0  B10R1.66  CC(=O)OCC1=CC=CO1 HY-W010321 [0,0,0,0,0,0|0,0,0]=0
1  B10R1.66  O=C(O)CCC1=CN=CN1 HY-W045271 [0,0,0,0,0,0|4,0,0]=4
2  B9R1.12  O=C\C=C\C1=CC=CO1 HY-W012845A [1,0,0,0,0,0|1,0,1]=3
3  B11R1.35  NC(CC1=CC=CS1)C(=O)O HY-W141842 [0,1,0,0,0,0|2,1,0]=4
4  B11R1.35  N[C@@H](CC1=CC=CS1)C(=O)O HY-I0393 [0,1,0,0,0,0|2,1,0]=4
5  B9R1.13  O=C(O)CC1=CC=CS1 HY-W001142 [0,0,0,0,1,0|1,1,0]=3
6  B9R1.13  O=C(O)CC1=CN=CN1 HY-113413 [0,0,0,0,1,0|3,0,0]=4
7  B9R1.13  O=C(O)CC1=CN=CN1 HY-W007686 [0,0,0,0,1,0|3,0,0]=4
8  B9R1.13  O=C(O)CC1=CSC=C1 HY-W001140 [0,0,0,0,1,0|3,0,0]=4
9  B11R1.91  CC(=O)CCC1=CC=CC=C1 HY-W015616 [0,0,0,0,0,1|2,0,0]=3
10  B11R1.91  CC(=O)COC1=CC=CC=C1 HY-116792 [0,0,0,0,0,1|3,0,0]=4
11  B11R1.91  CC(=O)NCC1=CC=CC=C1 HY-W052051 [0,0,0,0,0,1|2,0,0]=3
12  B11R1.91  CC(=O)NNC1=CC=CC=C1 HY-W017425 [0,0,0,0,0,1|3,0,0]=4
13  B11R1.91  CC(=O)\C=C\C1=CC=CC=C1 HY-W012595A [0,0,0,0,0,1|2,0,1]=4
14  B11R1.91  O=C(O)CCC1=CC=CC=C1 HY-Y1088 [0,0,0,0,0,1|3,0,0]=4
15  B11R1.91  O=C(O)CCC1=NC=CC=N1 HY-W128579 [0,0,0,0,0,1|3,0,0]=4
16  B11R1.172  CC(=O)NCCC1=CN=CN1 HY-112175 [0,0,0,0,0,1|3,0,0]=4
17  B10R1.21  CCCCCC1=CC=CO1 HY-N7398 [1,1,0,0,0,0|1,0,1]=4
18  B10R1.23  [C@H](N)(C(=O)O)C1=CC=CS1 HY-W017256 [0,1,0,0,1,0|1,1,0]=4
19  B12R1.21  CC(=O)CCC1=CC=C(O)C=C1 HY-N1426R [0,1,0,0,0,1|2,0,0]=4
20  B12R1.21  CC(=O)O[Hg]C1=CC=C(N)C=C1 HY-148905 [0,1,0,0,0,1|2,0,0]=4
21  B12R1.27  COC(=O)CCC1=CC=CC=C1 HY-W007828 [0,1,0,0,0,1|2,0,0]=4
22  B12R1.27  NCC(=O)OCC1=CC=CC=C1 HY-W005117 [0,1,0,0,0,1|1,0,0]=3
23  B10R1.18  CC(=O)OC1=CC=CC=C1 HY-128733 [0,0,1,1,0,0|1,0,1]=4
24  B10R1.18  CC(=O)OC1=CC=CC=C1 HY-128733R [0,0,1,1,0,0|1,0,1]=4
25  B10R1.61  CC(=O)C1=CC=CC=C1O HY-Y1426 [0,0,1,1,0,0|1,0,1]=4
26  B10R1.113  CC(=O)C1=CC=CC(O)=C1 HY-Y0603 [0,0,1,1,0,0|1,0,1]=4
27  B8R1.7  CC(=O)C1=CC=CO1 HY-W015912 [0,0,0,0,2,0|0,0,0]=2
28  B8R1.7  CC(=O)C1=CC=CS1 HY-20585 [0,0,0,0,2,0|0,1,0]=3
29  B8R1.7  CC(=O)C1=CSC=C1 HY-W007361 [0,0,0,0,2,0|2,0,0]=4
30  B8R1.7  CC(=O)C1=NC=CS1 HY-Y0045 [0,0,0,0,2,0|1,1,0]=4
31  B8R1.7  O=C(O)C1=CC=CO1 HY-W012946 [0,0,0,0,2,0|1,0,0]=3
32  B12R1.252  CC(=O)CCCC1=CC=CC=C1 HY-145613 [0,0,0,0,0,2|2,0,0]=4
33  B12R1.252  CC(=O)OCCC1=CC=CC=C1 HY-W102356 [0,0,0,0,0,2|1,0,0]=3