0 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.20 NC(=O)Nc1ccc(Cl)cc1 T20454 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.20 NC(Nc1ccc(cc1)Cl)=N T21703 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.20 OC(=O)Cc1ccc(O)cc1 T3743 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.18 C1=NC=CC=C1CC(O)=O T19128 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,0,0|0,0,0]=1 8 B10R1.18 CC(=S)Nc1ccccc1 T20263 [1,0,0,0,0,0|1,1,0]=3 9 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.18 OC(=O)Cc1cccnc1 T1366 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.4 COc1ccc(CC(O)=O)cc1 T5590 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.4 CSc1ccc(CC(N)=O)nc1 T29373 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.19 CC(=O)Nc1ccc(O)c(C)c1 T29415 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.19 CC(=O)Nc1ccc(O)c(O)c1 T19175 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.19 CC(=O)Oc1ccc(C)c(C)c1 T29381 [0,1,0,0,0,0|0,0,0]=1 17 B12R1.19 CC(N)Cc1ccc(C)c(C)c1 T24217 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.19 CC(N)Cc1ccc(C)c(O)c1 T27523 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.19 OC(=O)Cc1ccc(O)c(Cl)c1 T21277 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.19 OC(=O)Cc1ccc(O)c(O)c1 T4907 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.20 N[C@H](C(O)=O)c1ccc(F)cc1 T21102 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.20 N[C@H](C(O)=O)c1ccc(O)cc1 T4785 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.20 OC(C(O)=O)c1ccc(O)cc1 T5263 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.49 CCC(=O)Nc1ccc(O)cc1 T19140 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.106 CC1=CC=C(OS(=O)(O)=O)C=C1 T21977 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.106 Cc1ccc(OS([O-])(=O)=O)cc1 T19498 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.233 OC(=O)Cc1ccc(O)cc1O TMA1130 [0,1,0,0,0,0|3,0,0]=4 29 B12R2.606 Clc1ccc2oc(=O)[nH]c2c1 T1650 [0,0,0,1,0,0|2,0,0]=3 30 B12R2.606 Clc1ccc2sc(=O)[nH]c2c1 T0577 [0,0,0,1,0,0|2,1,0]=4 31 B12R2.606 Nc1nc2cc(Cl)ccc2o1 T0922 [0,0,0,1,0,0|3,0,0]=4 32 B12R2.606 Oc1ccc2NC(=O)Cc2c1 T37710 [0,0,0,1,0,0|2,0,0]=3 33 B12R2.606 Oc1ccc2sc(=O)oc2c1 T0515 [0,0,0,1,0,0|2,1,0]=4 34 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [0,0,0,0,1,0|0,0,0]=1 35 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [0,0,0,0,1,0|1,0,0]=2 36 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [0,0,0,0,1,0|2,0,1]=4 37 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [0,0,0,0,1,0|1,0,0]=2 38 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [0,0,0,0,1,0|3,0,0]=4 39 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [0,0,0,0,1,0|2,0,0]=3 40 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [0,0,0,0,1,0|2,0,0]=3 41 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [0,0,0,0,1,0|3,0,0]=4 42 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 T4816 [0,0,0,0,1,0|3,0,0]=4 43 B10R1.13 