0 B10R1.119 Cc1c(Cl)ccc(O)c1Cl T33980 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.119 Cc1c(O)c(=O)ccn1C T1565 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.3 Cc1cccc(O)c1O T3742 [1,0,0,0,0,0|1,0,0]=2 3 B9R1.3 Cc1occc(=O)c1O T5545 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.3 Cc1occc(=O)c1[O-] T27398 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.3 Oc1cccc(O)c1O T3749 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.69 Cc1cc(O)ccc1N T21284 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.69 Cc1cc(ccc1O)O TN4871 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.69 Cc1ccc(N)c(C)c1 T21114 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.69 Cc1ccc(O)c(N)c1 T9441 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.69 Cc1cnc(O)c(C)n1 T31572 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.69 Nc1ccc(F)cc1O T1370 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.69 OC1=CC=C(Cl)C=C1O T39598 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.69 Oc1cc(=O)[nH]cc1Cl T0987 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.32 Cc1c(Br)cc(Br)c(O)c1Br T21286 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.32 Cc1cc(O)c(Cl)c(C)c1Cl T20925 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.278 Cc1ncc(CO)c(C)c1O T38294 [0,1,0,0,0,0|1,0,0]=2 19 B9R1.37 CC1OC(=O)C(O)=C1C TN7031 [0,0,0,0,1,0|2,0,1]=4 20 B9R1.37 CC1OC(C)=C(O)C1=O T5547 [0,0,0,0,1,0|2,0,1]=4 21 B8R1.4 Cc1cccc(O)c1 T33229 [2,0,0,0,0,0|0,0,0]=2 22 B8R1.4 Cc1cccc([O-])c1 T33983 [2,0,0,0,0,0|0,0,1]=3 23 B8R1.4 Fc1cccc(Br)c1 T30352 [2,0,0,0,0,0|2,0,0]=4 24 B8R1.4 Fc1cccc(I)c1 T21183 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.4 Fc1cccc(S)c1 T21187 [2,0,0,0,0,0|1,1,0]=4 26 B8R1.4 Ic1cccc(I)c1 T21145 [2,0,0,0,0,0|2,0,0]=4 27 B8R1.4 Oc1cccc(I)c1 T21200 [2,0,0,0,0,0|1,0,0]=3 28 B8R1.4 Oc1cccc(O)n1 T4720 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.4 Oc1ccnc(O)c1 T7963 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.5 Cc1ncccc1O T5901 [2,0,0,0,0,0|1,0,0]=3 31 B8R1.5 Nc1ccccc1I T20285 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.5 Nc1ncccc1O T7923 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.5 Oc1coccc1=O TL0015 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.5 On1ccccc1=S T12593 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.3 Cc1cnc(C)cn1 T4801 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.3 Clc1ccc(Cl)cc1 T7431 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.2 CCc1occc(=O)c1O T5566 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.2 COc1cccc(Cl)c1Cl T1358 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.22 CC1=CC(=O)C=C(C)C1=O T4406 [1,1,0,0,0,0|0,0,1]=3 40 B10R1.22 Cc1cc(O)cc(C)c1Cl T0898 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.22 Oc1c(I)cc(I)cc1I T8628 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.245 COc1c(C)cccc1O T29355 [1,1,0,0,0,0|0,0,0]=2 43 B10R1.25 CCc1ccc(C)cc1O T29345 [1,1,0,0,0,0|0,0,0]=2 44 B10R1.25 CSc1ccc(C)cc1O T33232 [1,1,0,0,0,0|0,0,0]=2 45 B10R1.25 Cc1ccc(C=O)c(O)c1 T36786 [1,1,0,0,0,0|0,0,1]=3 46 B10R1.25 Oc1ccc(C=O)c(O)c1 TN7051 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.30 CCc1nc(C)ccc1O T7875 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.30 CCc1nc(C)ccc1O T8624 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.30 COc1cc(C)ccc1O T20446 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.30 COc1cc(N)ccc1O T21072 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.118 Cc1cc(O)c(Cl)cc1Cl T29426 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.118 Cc1nc(C)c(C)nc1C T2722 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.118 Cc1nc(C)c(C)nc1C T2953 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.118 Oc1cc(Cl)c(Cl)cc1Cl T34935 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.118 Oc1cc(Cl)c(Cl)cc1O T40421 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.176 NCc1ccc(O)c(O)c1 T10104 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.176 Oc1ccc(C=O)cc1O T3018 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.3795 Cc1c(Br)c(O)c(O)c(Br)c1Br T34205 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.652 Cc1ncc(CO)c(C=O)c1O T4761 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.652 Cc1ncc(CO)c(CN)c1O T4754 [0,2,0,0,0,0|1,0,0]=3 61 B12R1.652 Cc1ncc(CO)c(CO)c1O T0973 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.652 Cc1ncc(CO)c(CO)c1O T0973L [0,2,0,0,0,0|1,0,0]=3 63 B12R1.652 Cc1ncc(CO)c(CO)c1O T3269 [0,2,0,0,0,0|1,0,0]=3 64 B12R1.652 OCC1=C(CN)C(O)=C(C)N=C1 T12588 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.654 COc1ccc(Br)c(C=O)c1O T7483 [0,2,0,0,0,0|1,0,1]=4 66 B12R1.653 COc1ccc(C=O)c(O)c1O T21252 [0,2,0,0,0,0|1,0,1]=4