0 B9R1.69 Cc1c[nH]c(=O)[nH]c1=O TWO2759 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.69 Cc1c[nH]c(=O)nc1N T5270 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.69 Cc1cc(O)ccc1N T21284 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.69 Cc1cc(ccc1O)O TN4871 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.69 Cc1ccc(N)c(C)c1 T21114 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.69 Cc1ccc(O)c(N)c1 T9441 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.69 Cc1cnc(O)c(C)n1 T31572 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.69 Cn1ccc(N)nc1=O T10019 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.69 Nc1ccc(F)cc1O T1370 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.69 OC1=CC=C(Cl)C=C1O T39598 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.69 Oc1cc(=O)[nH]cc1Cl T0987 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.3 Cc1cnc(C)cn1 T4801 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.3 Clc1ccc(Cl)cc1 T7431 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.3 Nc1ccc(Cl)nc1 T7234 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.4 Cc1cccc(O)c1 T33229 [1,0,0,0,0,0|0,0,0]=1 17 B8R1.4 Cc1cccc([O-])c1 T33983 [1,0,0,0,0,0|0,0,1]=2 18 B8R1.4 Fc1cccc(Br)c1 T30352 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.4 Fc1cccc(I)c1 T21183 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.4 Fc1cccc(S)c1 T21187 [1,0,0,0,0,0|1,1,0]=3 21 B8R1.4 Ic1cccc(I)c1 T21145 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.4 Nc1ccnc(O)n1 T4832 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.4 Oc1cccc(I)c1 T21200 [1,0,0,0,0,0|1,0,0]=2 24 B8R1.4 Oc1cccc(O)n1 T4720 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.4 Oc1ccnc(O)c1 T7963 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.5 Cc1ncccc1O T5901 [1,0,0,0,0,0|1,0,0]=2 27 B8R1.5 Nc1ccccc1I T20285 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.5 Nc1ccncc1N T4497 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.5 Nc1ccncc1N T4497L [1,0,0,0,0,0|3,0,0]=4 30 B8R1.5 Nc1ncccc1O T7923 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.5 Oc1coccc1=O TL0015 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.5 On1ccccc1=S T12593 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.5 [O-]n1ccccc1=S T26004 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.22 CC1=CC(=O)C=C(C)C1=O T4406 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.22 Cc1cc(O)cc(C)c1Cl T0898 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.22 Oc1c(I)cc(I)cc1I T8628 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.25 CCc1ccc(C)cc1O T29345 [0,1,0,0,0,0|0,0,0]=1 38 B10R1.25 CSc1ccc(C)cc1O T33232 [0,1,0,0,0,0|0,0,0]=1 39 B10R1.25 Cc1ccc(C=O)c(O)c1 T36786 [0,1,0,0,0,0|0,0,1]=2 40 B10R1.25 Oc1ccc(C=O)c(O)c1 TN7051 [0,1,0,0,0,0|1,0,1]=3 41 B10R1.30 CCc1nc(C)ccc1O T7875 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.30 CCc1nc(C)ccc1O T8624 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.30 COc1cc(C)ccc1O T20446 [0,1,0,0,0,0|1,0,0]=2 44 B10R1.30 COc1cc(N)ccc1O T21072 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.30 Cn1ccc(=O)c(c1)C#N TN4488 