0  B12R2.252  CC(=O)C1=CC2=C(C=CS2)N1 SEW02099 [0,0,0,0,0,0|1,0,0]=1
1  B12R2.252  NC(=O)C1=CC2=C(C=CS2)S1 SEW02086 [0,0,0,0,0,0|2,0,0]=2
2  B12R2.252  O=C(O)C1=CC2=C(C=CS2)S1 SEW01931 [0,0,0,0,0,0|1,0,0]=1
3  B12R2.252  O=C(O)C1=CC2=C(SC=C2)S1 SEW01633 [0,0,0,0,0,0|2,0,0]=2
4  B13R2.531  COC(=O)C1=CC2=C(C=CS2)S1 SEW02080 [0,1,0,0,0,0|1,0,0]=2
5  B13R2.531  NNC(=O)C1=CC2=C(C=CS2)S1 SEW02081 [0,1,0,0,0,0|2,0,0]=3
6  B11R1.35  C\C(=C/C1=CC=CS1)[N+](=O)[O-] S03995 [0,0,1,0,0,0|2,0,1]=4
7  B13R2.430  O=C(O)C1=CC2=C(C=C1)N=CS2 CC05901 [0,0,0,0,0,1|2,0,0]=3
8  B13R2.430  O=C(O)C1=CC2=C(C=C1)OC=C2 CC07101 [0,0,0,0,0,1|1,1,0]=3
9  B13R2.430  O=C(O)C1=CC=C2C=CNC2=C1 RJC02385 [0,0,0,0,0,1|2,0,0]=3
10  B13R2.435  O=C(O)C1=CC2=C(C=CC=C2)N1 CC12801 [0,0,0,0,0,1|1,0,0]=2
11  B13R2.435  O=C(O)C1=CC2=C(C=CC=C2)O1 CC06601 [0,0,0,0,0,1|2,0,0]=3
12  B13R2.435  O=C(O)C1=CC2=C(C=CC=C2)S1 CC12201 [0,0,0,0,0,1|2,0,0]=3
13  B13R2.435  O=C(O)C1CC2=C(C=CC=C2)N1 BTB14322 [0,0,0,0,0,1|1,0,2]=4
14  B10R1.66  O=C(O)CCC1=CC=CS1 RJC01494 [1,0,1,0,0,0|0,0,2]=4
15  B12R1.298  CC(=O)\C(C#N)=C\C1=CC=CS1 NRB00397 [0,1,1,0,0,0|1,0,1]=4
16  B12R1.298  N#C\C(=C/C1=CC=CS1)C(N)=O DP00529 [0,1,1,0,0,0|1,0,1]=4
17  B14R2.450  NC1=C(C(=O)O)SC2=C1C=CC=N2 MO00759 [0,1,0,0,0,1|2,0,0]=4
18  B14R2.972  COC(=O)C1=CC2=C(C=CC=C2)S1 BTB07526 [0,1,0,0,0,1|2,0,0]=4
19  B14R2.4529  CC1=CC2=C(C=C1)SC(C(=O)O)=C2 MO00911 [0,1,0,0,0,1|2,0,0]=4
20  B14R2.4529  CC1=CC=C2NC(C(=O)O)=CC2=C1 JFD03921 [0,1,0,0,0,1|1,0,0]=3
21  B14R2.4529  O=C(O)C1=CC2=CC(F)=CC=C2N1 RH01182 [0,1,0,0,0,1|1,0,0]=3
22  B14R2.781  O=C(O)C1=CC2=CC=CC=C2C=N1 CC04701 [0,0,0,0,0,2|1,0,1]=4
23  B14R2.781  O=C(O)C1=CC2=CC=CC=C2OC1 CC24101 [0,0,0,0,0,2|2,0,0]=4
24  B14R2.781  O=C(O)C1=CC2=CC=CN=C2C=C1 CC04501 [0,0,0,0,0,2|2,0,0]=4
25  B14R2.781  O=C(O)C1=CC2=NC=CN=C2C=C1 CC11701 [0,0,0,0,0,2|2,0,0]=4
26  B14R2.781  O=C(O)C1=NC2=C(C=CC=C2)C=C1 CC04401 [0,0,0,0,0,2|1,0,1]=4