OC(=O)c1ccc(=O)oc1 T7962 [0,0,0,0,1,0|3,0,0]=4 44 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [0,0,0,0,1,0|2,0,0]=3 45 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,0,0,0,0,1|2,0,0]=3 46 B12R1.21 CC(=O)NCc1ccc(Cl)nc1 T37196 [0,0,0,0,0,1|3,0,0]=4 47 B12R1.21 CC(=O)OCc1ccc(C)cc1 T20468 [0,0,0,0,0,1|0,0,0]=1 48 B12R1.21 CC(=O)OCc1ccc(Cl)cc1 T33897 [0,0,0,0,0,1|1,0,0]=2 49 B12R1.21 CC1=CC=C(C=C1)\C=C\C(=O)O PDK0101 [0,0,0,0,0,1|2,0,0]=3 50 B12R1.21 NC(=O)/C=C/c1ccc(O)cc1 TN3042 [0,0,0,0,0,1|3,0,0]=4 51 B12R1.21 O=C(O)C=CC1=CC=C(O)C=C1 T7053 [0,0,0,0,0,1|3,0,0]=4 52 B12R1.21 OC(=O)/C=C/c1ccc(O)cc1 T2863 [0,0,0,0,0,1|3,0,0]=4 53 B12R1.21 OC(=O)/C=C\c1ccc(O)cc1 TN6840 [0,0,0,0,0,1|3,0,0]=4 54 B12R1.21 OC(=O)C=Cc1ccc(Cl)cc1 TN6604 [0,0,0,0,0,1|3,0,0]=4 55 B12R1.21 OC(=O)CCc1ccc(O)cc1 T2862 [0,0,0,0,0,1|3,0,0]=4 56 B12R1.21 OC(=O)COc1ccc(Cl)cc1 T30866 [0,0,0,0,0,1|2,0,0]=3 57 B9R1.1 CCc1ccc(O)cc1 T5883 [2,0,0,0,0,0|1,0,1]=4 58 B9R1.1 COc1ccc(F)cc1 T0528 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.1 COc1ccc(O)cc1 T0501 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.1 Oc1ccc(C=C)cc1 T13509 [2,0,0,0,0,0|1,0,1]=4 61 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.8 CCOc1ccccc1 T19753 [2,0,0,0,0,0|0,0,1]=3 63 B9R1.8 CNCc1ccccc1 T8016 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.8 O=CCc1ccccc1 TCS1857 [2,0,0,0,0,0|1,0,0]=3 65 B11R1.1 CCOCc1ccc(O)cc1 TN3029 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.1 OCC=Cc1ccc(O)cc1 TN2028 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.22 Oc1ccc(cc1)C(=O)C=O T32102 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.81 CCCc1ccc(C)cc1O T33238 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.83 COc1ccc(C=CC)cc1 T0014 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.83 COc1ccc(CC=C)cc1 T5649 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.83 COc1ccc(cc1)/C=C/C T0762 [1,1,0,0,0,0|1,0,0]=3 72 B11R1.36 CC(=O)C(=O)c1ccccc1 T7450 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.36 NC(C(O)=O)c1ccccc1 T13485 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.36 OC(=O)C(=C)c1ccccc1 T0629 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.36 OC(=O)C(=O)c1ccccc1 T8025 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.36 OC(=O)C(S)c1ccccc1 T26271 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.36 OC(C(O)=O)c1ccccc1 T33320 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.36 OC(C(O)=O)c1ccccc1 T4848 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.36 OC(C([O-])=O)c1ccccc1 T30005 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.36 O[C@@H](C(O)=O)c1ccccc1 T2S0122 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.40 C/C(C=O)=C/c1ccccc1 T29898 [1,1,0,0,0,0|1,0,0]=3 82 B11R1.40 C=CC(Nc1ccccc1)=O T9322 [1,1,0,0,0,0|1,0,1]=4 83 B11R1.86 OC(=O)Cc1ccccc1O T5308 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.157 CC(=O)Nc1cccc(C)c1 T21117 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.157 