0  B10R1.66  CC(=O)OCC1=CC=CO1      AK-96694 [0,0,0,0,0,0|1,1,1]=3
1  B9R1.12  CCCCC1=CC=CS1      AK142166 [1,0,0,0,0,0|1,1,0]=3
2  B9R1.12  CCOCC1=CC=CO1      AK119688 [1,0,0,0,0,0|0,1,0]=2
3  B11R1.25  CCC(SSC1=NC=CN1)C      AK143053 [0,1,0,0,0,0|3,0,0]=4
4  B9R1.13  CC(C)CC1=NC=CS1      AK114248 [0,0,0,0,1,0|1,1,0]=3
5  B9R1.13  CN(C)C=C1C=CC=C1      AK-79365 [0,0,0,0,1,0|2,0,1]=4
6  B9R1.13  O=C(O)CC1=CC=CO1      AK126664 [0,0,0,0,1,0|2,0,1]=4
7  B8R1.8  C1=CN=C(CCC)[NH]1      AK-49074 [2,0,0,0,0,0|2,0,0]=4
8  B8R1.8  CCCC1=NC=CS1      AK-60893 [2,0,0,0,0,0|1,1,0]=4
9  B8R1.8  CNCC1=CC=CS1      AK-16718 [2,0,0,0,0,0|1,1,0]=4
10  B8R1.8  NCCC1=CC=CS1      AK-44822 [2,0,0,0,0,0|1,1,0]=4
11  B8R1.8  OCCC1=CC=CS1      AK-43981 [2,0,0,0,0,0|1,1,0]=4
12  B10R1.21  CCCCCC1=CC=CS1      AK117060 [1,1,0,0,0,0|1,1,0]=4
13  B10R1.54  CC(C)CN1N=CC(I)=C1      AK-94545 [0,1,0,0,1,0|2,0,0]=4
14  B12R1.27  C[C@H](NCC1=CC=CC=C1)CO      AK112680 [0,1,0,0,0,1|2,0,0]=4
15  B10R2.7  C12=C(C=CS1)CCNC2      AK-27411 [1,0,0,1,0,0|1,1,0]=4
16  B10R2.7  C1CN2C=CC=C2CN1      AK-36181 [1,0,0,1,0,0|2,0,0]=4
17  B12R2.24  CC1CC2=C(CN1)C=CC=C2      AK-77462 [0,0,0,1,0,1|2,0,0]=4
18  B8R1.7  CC(C1=CC=CO1)C      AK120816 [0,0,0,0,2,0|0,0,0]=2
19  B8R1.7  CC(C1=NC=CN1)C      AK106223 [0,0,0,0,2,0|2,0,0]=4
20  B8R1.7  CC(N1N=CC=C1)C      AK-61646 [0,0,0,0,2,0|2,0,0]=4
21  B8R1.7  C[C@H](N)C1=CC=CO1      AK544263 [0,0,0,0,2,0|1,0,0]=3
22  B8R1.7  C[C@H](N)C1=CC=CS1      AK486945 [0,0,0,0,2,0|1,1,0]=4
23  B10R1.17  CCNCC1=CC=NC=C1      AK-48167 [1,0,0,0,0,1|2,0,0]=4
24  B10R1.17  CCNCC1=NC=CC=C1      AK-82541 [1,0,0,0,0,1|2,0,0]=4