0,0]=4
3  B4R0.1  OCC(F)F B019710 [1,0,0,0,0,0|2,0,0]=3
4  B6R0.1  CCC(C)N=C=S B016332 [0,1,0,0,0,0|0,1,1]=3
5  B6R0.1  CCNC(C)CO B039551 [0,1,0,0,0,0|0,0,0]=1
6  B6R0.1  CNC(C)CCO B039563 [0,1,0,0,0,0|1,0,0]=2
7  B6R0.3  CC(CN)N(C)C B039581 [0,1,0,0,0,0|2,0,0]=3
8  B6R0.8  C#CC(C)(C)OC B050213 [0,1,0,0,0,0|2,0,1]=4
9  B6R0.8  C#CC(C)(N)CC B048725 [0,1,0,0,0,0|1,0,1]=3
10  B6R0.8  C#CC(C)(N)CC B049751 [0,1,0,0,0,0|1,0,1]=3
11  B6R0.8  C#CC(C)(O)CC B048853 [0,1,0,0,0,0|1,0,1]=3
12  B5R0.1  CC(N)CCO B039558 [1,1,0,0,0,0|1,0,0]=3
13  B5R0.4  C#CC(C)(C)N B048516 [1,1,0,0,0,0|0,0,2]=4
14  B5R0.4  C#CC(C)(C)N B049750 [1,1,0,0,0,0|0,0,2]=4
15  B5R0.2  CCSCCO B049702 [1,1,0,0,0,0|0,0,0]=2
16  B7R0.2  CC(CO)CN(C)C B039565 [0,2,0,0,0,0|0,0,0]=2
17  B7R0.3  CCN(C)CCCO B039576 [0,2,0,0,0,0|1,0,0]=3
18  B7R0.5  CC(CCN)N(C)C B039557 [0,2,0,0,0,0|2,0,0]=4
19  B7R0.5  CC(CCO)N(C)C B039575 [0,2,0,0,0,0|1,0,0]=3
20  B7R0.7  CCNC(C)CCO B039584 [0,2,0,0,0,0|0,0,0]=2
21  B7R0.7  O=S(CCO)CCO B048617 [0,2,0,0,0,0|2,0,0]=4
22  B7R0.11  C#CC(C)(O)CCC B049584 [0,2,0,0,0,0|1,0,1]=4
23  B7R0.16  CC(C(=O)O)N(C)C B039606 [0,2,0,0,0,0|1,0,1]=4
24  B5R1.3  NCC1CC1 B041362 [1,0,0,1,0,0|1,0,0]=3
25  B7R1.3  NC1CCCOC1 B049073 [0,1,0,1,0,0|1,0,0]=3
26  B7R1.3  NC1CCOCC1 B050801 [0,1,0,1,0,0|1,0,0]=3
27  B7R1.4  N[C@@H]1CSC[C@H]1O B050646 [0,1,0,1,0,0|1,0,0]=3
28  B7R1.14  CC1(C)CCCN1 B039503 [0,1,0,1,0,0|2,0,0]=4