0  B11R1.40  CN[C@@H](C)CC1=CC=CC=C1 DB01577 [0,0,0,0,0,0|0,0,0]=0
1  B11R1.40  CN[C@H](C)CC1=CC=CC=C1 DB09571 [0,0,0,0,0,0|0,0,0]=0
2  B10R1.17  CNCCC1=CC=CC=N1 DB06698 [1,0,0,0,0,0|1,0,0]=2
3  B10R1.17  NNCCC1=CC=CC=C1 DB00780 [1,0,0,0,0,0|1,0,0]=2
4  B10R1.17  OCCOC1=CC=CC=C1 DB11304 [1,0,0,0,0,0|3,0,0]=4
5  B10R1.18  CC(N)CC1=CC=CC=C1 DB00182 [1,0,0,0,0,0|0,0,0]=1
6  B10R1.18  C[C@H](N)CC1=CC=CC=C1 DB01576 [1,0,0,0,0,0|0,0,0]=1
7  B10R1.18  O=C(O)CC1=CC=CC=C1 DB09269 [1,0,0,0,0,0|2,0,1]=4
8  B12R1.32  C#CCN(C)CC1=CC=CC=C1 DB01626 [0,1,0,0,0,0|2,0,1]=4
9  B12R1.34  CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 DB00852 [0,1,0,0,0,0|0,0,0]=1
10  B12R1.34  CN[C@@H](C)[C@H](O)C1=CC=CC=C1 DB01364 [0,1,0,0,0,0|0,0,0]=1
11  B12R1.43  N[C@@H](CC1=CC=CC=C1)C(=O)O DB00120 [0,1,0,0,0,0|3,0,0]=4
12  B12R1.194  CNC(C)(C)CC1=CC=CC=C1 DB01365 [0,1,0,0,0,0|0,0,0]=1
13  B11R1.20  CC(N)CC1=CC=C(O)C=C1 DB09352 [1,1,0,0,0,0|0,0,0]=2
14  B11R1.36  C[C@@H](N)[C@@H](O)C1=CC=CC=C1 DB00397 [1,1,0,0,0,0|0,0,0]=2
15  B11R1.509  CC(C)(N)CC1=CC=CC=C1 DB00191 [1,1,0,0,0,0|0,0,0]=2
16  B13R1.417  C\N=C(/NC)NCC1=CC=CC=C1 DB00217 [0,1,0,0,0,1|0,0,1]=3
17  B13R1.21  [C@@H](C)(NC)[C@H](O)C1=CC=C(O)C=C1 DB11610 [0,2,0,0,0,0|0,0,0]=2
18  B13R1.152  C[C@@H]([C@H](O)C1=CC=CC=C1)N(C)C DB11278 [0,2,0,0,0,0|0,0,0]=2
19  B13R1.275  CC[N+](C)(C)CC1=CC=CC=C1Br DB01158 [0,2,0,0,0,0|2,0,0]=4
20  B11R2.4  NC1CC1C2=CC=CC=C2 DB00752 [1,0,0,1,0,0|2,0,0]=4
21  B13R2.64  C1=CC=C(CC2=NCCN2)C=C1 DB00797 [0,1,0,1,0,0|0,0,1]=3