0  B12R1.27  NNC(=O)CNC1=CC=CC=C1 B003339 [0,0,0,0,0,0|4,0,0]=4
1  B11R1.91  O=C(O)CCC1=NC=CC=C1 B039507 [1,0,0,0,0,0|3,0,0]=4
2  B11R1.91  O=C(O)CNC1=CC=CC=C1 B003332 [1,0,0,0,0,0|3,0,0]=4
3  B13R1.14  COC(=O)CCC1=CC=C(Cl)C=C1 B050273 [0,1,0,0,0,0|2,0,0]=3
4  B13R1.42  N#CCC(=O)NCC1=CC=CC=C1 B028851 [0,1,0,0,0,0|1,0,1]=3
5  B12R1.8  NCCCNCC1=CC=CC=C1 B035593 [1,1,0,0,0,0|1,0,1]=4
6  B12R1.21  NC1=CC=C(CCC(=O)O)C=C1 B039360 [1,1,0,0,0,0|2,0,0]=4
7  B12R1.21  O=C(O)CCC1=CC=C(Cl)C=C1 B029582 [1,1,0,0,0,0|2,0,0]=4
8  B12R1.43  CC(=O)C(N)CC1=CC=CC=C1 B050535 [1,1,0,0,0,0|1,0,0]=3
9  B12R1.226  O=C(O)CCC1=CC(F)=CC=C1 B049111 [1,1,0,0,0,0|2,0,0]=4
10  B12R1.34  COC(=O)C(N)C1=CC=CC=C1 B030337 [0,1,0,0,1,0|1,0,0]=3
11  B12R1.49  NNC(=O)CC1=CC=C(Cl)C=C1 B014952 [0,1,0,0,1,0|2,0,0]=4
12  B14R1.520  N#CCC(=O)NCCC1=CC=CC=C1 B028862 [0,1,0,0,0,1|1,0,1]=4
13  B14R1.29  CC(NC(=O)CC#N)C1=CC=CC=C1 B001520 [0,2,0,0,0,0|1,0,1]=4
14  B14R1.502  CCOC(=O)COC1=CC=C(I)C=C1 B047307 [0,2,0,0,0,0|2,0,0]=4
15  B14R1.32  CCOC(=O)COC1=CC(Cl)=CC=C1 B047305 [0,2,0,0,0,0|2,0,0]=4
16  B14R1.818  CC(=O)CC(=O)NCC1=CC=CC=C1 B048565 [0,2,0,0,0,0|1,0,0]=3
17  B12R2.32  NCC1=NC2=CC=CC=C2O1 B039653 [0,0,0,1,1,0|2,0,0]=4
18  B14R2.30  O=C1CCCN1CC2=CC=CC=C2 B038512 [0,1,0,1,0,0|1,0,0]=3
19  B10R1.18  NC(=S)CC1=CC=CC=C1 B039022 [1,0,0,0,1,0|1,1,0]=4
20  B10R1.27  CCC(=O)CC1=CC=CO1 B050873 [0,0,0,0,2,0|1,0,0]=3
21  B10R1.15  C#CC(=O)C1=CC=CC=C1 B048976 [0,0,0,0,2,0|0,0,2]=4
22  B10R1.15  CCC(N)C1=CC=CC=C1 B006605 [0,0,0,0,2,0|1,0,1]=4