CC(=O)Nc1cccc(O)c1 T0914 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.157 CC(=O)Oc1cccc(O)c1 T0339 [1,1,0,0,0,0|0,0,0]=2 87 B11R1.157 Cc1cccc(CC(O)=O)c1 T19409 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.157 NC(=O)Nc1cccc(O)c1 T21201 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.157 OC(=O)Cc1cccc(O)c1 T4829 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [0,1,0,0,1,0|1,0,1]=4 91 B11R1.3 COc1ccc(cc1)C(O)=O TCS0862 [0,1,0,0,1,0|1,0,0]=3 92 B11R1.3 COc1ccc(cn1)C(N)=O T8106 [0,1,0,0,1,0|2,0,0]=4 93 B11R1.3 NCc1ccc(cc1)C(O)=O T1252 [0,1,0,0,1,0|1,0,0]=3 94 B11R1.3 OC(=O)c1ccc(C=O)cc1 T1691 [0,1,0,0,1,0|1,0,1]=4 95 B11R1.19 Cc1ccc(cc1)S(O)(=O)=O T19499 [0,1,0,0,1,0|2,0,0]=4 96 B11R1.21 CC(=O)c1ccc(O)c(O)c1 T3734 [0,1,0,0,1,0|1,0,0]=3 97 B11R1.21 CC(C)c1ccc(C)c(O)c1 T4S1990 [0,1,0,0,1,0|1,0,1]=4 98 B11R1.21 Cc1cc(ccc1O)C(O)=O T5298 [0,1,0,0,1,0|2,0,0]=4 99 B11R1.21 Cc1ccc(cc1C)C(O)=O T19115 [0,1,0,0,1,0|1,0,0]=3 100 B11R1.21 Nc1cc(ccc1O)C(O)=O T4770 [0,1,0,0,1,0|2,0,0]=4 101 B11R1.21 OC(=O)c1ccc(Br)c(O)c1 T7454 [0,1,0,0,1,0|2,0,0]=4 102 B11R1.21 OC(=O)c1ccc(O)c(O)c1 T0562 [0,1,0,0,1,0|2,0,0]=4 103 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,1,0,0,1,0|0,0,0]=2 104 B11R1.166 CC(=O)c1ccc(O)cc1O T3751 [0,1,0,0,1,0|1,0,0]=3 105 B11R1.166 CC(C)c1ccc(C)cc1O T3S0717 [0,1,0,0,1,0|1,0,1]=4 106 B11R1.166 Cc1ccc(C(O)=O)c(O)c1 T22225 [0,1,0,0,1,0|1,0,0]=3 107 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T0441 [0,1,0,0,1,0|2,0,0]=4 108 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T1296 [0,1,0,0,1,0|2,0,0]=4 109 B11R1.166 Nc1ccc(C([O-])=O)c(O)c1 T0020 [0,1,0,0,1,0|2,0,0]=4 110 B11R1.166 OC(=O)c1ccc(Cl)cc1O T0666 [0,1,0,0,1,0|2,0,0]=4 111 B11R1.166 OC(=O)c1ccc(O)cc1O T5890 [0,1,0,0,1,0|2,0,0]=4 112 B13R1.3 COc1ccc(/C=C/C(C)=O)cc1 T34091 [0,1,0,0,0,1|1,0,0]=3 113 B13R1.3 COc1ccc(/C=C/C(O)=O)cc1 T5875 [0,1,0,0,0,1|2,0,0]=4 114 B13R1.3 COc1ccc(CCC(C)=O)cc1 Fr12339 [0,1,0,0,0,1|1,0,0]=3 115 B13R1.14 COC(=O)/C=C/c1ccc(O)cc1 T3733 [0,1,0,0,0,1|2,0,0]=4 116 B13R1.14 COC(C=Cc1ccc(O)cc1)=O T2819 [0,1,0,0,0,1|2,0,0]=4 117 B13R1.164 Cc1cc(Cl)ccc1OCC(O)=O T20701 [0,1,0,0,0,1|2,0,0]=4 118 B13R1.164 Cc1cc(Cl)ccc1OCC([O-])=O T33228 [0,1,0,0,0,1|2,0,0]=4 119 B13R1.164 OC(=O)COc1ccc(Cl)cc1Cl T20945 [0,1,0,0,0,1|2,0,0]=4 120 B13R1.164 [O-]C(=O)COc1ccc(Cl)cc1Cl T29779 [0,1,0,0,0,1|2,0,0]=4 121 B13R1.511 CC(=O)/C=C/c1ccc(O)c(O)c1 T5728 [0,1,0,0,0,1|2,0,0]=4 122 B13R1.511 CC(=O)CCc1ccc(O)c(O)c1 TN3002 [0,1,0,0,0,1|2,0,0]=4 123 B13R1.5 COc1ccc(NC(=O)C=C)cc1 T50041 [0,2,0,0,0,0|1,0,1]=4 124 B13R1.35 COc1ccc(CC(O)=O)cc1O T0542 [0,2,0,0,0,0|2,0,0]=4 125 B13R1.142 CCOC1=CC=C(NC(C)=O)C=C1 T0778 [0,2,0,0,0,0|1,0,0]=3 126 B13R1.585 CC(=O)Nc1ccc(cc1)C(O)=O T0315 [0,2,0,0,0,0|1,0,1]=4 127 B13R1.585 CC(=O)Oc1ccc(cc1)C(C)=O T20353 [0,2,0,0,0,0|0,0,0]=2 128 B13R1.585 CC(=O)Oc1ccc(cc1)C(O)=O T20457 [0,2,0,0,0,0|0,0,1]=3 129 B13R1.585 CC(C)c1ccc(OC(C)=O)cc1 T33898 [0,2,0,0,0,0|0,0,0]=2 