0 B12R1.71 COc1ccc(/C=C/CO)cc1 TN3049 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.71 COc1ccc(C=CC=O)cc1 TN3048 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.1 OCC=Cc1ccc(O)cc1 TN2028 [1,0,0,0,0,0|0,0,2]=3 3 B11R1.83 COc1ccc(C=CC)cc1 T0014 [1,0,0,0,0,0|0,0,1]=2 4 B11R1.83 COc1ccc(CC=C)cc1 T5649 [1,0,0,0,0,0|0,0,1]=2 5 B11R1.83 COc1ccc(cc1)/C=C/C T0762 [1,0,0,0,0,0|0,0,1]=2 6 B13R1.3 COc1ccc(/C=C/C(C)=O)cc1 T34091 [0,1,0,0,0,0|0,0,0]=1 7 B13R1.3 COc1ccc(/C=C/C(O)=O)cc1 T5875 [0,1,0,0,0,0|0,0,0]=1 8 B13R1.3 COc1ccc(CCC(C)=O)cc1 Fr12339 [0,1,0,0,0,0|0,0,2]=3 9 B13R1.5 COc1ccc(NC(=O)C=C)cc1 T50041 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.74 CN(C)c1ccc(C=CC=O)cc1 TN6657 [0,1,0,0,0,0|1,0,0]=2 11 B13R2.57 COc1ccc2ccccc2c1 T0573 [0,0,0,1,0,0|1,0,0]=2 12 B13R2.57 N#Cc1ccc2ccccc2c1 T20261 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [2,0,0,0,0,0|0,0,0]=2 14 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [2,0,0,0,0,0|0,0,0]=2 15 B10R1.17 O=CCCc1ccccc1 T20312 [2,0,0,0,0,0|0,0,2]=4 16 B10R1.17 OC/C=C/c1ccccc1 TN2982 [2,0,0,0,0,0|0,0,2]=4 17 B10R1.17 OCC=Cc1ccccc1 T5S1550 [2,0,0,0,0,0|0,0,2]=4 18 B10R1.3 COc1ccc(C=O)cc1 T7910 [2,0,0,0,0,0|0,0,0]=2 19 B10R1.3 COc1ccc(CO)cc1 T20309 [2,0,0,0,0,0|0,0,2]=4 20 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [1,1,0,0,0,0|0,0,2]=4 21 B12R1.21 CC(=O)OCc1ccc(C)cc1 T20468 [1,1,0,0,0,0|1,0,1]=4 22 B12R1.21 CC1=CC=C(C=C1)\C=C\C(=O)O PDK0101 [1,1,0,0,0,0|0,0,0]=2 23 B12R1.21 NC(=O)/C=C/c1ccc(O)cc1 TN3042 [1,1,0,0,0,0|0,0,0]=2 24 B12R1.21 O=C(O)C=CC1=CC=C(O)C=C1 T7053 [1,1,0,0,0,0|0,0,0]=2 25 B12R1.21 OC(=O)/C=C/c1ccc(O)cc1 T2863 [1,1,0,0,0,0|0,0,0]=2 26 B12R1.21 OC(=O)/C=C\c1ccc(O)cc1 TN6840 [1,1,0,0,0,0|0,0,0]=2 27 B12R1.21 OC(=O)C=Cc1ccc(Cl)cc1 TN6604 [1,1,0,0,0,0|1,0,0]=3 28 B12R1.21 OC(=O)CCc1ccc(O)cc1 T2862 [1,1,0,0,0,0|0,0,2]=4 29 B12R1.4 COc1ccc(CC(O)=O)cc1 T5590 [1,1,0,0,0,0|0,0,1]=3 30 B12R1.5 COC(=O)c1ccc(OC)cc1 T20257 [1,1,0,0,0,0|1,0,1]=4 31 B12R1.5 COc1ccc(cc1)C(=O)CBr T7541 [1,1,0,0,0,0|1,0,1]=4 32 B14R1.3 COc1ccc(OC(C)C([O-])=O)cc1 T35795 [0,2,0,0,0,0|1,0,1]=4 33 B14R1.5 COC(=O)CCc1ccc(OC)cc1 TN4528 [0,2,0,0,0,0|0,0,2]=4 34 B14R1.419 CN(C)c1ccc(C=CC(O)=O)cc1 TN6661 [0,2,0,0,0,0|1,0,0]=3 35 B14R1.419 OC(=O)/C=C/c1ccc(cc1)[N+]([O-])=O TN6605 [0,2,0,0,0,0|2,0,0]=4 36 B14R1.3653 COc1ccc(/C=C/C(O)=O)cc1O T2889 [0,2,0,0,0,0|0,0,0]=2 37 B14R1.6 COc1ccc(C=C(C#N)C#N)cc1 T7649 [0,2,0,0,0,0|1,0,1]=4 38 B14R1.793 COc1ccc(C/C=C\F)cc1OC T35291 [0,2,0,0,0,0|1,0,1]=4 39 B14R1.793 COc1ccc(\C=C\CO)cc1OC TN5922 [0,2,0,0,0,0|0,0,2]=4 40 B12R1.27 COC(=O)/C=C/c1ccccc1 T5552 [0,0,1,1,0,0|2,0,0]=4 41 B12R1.27 COC(=O)C=Cc1ccccc1 TN6703 [0,0,1,1,0,0|2,0,0]=4 42 B12R2.24 Clc1ccc2ccccc2c1 T20317 [1,0,0,1,0,0|2,0,0]=4 43 B12R2.24 Oc1ccc2ccccc2c1 T0671 [1,0,0,1,0,0|1,0,0]=3 44 B14R2.134 COc1ccc2ccc(=O)oc2c1 T7049 [0,1,0,1,0,0|0,0,0]=2 45 B14R2.2332 COc1ccc2cc(Br)ccc2c1 T0663 [0,1,0,1,0,0|1,0,0]=3 46 B14R2.781 CC(=O)c1ccc2ccccc2c1 T20587 [0,1,0,1,0,0|2,0,0]=4 47 B14R2.1 COc1ccc(cc1)-c2cnco2 T19972 [0,1,0,1,0,0|0,0,1]=3 48 B14R2.142 COc1ccc2CCCC(=O)c2c1 Fr12275 [0,1,0,1,0,0|0,0,2]=4 49 B14R2.2497 COc1ccc2[nH]cc(C=O)c2c1 T5151 [0,1,0,1,0,0|0,0,0]=2