0  B9R0.55  C(=C/C(=O)O)/C=C\C(=O)O DA-47820 [0,0,0,0,0,0|0,0,0]=0
1  B10R1.54  c1cc(sc1CC(=O)O)Cl DA-37545 [0,0,0,1,0,0|1,1,1]=4
2  B10R1.54  c1cc(sc1CC(=O)O)I DA-37278 [0,0,0,1,0,0|1,1,1]=4
3  B10R1.113  c1cc([nH]c(=O)c1)C(=O)Cl DA-30155 [0,0,0,1,0,0|2,0,0]=3
4  B10R1.113  c1cnc(nc1C(=O)O)Cl DA-44173 [0,0,0,1,0,0|3,0,0]=4
5  B10R1.113  c1coc(cc1=O)C(=O)O DA-39015 [0,0,0,1,0,0|2,0,0]=3
6  B9R1.2  c1cc([nH]c(=O)c1)CO DA-36752 [1,0,0,1,0,0|1,0,1]=4
7  B9R1.41  c1c(c(no1)C(=O)O)O DA-39350 [1,0,0,1,0,0|2,0,0]=4
8  B9R1.41  c1c[nH]c(c1Br)C(=O)O DA-24076 [1,0,0,1,0,0|2,0,0]=4
9  B9R1.41  c1c[nH]c(c1Cl)C(=O)O DA-23866 [1,0,0,1,0,0|2,0,0]=4
10  B9R1.41  c1coc(c1C(=O)O)Cl DA-26661 [1,0,0,1,0,0|2,0,0]=4
11  B9R1.41  c1coc(c1C(=O)O)I DA-28916 [1,0,0,1,0,0|2,0,0]=4
12  B9R1.41  c1csc(c1C(=O)O)I DA-26099 [1,0,0,1,0,0|2,0,0]=4
13  B9R1.35  c1c(oc(=O)[nH]1)C(=O)O DA-27415 [0,0,0,1,1,0|1,0,0]=3
14  B11R1.178  C1C(=C(CO1)C(=O)O)C(=O)O DA-42042 [0,0,0,1,0,1|0,0,2]=4
15  B11R1.178  c1nc(c(s1)C(=O)O)C(=O)O DA-21942 [0,0,0,1,0,1|1,0,0]=3
16  B11R1.159  CC(=O)c1cccc(c1Br)O DA-31496 [0,1,0,1,0,0|2,0,0]=4
17  B11R1.159  CC(=O)c1cccc(c1O)Br DA-31743 [0,1,0,1,0,0|2,0,0]=4
18  B11R1.159  c1c(c(c(cn1)Br)O)C(=O)O DA-37743 [0,1,0,1,0,0|2,0,0]=4
19  B11R1.159  c1c[nH]c(=O)c(c1C(=O)Cl)O DA-30315 [0,1,0,1,0,0|2,0,0]=4
20  B11R1.159  c1c[nH]c(=O)c(c1C(=O)O)O DA-30316 [0,1,0,1,0,0|1,0,0]=3
21  B11R1.159  c1cc(c(c(c1)Br)O)C(=O)N DA-24052 [0,1,0,1,0,0|2,0,0]=4
22  B11R1.159  c1cc(c(c(c1)F)O)C(=O)N DA-41634 [0,1,0,1,0,0|2,0,0]=4
23  B11R1.266  COc1cccc(n1)C(=O)Cl DA-36050 [0,1,0,1,0,0|2,0,0]=4
24  B11R1.167  Cc1ccc(c(n1)C(=O)O)F DA-23601 [0,1,0,1,0,0|2,0,0]=4
25  B11R1.167  Cc1ccc(c(n1)C(=O)O)N DA-25576 [0,1,0,1,0,0|2,0,0]=4
26  B11R1.21  CC(=O)c1ccc(c(c1)O)Br DA-31072 [0,1,0,1,0,0|2,0,0]=4
27  B11R1.21  c1cc(c(cc1C(=O)N)O)N DA-21337 [0,1,0,1,0,0|2,0,0]=4
28  B11R1.21  c1cc(c(cc1C(=O)[O-])O)O DA-40560 [0,1,0,1,0,0|1,0,1]=4