0 B9R1.69 Cc1cc(O)ccc1N T21284 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.69 Cc1cc(ccc1O)O TN4871 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.69 Cc1ccc(N)c(C)c1 T21114 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.69 Cc1ccc(O)c(N)c1 T9441 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [0,0,0,0,0,0|1,0,1]=2 6 B9R1.69 Cc1cnc(O)c(C)n1 T31572 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.69 Nc1ccc(F)cc1O T1370 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.69 OC1=CC=C(Cl)C=C1O T39598 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.69 Oc1cc(=O)[nH]cc1Cl T0987 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.3 Cc1cnc(C)cn1 T4801 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.3 Clc1ccc(Cl)cc1 T7431 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.3 Nc1ccc(Cl)nc1 T7234 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.3 O=c1ccc(=O)[nH][nH]1 T20781 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.4 Cc1cccc(O)c1 T33229 [1,0,0,0,0,0|1,0,0]=2 15 B8R1.4 Cc1cccc([O-])c1 T33983 [1,0,0,0,0,0|1,0,1]=3 16 B8R1.4 Fc1cccc(Br)c1 T30352 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.4 Fc1cccc(I)c1 T21183 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.4 Fc1cccc(S)c1 T21187 [1,0,0,0,0,0|2,1,0]=4 19 B8R1.4 Ic1cccc(I)c1 T21145 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.4 Oc1cccc(I)c1 T21200 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.4 Oc1cccc(O)n1 T4720 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.4 Oc1ccnc(O)c1 T7963 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.5 Cc1ncccc1O T5901 [1,0,0,0,0,0|1,0,1]=3 24 B8R1.5 Nc1ccccc1I T20285 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.5 Nc1ncccc1O T7923 [1,0,0,0,0,0|1,0,1]=3 26 B8R1.5 Oc1coccc1=O TL0015 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.5 On1ccccc1=S T12593 [1,0,0,0,0,0|2,1,0]=4 28 B10R1.22 CC1=CC(=O)C=C(C)C1=O T4406 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.25 CCc1ccc(C)cc1O T29345 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.25 CSc1ccc(C)cc1O T33232 [0,1,0,0,0,0|1,1,0]=3 31 B10R1.25 Cc1ccc(C=O)c(O)c1 T36786 [0,1,0,0,0,0|1,0,0]=2 32 B10R1.25 Oc1ccc(C=O)c(O)c1 TN7051 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.30 COc1cc(C)ccc1O T20446 [0,1,0,0,0,0|1,0,1]=3 34 B10R1.30 COc1cc(N)ccc1O T21072 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.30 Cn1ccc(=O)c(c1)C#N TN4488 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.118 Cc1cc(O)c(Cl)cc1Cl T29426 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.118 Oc1cc(Cl)c(Cl)cc1Cl T34935 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.118 Oc1cc(Cl)c(Cl)cc1O T40421 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.119 Cc1c(O)c(=O)ccn1C T1565 [0,1,0,0,0,0|2,0,0]=3 40 B10R1.176 NCc1ccc(O)c(O)c1 T10104 [0,1,0,0,0,0|1,0,1]=3 41 B10R1.176 Oc1ccc(C=O)cc1O T3018 [0,1,0,0,0,0|1,0,2]=4 42 B8R1.18 CC1=CC(=O)OC1=O TN6957 [0,0,0,0,1,0|3,0,0]=4 43 B8R1.18 CC1=C[C@@H](O)NC1=O T32272 [0,0,0,0,1,0|2,0,1]=4 44 B8R1.18 CC1OC(C)=CC1=O T22309 [0,0,0,0,1,0|2,0,1]=4 45 B8R1.18 O=C1NC(=O)C(=O)N1 T20548 [0,0,0,0,1,0|2,0,1]=4 46 B7R0.4 C/C=C/C=C/C(O)=O T8019 [1,0,1,0,0,0|2,0,0]=4 47 B7R0.6 NC(=O)/C=C\C(O)=O T4905 [1,0,1,0,0,0|2,0,0]=4 48 B7R1.3 Cc1ccccn1 T21323 [2,0,0,0,0,0|1,0,1]=4 49 B7R1.3 O=C1NCCC=C1 TN3081 [2,0,0,0,0,0|0,0,2]=4 50 B7R1.3 O=c1cccc[nH]1 T4805 [2,0,0,0,0,0|0,0,0]=2 51 B9R1.1 CCc1ccc(O)cc1 T5883 [1,1,0,0,0,0|1,0,1]=4 52 B9R1.1 COc1ccc(F)cc1 T0528 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.1 COc1ccc(O)cc1 T0501 [1,1,0,0,0,0|1,0,1]=4 54 B9R1.1 