0  B5R0.2  CCSCCO B049702 [0,0,0,0,0,0|0,1,0]=1
1  B6R0.1  C#CC(=O)OCC B051748 [0,1,0,0,0,0|1,0,2]=4
2  B6R0.1  CCNC(C)CO B039551 [0,1,0,0,0,0|1,0,0]=2
3  B6R0.1  CNC(C)CCO B039563 [0,1,0,0,0,0|2,0,0]=3
4  B5R0.1  CC(N)CCO B039558 [1,1,0,0,0,0|0,0,0]=2
5  B5R0.3  CC\C(N)=N\O B030359 [1,1,0,0,0,0|1,0,1]=4
6  B7R0.2  CC(CO)CN(C)C B039565 [0,2,0,0,0,0|2,0,0]=4
7  B7R0.3  CCN(C)CCCO B039576 [0,2,0,0,0,0|1,0,0]=3
8  B7R0.5  CC(CCO)N(C)C B039575 [0,2,0,0,0,0|2,0,0]=4
9  B7R0.5  CCOC(=O)C(F)F B020251 [0,2,0,0,0,0|1,0,1]=4
10  B7R0.7  CCNC(C)CCO B039584 [0,2,0,0,0,0|1,0,0]=3
11  B7R0.7  CCOC(=O)CNN B020270 [0,2,0,0,0,0|1,0,1]=4
12  B7R0.7  O=S(CCO)CCO B048617 [0,2,0,0,0,0|0,1,0]=3
13  B7R0.6  CC(C)CNC(C)C B039560 [0,2,0,0,0,0|2,0,0]=4
14  B7R0.1  CCCCSCCO B049703 [0,2,0,0,0,0|0,1,0]=3
15  B5R1.3  NCC1CC1 B041362 [1,0,0,1,0,0|1,0,0]=3
16  B7R1.3  NC1CCCOC1 B049073 [0,1,0,1,0,0|1,0,0]=3
17  B7R1.3  NC1CCOCC1 B050801 [0,1,0,1,0,0|1,0,0]=3
18  B7R1.4  N[C@@H]1CSC[C@H]1O B050646 [0,1,0,1,0,0|0,1,0]=3
19  B7R1.14  CC1(C)CCCN1 B039503 [0,1,0,1,0,0|2,0,0]=4