0  B12R1.652  CC1=C(O)C(CO)=C(CO)C=N1      AK608064 [0,0,0,0,0,0|0,0,0]=0
1  B12R1.652  OC1=C(CN)C(CO)=CN=C1C      AK-86496 [0,0,0,0,0,0|1,0,0]=1
2  B11R1.37  BrC1=CC=C(CO)C(CO)=C1      AK173578 [1,0,0,0,0,0|2,0,0]=3
3  B11R1.72  CC1=CC=C(Cl)C(CO)=C1Cl      AK109739 [1,0,0,0,0,0|3,0,0]=4
4  B11R1.72  OC1=C(C=O)C(=CC=C1C)C      AK-24859 [1,0,0,0,0,0|1,0,2]=4
5  B10R1.20  NCC1=C(CO)C=CC=C1      AK-41063 [2,0,0,0,0,0|2,0,0]=4
6  B10R1.20  OCC1=C(CO)C=CN=C1      AK171924 [2,0,0,0,0,0|0,0,0]=2
7  B10R1.20  OCC1=CC=CC=C1CC      AK153193 [2,0,0,0,0,0|2,0,0]=4
8  B10R1.25  C1=C(C(=NC(=N1)C)N)CO      AK-29486 [2,0,0,0,0,0|2,0,0]=4
9  B10R1.25  CC1=CN=C(CO)C(C)=C1      AK102022 [2,0,0,0,0,0|2,0,0]=4
10  B10R1.25  N#CC1=CN=C(C)C=C1C      AK-30298 [2,0,0,0,0,0|1,0,1]=4
11  B10R1.25  O=CC1=CN=C(C)C=C1C      AK146838 [2,0,0,0,0,0|0,0,2]=4
12  B10R1.25  OCC1=C(N)C=C(Cl)N=C1      AK102054 [2,0,0,0,0,0|2,0,0]=4
13  B10R1.25  OCC1=CC=C(Br)C=C1C      AK-59623 [2,0,0,0,0,0|2,0,0]=4
14  B10R1.25  OCC1=CC=C(C)C=C1C      AK-61593 [2,0,0,0,0,0|1,0,0]=3
15  B10R1.25  OCC1=CC=C(N)C=C1C      AK143112 [2,0,0,0,0,0|2,0,0]=4
16  B10R1.30  C1=C(Br)C=CC(=C1CO)O      AK-34249 [2,0,0,0,0,0|2,0,0]=4
17  B10R1.30  OCC1=CC(Cl)=NC=C1F      AK-50534 [2,0,0,0,0,0|2,0,0]=4
18  B10R1.30  OCC1=CC(I)=CC=C1C      AK544172 [2,0,0,0,0,0|2,0,0]=4
19  B10R1.2  CC1=CC=CC(CO)=C1C      AK-58580 [2,0,0,0,0,0|2,0,0]=4
20  B10R1.2  CCC1=CC=CC(O)=C1O      AK103077 [2,0,0,0,0,0|2,0,0]=4
21  B10R1.2  OC1=C(C)C=CC=C1CN      AK338973 [2,0,0,0,0,0|2,0,0]=4
22  B10R1.2  OCC1=C(F)C(Br)=NC=C1      AK174173 [2,0,0,0,0,0|2,0,0]=4
23  B10R1.2  OCC1=C(N)C(Br)=CN=C1      AK144020 [2,0,0,0,0,0|2,0,0]=4
24  B10R1.119  CC1=CC=C(C)C(C)=C1C      AK162123 [2,0,0,0,0,0|2,0,0]=4
25  B10R1.119  CC1=NC=C(Br)C(C)=C1Br      AK-90011 [2,0,0,0,0,0|2,0,0]=4
26  B10R1.245  OCC1=C(C)C=CC=C1C      AK117453 [2,0,0,0,0,0|2,0,0]=4
27  B10R1.245  OCC1=C(C)C=CC=C1F      AK145170 [2,0,0,0,0,0|2,0,0]=4
28  B10R1.176  CC1=C(Br)C=C(CO)C=C1      AK104804 [2,0,0,0,0,0|2,0,0]=4
29  B10R1.176  OC1=CC(CO)=CC=C1F      AK270577 [2,0,0,0,0,0|2,0,0]=4
30  B10R1.176  OC1=CC(CO)=CC=C1I      AK-84465 [2,0,0,0,0,0|2,0,0]=4
31  B10R1.176  OCC1=CC(Br)=C(N)N=C1      AK137409 [2,0,0,0,0,0|2,0,0]=4
32  B10R1.176  OCC1=CC(I)=C(Cl)N=C1      AK173016 [2,0,0,0,0,0|2,0,0]=4
33  B10R1.176  OCC1=CC=C(C)C(C)=C1      AK-79908 [2,0,0,0,0,0|2,0,0]=4