0 B12R1.252 CC(=O)NCCc1ccccc1 CHEBI:18177 [1,0,0,0,0,0|1,0,0]=2 1 B12R1.252 CC(=O)OCCc1ccccc1 CHEBI:31988 [1,0,0,0,0,0|1,0,0]=2 2 B12R1.252 c1ccc(cc1)CCCC(=O)O CHEBI:41500 [1,0,0,0,0,0|0,0,0]=1 3 B12R1.252 c1ccc(cc1)CCCC(=O)[O-] CHEBI:75316 [1,0,0,0,0,0|0,0,1]=2 4 B12R1.252 c1ccc(cc1)CCCC(=O)[O-] CHEBI:75317 [1,0,0,0,0,0|0,0,1]=2 5 B14R1.163 COC(=O)CNC(=O)c1ccccc1 CHEBI:70869 [0,1,0,0,0,0|1,0,1]=3 6 B14R1.520 CCCC(=O)OCCc1ccccc1 CHEBI:87413 [0,1,0,0,0,0|2,0,0]=3 7 B14R1.6449 CC(C)C(=O)OCCc1ccccc1 CHEBI:87409 [0,1,0,0,0,0|2,0,0]=3 8 B14R1.6449 c1ccc(cc1)CCNC(=O)C(F)F CHEBI:42484 [0,1,0,0,0,0|3,0,0]=4 9 B14R2.95 COC(=O)c1c[nH]c2c1cccc2 CHEBI:65019 [0,0,0,1,0,0|1,0,2]=4 10 B14R2.4514 CN1[C@@H](CCC1=O)c2cccnc2 CHEBI:68641 [0,0,0,1,0,0|2,0,0]=3 11 B11R1.28 c1ccc(cc1)CCN=C=O CHEBI:60067 [2,0,0,0,0,0|1,0,1]=4 12 B11R1.28 c1ccc(cc1)CCOC=O CHEBI:87417 [2,0,0,0,0,0|1,0,0]=3 13 B13R1.337 CC(=O)OCCCc1ccccc1 CHEBI:81257 [1,1,0,0,0,0|2,0,0]=4 14 B13R1.45 c1cc(cnc1)C(=O)CCC(=O)O CHEBI:66951 [1,1,0,0,0,0|1,0,1]=4 15 B13R1.45 c1ccc(cc1)C(=O)CCC(=O)O CHEBI:64437 [1,1,0,0,0,0|0,0,1]=3 16 B13R1.45 c1ccc(cc1)C(=O)NCC(=O)O CHEBI:18089 [1,1,0,0,0,0|1,0,1]=4 17 B13R1.351 c1ccc(cc1)CC[C@@H](C(=O)O)N CHEBI:43103 [1,1,0,0,0,0|0,0,0]=2 18 B13R1.15 COC(=O)\C=C\c1cccc(c1)O CHEBI:131393 [0,1,0,0,1,0|0,0,2]=4 19 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N CHEBI:49339 [0,1,0,0,1,0|0,0,0]=2 20 B15R1.157 CCCCC(=O)OCCc1ccccc1 CHEBI:87323 [0,2,0,0,0,0|2,0,0]=4 21 B15R1.9095 CC(C)(C)C(=O)OCCc1ccccc1 CHEBI:87336 [0,2,0,0,0,0|2,0,0]=4 22 B13R2.10 c1ccc(cc1)C2=NCC(=O)O2 CHEBI:60296 [1,0,0,1,0,0|1,0,1]=4 23 B15R2.4 COC(=O)Cc1c[nH]c2c1cccc2 CHEBI:72782 [0,0,0,1,0,1|0,0,2]=4 24 B15R2.321 CN1[C@@H](C[C@H](C1=O)O)c2cccnc2 CHEBI:71182 [0,1,0,1,0,0|2,0,0]=4 25 B15R2.7137 CN1[C@@H](CCC1=O)c2ccc[n+](c2)[O-] CHEBI:89087 [0,1,0,1,0,0|2,0,0]=4 26 B15R3.794 c1cc2c3c(c1)CCN3C(=O)CC2 CHEBI:45141 [0,0,0,2,0,0|2,0,0]=4 27 B11R1.91 CC(=O)C#Cc1ccccc1 CHEBI:51731 [1,0,0,0,1,0|0,0,2]=4 28 B11R1.91 CC(=O)OCc1ccccc1 CHEBI:52051 [1,0,0,0,1,0|1,0,0]=3 29 B11R1.91 CC(=O)O[Hg]c1ccccc1 CHEBI:27684 [1,0,0,0,1,0|2,0,0]=4 30 B11R1.91 CC(=O)\C=C/c1ccccc1 CHEBI:78400 [1,0,0,0,1,0|0,0,2]=4 31 B11R1.91 CC(=O)\C=C\c1ccccc1 CHEBI:217301 [1,0,0,0,1,0|0,0,2]=4 32 B11R1.91 CC(=O)\C=C\c1ccccc1 CHEBI:78399 [1,0,0,0,1,0|0,0,2]=4 33 B11R1.91 c1ccc(cc1)C#CC(=O)O CHEBI:90355 [1,0,0,0,1,0|0,0,2]=4 34 B11R1.91 c1ccc(cc1)CCC(=O)O CHEBI:28631 [1,0,0,0,1,0|0,0,0]=2 35 B11R1.91 c1ccc(cc1)CCC(=O)[O-] CHEBI:51057 [1,0,0,0,1,0|0,0,1]=3 36 B11R1.91 c1ccc(cc1)NCC(=O)O CHEBI:55477 [1,0,0,0,1,0|1,0,0]=3 37 B11R1.91 c1ccc(cc1)OCC(=O)O CHEBI:8075 [1,0,0,0,1,0|1,0,0]=3 38 B11R1.91 c1ccc(cc1)OCC(=O)[O-] CHEBI:38846 [1,0,0,0,1,0|1,0,1]=4 39 B11R1.91 c1ccc(cc1)\C=C/C(=O)O CHEBI:35699 [1,0,0,0,1,0|0,0,2]=4 40 B11R1.91 c1ccc(cc1)\C=C\C(=O)O CHEBI:27386 [1,0,0,0,1,0|0,0,2]=4 41 B11R1.91 c1ccc(cc1)\C=C\C(=O)O CHEBI:35697 [1,0,0,0,1,0|0,0,2]=4 42 B11R1.172 c1cc(sc1)CCCC(=O)O CHEBI:40114 [1,0,0,0,1,0|1,0,0]=3