0 B10R1.3 COc1ccc(C=O)cc1 T7910 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.3 COc1ccc(CO)cc1 T20309 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.1 CCc1ccc(O)cc1 T5883 [1,0,0,0,0,0|1,0,0]=2 3 B9R1.1 COc1ccc(F)cc1 T0528 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.1 COc1ccc(O)cc1 T0501 [1,0,0,0,0,0|0,0,0]=1 5 B9R1.1 NCc1ccc(O)cc1 T21095 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.1 NNc1ccc(Cl)cc1 T3167 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.1 OCc1ccc(O)cc1 T3752 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.1 OCc1ccc(cn1)O T40502 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.1 Oc1ccc(C=C)cc1 T13509 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [1,0,0,0,0,0|0,0,2]=3 11 B11R1.3 CC(C)c1ccc(C=O)cc1 T7441 [0,1,0,0,0,0|1,0,2]=4 12 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.3 COc1ccc(cc1)C(O)=O TCS0862 [0,1,0,0,0,0|0,0,1]=2 14 B11R1.3 COc1ccc(cn1)C(N)=O T8106 [0,1,0,0,0,0|1,0,2]=4 15 B11R1.3 NCc1ccc(cc1)C(O)=O T1252 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.3 OC(=O)c1ccc(C=O)cc1 T1691 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.83 COc1ccc(C=CC)cc1 T0014 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.83 COc1ccc(CC=C)cc1 T5649 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.83 COc1ccc(cc1)/C=C/C T0762 [0,1,0,0,0,0|1,0,1]=3 20 B11R1.279 CCc1ccc(OC)c(O)c1 T32841 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.279 COc1ccc(C=O)c(O)c1 T2A2524 [0,1,0,0,0,0|0,0,2]=3 22 B11R1.279 COc1ccc(C=O)cc1O T3740 [0,1,0,0,0,0|0,0,2]=3 23 B11R1.279 COc1ccc(CO)cc1O TN6810 [0,1,0,0,0,0|0,0,0]=1 24 B9R1.21 OCc1ccc(C=O)o1 T2943 [0,0,0,0,1,0|3,0,0]=4 25 B8R0.9 COC(=O)/C=C/C(O)=O T12095 [1,0,1,0,0,0|2,0,0]=4 26 B8R1.2 COc1cnccn1 TN6755 [2,0,0,0,0,0|2,0,0]=4 27 B8R1.2 NCc1ccccc1 TN3497 [2,0,0,0,0,0|1,0,0]=3 28 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|0,0,2]=4 30 B8R1.2 OCc1ccccc1 T0732 [2,0,0,0,0,0|0,0,0]=2 31 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|1,0,0]=3 32 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|1,0,0]=3 33 B8R1.3 Cc1cnc(C)cn1 T4801 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.3 Clc1ccc(Cl)cc1 T7431 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|0,0,0]=2 38 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.1 c1cc(ccc1CCN)O T3095 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [1,1,0,0,0,0|0,0,1]=3 44 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [1,1,0,0,0,0|0,0,2]=4 45 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [1,1,0,0,0,0|0,0,1]=3 47 B10R1.25 CCc1ccc(C)cc1O T29345 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.25 CSc1ccc(C)cc1O T33232 [1,1,0,0,0,0|0,1,0]=3 49 B10R1.25 Cc1ccc(C=O)c(O)c1 T36786 [1,1,0,0,0,0|0,0,2]=4 50 B10R1.25 Oc1ccc(C=O)c(O)c1 TN7051 [1,1,0,0,0,0|0,0,2]=4 51 B10R1.176 NCc1ccc(O)c(O)c1 T10104 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.176 OCc1cc(=O)c(O)co1 T5889 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.176 Oc1ccc(C=O)cc1O T3018 [1,1,0,0,0,0|0,0,2]=4 54 B12R1.5 COC(=O)c1ccc(OC)cc1 T20257 [0,2,0,0,0,0|0,0,1]=3 55 B12R1.5 COc1ccc(cc1)C(=O)CBr T7541 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.48 COc1ccc(cc1O)C(C)=O T10112 [0,2,0,0,0,0|0,0,2]=4 57 B12R1.48 COc1ccc(cc1O)C(O)=O T5767 [0,2,0,0,0,0|0,0,1]=3 58 B12R1.113 CCOc1ccc(cc1)C(O)=O T20455 [0,2,0,0,0,0|0,0,1]=3 59 B12R1.256 CC(C)c1ccc(cc1)C(O)=O T20488 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.452 COc1ccc(C(C)=O)c(O)c1 T2900 [0,2,0,0,0,0|0,0,2]=4 61 B12R1.452 COc1ccc(C(O)=O)c(O)c1 T2A2428 [0,2,0,0,0,0|0,0,1]=3 62 B12R1.4 COc1ccc(CC(O)=O)cc1 T5590 [0,2,0,0,0,0|0,0,0]=2 63 B12R1.71 COc1ccc(/C=C/CO)cc1 TN3049 [0,2,0,0,0,0|0,0,0]=2 64 B12R1.71 COc1ccc(C=CC=O)cc1 TN3048 [0,2,0,0,0,0|0,0,2]=4 65 B12R1.78 COc1ccc(C=O)cc1OC T5657 [0,2,0,0,0,0|0,0,2]=4 66 B12R1.78 COc1ccc(CO)cc1OC T0657 [0,2,0,0,0,0|0,0,0]=2 67 B12R1.450 COC1=CC(=O)C(OC)=CC1=O TN7087 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.450 COc1cc(Cl)c(OC)cc1Cl T20532 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.653 COc1ccc(C=O)c(O)c1O T21252 [0,2,0,0,0,0|0,0,2]=4