0 B13R1.42 c1ccc(cc1)CCC(=O)CCO CHEBI:66037 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.29 CCCC(=O)NC(=O)c1ccccc1 CHEBI:51515 [0,1,0,0,0,0|2,0,0]=3 2 B14R1.60 CCOC(=O)C(Cc1ccccc1)O CHEBI:87513 [0,1,0,0,0,0|0,0,2]=3 3 B12R1.32 CCNC(=O)Cc1ccccc1 CHEBI:4737 [0,0,0,0,1,0|1,0,1]=3 4 B14R1.520 CCCC(=O)OCCc1ccccc1 CHEBI:87413 [0,0,0,0,0,1|1,0,2]=4 5 B11R1.91 CC(=O)C#Cc1ccccc1 CHEBI:51731 [2,0,0,0,0,0|0,0,2]=4 6 B11R1.91 CC(=O)OCc1ccccc1 CHEBI:52051 [2,0,0,0,0,0|1,0,1]=4 7 B11R1.91 CC(=O)O[Hg]c1ccccc1 CHEBI:27684 [2,0,0,0,0,0|2,0,0]=4 8 B11R1.91 CC(=O)\C=C/c1ccccc1 CHEBI:78400 [2,0,0,0,0,0|0,0,0]=2 9 B11R1.91 CC(=O)\C=C\c1ccccc1 CHEBI:217301 [2,0,0,0,0,0|0,0,0]=2 10 B11R1.91 CC(=O)\C=C\c1ccccc1 CHEBI:78399 [2,0,0,0,0,0|0,0,0]=2 11 B11R1.91 c1ccc(cc1)C#CC(=O)O CHEBI:90355 [2,0,0,0,0,0|0,0,2]=4 12 B11R1.91 c1ccc(cc1)CCC(=O)O CHEBI:28631 [2,0,0,0,0,0|0,0,2]=4 13 B11R1.91 c1ccc(cc1)NCC(=O)O CHEBI:55477 [2,0,0,0,0,0|1,0,1]=4 14 B11R1.91 c1ccc(cc1)OCC(=O)O CHEBI:8075 [2,0,0,0,0,0|1,0,1]=4 15 B11R1.91 c1ccc(cc1)\C=C/C(=O)N CHEBI:76321 [2,0,0,0,0,0|1,0,0]=3 16 B11R1.91 c1ccc(cc1)\C=C/C(=O)O CHEBI:35699 [2,0,0,0,0,0|0,0,0]=2 17 B11R1.91 c1ccc(cc1)\C=C/C(=O)[O-] CHEBI:35700 [2,0,0,0,0,0|0,0,1]=3 18 B11R1.91 c1ccc(cc1)\C=C\C(=O)N CHEBI:23246 [2,0,0,0,0,0|1,0,0]=3 19 B11R1.91 c1ccc(cc1)\C=C\C(=O)N CHEBI:76320 [2,0,0,0,0,0|1,0,0]=3 20 B11R1.91 c1ccc(cc1)\C=C\C(=O)O CHEBI:27386 [2,0,0,0,0,0|0,0,0]=2 21 B11R1.91 c1ccc(cc1)\C=C\C(=O)O CHEBI:35697 [2,0,0,0,0,0|0,0,0]=2 22 B11R1.91 c1ccc(cc1)\C=C\C(=O)[O-] CHEBI:15669 [2,0,0,0,0,0|0,0,1]=3 23 B11R1.91 c1ccc(cc1)\C=C\C(=O)[O-] CHEBI:23248 [2,0,0,0,0,0|0,0,1]=3 24 B13R1.337 CC(=O)OC\C=C\c1ccccc1 CHEBI:31402 [1,1,0,0,0,0|0,0,2]=4 25 B13R1.15 COC(=O)\C=C\c1cccc(c1)O CHEBI:131393 [1,1,0,0,0,0|0,0,0]=2 26 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N CHEBI:49339 [1,1,0,0,0,0|0,0,2]=4 27 B13R1.47 CCOC(=O)C(=O)c1ccccc1 CHEBI:84260 [0,1,0,0,1,0|0,0,0]=2 28 B13R1.47 CCOC(=O)C(c1ccccc1)O CHEBI:38750 [0,1,0,0,1,0|0,0,1]=3 29 B13R1.47 CCOC(=O)[C@@H](c1ccccc1)O CHEBI:78406 [0,1,0,0,1,0|0,0,1]=3 30 B13R1.47 CCOC(=O)[C@H](c1ccccc1)O CHEBI:78405 [0,1,0,0,1,0|0,0,1]=3 31 B15R1.10390 CCOC(=O)\C=C\c1ccc(c(c1)O)O CHEBI:132714 [0,2,0,0,0,0|0,0,0]=2 32 B15R1.48 CCOC(=O)[C@H](Cc1ccc(cc1)O)N CHEBI:9798 [0,2,0,0,0,0|0,0,2]=4 33 B15R1.5919 c1ccc(cc1)\C=C\C(=O)NCC(=O)O CHEBI:68616 [0,2,0,0,0,0|1,0,1]=4 34 B15R1.5919 c1ccc(cc1)\C=C\C(=O)NCC(=O)[O-] CHEBI:133605 [0,2,0,0,0,0|1,0,1]=4 35 B13R2.1613 c1ccc2c(c1)cccc2CO CHEBI:38137 [1,0,0,1,0,0|2,0,0]=4 36 B13R2.10 c1ccc(cc1)C2=NCC(=O)O2 CHEBI:60296 [1,0,0,1,0,0|2,0,0]=4 37 B13R2.32 Cc1ccc2ccccc2c1C CHEBI:34052 [1,0,0,1,0,0|1,0,1]=4 38 B13R2.57 COc1ccc2c(c1)cccn2 CHEBI:72822 [1,0,0,1,0,0|2,0,0]=4 39 B13R2.57 c1ccc2cc(ccc2c1)CO CHEBI:27615 [1,0,0,1,0,0|2,0,0]=4 40 B15R2.1282 CCOc1ccc2ccc(=O)oc2c1 CHEBI:28184 [0,1,0,1,0,0|2,0,0]=4 41 B11R1.16 C=COC(=O)c1ccccc1 CHEBI:84279 [0,0,0,0,2,0|0,0,2]=4 42 B11R1.16 COCC(=O)c1ccccc1 CHEBI:52400 [0,0,0,0,2,0|2,0,0]=4