0  B5R0.5  CC(=O)C(F)F B016253 [0,0,0,0,0,0|3,0,0]=3
1  B4R0.1  CSC(=N)N B022644 [1,0,0,0,0,0|3,0,0]=4
2  B4R0.1  NCC(F)F B028561 [1,0,0,0,0,0|2,0,1]=4
3  B4R0.1  OCC(F)F B019710 [1,0,0,0,0,0|2,0,1]=4
4  B6R0.3  CC(CN)N(C)C B039581 [0,1,0,0,0,0|3,0,0]=4
5  B6R0.3  N#CC(N)C(N)=O B048693 [0,1,0,0,0,0|1,0,1]=3
6  B6R0.7  CC(=O)C(C)(C)N B049721 [0,1,0,0,0,0|1,0,0]=2
7  B6R1.11  CC(N)C1CC1 B039284 [0,0,0,1,0,0|2,0,1]=4
8  B5R0.1  C#CCC(=O)O B050921 [1,1,0,0,0,0|0,0,1]=3
9  B5R0.1  CC(N)CCO B039558 [1,1,0,0,0,0|0,0,1]=3
10  B5R0.3  CCC(=O)NN B015434 [1,1,0,0,0,0|1,0,0]=3
11  B5R0.3  CC\C(N)=N\O B030359 [1,1,0,0,0,0|1,0,0]=3
12  B5R0.4  C#CC(C)(C)N B048516 [1,1,0,0,0,0|1,0,1]=4
13  B5R0.4  C#CC(C)(C)N B049750 [1,1,0,0,0,0|1,0,1]=4
14  B7R0.9  O=C(O)CC(F)(F)F B039718 [0,1,0,0,0,1|2,0,0]=4
15  B7R0.16  CC(C(=O)O)N(C)C B039606 [0,1,0,0,0,1|2,0,0]=4
16  B7R0.5  CCOC(=O)C(F)F B020251 [0,2,0,0,0,0|2,0,0]=4
17  B7R1.4  N[C@@H]1CSC[C@H]1O B050646 [0,1,0,1,0,0|0,1,1]=4
18  B7R1.22  NNC(=O)C1CC1 B014982 [0,1,0,1,0,0|2,0,0]=4