0  B12R1.125  CC(=CCc1ccccc1O)C CHEBI:1269 [0,0,0,0,0,0|2,0,1]=3
1  B12R1.125  c1ccc(c(c1)CCC(=O)O)O CHEBI:16104 [0,0,0,0,0,0|4,0,0]=4
2  B12R1.125  c1ccc(c(c1)CCC(=O)[O-])O CHEBI:46957 [0,0,0,0,0,0|4,0,0]=4
3  B11R1.17  CCSCc1ccccc1O CHEBI:38487 [1,0,0,0,0,0|3,0,0]=4
4  B11R1.91  CC(=O)OCc1ccccc1 CHEBI:52051 [1,0,0,0,0,0|3,0,0]=4
5  B11R1.91  c1ccc(cc1)CCC(=O)O CHEBI:28631 [1,0,0,0,0,0|3,0,0]=4
6  B11R1.91  c1ccc(cc1)CCC(=O)[O-] CHEBI:51057 [1,0,0,0,0,0|3,0,0]=4
7  B13R1.150  CC(=CCc1cccc(c1O)O)C CHEBI:62729 [0,1,0,0,0,0|2,0,1]=4
8  B13R1.164  Cc1cc(ccc1\N=C\N(C)C)Cl CHEBI:34629 [0,1,0,0,0,0|2,0,1]=4
9  B13R1.893  CC(=CCC1=CC(=O)C=CC1=O)C CHEBI:35796 [0,1,0,0,0,0|2,0,1]=4
10  B11R1.86  CC(C)Oc1ccccc1O CHEBI:38547 [0,0,0,0,1,0|3,0,0]=4
11  B10R1.4  c1ccc(c(c1)CCO)O CHEBI:64803 [2,0,0,0,0,0|2,0,0]=4
12  B10R1.17  CCCCc1ccccc1 CHEBI:44194 [2,0,0,0,0,0|1,0,0]=3
13  B10R1.17  CNCCc1ccccn1 CHEBI:35677 [2,0,0,0,0,0|1,0,0]=3
14  B10R1.17  c1ccc(cc1)CCC#N CHEBI:85426 [2,0,0,0,0,0|2,0,0]=4
15  B12R1.21  CC(=O)CCc1ccc(cc1)O CHEBI:68656 [1,1,0,0,0,0|2,0,0]=4
16  B12R1.21  CN(C)CCc1ccc(cc1)O CHEBI:5764 [1,1,0,0,0,0|0,0,0]=2
17  B12R1.226  CN(C)\C=N\c1cccc(c1)O CHEBI:38493 [1,1,0,0,0,0|1,0,1]=4
18  B12R1.891  C[Si](C)(C)OCc1ccccc1 CHEBI:76351 [1,1,0,0,0,0|2,0,0]=4
19  B12R2.1081  c1cc2c(c(c1)O)CCCC2 CHEBI:45900 [1,0,0,1,0,0|2,0,0]=4
20  B12R2.95  CC1(Cc2ccccc2O1)C CHEBI:38475 [0,0,0,1,1,0|2,0,0]=4
21  B10R1.18  CC(=O)Cc1ccccc1 CHEBI:52052 [1,0,0,0,1,0|2,0,0]=4
22  B10R1.18  CC(C)Cc1ccccc1 CHEBI:43261 [1,0,0,0,1,0|1,0,0]=3
23  B10R1.18  CC(Cc1ccccc1)N CHEBI:132233 [1,0,0,0,1,0|2,0,0]=4
24  B10R1.18  CC(Cc1ccccc1)N CHEBI:51063 [1,0,0,0,1,0|2,0,0]=4
25  B10R1.18  C[C@@H](Cc1ccccc1)N CHEBI:4469 [1,0,0,0,1,0|2,0,0]=4
26  B10R1.18  C[C@@H](Cc1ccccc1)N CHEBI:51064 [1,0,0,0,1,0|2,0,0]=4
27  B10R1.18  C[C@H](Cc1ccccc1)N CHEBI:42724 [1,0,0,0,1,0|2,0,0]=4
28  B10R1.61  CC(C)c1ccccc1O CHEBI:38506 [0,0,0,0,2,0|2,0,0]=4