0  B15R2.1428  CCC\C=C/1\c2ccccc2C(=O)O1 CHEBI:68233 [0,1,0,0,0,0|0,0,0]=1
1  B13R1.572  CC[Hg]Sc1ccccc1C(=O)O CHEBI:33214 [0,0,1,0,0,0|2,0,0]=3
2  B13R1.572  CC[Hg]Sc1ccccc1C(=O)[O-] CHEBI:33215 [0,0,1,0,0,0|2,0,1]=4
3  B13R1.572  CC[Hg]Sc1ccccc1C(=O)[O-] CHEBI:9546 [0,0,1,0,0,0|2,0,1]=4
4  B12R1.30  CCCCC(=O)c1ccccc1 CHEBI:36812 [1,0,1,0,0,0|0,0,2]=4
5  B12R1.30  CCCNC(=O)c1ccccc1 CHEBI:84270 [1,0,1,0,0,0|1,0,1]=4
6  B12R1.283  c1ccc(c(c1)C(=O)O)NC=O CHEBI:36575 [1,0,1,0,0,0|2,0,0]=4
7  B12R2.2028  c1ccc2c(c1)C(=O)CC2=O CHEBI:78877 [2,0,0,0,0,0|2,0,0]=4
8  B12R2.2028  c1ccc2c(c1)C(=O)NC2=O CHEBI:38817 [2,0,0,0,0,0|2,0,0]=4
9  B12R2.2028  c1ccc2c(c1)C(=O)OC2=O CHEBI:36605 [2,0,0,0,0,0|1,0,0]=3
10  B12R2.2028  c1ccc2c(c1)C(=O)OI2O CHEBI:52699 [2,0,0,0,0,0|2,0,0]=4
11  B12R2.2028  c1ccc2c(c1)C(OC2=O)O CHEBI:495639 [2,0,0,0,0,0|1,0,1]=4
12  B14R1.19  CCCCOC(=O)c1ccc(cc1)N CHEBI:3231 [0,1,1,0,0,0|0,0,2]=4
13  B14R1.19  CCCCOC(=O)c1ccc(cc1)[NH3+] CHEBI:86302 [0,1,1,0,0,0|0,0,2]=4
14  B14R1.29  CCCC(=O)NC(=O)c1ccccc1 CHEBI:51515 [0,1,1,0,0,0|1,0,1]=4
15  B14R1.1035  CCCCOC(=O)c1ccccc1N CHEBI:86192 [0,1,1,0,0,0|0,0,2]=4
16  B14R1.623  CCOC(=O)c1ccccc1C(=O)O CHEBI:70973 [0,1,1,0,0,0|1,0,1]=4
17  B16R2.31647  CCC\C=C/1\c2cccc(c2C(=O)O1)O CHEBI:1458 [0,2,0,0,0,0|0,0,0]=2
18  B14R2.7724  CC1=CC(=O)c2ccccc2C1=O CHEBI:28869 [0,0,1,1,0,0|0,0,2]=4
19  B14R2.7724  Cc1cc(c2ccccc2c1O)O CHEBI:6746 [0,0,1,1,0,0|0,0,2]=4
20  B14R2.31359  c1ccc2c(c1)cccc2C(=O)O CHEBI:36466 [0,0,1,1,0,0|0,0,2]=4