0  B12R2.612  B1(C2=C(CO1)C=C(C=C2)F)O S4996 [0,0,0,0,0,0|3,1,0]=4
1  B12R2.612  C1=CC2=C(C=C1F)NNC2=O S0727 [0,0,0,0,0,0|1,1,2]=4
2  B12R2.612  C1=CC2=C(C=C1F)NNC2=O S0727 [0,0,0,0,0,0|1,1,2]=4
3  B11R2.1  C1CC(=O)C2=CC=CC=C21 S9346 [1,0,0,0,0,0|2,0,1]=4
4  B11R2.1  CC1=CNC2=CC=CC=C12 S4959 [1,0,0,0,0,0|3,0,0]=4
5  B11R2.36  C1OC2=C(O1)C=C(C=C2)O S3626 [1,0,0,0,0,0|3,0,0]=4
6  B11R1.166  C1=CC(=C(C=C1Cl)O)C(=O)O S3691 [0,0,1,0,0,0|1,0,0]=2
7  B11R1.166  C1=CC(=C(C=C1N)O)C(=O)O S4404 [0,0,1,0,0,0|2,0,0]=3
8  B11R1.166  C1=CC(=C(C=C1N)O)C(=O)O S4404 [0,0,1,0,0,0|2,0,0]=3
9  B11R1.166  C1=CC(=C(C=C1N)O)C(=O)O S5211 [0,0,1,0,0,0|2,0,0]=3
10  B11R1.166  C1=CC(=C(C=C1N)O)C(=O)[O-] S4073 [0,0,1,0,0,0|2,0,1]=4
11  B11R1.166  C1=CC(=C(C=C1N)O)C(=O)[O-] S4073 [0,0,1,0,0,0|2,0,1]=4
12  B11R1.166  C1=CC(=C(C=C1O)O)C(=O)O S6293 [0,0,1,0,0,0|2,0,0]=3
13  B11R1.166  CC(=O)C1=C(C=C(C=C1)O)O S4762 [0,0,1,0,0,0|2,0,1]=4
14  B11R1.166  CC1=CC(=C(C=C1)C(=O)C)O S5173 [0,0,1,0,0,0|2,0,1]=4
15  B11R1.166  CC1=CC(=C(C=C1)C(=O)O)O S5519 [0,0,1,0,0,0|2,0,0]=3
16  B13R2.5179  C1=CC2=C(C=C1O)OC=CC2=O S5548 [0,0,0,0,0,1|2,0,1]=4
17  B10R1.13  C1=CC(=CC=C1C(=O)O)N S4510 [1,0,1,0,0,0|1,0,1]=4
18  B10R1.13  C1=CC(=CC=C1C(=O)O)N S4510 [1,0,1,0,0,0|1,0,1]=4
19  B10R1.13  C1=CC(=CC=C1C(=O)O)O S3754 [1,0,1,0,0,0|1,0,1]=4
20  B10R1.25  C1=CC(=C(C=C1Cl)Cl)CO S6067 [1,0,1,0,0,0|1,0,1]=4
21  B10R1.61  C1=CC(=C(N=C1)C(=O)O)O S6252 [1,0,1,0,0,0|2,0,0]=4
22  B10R1.61  C1=CC=C(C(=C1)C(=O)N)O S6404 [1,0,1,0,0,0|0,0,2]=4
23  B10R1.61  C1=CC=C(C(=C1)C(=O)O)O S4539 [1,0,1,0,0,0|1,0,0]=3
24  B10R1.61  C1=CC=C(C(=C1)C(=O)O)O S4539 [1,0,1,0,0,0|1,0,0]=3
25  B10R1.61  C1=CC=C(C(=C1)C(=O)[O-])O S3137 [1,0,1,0,0,0|1,0,1]=4
26  B10R1.61  C1=CC=C(C(=C1)C(=O)[O-])O S3137 [1,0,1,0,0,0|1,0,1]=4
27  B10R1.61  CC(=O)C1=CC=CC=C1O S9375 [1,0,1,0,0,0|1,0,1]=4
28  B10R1.61  CC1=CC=CC=C1C(=O)O S6217 [1,0,1,0,0,0|2,0,0]=4
29  B10R2.7  C1=CC=C2C(=C1)C=CN2 S6358 [2,0,0,0,0,0|2,0,0]=4
30  B12R1.452  COC1=CC(=C(C=C1)C(=O)O)O S5160 [0,1,1,0,0,0|2,0,0]=4
31  B12R1.893  C1=CC(=C(C(=C1C(=O)O)O)O)O S6018 [0,1,1,0,0,0|2,0,0]=4
32  B12R2.1  C1=CC=C2C(=C1)C(=CN2)CO S2313 [1,1,0,0,0,0|2,0,0]=4
33  B12R2.1  C1=CC=C2C(=C1)C(=CN2)CO S2313 [1,1,0,0,0,0|2,0,0]=4