0  B9R1.11  BrCC(C1=CC=CS1)=O M10115924P [0,0,0,0,0,0|2,0,2]=4
1  B9R1.11  ClCC(N1CCCC1)=O M10165063P [0,0,0,0,0,0|4,0,0]=4
2  B9R1.11  O=C(C1=CC=CS1)OC M10072317P [0,0,0,0,0,0|2,0,2]=4
3  B9R1.11  O=C(C1=CCCC1)OC M10190686P [0,0,0,0,0,0|3,0,0]=3
4  B9R1.11  O=C(C1=CNN=N1)OC M10067660P [0,0,0,0,0,0|4,0,0]=4
5  B9R1.11  O=C(C1=COC=N1)OC M10799100P [0,0,0,0,0,0|3,0,1]=4
6  B9R1.11  O=C(C1=NC=CN1)OC M10148851P [0,0,0,0,0,0|2,0,2]=4
7  B9R1.11  O=C(C1OCCC1)OC M10233304P [0,0,0,0,0,0|2,1,1]=4
8  B8R1.7  CC(C1=CNC=N1)=O M10353238P [1,0,0,0,0,0|2,0,1]=4
9  B8R1.7  CC(C1SCCN1)=O M10425066P [1,0,0,0,0,0|0,0,2]=3
10  B8R1.7  CC([C@@H]1OCCC1)=O M10934991P [1,0,0,0,0,0|1,1,1]=4
11  B8R1.7  CC([C@H]1OCCC1)=O M10733047P [1,0,0,0,0,0|1,1,1]=4
12  B8R1.7  O=C(C1=NC=CS1)N M10144775P [1,0,0,0,0,0|1,0,2]=4
13  B8R1.8  CCOC1=NC=CS1 M10138070P [1,0,0,0,0,0|1,0,2]=4
14  B10R1.11  O=C(C1=CC=CS1)CCCl M10243198P [0,1,0,0,0,0|1,0,2]=4
15  B10R1.11  O=C(C1=CNN=N1)OCC M10243265P [0,1,0,0,0,0|3,0,0]=4
16  B10R1.11  O=C(C1=NC=CN1)OCC M10220766P [0,1,0,0,0,0|1,0,2]=4
17  B10R1.11  O=C(C1=NC=CO1)OCC M10219050P [0,1,0,0,0,0|0,1,2]=4
18  B10R1.11  O=C(C1=NNC=C1)OCC M10082024P [0,1,0,0,0,0|2,0,1]=4
19  B10R1.11  O=C(C1OCCC1)OCC M10145708P [0,1,0,0,0,0|1,1,1]=4
20  B10R1.11  O=C(OCC)[C@@H]1NCCC1 M10733320P [0,1,0,0,0,0|1,0,2]=4
21  B10R1.149  O=C(C1C(CCS1)=O)OC M10046762P [0,1,0,0,0,0|2,0,1]=4
22  B8R0.3  CCC(C(OCC)=O)=O M10139497P [0,0,1,0,0,0|1,1,0]=3
23  B10R2.32  O=C1CCC2=C1SC=C2 M10078628P [0,0,0,1,0,0|1,0,2]=4
24  B8R1.38  O=C(C1CCC1)NC M10122966P [0,0,0,0,1,0|2,0,1]=4
25  B8R1.38  O=C(C1CCC1)OC M10020178P [0,0,0,0,1,0|2,0,1]=4
26  B8R1.38  O=C(C1NCC1)OC M10199118P [0,0,0,0,1,0|1,0,2]=4
27  B8R1.38  O=C([C@H]1NCC1)OC M10435419P [0,0,0,0,1,0|1,0,2]=4
28  B10R1.15  O=C(C1=CCCCO1)OC M10728961P [0,0,0,0,0,1|2,1,0]=4
29  B10R1.15  O=C(C1=CCOCC1)OC M10660081P [0,0,0,0,0,1|3,0,0]=4
30  B7R0.5  CC(C(CCC)=O)=O M10058081P [1,0,1,0,0,0|1,1,0]=4
31  B7R1.1  CCC1=NC=CS1 M10138064P [2,0,0,0,0,0|0,0,2]=4
32  B7R1.1  CCC1=NCCO1 M10115051P [2,0,0,0,0,0|0,1,0]=3
33  B7R1.1  CSC1=NCCS1 M10163702P [2,0,0,0,0,0|1,0,0]=3
34  B7R1.1  ClCC1=NCCN1 M10122860P [2,0,0,0,0,0|2,0,0]=4
35  B7R1.1  O=CC1=NC=CS1 M10112946P [2,0,0,0,0,0|0,0,2]=4
36  B9R0.6  CC(C)C(C(OCC)=O)=O M10164737P [0,1,1,0,0,0|1,1,0]=4
37  B9R0.35  CCCC(C(OCC)=O)=O M10254180P [0,1,1,0,0,0|1,1,0]=4
38  B9R1.35  CC(C1=NC(C)=CS1)=O M10108448P [1,1,0,0,0,0|0,0,2]=4
39  B9R1.73  O=C(C1CCC1)OCC M10133979P [0,1,0,0,1,0|1,0,1]=4
40  B11R1.15  O=C(C1=NN=C(N)S1)OCC M10407880P [0,2,0,0,0,0|1,0,1]=4
41  B9R1.37  O=C1C(C(C)C(C)C1)=O M10124286P [0,0,1,1,0,0|1,1,0]=4
42  B11R2.11  SC1CN(C2=NCCS2)C1 M10807581P [0,1,0,1,0,0|2,0,0]=4