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.118 Cc1cc(O)c(Cl)cc1Cl T29426 [0,1,0,0,0,0|1,0,0]=2 47 B10R1.118 Cc1nc(C)c(C)nc1C T2722 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.118 Cc1nc(C)c(C)nc1C T2953 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.118 Nc1cc(N)c(N)cc1N T7119 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.118 Oc1cc(Cl)c(Cl)cc1Cl T34935 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.118 Oc1cc(Cl)c(Cl)cc1O T40421 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.119 Cc1c(Cl)ccc(O)c1Cl T33980 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.119 Cc1c(O)c(=O)ccn1C T1565 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.176 NCc1ccc(O)c(O)c1 T10104 [0,1,0,0,0,0|1,0,0]=2 55 B10R1.176 OCc1cc(=O)c(O)co1 T5889 [0,1,0,0,0,0|2,0,1]=4 56 B10R1.176 Oc1ccc(C=O)cc1O T3018 [0,1,0,0,0,0|1,0,1]=3 57 B8R1.18 CC1=CC(=O)OC1=O TN6957 [0,0,0,0,1,0|2,0,1]=4 58 B8R1.18 CC1OC(C)=CC1=O T22309 [0,0,0,0,1,0|1,0,2]=4 59 B7R0.5 CC/C=C(\C)C(O)=O T8052 [1,0,1,0,0,0|1,0,1]=4 60 B7R0.4 C/C=C/C=C/C(O)=O T8019 [1,0,1,0,0,0|1,0,0]=3 61 B7R0.4 C/C=C/C=C/C([O-])=O T4807 [1,0,1,0,0,0|1,0,1]=4 62 B7R1.3 Cc1ccccn1 T21323 [2,0,0,0,0,0|1,0,0]=3 63 B7R1.3 O=c1cccc[nH]1 T4805 [2,0,0,0,0,0|1,0,1]=4 64 B9R1.1 CCc1ccc(O)cc1 T5883 [1,1,0,0,0,0|1,0,0]=3 65 B9R1.1 COc1ccc(F)cc1 T0528 [1,1,0,0,0,0|1,0,0]=3 66 B9R1.1 COc1ccc(O)cc1 T0501 [1,1,0,0,0,0|1,0,0]=3 67 B9R1.1 NCc1ccc(O)cc1 T21095 [1,1,0,0,0,0|1,0,0]=3 68 B9R1.1 NNc1ccc(Cl)cc1 T3167 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.1 OCc1ccc(O)cc1 T3752 [1,1,0,0,0,0|1,0,0]=3 70 B9R1.1 OCc1ccc(cn1)O T40502 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.1 Oc1ccc(C=C)cc1 T13509 [1,1,0,0,0,0|1,0,1]=4 72 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [1,1,0,0,0,0|1,0,1]=4 73 B9R1.2 CCc1cccc(N)c1 T21169 [1,1,0,0,0,0|1,0,0]=3 74 B9R1.2 CCc1cccc(O)c1 T21170 [1,1,0,0,0,0|0,0,0]=2 75 B9R1.2 CNc1cccc(C)c1 T0557 [1,1,0,0,0,0|1,0,0]=3 76 B9R1.2 COc1cccc(Br)c1 T21218 [1,1,0,0,0,0|1,0,0]=3 77 B9R1.2 COc1cccc(C)c1 T21278 [1,1,0,0,0,0|0,0,0]=2 78 B9R1.2 COc1cccc(O)c1 T20294 [1,1,0,0,0,0|0,0,0]=2 79 B9R1.2 Cc1cccc(c1)[I]=O T32169 [1,1,0,0,0,0|0,0,1]=3 80 B9R1.2 ClCc1cccc(Cl)c1 T21091 [1,1,0,0,0,0|1,0,0]=3 81 B9R1.2 Fc1cccc(C=O)c1 T21180 [1,1,0,0,0,0|1,0,1]=4 82 B9R1.2 Fc1cccc(CCl)c1 T21179 [1,1,0,0,0,0|1,0,0]=3 83 B9R1.2 NCc1ccnc(Cl)c1 T7185 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.2 OCc1ccc[n+]([O-])c1 T0257 [1,1,0,0,0,0|1,0,1]=4 85 B9R1.2 OCc1cccc(I)c1 T21214 [1,1,0,0,0,0|1,0,0]=3 86 B9R1.2 OCc1cccc(O)c1 T4760 [1,1,0,0,0,0|0,0,0]=2 87 B9R1.2 Oc1cccc(C=O)c1 T4778 [1,1,0,0,0,0|0,0,1]=3 88 B9R1.3 Cc1cccc(O)c1O T3742 [1,1,0,0,0,0|0,0,0]=2 89 B9R1.3 Cc1occc(=O)c1O T5545 [1,1,0,0,0,0|1,0,1]=4 90 B9R1.3 Cc1occc(=O)c1[O-] T27398 [1,1,0,0,0,0|1,0,1]=4 91 B9R1.3 Oc1cccc(O)c1O T3749 [1,1,0,0,0,0|1,0,0]=3 92 B9R1.34 Cc1cc(O)cc(O)c1 T3748 [1,1,0,0,0,0|0,0,0]=2 93 B9R1.15 COc1ccccc1O T1301 [1,1,0,0,0,0|0,0,0]=2 94 B9R1.15 NCc1ccccc1O T41358 [1,1,0,0,0,0|0,0,0]=2 95 B9R1.15 OCc1ccccc1O T0311 [1,1,0,0,0,0|0,0,0]=2 96 B9R1.22 Cc1cc(C)c(C=O)[nH]1 T21347 [0,1,0,0,1,0|1,0,1]=4 97 B9R1.37 CC1OC(C)=C(O)C1=O T5547 [0,1,0,0,1,0|1,0,1]=4 98 B11R1.14 CCc1cc(O)c(C)c(=O)o1 TN4497 [0,2,0,0,0,0|1,0,0]=3 99 B11R1.14 Oc1cc(C=O)cc(O)c1O T7972 [0,2,0,0,0,0|1,0,1]=4 100 B11R1.32 Cc1c(Br)cc(Br)c(O)c1Br T21286 [0,2,0,0,0,0|1,0,0]=3 101 B11R1.32 Cc1cc(O)c(Cl)c(C)c1Cl T20925 [0,2,0,0,0,0|1,0,0]=3 102 B11R1.464 COc1c(O)cc(O)cc1O T19380 [0,2,0,0,0,0|1,0,0]=3 103 B11R1.464 Oc1cc(O)c(C=O)c(O)c1 TN1206 [0,2,0,0,0,0|1,0,1]=4 104 B11R1.37 COc1ccc(O)cc1OC T3745 [0,2,0,0,0,0|1,0,0]=3 105 B11R1.81 CCCc1ccc(C)cc1O T33238 [0,2,0,0,0,0|0,0,0]=2 106 B11R1.81 Cc1ccc(c(c1)C)N=C=S T35213 [0,2,0,0,0,0|1,0,1]=4 107 B11R1.81 Clc1ccc(CC#N)c(Cl)c1 T20375 [0,2,0,0,0,0|2,0,0]=4 108 B11R1.81 Oc1ccc(CC#N)c(O)c1 TN2721 [0,2,0,0,0,0|1,0,0]=3 109 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,2,0,0,0,0|0,0,0]=2 110 B11R1.166 CC(=O)c1ccc(O)cc1O T3751 [0,2,0,0,0,0|1,0,0]=3 111 B11R1.166 CC(C)c1ccc(C)cc1O T3S0717 [0,2,0,0,0,0|0,0,0]=2 112 B11R1.166 Cc1ccc(C(O)=O)c(O)c1 T22225 [0,2,0,0,0,0|0,0,1]=3 113 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T0441 [0,2,0,0,0,0|1,0,1]=4 114 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T1296 [0,2,0,0,0,0|1,0,1]=4 115 B11R1.166 Nc1ccc(C([O-])=O)c(O)c1 T0020 [0,2,0,0,0,0|1,0,1]=4 116 B11R1.166 OC(=O)c1ccc(Cl)cc1O T0666 [0,2,0,0,0,0|1,0,1]=4 117 B11R1.166 OC(=O)c1ccc(O)cc1O T5890 [0,2,0,0,0,0|1,0,1]=4 118 B11R1.278 Cc1ncc(CO)c(C)c1O T38294 [0,2,0,0,0,0|1,0,0]=3 119 B11R1.279 CCc1ccc(OC)c(O)c1 T32841 [0,2,0,0,0,0|0,0,0]=2 120 B11R1.279 COc1ccc(C=O)c(O)c1 T2A2524 [0,2,0,0,0,0|0,0,1]=3 121 B11R1.279 COc1ccc(C=O)cc1O T3740 [0,2,0,0,0,0|0,0,1]=3 122 B11R1.279 COc1ccc(CO)cc1O TN6810 [0,2,0,0,0,0|0,0,0]=2 123 B11R1.167 Nc1ccc(Cl)cc1C(O)=O T0567 [0,2,0,0,0,0|2,0,0]=4 124 B11R1.167 Nc1ccc(O)c(c1)C(O)=O T0646 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.167 OC(=O)c1cc(O)ccc1O T2857 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.182 Cc1ccc(O)c(CC=C)c1 T29333 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.280 CCc1ccc(O)c(OC)c1 TN6935 [0,2,0,0,0,0|1,0,0]=3 128 B11R1.280 COc1cc(C=C)ccc1O T8197 [0,2,0,0,0,0|1,0,1]=4 129 B11R1.280 COc1cc(C=O)ccc1O T6717 [0,2,0,0,0,0|1,0,1]=4 130 B11R1.280 COc1cc(CN)ccc1O T1356 [0,2,0,0,0,0|1,0,0]=3 131 B11R1.280 COc1cc(CO)ccc1O T2860 [0,2,0,0,0,0|1,0,0]=3 132 B11R1.21 CC(=O)c1ccc(O)c(O)c1 T3734 [0,2,0,0,0,0|1,0,0]=3 133 B11R1.21 CC(C)C1=CC(=C(C=C1)O)O T9065 [0,2,0,0,0,0|1,0,0]=3 134 B11R1.21 CC(C)c1ccc(C)c(O)c1 T4S1990 [0,2,0,0,0,0|0,0,0]=2 135 B11R1.21 Cc1ccc(cc1C)C(O)=O T19115 [0,2,0,0,0,0|1,0,1]=4 136 B11R1.21 OC(=O)c1ccc(Br)c(O)c1 T7454 [0,2,0,0,0,0|1,0,1]=4 137 B11R1.21 OC(=O)c1ccc(O)c(O)c1 T0562 [0,2,0,0,0,0|1,0,1]=4 138 B11R1.192 C1=CC(=C(C=C1CCN)O)O T9077 [0,2,0,0,0,0|1,0,0]=3 139 B11R1.192 NCCc1ccc(O)c(O)c1 T1644 [0,2,0,0,0,0|1,0,0]=3 140 B11R1.192 NOCc1ccc(Br)c(O)c1 T23822 [0,2,0,0,0,0|1,0,0]=3 141 B11R1.192 OCCc1ccc(O)c(O)c1 T3412 [0,2,0,0,0,0|1,0,0]=3 142 B11R1.192 Oc1ccc(CC=C)cc1O TN1274 [0,2,0,0,0,0|1,0,0]=3 143 B9R1.5 Oc1cccccc1=O T8087 [0,0,1,1,0,0|1,0,1]=4 144 B11R2.36 Oc1ccc2OCOc2c1 T3676 [0,1,0,1,0,0|1,0,0]=3 145 B9R0.1 C/C(C)=C/CC=C(C)C=C TN6815 [0,0,1,0,0,1|1,0,1]=4 146 B9R0.1 C\C(C)=C/C=C/C(C)=C/C T20298 [0,0,1,0,0,1|1,0,1]=4