0  B11R1.90  CC1=C(OC=C1)CNC(=S)N Z2194175108 [0,0,0,0,0,0|3,0,0]=3
1  B11R1.90  CC1=C(SC=C1)/C=C/C(=O)O Z2942851704 [0,0,0,0,0,0|2,1,1]=4
2  B11R1.90  CC1=C(SC=C1)CNC(C)C Z90502231 [0,0,0,0,0,0|1,1,1]=3
3  B10R1.66  CC(=O)/C=C/C1=CC=CO1 Z57114540 [1,0,0,0,0,0|1,0,1]=3
4  B10R1.66  CC(=O)NCC1=CC=CO1 Z31407850 [1,0,0,0,0,0|2,0,0]=3
5  B10R1.66  CC(=O)NCC1=CC=CS1 Z29693692 [1,0,0,0,0,0|2,1,0]=4
6  B10R1.66  CC(=O)NCC1=CC=NO1 Z1613960888 [1,0,0,0,0,0|3,0,0]=4
7  B10R1.66  CC(C)NCC1=CC=CO1 Z90502205 [1,0,0,0,0,0|1,0,1]=3
8  B10R1.66  CC(C)NCC1=CC=CS1 Z90502193 [1,0,0,0,0,0|1,1,1]=4
9  B10R1.66  NC(=O)NCC1=CC=CO1 Z56900771 [1,0,0,0,0,0|3,0,0]=4
10  B10R1.66  NC(=S)NCC1=CC=CO1 Z56943723 [1,0,0,0,0,0|3,0,0]=4
11  B10R1.66  O=C(O)/C=C/C1=CC=CO1 Z2311574202 [1,0,0,0,0,0|2,0,1]=4
12  B12R1.353  CC1=C(SC=C1)CNC(=O)CCl Z561355864 [0,1,0,0,0,0|2,1,0]=4
13  B10R0.3  CC(=CCC/C(=C/C=O)/C)C Z104478042 [0,0,1,0,0,0|0,0,2]=3
14  B10R0.3  CC(=CCC/C(=C/CO)/C)C Z104473544 [0,0,1,0,0,0|0,0,2]=3
15  B12R2.120  CC1(CC2=C(CN1)SC=C2)C Z2242045399 [0,0,0,1,0,0|1,1,1]=4
16  B10R1.64  CC1=C(SC=C1)CC(=O)O Z978942584 [0,0,0,0,1,0|2,1,0]=4
17  B12R1.226  CC(=O)CCC1=CC(=CC=C1)C Z406376778 [0,0,0,0,0,1|2,0,1]=4
18  B9R1.12  CCNCC1=CC=CO1 Z90513169 [2,0,0,0,0,0|1,0,1]=4
19  B9R1.12  O=C/C=C/C1=CC=CO1 Z3219926044 [2,0,0,0,0,0|1,0,1]=4
20  B9R1.33  CC1=C(SC=C1)CC=O Z1250885386 [2,0,0,0,0,0|1,1,0]=4
21  B9R1.33  CNCC1=C(C=CS1)C Z85956636 [2,0,0,0,0,0|1,1,0]=4
22  B11R1.25  CCC(=O)NCC1=CC=CO1 Z31407962 [1,1,0,0,0,0|2,0,0]=4
23  B11R1.25  CNC(=O)CCC1=CC=CO1 Z242124434 [1,1,0,0,0,0|1,0,1]=4
24  B11R1.25  NCC(=O)NCC1=CC=CO1 Z850542566 [1,1,0,0,0,0|2,0,0]=4
25  B11R1.25  O=C(CCl)NCC1=CC=CO1 Z56891404 [1,1,0,0,0,0|2,0,0]=4
26  B11R1.35  CC(=O)N(C)CC1=CC=CO1 Z32456026 [1,1,0,0,0,0|2,0,0]=4
27  B11R1.35  CN(C)C(=O)CC1=CC=CS1 Z32014360 [1,1,0,0,0,0|1,1,0]=4
28  B11R1.75  CC1=CC=C(O1)CNC(C)C Z600428342 [1,1,0,0,0,0|1,0,1]=4
29  B11R1.89  CN(C)C(=O)C1=C(C=CO1)Br Z1360063124 [0,1,0,0,1,0|2,0,0]=4
30  B13R1.202  CC1=C(C=CC=C1)CC(=O)N(C)C Z71501042 [0,1,0,0,0,1|2,0,0]=4
31  B13R1.2800  COC1=C(SC=C1)C(=O)C=C(C)C Z1763846473 [0,2,0,0,0,0|0,1,1]=4
32  B11R1.166  CC(=O)C1=C(C=C(C=C1)C)O Z169857138 [0,0,1,1,0,0|1,0,1]=4
33  B11R1.166  CC1=CC(=C(C=C1)C(C)C)O Z57127464 [0,0,1,1,0,0|0,0,2]=4
34  B11R1.166  CC1=CC(=O)C(=C(C)C)CC1 Z1251353210 [0,0,1,1,0,0|0,0,2]=4
35  B11R1.21  CC(=O)C1=CC(=C(C=C1)C)O Z1198169413 [0,0,1,1,0,0|1,0,1]=4
36  B11R1.21  CC1=C(C=C(C=C1)C(C)C)O Z104496566 [0,0,1,1,0,0|0,0,2]=4
37  B11R2.36  CC1=CC2=C(C=C1)OC=C2 Z1198151070 [1,0,0,1,0,0|0,0,2]=4
38  B11R2.385  C1=COC(=C1)CNC2CC2 Z90517838 [1,0,0,1,0,0|1,0,1]=4
39  B9R1.13  CC(N)CC1=CC=CO1 Z285143986 [1,0,0,0,1,0|1,0,1]=4
40  B9R1.13  CN(C)CC1=CC=CN1 Z810541778 [1,0,0,0,1,0|2,0,0]=4
41  B9R1.13  O=C(O)CC1=CC=CO1 Z1179936226 [1,0,0,0,1,0|2,0,0]=4
42  B9R1.41  CC(=O)C1=C(C=CO1)C Z1386912896 [0,0,0,0,2,0|1,0,0]=3
43  B9R1.41  CC(=O)C1=C(C=CS1)C Z837063696 [0,0,0,0,2,0|1,1,0]=4
44  B9R1.41  CC1=C(OC=C1)C(=N)N Z1255465907 [0,0,0,0,2,0|2,0,0]=4
45  B9R1.41  CC1=C(OC=C1)C(=O)N Z278515020 [0,0,0,0,2,0|2,0,0]=4
46  B9R1.41  CC1=C(OC=C1)C(=O)O Z147652428 [0,0,0,0,2,0|2,0,0]=4