130 B13R1.2879 CCC(=O)Nc1ccc(Cl)c(Cl)c1 T16582 [0,2,0,0,0,0|2,0,0]=4 131 B13R1.2879 CNC(=O)Oc1ccc(C)c(C)c1 T35214 [0,2,0,0,0,0|0,0,0]=2 132 B13R1.19 CCOC(=O)Cc1ccc(O)cc1 Fr12415 [0,2,0,0,0,0|2,0,0]=4 133 B13R1.2679 Cc1cc(Br)ccc1NC(=O)CCl T4181 [0,2,0,0,0,0|2,0,0]=4 134 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [1,0,0,1,0,0|1,0,0]=3 135 B11R2.10 O=c1[nH]c2ccccc2[nH]1 T0662 [1,0,0,1,0,0|2,0,0]=4 136 B11R2.10 O=c1[nH]c2ccccc2o1 T5572 [1,0,0,1,0,0|1,0,0]=3 137 B13R2.155 Cc1ccc2ccc(=O)oc2c1 T7934 [0,0,0,1,0,1|2,0,0]=4 138 B13R2.2121 COc1ccc2[nH]c(=O)oc2c1 T2S2108 [0,1,0,1,0,0|2,0,0]=4 139 B13R2.3683 Cc1ccc2nc(C)ccc2c1 T37784 [0,1,0,1,0,0|2,0,0]=4 140 B13R2.3683 Cc1ccc2oc(=O)ccc2c1 T5647 [0,1,0,1,0,0|0,0,1]=3 141 B13R2.3683 Oc1ccc2oc(=O)ccc2c1 T2S0357 [0,1,0,1,0,0|1,0,1]=4 142 B9R0.1 C/C(C)=C/CC=C(C)C=C TN6815 [0,0,1,0,1,0|1,0,1]=4 143 B9R0.1 C\C(C)=C/C=C/C(C)=C/C T20298 [0,0,1,0,1,0|1,0,1]=4 144 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,1,0|0,0,0]=2 145 B9R1.6 CC(=O)c1cnccn1 T5596 [1,0,0,0,1,0|2,0,0]=4 146 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,1,0|0,0,2]=4 147 B9R1.6 NC(=N)c1ccccc1 T8362 [1,0,0,0,1,0|2,0,0]=4 148 B9R1.6 NC(=O)c1ccccc1 T6780 [1,0,0,0,1,0|1,0,0]=3 149 B9R1.6 NC(=O)c1ccccn1 T6942 [1,0,0,0,1,0|2,0,0]=4 150 B9R1.6 NC(=O)c1cccnc1 T0934 [1,0,0,0,1,0|2,0,0]=4 151 B9R1.6 NC(=O)c1ccncc1 T0552 [1,0,0,0,1,0|2,0,0]=4 152 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [1,0,0,0,1,0|2,0,0]=4 153 B9R1.6 OC(=O)c1ccccc1 T0833 [1,0,0,0,1,0|1,0,0]=3 154 B9R1.6 OC(=O)c1ccccn1 T4850 [1,0,0,0,1,0|2,0,0]=4 155 B9R1.6 OC(=O)c1cccnc1 T0879 [1,0,0,0,1,0|2,0,0]=4 156 B9R1.6 OC(=O)c1ccncc1 Fr13756 [1,0,0,0,1,0|2,0,0]=4 157 B9R1.6 OP(=O)c1ccccc1 T20416 [1,0,0,0,1,0|2,0,0]=4 158 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [1,0,0,0,1,0|1,0,0]=3 159 B9R1.6 [O-]C(=O)c1ccccn1 T4575 [1,0,0,0,1,0|2,0,0]=4 160 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [0,0,0,0,2,0|1,0,0]=3 161 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [1,0,0,0,0,1|1,0,0]=3 162 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [1,0,0,0,0,1|1,0,0]=3 163 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [1,0,0,0,0,1|1,0,0]=3 164 B11R1.91 CC(=O)COc1ccccc1 T25944 [1,0,0,0,0,1|0,0,0]=2 165 B11R1.91 CC(=O)NCc1ccccc1 T5924 [1,0,0,0,0,1|1,0,0]=3 166 B11R1.91 CC(=O)OCc1ccccc1 T5615 [1,0,0,0,0,1|0,0,0]=2 167 B11R1.91 CC(C)=NNc1ccccc1 T29585 [1,0,0,0,0,1|2,0,0]=4 168 B11R1.91 NC(=O)NCc1ccccc1 T21213 [1,0,0,0,0,1|2,0,0]=4 169 B11R1.91 NC(=O)N[Hg]c1ccccc1 T28402 [1,0,0,0,0,1|2,0,0]=4 170 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T13669 [1,0,0,0,0,1|2,0,0]=4 171 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T20050 [1,0,0,0,0,1|2,0,0]=4 172 B11R1.91 OC(=O)/C=C/c1ccccc1 T2740 [1,0,0,0,0,1|2,0,0]=4 173 B11R1.91 OC(=O)CCc1ccccc1 T3731 [1,0,0,0,0,1|2,0,0]=4 174 B11R1.91 OC(C=Cc1ccccc1)=O T5646 [1,0,0,0,0,1|2,0,0]=4 175 B13R1.513 CC(=O)NCCc1ccc(O)cc1 T37341 [0,0,0,0,0,2|2,0,0]=4