0  B10R1.13  CC1=NC=C(C=N1)C(=O)O M22830 [0,0,0,0,0,0|3,0,0]=3
1  B9R1.1  CC1=NC=C(C=N1)C=O M90332 [1,0,0,0,0,0|3,0,0]=4
2  B11R1.19  C1=CC(=CC=C1S)S(=O)(=O)O M19188 [0,1,0,0,0,0|1,1,0]=3
3  B11R1.166  C1=C(C(=O)NC(=O)N1)C(=O)O D23440 [0,1,0,0,0,0|2,0,1]=4
4  B11R1.166  C1=CC(=C(C=C1I)N)C(=O)O A12064 [0,1,0,0,0,0|1,0,0]=2
5  B9R1.35  CC1=CC(=CN1)C(=O)O M16417 [0,0,0,0,1,0|2,0,0]=3
6  B10R1.25  C1=CC(=C(C=C1Br)N)C=O A59658 [1,1,0,0,0,0|1,0,0]=3
7  B10R1.25  C1=CC(=C(C=C1Cl)N)C=O A59372 [1,1,0,0,0,0|1,0,0]=3
8  B10R1.25  C1=CC(=C(C=C1F)N)C=O A15890 [1,1,0,0,0,0|1,0,0]=3
9  B10R1.25  CC1=CC(=C(C=C1)C=O)N A59383 [1,1,0,0,0,0|1,0,0]=3
10  B12R1.48  CC1=C(C=CC(=C1)C(=O)O)OC M68042 [0,2,0,0,0,0|0,0,0]=2
11  B12R1.452  CC1=C(C=CC(=C1)OC)C(=O)N M13918 [0,2,0,0,0,0|1,0,0]=3
12  B12R1.452  CC1=C(C=CC(=C1)OC)C(=O)O M62574 [0,2,0,0,0,0|0,0,0]=2
13  B12R1.452  COC1=CC(=C(C=C1)C(=O)N)N B38911 [0,2,0,0,0,0|1,0,0]=3
14  B12R1.452  COC1=CC(=C(C=C1)C(=O)O)N A12071 [0,2,0,0,0,0|0,0,0]=2
15  B12R1.232  C1=C(C(=CC(=C1Cl)Br)N)C(=O)O A12321 [0,2,0,0,0,0|1,0,0]=3
16  B12R1.367  CC1=C(C=CC(=C1)C(=O)OC)O H14900 [0,2,0,0,0,0|0,0,0]=2
17  B12R1.1703  COC(=O)C1=C(C=C(C=C1)O)Cl C14760 [0,2,0,0,0,0|0,0,0]=2
18  B12R2.606  C1C2=C(C=CC(=C2)Cl)NC1=O C00231 [0,0,0,1,0,1|2,0,0]=4
19  B12R2.612  C1C2=C(C=CC(=C2)Br)C(=O)N1 B19390 [0,1,0,1,0,0|2,0,0]=4
20  B8R1.1  C1=C(OC=C1Br)C=O B08008 [1,0,0,0,1,0|2,0,0]=4
21  B12R1.21  C1=CC(=CC=C1C=C[N+](=O)[O-])O H07667 [0,0,0,0,0,2|1,0,1]=4