0  B10R1.18  CC(N)CC1=CC=CC=C1 DB00182 [0,0,0,0,0,0|0,0,0]=0
1  B10R1.18  C[C@H](N)CC1=CC=CC=C1 DB01576 [0,0,0,0,0,0|0,0,0]=0
2  B10R1.18  O=C(O)CC1=CC=CC=C1 DB09269 [0,0,0,0,0,0|2,0,1]=3
3  B11R1.20  CC(=O)NC1=CC=C(O)C=C1 DB00316 [0,1,0,0,0,0|2,0,1]=4
4  B11R1.20  CC(N)CC1=CC=C(O)C=C1 DB09352 [0,1,0,0,0,0|0,0,0]=1
5  B11R1.36  C[C@@H](N)[C@@H](O)C1=CC=CC=C1 DB00397 [0,1,0,0,0,0|0,0,0]=1
6  B11R1.40  CN[C@@H](C)CC1=CC=CC=C1 DB01577 [0,1,0,0,0,0|0,0,0]=1
7  B11R1.40  CN[C@H](C)CC1=CC=CC=C1 DB09571 [0,1,0,0,0,0|0,0,0]=1
8  B11R1.509  CC(C)(N)CC1=CC=CC=C1 DB00191 [0,1,0,0,0,0|0,0,0]=1
9  B11R2.4  NC1CC1C2=CC=CC=C2 DB00752 [0,0,0,1,0,0|0,0,0]=1
10  B9R1.6  NC(=O)C1=CC=CN=C1 DB02701 [0,0,0,0,1,0|2,0,1]=4
11  B9R1.6  O=C(O)C1=CC=CC=C1 DB03793 [0,0,0,0,1,0|2,0,1]=4
12  B8R1.2  OCC1=CC=CC=C1 DB06770 [2,0,0,0,0,0|1,0,0]=3
13  B10R1.17  CNCCC1=CC=CC=N1 DB06698 [1,1,0,0,0,0|1,0,0]=3
14  B10R1.17  NNCCC1=CC=CC=C1 DB00780 [1,1,0,0,0,0|0,0,0]=2
15  B10R1.17  OCCOC1=CC=CC=C1 DB11304 [1,1,0,0,0,0|1,0,0]=3
16  B10R1.61  NC(=O)C1=CC=CC=C1O DB08797 [0,1,0,0,1,0|1,0,1]=4
17  B12R1.226  N=C(N)NCC1=CC([123I])=CC=C1 DB09546 [0,1,0,0,0,1|1,0,1]=4
18  B12R1.226  NC(N)=NCC1=CC(I)=CC=C1 DB06704 [0,1,0,0,0,1|1,0,1]=4
19  B12R1.34  CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 DB00852 [0,2,0,0,0,0|0,0,0]=2
20  B12R1.34  CN[C@@H](C)[C@H](O)C1=CC=CC=C1 DB01364 [0,2,0,0,0,0|0,0,0]=2
21  B12R1.225  C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 DB00610 [0,2,0,0,0,0|0,0,0]=2
22  B12R1.32  C#CCN(C)CC1=CC=CC=C1 DB01626 [0,2,0,0,0,0|2,0,0]=4
23  B12R1.194  CNC(C)(C)CC1=CC=CC=C1 DB01365 [0,2,0,0,0,0|0,0,0]=2
24  B8R1.8  NCCC1=CC=NN1 DB00272 [1,0,0,0,1,0|2,0,0]=4
25  B8R1.8  NCCC1=CNC=N1 DB05381 [1,0,0,0,1,0|2,0,0]=4