0  B10R1.66  c1cc(sc1)\C=C\C(=O)O LS20822 [0,0,0,0,0,0|1,1,2]=4
1  B9R1.13  c1c(nc[nH]1)CC(=O)O LS20933 [0,0,0,0,1,0|3,0,0]=4
2  B9R1.13  c1cc(oc1)CC(=O)O LS40055 [0,0,0,0,1,0|1,0,0]=2
3  B9R1.13  c1cc(sc1)CC(=O)Cl LS21114 [0,0,0,0,1,0|1,1,0]=3
4  B9R1.13  c1cc(sc1)CC(=O)O LS20649 [0,0,0,0,1,0|1,1,0]=3
5  B11R1.91  CC(=O)CCc1ccccc1 LS10597 [0,0,0,0,0,1|1,0,0]=2
6  B11R1.91  CC(CCc1ccccc1)N LS10632 [0,0,0,0,0,1|2,0,1]=4
7  B11R1.91  c1ccc(cc1)COC(=O)N LS40379 [0,0,0,0,0,1|3,0,0]=4
8  B8R1.8  c1cc(sc1)CCN LS21113 [2,0,0,0,0,0|1,1,0]=4
9  B8R1.8  c1cc(sc1)CCO LS21112 [2,0,0,0,0,0|0,1,1]=4
10  B12R1.21  CC(=O)CCc1ccc(cc1)O LS40102 [0,1,0,0,0,1|1,0,0]=3
11  B12R1.107  c1ccc(cc1)C(CC(=O)O)N LS11551 [0,1,0,0,0,1|2,0,0]=4
12  B12R1.107  c1ccc(cc1)C(CC(=O)O)O LS11565 [0,1,0,0,0,1|2,0,0]=4
13  B12R1.107  c1ccc(cc1)[C@@H](CC(=O)O)N LS30112 [0,1,0,0,0,1|2,0,0]=4
14  B12R1.107  c1ccc(cc1)[C@H](CC(=O)O)N LS30295 [0,1,0,0,0,1|2,0,0]=4
15  B12R1.107  c1ccc(cc1)[C@H](CC(=O)O)N LS30296 [0,1,0,0,0,1|2,0,0]=4
16  B10R1.61  CC(=O)c1ccccc1O LS10607 [0,0,1,1,0,0|0,0,2]=4
17  B12R2.24  c1ccc2c(c1)CCC(=O)C2 LS41173 [0,0,0,1,0,1|1,0,0]=3
18  B8R1.7  CC(=O)c1c[nH]cn1 LS20519 [0,0,0,0,2,0|2,0,0]=4
19  B8R1.7  CC(=O)c1cccs1 LS20643 [0,0,0,0,2,0|0,1,0]=3
20  B8R1.7  CC(=O)c1ccsc1 LS20391 [0,0,0,0,2,0|2,0,0]=4
21  B8R1.7  c1cc([nH]c1)C(=O)O LS20064 [0,0,0,0,2,0|2,0,0]=4
22  B8R1.7  c1cc(sc1)C(=O)Cl LS20650 [0,0,0,0,2,0|1,1,0]=4
23  B8R1.7  c1cc(sc1)C(=O)O LS20648 [0,0,0,0,2,0|1,1,0]=4
24  B8R1.7  c1cc(sc1)C(=O)[O-] LS21106 [0,0,0,0,2,0|1,1,0]=4
25  B8R1.7  c1cnoc1C(=O)O LS20280 [0,0,0,0,2,0|2,0,0]=4
26  B12R1.252  c1ccc(cc1)CCCC(=O)O LS10686 [0,0,0,0,0,2|2,0,0]=4
27  B12R1.252  c1ccc(cc1)CNCC(=O)O LS40466 [0,0,0,0,0,2|2,0,0]=4
28  B12R1.252  c1ccc(cc1)COCC(=O)O LS10747 [0,0,0,0,0,2|2,0,0]=4