0  B10R1.23  N[C@H](C(=O)O)c1ccsc1 M28171 [0,1,0,0,0,0|3,0,0]=4
1  B10R1.54  Nc1nc(CC(=O)O)cs1 M21248 [0,1,0,0,0,0|3,0,0]=4
2  B10R1.54  O=C(O)Cc1nc(Cl)cs1 M20733 [0,1,0,0,0,0|2,1,0]=4
3  B8R1.7  CC(=O)C1=NC=CS1 M24117 [0,0,0,0,1,0|1,1,0]=3
4  B8R1.7  O=C(O)c1ccco1 M20299 [0,0,0,0,1,0|1,0,0]=2
5  B8R1.7  O=C(O)c1ccoc1 M20037 [0,0,0,0,1,0|3,0,0]=4
6  B10R1.18  CC(=O)NC1=CC=CC=C1 M19489 [0,0,0,0,0,1|2,0,0]=3
7  B10R1.18  CC(=O)OC1=CC=CC=C1 M10882 [0,0,0,0,0,1|2,0,0]=3
8  B10R1.18  CC(=S)Nc1ccccc1 M27241 [0,0,0,0,0,1|2,1,0]=4
9  B10R1.18  O=C(O)CC1=CN=CC=C1 M15439 [0,0,0,0,0,1|2,0,0]=3
10  B10R1.18  O=C(O)Cc1ccccc1 M19689 [0,0,0,0,0,1|2,0,0]=3
11  B10R1.66  CC(=O)OCc1ccco1 M21359 [0,0,0,0,0,1|0,0,0]=1
12  B7R0.2  COC(=O)CC(C)=O M19541 [1,0,1,0,0,0|1,0,1]=4
13  B7R0.4  C\C=C\C=C\C(=O)O M21338 [1,0,1,0,0,0|2,0,0]=4
14  B7R0.4  C\C=C\C=C\C(=O)[O-] M19582 [1,0,1,0,0,0|2,0,0]=4
15  B7R1.1  O=Cc1ccco1 M20306 [2,0,0,0,0,0|0,0,0]=2
16  B9R0.55  O=C(O)C\C=C\CC(=O)O M20035 [0,1,1,0,0,0|1,0,1]=4
17  B9R0.55  O=C(O)\C=C/C=C/C(=O)O M20235 [0,1,1,0,0,0|1,0,1]=4
18  B9R0.55  O=C(O)\C=C\C=C\C(=O)O M20676 [0,1,1,0,0,0|1,0,1]=4
19  B9R1.11  COC(=O)c1ccco1 M21355 [1,1,0,0,0,0|1,0,1]=4
20  B9R1.35  O=C(O)C1=CC=C(Br)N1 M29567 [0,1,0,0,1,0|2,0,0]=4
21  B11R1.20  CC(=O)NC1=CC=C(O)C=C1 M10198 [0,1,0,0,0,1|2,0,0]=4
22  B11R1.20  CC(=O)Oc1ccc(O)cc1 M22549 [0,1,0,0,0,1|2,0,0]=4
23  B11R1.20  O=C(O)Cc1ccc(O)cc1 M18084 [0,1,0,0,0,1|2,0,0]=4
24  B11R1.36  CC(=O)C(=O)c1ccccc1 M20856 [0,1,0,0,0,1|1,0,1]=4
25  B11R1.36  NC(C(=O)O)c1ccccc1 M26535 [0,1,0,0,0,1|2,0,0]=4
26  B11R1.36  O=C(O)C(O)C1=CC=CC=C1 M18892 [0,1,0,0,0,1|2,0,0]=4
27  B11R1.36  O=C(O)C(O)c1ccccc1 M19671 [0,1,0,0,0,1|2,0,0]=4
28  B11R1.86  O=C(O)Cc1ccccc1O M20039 [0,1,0,0,0,1|2,0,0]=4
29  B11R1.157  CC(=O)NC1=CC=CC(O)=C1 M15352 [0,1,0,0,0,1|2,0,0]=4
30  B11R1.157  CC(=O)OC1=CC=CC(C)=C1 M19519 [0,1,0,0,0,1|2,0,0]=4
31  B11R1.157  CC(=O)OC1=CC=CC(O)=C1 M22104 [0,1,0,0,0,1|2,0,0]=4
32  B11R1.157  O=C(O)Cc1cccc(O)c1 M19649 [0,1,0,0,0,1|2,0,0]=4
33  B11R1.314  NC(C(=O)O)c1cc(O)no1 M29621 [0,2,0,0,0,0|2,0,0]=4
34  B9R1.6  CC(=O)c1ccccc1 M20888 [0,0,1,1,0,0|1,0,1]=4
35  B11R2.10  O=C1Cc2ccccc2N1 M22658 [0,0,0,1,0,1|2,0,0]=4
36  B9R1.8  CNCc1ccccc1 M21326 [1,0,0,0,0,1|2,0,0]=4
37  B9R1.8  O=CCC1=CC=CC=C1 M17893 [1,0,0,0,0,1|1,0,0]=3
38  B11R1.91  CC(=O)CCC1=CC=CC=C1 M18315 [0,0,0,0,0,2|1,0,0]=3
39  B11R1.91  CC(=O)COc1ccccc1 M27826 [0,0,0,0,0,2|1,0,0]=3
40  B11R1.91  CC(=O)NCc1ccccc1 M22662 [0,0,0,0,0,2|1,0,0]=3
41  B11R1.91  CC(=O)OCc1ccccc1 M20248 [0,0,0,0,0,2|1,0,0]=3
42  B11R1.91  CC(=O)O[Hg]C1=CC=CC=C1 M19512 [0,0,0,0,0,2|2,0,0]=4
43  B11R1.91  CC(=O)\C=C\C1=CC=CC=C1 M18165 [0,0,0,0,0,2|1,0,1]=4
44  B11R1.91  NC(=O)NCc1ccccc1 M27376 [0,0,0,0,0,2|2,0,0]=4
45  B11R1.91  O=C(O)CCc1ccccc1 M18665 [0,0,0,0,0,2|2,0,0]=4