NCc1ccc(O)cc1 T21095 [1,1,0,0,0,0|1,0,1]=4 55 B9R1.1 OCc1ccc(O)cc1 T3752 [1,1,0,0,0,0|1,0,1]=4 56 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.2 CCc1cccc(N)c1 T21169 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.2 CCc1cccc(O)c1 T21170 [1,1,0,0,0,0|1,0,0]=3 59 B9R1.2 CNc1cccc(C)c1 T0557 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.2 COc1cccc(Br)c1 T21218 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.2 COc1cccc(C)c1 T21278 [1,1,0,0,0,0|1,0,0]=3 62 B9R1.2 COc1cccc(O)c1 T20294 [1,1,0,0,0,0|1,0,0]=3 63 B9R1.2 Cc1cccc(c1)[I]=O T32169 [1,1,0,0,0,0|1,0,1]=4 64 B9R1.2 ClCc1cccc(Cl)c1 T21091 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.2 Fc1cccc(CCl)c1 T21179 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.2 OCc1cccc(I)c1 T21214 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.2 OCc1cccc(O)c1 T4760 [1,1,0,0,0,0|1,0,0]=3 68 B9R1.2 Oc1cccc(C=O)c1 T4778 [1,1,0,0,0,0|1,0,1]=4 69 B9R1.3 Cc1cccc(O)c1O T3742 [1,1,0,0,0,0|1,0,0]=3 70 B9R1.3 O=C1C(I)=CNC=C1I T32182 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.3 Oc1cccc(O)c1O T3749 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.34 Cc1cc(O)cc(O)c1 T3748 [1,1,0,0,0,0|1,0,0]=3 73 B9R1.15 COc1ccccc1O T1301 [1,1,0,0,0,0|1,0,1]=4 74 B9R1.15 NCc1ccccc1O T41358 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.15 OCc1ccccc1O T0311 [1,1,0,0,0,0|1,0,1]=4 76 B9R1.22 Cc1cc(C)c(C=O)[nH]1 T21347 [0,1,0,0,1,0|1,0,0]=3 77 B9R1.37 CC1OC(=O)C(O)=C1C TN7031 [0,1,0,0,1,0|1,0,1]=4 78 B11R1.32 Cc1c(Br)cc(Br)c(O)c1Br T21286 [0,2,0,0,0,0|2,0,0]=4 79 B11R1.32 Cc1cc(O)c(Cl)c(C)c1Cl T20925 [0,2,0,0,0,0|2,0,0]=4 80 B11R1.464 Oc1cc(O)c(C=O)c(O)c1 TN1206 [0,2,0,0,0,0|2,0,0]=4 81 B11R1.81 CCCc1ccc(C)cc1O T33238 [0,2,0,0,0,0|2,0,0]=4 82 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,2,0,0,0,0|1,0,0]=3 83 B11R1.166 CC(=O)c1ccc(O)cc1O T3751 [0,2,0,0,0,0|2,0,0]=4 84 B11R1.166 CC(C)c1ccc(C)cc1O T3S0717 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.166 Cc1ccc(C(O)=O)c(O)c1 T22225 [0,2,0,0,0,0|1,0,0]=3 86 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T0441 [0,2,0,0,0,0|2,0,0]=4 87 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T1296 [0,2,0,0,0,0|2,0,0]=4 88 B11R1.166 Nc1ccc(C([O-])=O)c(O)c1 T0020 [0,2,0,0,0,0|2,0,0]=4 89 B11R1.166 OC(=O)c1ccc(Cl)cc1O T0666 [0,2,0,0,0,0|2,0,0]=4 90 B11R1.166 OC(=O)c1ccc(O)cc1O T5890 [0,2,0,0,0,0|2,0,0]=4 91 B11R1.278 Cc1ncc(CO)c(C)c1O T38294 [0,2,0,0,0,0|1,0,1]=4 92 B11R1.279 CCc1ccc(OC)c(O)c1 T32841 [0,2,0,0,0,0|1,0,1]=4 93 B11R1.279 COc1ccc(C=O)c(O)c1 T2A2524 [0,2,0,0,0,0|1,0,0]=3 94 B11R1.279 COc1ccc(CO)cc1O TN6810 [0,2,0,0,0,0|1,0,1]=4 95 B11R1.280 CCc1ccc(O)c(OC)c1 TN6935 [0,2,0,0,0,0|1,0,1]=4 96 B11R1.280 COc1cc(CN)ccc1O T1356 [0,2,0,0,0,0|1,0,1]=4 97 B11R1.280 COc1cc(CO)ccc1O T2860 [0,2,0,0,0,0|1,0,1]=4 98 B11R1.21 CC(=O)c1ccc(O)c(O)c1 T3734 [0,2,0,0,0,0|1,0,1]=4 99 B11R1.21 CC(C)C1=CC(=C(C=C1)O)O T9065 [0,2,0,0,0,0|1,0,1]=4 100 B11R1.21 CC(C)c1ccc(C)c(O)c1 T4S1990 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.192 C1=CC(=C(C=C1CCN)O)O T9077 [0,2,0,0,0,0|1,0,1]=4 102 B11R1.192 NCCc1ccc(O)c(O)c1 T1644 [0,2,0,0,0,0|1,0,1]=4 103 B11R1.192 NOCc1ccc(Br)c(O)c1 T23822 [0,2,0,0,0,0|2,0,0]=4 104 B11R1.192 OCCc1ccc(O)c(O)c1 T3412 [0,2,0,0,0,0|1,0,1]=4 105 B11R1.192 Oc1ccc(CC=C)cc1O TN1274 [0,2,0,0,0,0|1,0,1]=4 106 B9R1.5 Oc1cccccc1=O T8087 [0,0,1,1,0,0|1,0,1]=4 107 B7R1.2 C=C1OC(=O)C=C1 TN2420 [1,0,0,0,1,0|1,0,1]=4 108 B7R1.2 CC1=CCC(=O)O1 T7995 [1,0,0,0,1,0|1,0,1]=4 109 B7R1.2 O=C1NC(=O)C=C1 T4820 [1,0,0,0,1,0|1,0,0]=3 110 B7R1.15 [O-]c1cc(=O)c1=O T13777 [0,0,0,0,2,0|1,0,1]=4