0 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.166 CC(=O)c1ccc(O)cc1O T3751 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.166 CC(C)C1CCC(C)=CC1=O T8256 [0,0,0,0,0,0|0,0,4]=4 3 B11R1.166 CC(C)c1ccc(C)cc1O T3S0717 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.166 Cc1ccc(C(O)=O)c(O)c1 T22225 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T0441 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T1296 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.166 Nc1ccc(C([O-])=O)c(O)c1 T0020 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.166 OC(=O)c1ccc(Cl)cc1O T0666 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.166 OC(=O)c1ccc(O)cc1O T5890 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [1,0,0,0,0,0|1,0,1]=3 11 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.13 CC(C)C1=CC=C(C)CC1 T7909 [1,0,0,0,0,0|0,0,2]=3 13 B10R1.13 CC(C)C1=CCC(C)=CC1 TN2031 [1,0,0,0,0,0|0,0,2]=3 14 B10R1.13 CC(C)C1CC=C(C)C=C1 TN6990 [1,0,0,0,0,0|0,0,2]=3 15 B10R1.13 CC(C)[C@H]1CC=C(C)C=C1 T8289 [1,0,0,0,0,0|0,0,2]=3 16 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.25 CCc1ccc(C)cc1O T29345 [1,0,0,0,0,0|0,0,0]=1 19 B10R1.25 CSc1ccc(C)cc1O T33232 [1,0,0,0,0,0|1,0,0]=2 20 B10R1.25 Cc1ccc(C=O)c(O)c1 T36786 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.25 Oc1ccc(C=O)c(O)c1 TN7051 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.61 CC(=O)c1ccccc1C T36788 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.61 CC(=O)c1ccccc1Cl T20449 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.61 CC(=O)c1ccccc1O TCS1856 [1,0,0,0,0,0|1,0,1]=3 25 B10R1.61 NC(=O)c1ccccc1O T0004 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.61 OC(=O)c1ccccc1O T0649 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.61 OC(=O)c1ccccc1O T27597 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.61 Oc1ccccc1C(S)=S T31535 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.61 Oc1ccccc1C([O-])=O T0335 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.61 Oc1ccccc1C([O-])=O T20668 [1,0,0,0,0,0|2,0,1]=4 31 B12R1.57 COc1cc(C)ccc1C(C)C TN6884 [0,1,0,0,0,0|0,0,0]=1 32 B12R1.126 Cc1cc(O)ccc1C(C)(C)C T34182 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.126 Cc1ccc(c(O)c1)C(C)(C)O TN5868 [0,1,0,0,0,0|0,0,0]=1 34 B12R1.232 CC(C)C1=CC(=O)C(C)=CC1=O T4088 [0,1,0,0,0,0|0,0,1]=2 35 B12R1.232 CC(C)[C@@H]1CC(=O)C(C)=C[C@@H]1O TN5861 [0,1,0,0,0,0|0,0,3]=4 36 B12R1.232 CC(C)c1cc(Cl)c(C)cc1O T20242 [0,1,0,0,0,0|0,0,0]=1 37 B12R1.232 Cc1cc(O)c(cc1Cl)[N+]([O-])=O T21288 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.452 COc1ccc(C(C)=O)c(O)c1 T2900 [0,1,0,0,0,0|1,0,1]=3 39 B12R1.452 COc1ccc(C(O)=O)c(O)c1 T2A2428 [0,1,0,0,0,0|2,0,1]=4 40 B12R1.1000 CC(=O)c1c(O)cc(O)cc1O T2840 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.1703 COC(=O)c1ccc(O)cc1O TN6707 [0,1,0,0,0,0|2,0,1]=4 42 B9R0.1 C/C(C)=C/CC=C(C)C=C TN6815 [1,0,1,0,0,0|0,0,2]=4 43 B9R0.1 C\C(C)=C/C=C/C(C)=C/C T20298 [1,0,1,0,0,0|0,0,2]=4 44 B9R1.1 CCc1ccc(O)cc1 T5883 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.1 COc1ccc(F)cc1 T0528 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.1 COc1ccc(O)cc1 T0501 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.1 NCc1ccc(O)cc1 T21095 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.1 OCc1ccc(O)cc1 T3752 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.6 CC(=O)c1ccccc1 T7446 [2,0,0,0,0,0|1,0,1]=4 50 B9R1.6 C[C@H](O)c1ccccc1 T4784 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.15 COc1ccccc1O T1301 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.15 NCc1ccccc1O T41358 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.15 OCc1ccccc1O T0311 [2,0,0,0,0,0|1,0,0]=3 54 B9R1.69 Cc1ccc(N)c(C)c1 T21114 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.69 Cc1ccc(O)c(N)c1 T9441 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [2,0,0,0,0,0|1,0,0]=3 58 B9R1.69 Nc1ccc(F)cc1O T1370 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.69 OC1=CC=C(Cl)C=C1O T39598 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.3 CC(C)c1ccc(C=O)cc1 T7441 [1,1,0,0,0,0|0,0,1]=3 61 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [1,1,0,0,0,0|0,0,0]=2 62 B11R1.21 CC(C)C1=CC(=C(C=C1)O)O T9065 [1,1,0,0,0,0|1,0,0]=3 63 B11R1.21 CC(C)c1ccc(C)c(O)c1 T4S1990 [1,1,0,0,0,0|0,0,0]=2 64 B11R1.22 CCC(C)c1ccc(O)cc1 T12515 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.37 COc1ccc(O)cc1OC T3745 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.81 CCCc1ccc(C)cc1O T33238 [1,1,0,0,0,0|0,0,0]=2 68 B11R1.81 Oc1ccc(CC#N)c(O)c1 TN2721 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.279 CCc1ccc(OC)c(O)c1 T32841 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.279 COc1ccc(C=O)c(O)c1 T2A2524 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.279 COc1ccc(C=O)cc1O T3740 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.279 COc1ccc(CO)cc1O TN6810 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.464 COc1c(O)cc(O)cc1O T19380 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.159 C[C@@H](N)c1cccc(Cl)c1Cl T22956 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.167 CC(=O)c1cc(O)ccc1O TCS2170 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.222 CCC(=O)c1ccccc1O T20371 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.222 COC(=O)c1ccccc1O T0399 [1,1,0,0,0,0|1,0,1]=4 78 B13R1.3800 O=C1C(O)=CC(C(C)C)=CC=C1O T28859 [0,1,0,0,0,1|1,0,0]=3 79 B13R1.877 Cc1cc(O)c(cc1Cl)C(C)(C)C T29478 [0,2,0,0,0,0|0,0,0]=2 80 B13R1.651 CC(C)C1=C/C(=N\O)C(C)=CC1=O T16559 [0,2,0,0,0,0|0,0,1]=3 81 B13R1.428 COc1cc(O)c(C(C)=O)c(O)c1 TN2736 [0,2,0,0,0,0|1,0,1]=4 82 B13R1.3096 COc1ccc(C(C)=O)c(O)c1O TN2703 [0,2,0,0,0,0|1,0,1]=4 83 B13R1.1511 CCCC(C)c1ccc(C)cc1O T29414 [0,2,0,0,0,0|0,0,0]=2 84 B11R1.424 CC1=C(C=O)C(C)(C)CC=C1 TN2423 [0,0,1,1,0,0|0,0,2]=4 85 B11R1.565 CC(C)c1cccc(=O)cc1 T19475 [0,0,1,1,0,0|2,0,0]=4 86 B11R2.36 Oc1ccc2OCOc2c1 T3676 [1,0,0,1,0,0|2,0,0]=4 87 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [1,0,0,0,0,1|1,0,1]=4