0  B5R0.2  CCSCCO B049702 [0,0,0,0,0,0|2,0,0]=2
1  B6R0.1  CCC(C)N=C=S B016332 [0,1,0,0,0,0|2,0,1]=4
2  B6R0.1  CCNC(C)CO B039551 [0,1,0,0,0,0|2,0,0]=3
3  B6R0.1  CNC(C)CCO B039563 [0,1,0,0,0,0|2,0,0]=3
4  B6R0.1  COCC(=O)NN B015437 [0,1,0,0,0,0|2,0,1]=4
5  B5R0.1  CC(N)CCO B039558 [1,1,0,0,0,0|1,0,0]=3
6  B5R0.3  CCC(=O)NN B015434 [1,1,0,0,0,0|1,0,1]=4
7  B7R0.2  CC(CO)CN(C)C B039565 [0,2,0,0,0,0|2,0,0]=4
8  B7R0.3  CCN(C)CCCO B039576 [0,2,0,0,0,0|1,0,0]=3
9  B7R0.3  CNCCC(=O)NC B039605 [0,2,0,0,0,0|1,0,1]=4
10  B7R0.5  CC(CCN)N(C)C B039557 [0,2,0,0,0,0|1,0,0]=3
11  B7R0.5  CC(CCO)N(C)C B039575 [0,2,0,0,0,0|2,0,0]=4
12  B7R0.7  CCNC(C)CCO B039584 [0,2,0,0,0,0|1,0,0]=3
13  B7R0.7  CCOC(=O)CNN B020270 [0,2,0,0,0,0|1,0,1]=4
14  B7R0.7  O=S(CCO)CCO B048617 [0,2,0,0,0,0|2,0,0]=4
15  B7R0.11  C#CC(C)(O)CCC B049584 [0,2,0,0,0,0|1,0,1]=4
16  B7R0.11  CNS(=O)(=O)CCN B050559 [0,2,0,0,0,0|2,0,0]=4
17  B7R0.4  COCCNC(N)=S B039010 [0,2,0,0,0,0|1,0,1]=4
18  B7R0.6  CC(C)CNC(C)C B039560 [0,2,0,0,0,0|2,0,0]=4
19  B7R0.1  CCCCSCCO B049703 [0,2,0,0,0,0|1,0,0]=3
20  B5R1.3  NCC1CC1 B041362 [1,0,0,1,0,0|0,0,0]=2
21  B7R1.3  NC1CCCOC1 B049073 [0,1,0,1,0,0|0,0,0]=2
22  B7R1.3  NC1CCOCC1 B050801 [0,1,0,1,0,0|0,0,0]=2
23  B7R1.4  N[C@@H]1CSC[C@H]1O B050646 [0,1,0,1,0,0|1,0,0]=3
24  B7R1.22  NNC(=O)C1CC1 B014982 [0,1,0,1,0,0|1,0,1]=4
25  B7R1.14  CC1(C)CCCN1 B039503 [0,1,0,1,0,0|0,0,0]=2