0 B10R1.172 CCc1cccc(C=C)c1 T34728 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.172 CCc1cccc(C=O)c1 T21173 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.172 N#Cc1cccc(c1)C#N T21137 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.172 O=Cc1cccc(c1)C#N T21188 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.2 CCc1cccc(N)c1 T21169 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.2 CCc1cccc(O)c1 T21170 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.2 CNc1cccc(C)c1 T0557 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.2 COc1cccc(Br)c1 T21218 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.2 COc1cccc(C)c1 T21278 [1,0,0,0,0,0|0,0,0]=1 9 B9R1.2 COc1cccc(O)c1 T20294 [1,0,0,0,0,0|0,0,0]=1 10 B9R1.2 Cc1cccc(c1)[I]=O T32169 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.2 ClCc1cccc(Cl)c1 T21091 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.2 Fc1cccc(C=O)c1 T21180 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.2 Fc1cccc(CCl)c1 T21179 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.2 OCc1cccc(I)c1 T21214 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.2 OCc1cccc(O)c1 T4760 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.2 Oc1cccc(C=O)c1 T4778 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.9 COc1cc(C)cc(OC)c1 TN6822 [0,1,0,0,0,0|0,0,0]=1 18 B11R1.9 COc1cc(O)cc(OC)c1 T7438 [0,1,0,0,0,0|0,0,0]=1 19 B11R1.189 CCOc1cccc(C=O)c1 T21171 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.189 COc1cccc(CCN)c1 T7855 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.266 CCc1cccc(c1)C(C)C T31110 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.266 COc1cccc(c1)C(N)=O T7439 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.266 COc1cccc(c1)C(O)=O T5982 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.267 COc1cccc(C=O)c1O TN6748 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.267 COc1cccc(OC)c1O TN5088 [0,1,0,0,0,0|0,0,0]=1 26 B11R1.280 CCc1ccc(O)c(OC)c1 TN6935 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.280 COc1cc(C=C)ccc1O T8197 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.280 COc1cc(C=O)ccc1O T6717 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.280 COc1cc(CN)ccc1O T1356 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.280 COc1cc(CO)ccc1O T2860 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.2 COc1cnccn1 TN6755 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.2 NCc1ccccc1 TN3497 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.2 OCc1ccccc1 T0732 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.4 Cc1cccc(O)c1 T33229 [2,0,0,0,0,0|0,0,0]=2 36 B8R1.4 Cc1cccc([O-])c1 T33983 [2,0,0,0,0,0|0,0,1]=3 37 B8R1.4 Fc1cccc(Br)c1 T30352 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.4 Fc1cccc(I)c1 T21183 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.4 Fc1cccc(S)c1 T21187 [2,0,0,0,0,0|1,1,0]=4 40 B8R1.4 Ic1cccc(I)c1 T21145 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.4 Oc1cccc(I)c1 T21200 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.4 Oc1cccc(O)n1 T4720 [2,0,0,0,0,0|1,0,0]=3 43 B8R1.4 Oc1ccnc(O)c1 T7963 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.2 COc1cccc(Cl)c1Cl T1358 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.8 CCc1cc(C)cc(O)c1 T29396 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.10 CCOc1cccc(O)c1 T20297 [1,1,0,0,0,0|0,0,0]=2 47 B10R1.10 Cc1cccc(CC#N)c1 T33456 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.10 NCCc1cccc(O)c1 T11937 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.10 NCCc1cccc(O)c1 T11937L [1,1,0,0,0,0|1,0,0]=3 50 B10R1.10 NNCc1cccc(O)c1 T29406 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.30 CCc1nc(C)ccc1O T7875 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.30 CCc1nc(C)ccc1O T8624 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.30 COc1cc(C)ccc1O T20446 [1,1,0,0,0,0|0,0,0]=2 54 B10R1.30 COc1cc(N)ccc1O T21072 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.113 CC(=C)c1cccc(C)c1 T33400 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.113 CC(C)c1cccc(C)c1 TN6950 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.113 CC(O)c1cccc(N)c1 T21106 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.113 CN(C)c1cccc(C)c1 T21088 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.113 Cc1cccc(c1)C(Cl)=O T7850 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.113 OC(=O)c1cccc(O)c1 T4840 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.113 Oc1cccc(c1)C([O-])=O T21204 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.176 NCc1ccc(O)c(O)c1 T10104 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.176 Oc1ccc(C=O)cc1O T3018 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.58 COc1cc(CO)cc(OC)c1 TN6534 [0,2,0,0,0,0|0,0,0]=2 66 B12R1.58 COc1cc(OC)cc(OC)c1 T5554 [0,2,0,0,0,0|0,0,0]=2 67 B12R1.235 COC1=CC(=O)C=C(OC)C1=O T3739 [0,2,0,0,0,0|0,0,0]=2 68 B12R1.235 COc1cc(C)cc(OC)c1O PDK0327 [0,2,0,0,0,0|0,0,0]=2 69 B12R1.270 CCOc1cc(C=O)ccc1O T0491 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.279 CC(C)c1cccc(CCO)c1 T30357 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.279 CCOc1cccc(c1)C(N)=O T21172 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.279 CCOc1cccc(c1)[N+]([O-])=O T20429 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.286 COc1cc(C=CC)ccc1O T2S0493 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.286 COc1cc(CC=C)ccc1O T1297 [0,2,0,0,0,0|1,0,1]=4 75 B12R1.286 COc1cc(CCN)ccc1O T4710 [0,2,0,0,0,0|1,0,0]=3 76 B12R1.286 COc1cc(CCN)ccc1O T8269 [0,2,0,0,0,0|1,0,0]=3 77 B12R1.286 COc1cc(CCO)ccc1O TN1742 [0,2,0,0,0,0|1,0,0]=3 78 B12R1.438 CCc1cccc(OC(C)=O)c1 T34011 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.438 COc1cccc(CC(O)=O)c1 Fr13883 [0,2,0,0,0,0|1,0,1]=4 80 B12R1.56 COc1cc(ccc1O)C(C)=O T6391 [0,2,0,0,0,0|1,0,0]=3 81 B12R1.56 COc1cc(ccc1O)C(O)=O T9115 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.258 CC(=C)c1cccc(c1)C(C)=C T21146 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.453 COc1ccc(O)c(c1)C(C)=O T3760 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.453 COc1ccc(O)c(c1)C(O)=O T5888 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.654 COc1ccc(Br)c(C=O)c1O T7483 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.1879 COc1cccc(C=O)c1OC T2975 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.78 COc1ccc(C=O)cc1OC T5657 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.78 COc1ccc(CO)cc1OC T0657 [0,2,0,0,0,0|2,0,0]=4 89 B10R1.3 COc1ccc(C=O)cc1 T7910 [0,0,0,0,1,1|2,0,0]=4 90 B10R1.3 COc1ccc(CO)cc1 T20309 [0,0,0,0,1,1|2,0,0]=4