0  B8R1.2  NCC1=CC=CC=C1 DB02464 [0,0,0,0,0,0|3,0,0]=3
1  B8R1.2  OCC1=CC=CN=C1 DB04145 [0,0,0,0,0,0|2,0,0]=2
2  B8R1.2  SCC1=CC=CN=C1 DB04490 [0,0,0,0,0,0|2,0,0]=2
3  B7R1.3  CC1=CC=CN=C1 DB01996 [1,0,0,0,0,0|1,0,0]=2
4  B7R1.3  IC1=CC=CC=C1 DB02252 [1,0,0,0,0,0|3,0,0]=4
5  B7R1.3  NC1=CC=CC=C1 DB06728 [1,0,0,0,0,0|3,0,0]=4
6  B7R1.3  OC1=CC=CC=C1 DB03255 [1,0,0,0,0,0|3,0,0]=4
7  B7R1.3  SC1=CC=CC=N1 DB03329 [1,0,0,0,0,0|2,0,0]=3
8  B9R1.1  OCC1=CC=C(Br)C=C1 DB02822 [0,1,0,0,0,0|3,0,0]=4
9  B9R1.1  [NH3+]CC1=CC=C(F)C=C1 DB03243 [0,1,0,0,0,0|3,0,0]=4
10  B9R1.2  OCC1=CC=CC(I)=C1 DB03339 [0,1,0,0,0,0|3,0,0]=4
11  B9R1.6  CC(=O)C1=CC=CC=C1 DB04619 [0,1,0,0,0,0|2,0,1]=4
12  B9R1.6  C[C@@H](O)C1=CC=CC=C1 DB04784 [0,1,0,0,0,0|2,0,0]=3
13  B9R1.8  NCCC1=CC=CC=C1 DB04325 [0,1,0,0,0,0|2,0,0]=3
14  B9R1.8  O=CCC1=CC=CC=C1 DB02178 [0,1,0,0,0,0|2,0,1]=4
15  B9R1.8  OCCC1=CC=CC=C1 DB02192 [0,1,0,0,0,0|2,0,0]=3
16  B9R1.15  NC1=CC=CC=C1CO DB03058 [0,1,0,0,0,0|3,0,0]=4
17  B9R1.15  SCC1=CC=CC=C1I DB03630 [0,1,0,0,0,0|3,0,0]=4
18  B8R1.3  CC1=CC=C(O)C=C1 DB01688 [1,1,0,0,0,0|2,0,0]=4
19  B8R1.4  CC1=CC=CC(O)=C1 DB01776 [1,1,0,0,0,0|2,0,0]=4
20  B8R1.4  NC1=CN=CC(Cl)=N1 DB02297 [1,1,0,0,0,0|1,0,0]=3
21  B10R1.1  OCCC1=CC=C(F)C=C1 DB03669 [0,2,0,0,0,0|2,0,0]=4
22  B10R1.13  CC(C)C1=CC=C(N)C=C1 DB02114 [0,2,0,0,0,0|2,0,0]=4
23  B10R1.4  CCCC1=CC=CC=C1N DB02970 [0,2,0,0,0,0|2,0,0]=4
24  B10R1.17  NCCCC1=CC=CC=C1 DB04410 [0,2,0,0,0,0|2,0,0]=4
25  B10R2.6  C1=CC=C([C@@H]2CO2)C=C1 DB04499 [0,1,0,1,0,0|2,0,0]=4
26  B6R1.2  CC1=CN=CN1 DB03385 [1,0,0,0,1,0|0,0,1]=3
27  B6R1.2  CC1=CNC=C1 DB01932 [1,0,0,0,1,0|0,0,1]=3
28  B6R1.2  CN1C=C[NH+]=C1 DB02671 [1,0,0,0,1,0|1,0,1]=4
29  B6R1.2  IC1=CNN=C1 DB02721 [1,0,0,0,1,0|2,0,0]=4