0  B5R0.2  CCSCCO B049702 [1,0,0,0,0,0|1,0,1]=3
1  B7R0.1  CCCCSCCO B049703 [0,1,0,0,0,0|0,0,2]=3
2  B7R0.3  CCN(C)CCCO B039576 [0,1,0,0,0,0|1,0,2]=4
3  B7R0.7  CCNC(C)CCO B039584 [0,1,0,0,0,0|1,0,2]=4
4  B7R0.7  O=S(CCO)CCO B048617 [0,1,0,0,0,0|2,0,1]=4
5  B7R1.1  CCC1=CC=NO1 B063494 [0,0,0,1,0,0|1,0,1]=3
6  B7R1.1  CCC1=NNC=C1 B063501 [0,0,0,1,0,0|2,0,1]=4
7  B7R1.1  CCN1C=CC=N1 B006762 [0,0,0,1,0,0|2,0,1]=4
8  B7R1.1  CCN1C=CN=C1 B039755 [0,0,0,1,0,0|3,0,0]=4
9  B7R1.1  ClCC1=CC=NO1 B049837 [0,0,0,1,0,0|2,0,1]=4
10  B7R1.1  OCC1=CN=NN1 B049677 [0,0,0,1,0,0|3,0,0]=4
11  B7R1.1  OCC1=CNN=C1 B047363 [0,0,0,1,0,0|2,0,1]=4
12  B7R1.1  OCC1=NNC=C1 B047364 [0,0,0,1,0,0|2,0,1]=4
13  B7R1.3  NC1CCCOC1 B049073 [0,0,0,1,0,0|2,0,1]=4
14  B7R1.4  N[C@@H]1CSC[C@H]1O B050646 [0,0,0,1,0,0|2,0,1]=4
15  B6R0.1  CCNC(C)CO B039551 [1,1,0,0,0,0|1,0,1]=4
16  B6R0.1  CNC(C)CCO B039563 [1,1,0,0,0,0|1,0,1]=4
17  B8R1.2  C#CC1=CCCCC1 B050145 [0,1,0,1,0,0|1,0,1]=4
18  B8R1.2  ClCC1COCCO1 B039648 [0,1,0,1,0,0|1,0,1]=4
19  B8R1.5  NC1CCCNC1=O B039480 [0,1,0,1,0,0|2,0,0]=4
20  B8R1.8  CCCC1=CC=CS1 B046363 [0,1,0,1,0,0|0,1,1]=4
21  B8R1.8  CCCN1C=CC=N1 B030577 [0,1,0,1,0,0|1,0,1]=4
22  B8R1.8  CCCN1C=CN=C1 B046400 [0,1,0,1,0,0|2,0,0]=4
23  B8R1.8  NCCC1=CC=CO1 B029933 [0,1,0,1,0,0|0,0,2]=4
24  B8R1.8  NCCC1=CC=CO1 B049455 [0,1,0,1,0,0|0,0,2]=4
25  B8R1.11  CC1=C(CO)N=CN1 B037486 [0,1,0,1,0,0|1,0,1]=4
26  B8R1.11  CC1=C(CO)SC=N1 B059809 [0,1,0,1,0,0|1,0,1]=4
27  B8R1.11  CCC1=C(Br)C=NO1 B063493 [0,1,0,1,0,0|1,0,1]=4
28  B8R1.11  CCC1=C(I)C=NO1 B063495 [0,1,0,1,0,0|1,0,1]=4
29  B8R1.11  CN1N=CC=C1CO B030040 [0,1,0,1,0,0|1,0,1]=4
30  B8R1.11  CN1N=CN=C1CO B052548 [0,1,0,1,0,0|2,0,0]=4
31  B8R1.1  CN1C=C(CO)C=N1 B020730 [0,1,0,1,0,0|2,0,0]=4
32  B8R1.1  CN1C=CC(CO)=N1 B047329 [0,1,0,1,0,0|1,0,1]=4
33  B8R1.1  OCC1CC(O)CN1 B050445 [0,1,0,1,0,0|1,0,1]=4