0  B12R1.32  CCNC(=O)Cc1ccccc1 CHEBI:4737 [1,0,0,0,0,0|1,0,0]=2
1  B12R1.252  CC(=O)OCCc1ccccc1 CHEBI:31988 [1,0,0,0,0,0|1,0,2]=4
2  B14R1.5978  CC(C)OC(=O)Nc1cccc(c1)Cl CHEBI:34630 [0,1,0,0,0,0|1,0,0]=2
3  B12R1.43  c1ccc(cc1)CC(=O)C(=O)O CHEBI:30851 [0,0,0,0,1,0|2,0,1]=4
4  B12R1.43  c1ccc(cc1)CC(=O)C(=O)[O-] CHEBI:18005 [0,0,0,0,1,0|2,0,1]=4
5  B12R1.107  CC(=O)OC(=O)c1ccccc1 CHEBI:36633 [0,0,0,0,1,0|1,0,1]=3
6  B13R1.44  c1ccc(cc1)CC(=O)NCC=O CHEBI:60542 [1,1,0,0,0,0|1,0,1]=4
7  B13R1.47  CCOC(=O)C(=O)c1ccccc1 CHEBI:84260 [1,1,0,0,0,0|0,0,1]=3
8  B13R1.47  CCOC(=O)C(c1ccccc1)O CHEBI:38750 [1,1,0,0,0,0|0,0,0]=2
9  B13R1.47  CCOC(=O)[C@@H](c1ccccc1)O CHEBI:78406 [1,1,0,0,0,0|0,0,0]=2
10  B13R1.47  CCOC(=O)[C@H](c1ccccc1)O CHEBI:78405 [1,1,0,0,0,0|0,0,0]=2
11  B13R1.133  CN(C)C(=O)Nc1ccc(cc1)Cl CHEBI:38214 [0,1,0,0,1,0|2,0,0]=4
12  B13R1.201  CC(C)OC(=O)c1ccccc1O CHEBI:38703 [0,1,0,0,1,0|0,0,0]=2
13  B13R1.352  CC(C)(C)OC(=O)c1ccccc1 CHEBI:34034 [0,1,0,0,1,0|0,0,0]=2
14  B15R1.3678  CC(C(C)O)C(=O)OCc1ccccc1 CHEBI:22748 [0,1,0,0,0,1|2,0,0]=4
15  B15R1.3678  C[C@H]([C@H](C)O)C(=O)OCc1ccccc1 CHEBI:16239 [0,1,0,0,0,1|2,0,0]=4
16  B13R2.64  c1ccc(cc1)CC2=NCCN2 CHEBI:28502 [1,0,0,1,0,0|2,0,0]=4
17  B13R2.359  CC1(c2ccccc2NC1=O)O CHEBI:28254 [0,0,0,1,1,0|2,0,0]=4
18  B11R1.16  C=COC(=O)c1ccccc1 CHEBI:84279 [1,0,0,0,1,0|0,0,2]=4
19  B11R1.16  COCC(=O)c1ccccc1 CHEBI:52400 [1,0,0,0,1,0|2,0,0]=4
20  B11R1.91  CC(=O)OCc1ccccc1 CHEBI:52051 [1,0,0,0,1,0|1,0,1]=4
21  B11R1.36  CC(=O)C(=O)c1ccccc1 CHEBI:63552 [0,0,0,0,2,0|1,0,1]=4
22  B11R1.36  CC(C(=O)c1ccccc1)N CHEBI:59332 [0,0,0,0,2,0|1,0,0]=3
23  B11R1.36  CC(C(=O)c1ccccc1)O CHEBI:63553 [0,0,0,0,2,0|1,0,0]=3
24  B11R1.36  C[C@@H](C(=O)c1ccccc1)N CHEBI:4110 [0,0,0,0,2,0|1,0,0]=3
25  B13R1.42  c1ccc(cc1)CCC(=O)CCO CHEBI:66037 [1,0,0,0,0,1|2,0,0]=4