0  B11R2.15  C(=O)C1=CN2C=CSC2=N1 CDS015735 [0,0,0,0,0,0|2,0,1]=3
1  B11R2.15  NCC1=CN2N=CSC2=N1 PH019324 [0,0,0,0,0,0|2,0,2]=4
2  B11R2.15  O=CC1=CN2CCSC2=N1 KOB0146 [0,0,0,0,0,0|2,0,2]=4
3  B12R2.252  O=C(O)C1=CC2=C(S1)C=CS2 CDS002700 [0,1,0,0,0,0|3,0,0]=4
4  B12R2.252  O=C(O)C1=CN2C=CSC2=N1 CDS006231 [0,1,0,0,0,0|2,0,1]=4
5  B10R1.27  C/C(=C\C1=CC=CO1)/C=O PH011362 [0,0,1,0,0,0|3,0,0]=4
6  B12R2.32  O=CC1=NC2=C(N1)C=CC=C2 PH006841 [0,0,0,0,0,1|3,0,0]=4
7  B12R2.44  C(=O)C1=CC2=C(C=C1)OC=C2 CDS017525 [0,0,0,0,0,1|3,0,0]=4
8  B12R2.44  C(=O)C1=CN2C=CN=C2C=C1 CDS016444 [0,0,0,0,0,1|3,0,0]=4
9  B12R2.44  O=CC1=CN=C2C=CNC2=C1 ADE000961 [0,0,0,0,0,1|1,0,2]=4
10  B12R2.44  O=CC1=CN=C2C=COC2=C1 ADE001143 [0,0,0,0,0,1|2,0,1]=4
11  B12R2.44  O=CC1=CN=C2NC=CC2=C1 ADE000887 [0,0,0,0,0,1|2,0,1]=4
12  B9R1.12  C(=O)/C=C/C1=CC=CN1 L166448 [1,0,1,0,0,0|1,0,1]=4
13  B9R1.13  CC(=O)CN1C=CC=N1 CBR00875 [1,0,1,0,0,0|1,0,1]=4
14  B11R1.90  CN1N=CC=C1/C=C/C(=O)O CDS022768 [0,1,1,0,0,0|1,0,1]=4
15  B13R2.43  O=CC1=CC2=NC=C(C=C2O1)Br ADE001151 [0,1,0,0,0,1|2,0,0]=4
16  B13R2.45  CN1C2=CC=NC=C2N=C1C=O PH017414 [0,1,0,0,0,1|2,0,0]=4
17  B13R2.45  CN1C2=CC=NC=C2N=C1C=O PH019013 [0,1,0,0,0,1|2,0,0]=4
18  B13R2.54  CC1=CC=CN2C1=NC(=C2)C=O CDS007672 [0,1,0,0,0,1|1,0,1]=4
19  B13R2.435  CC(=O)C1=CN2C=CC=CC2=C1 PH014750 [0,1,0,0,0,1|2,0,0]=4
20  B13R2.435  O=C(O)C1=CC2=CC=CN=C2N1 CDS009698 [0,1,0,0,0,1|2,0,0]=4
21  B13R2.435  O=C(O)C1=CC2=NC=CN=C2S1 CDS017542 [0,1,0,0,0,1|2,0,0]=4
22  B13R2.435  O=C(O)C1=CN2C=CC=CC2=C1 CDS009157 [0,1,0,0,0,1|2,0,0]=4
23  B13R2.435  O=C(O)C1=CN2C=CC=NC2=N1 CBR00103 [0,1,0,0,0,1|1,0,1]=4
24  B13R2.2334  CN1C(=CC2=C1C=CO2)C(=O)O CDS010141 [0,2,0,0,0,0|2,0,0]=4
25  B13R2.2334  CN1C(=CC2=C1C=CS2)C(=O)O CDS014613 [0,2,0,0,0,0|2,0,0]=4
26  B13R2.3678  O=C(O)C1=CC2=C(N1)C(=CS2)Br CDS023239 [0,2,0,0,0,0|2,0,0]=4
27  B13R2.57  C(=O)C1=CC=C2C=CC=NC2=C1 CDS007586 [0,0,0,0,0,2|2,0,0]=4
28  B13R2.57  O=CC1=CC2=C(C=C1)N=CC=C2 CDS013832 [0,0,0,0,0,2|2,0,0]=4
29  B13R2.57  O=CC1=CC2=C(C=CC=N2)N=C1 ADE000863 [0,0,0,0,0,2|1,0,1]=4