0 B11R1.22 C/C(=N\O)c1ccc(O)cc1 T10143 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.22 CCC(C)c1ccc(O)cc1 T12515 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.22 COC(=O)c1ccc(O)cn1 T40388 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.22 Clc1ccc(cc1)C(=O)CBr T8908 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.22 NNC(=O)c1ccc(N)cc1 T26389 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.22 Oc1ccc(cc1)C(=O)C=O T32102 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.22 Oc1ccc(cc1)C(=O)CBr T7084 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.1 c1cc(ccc1CCN)O T3095 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [1,0,0,0,0,0|0,0,0]=1 16 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [1,0,0,0,0,0|1,0,0]=2 20 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 T4816 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.13 OC(=O)c1ccc(=O)oc1 T7962 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [1,0,0,0,0,0|0,0,0]=1 24 B10R1.13 OC(=O)c1cnc(O)cn1 T10171 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.15 C=CC(=O)c1ccccc1 T20607 [1,0,0,0,0,0|1,0,1]=3 26 B10R1.15 CCC(C1=CC=NC=C1)=O T20581 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.15 CNC(=O)c1ccccc1 T12150 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.15 CNC(=O)c1cccnc1 T5233 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.15 COC(=O)c1cccnc1 T5562 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.15 COC(c1ncccc1)=O T22220 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.15 NNC(=O)c1ccccn1 T1374 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.15 NNC(=O)c1cccnc1 T0664 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.15 NNC(=O)c1ccncc1 T0972 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.15 NNC(=S)c1ccccc1 T10513 [1,0,0,0,0,0|2,1,0]=4 35 B10R1.15 O=CC(=O)c1ccccc1 T38465 [1,0,0,0,0,0|2,0,0]=3 36 B12R1.5 COC(=O)c1ccc(OC)cc1 T20257 [0,1,0,0,0,0|0,0,0]=1 37 B12R1.5 COc1ccc(cc1)C(=O)CBr T7541 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.16 C(c1ccc(cc1)O)(CNC)O T6688 [0,1,0,0,0,0|1,0,2]=4 39 B12R1.16 CCCC(=O)c1ccc(F)cc1 T3679 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.16 CCOC(=O)c1ccc(N)cc1 T0924 [0,1,0,0,0,0|1,0,0]=2 41 B12R1.16 CCOC(=O)c1ccc(N)cc1 T6782 [0,1,0,0,0,0|1,0,0]=2 42 B12R1.16 CCOC(=O)c1ccc(O)cc1 T0834 [0,1,0,0,0,0|0,0,0]=1 43 B12R1.16 CNCC(O)c1ccc(O)cc1 T1287 [0,1,0,0,0,0|1,0,2]=4 44 B12R1.16 OCCC(=O)c1ccc(O)cc1 TN5924 [0,1,0,0,0,0|1,0,0]=2 45 B12R1.367 COC(=O)c1cc(O)c(O)cc1 T1368 [0,1,0,0,0,0|0,0,0]=1 46 B12R1.367 ONC(=O)c1ccc(O)c(O)c1 T7525 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.1703 COC(=O)c1ccc(O)cc1O TN6707 [0,1,0,0,0,0|0,0,0]=1 48 B12R2.612 Clc1ccc2c(c1)s[nH]c2=O T20972 [0,0,0,1,0,0|3,0,0]=4 49 B12R2.612 Fc1ccc2c(c1)s[nH]c2=O T5601 [0,0,0,1,0,0|3,0,0]=4 50 B12R2.612 OB1OCc2cc(Cl)ccc12 T4040 [0,0,0,1,0,0|2,0,1]=4 51 B12R2.612 OB1OCc2cc(F)ccc12 T3349 [0,0,0,1,0,0|2,0,1]=4 52 B12R1.49 CCC(=O)Nc1ccc(O)cc1 T19140 [0,0,0,0,0,1|1,0,0]=2 53 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [0,0,0,0,0,1|0,0,0]=1 54 B9R1.1 CCc1ccc(O)cc1 T5883 [2,0,0,0,0,0|0,0,1]=3 55 B9R1.1 COc1ccc(F)cc1 T0528 [2,0,0,0,0,0|1,0,0]=3 56 B9R1.1 COc1ccc(O)cc1 T0501 [2,0,0,0,0,0|0,0,0]=2 57 B9R1.1 NCc1ccc(O)cc1 T21095 [2,0,0,0,0,0|1,0,1]=4 58 B9R1.1 OCc1ccc(O)cc1 T3752 [2,0,0,0,0,0|0,0,1]=3 59 B9R1.1 OCc1ccc(cn1)O T40502 [2,0,0,0,0,0|1,0,1]=4 60 B9R1.1 Oc1ccc(C=C)cc1 T13509 [2,0,0,0,0,0|0,0,1]=3 61 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [2,0,0,0,0,0|0,0,0]=2 62 B9R1.8 CCOc1ccccc1 T19753 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.8 CNCc1ccccc1 T8016 [2,0,0,0,0,0|1,0,1]=4 64 B9R1.8 O/N=C/c1ccccc1 T20350 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.6 CC(=O)c1ccccc1 T7446 [2,0,0,0,0,0|0,0,0]=2 66 B9R1.6 CC(=O)c1cnccn1 T5596 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.6 C[C@H](O)c1ccccc1 T4784 [2,0,0,0,0,0|0,0,2]=4 68 B9R1.6 NC(=N)c1ccccc1 T8362 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.6 NC(=O)c1ccccc1 T6780 [2,0,0,0,0,0|1,0,0]=3 70 B9R1.6 NC(=O)c1ccccn1 T6942 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.6 NC(=O)c1cccnc1 T0934 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.6 NC(=O)c1ccncc1 T0552 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [2,0,0,0,0,0|1,0,0]=3 74 B9R1.6 OB(O)c1ccccc1 T30355 [2,0,0,0,0,0|1,0,1]=4 75 B9R1.6 OC(=O)c1ccccc1 T0833 [2,0,0,0,0,0|0,0,0]=2 76 B9R1.6 OC(=O)c1ccccn1 T4850 [2,0,0,0,0,0|1,0,0]=3 77 B9R1.6 OC(=O)c1cccnc1 T0879 [2,0,0,0,0,0|1,0,0]=3 78 B9R1.6 OC(=O)c1ccncc1 Fr13756 [2,0,0,0,0,0|1,0,0]=3 79 B9R1.6 OC(=O)c1cnccn1 T0569 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.6 OP(=O)c1ccccc1 T20416 [2,0,0,0,0,0|1,0,0]=3 81 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [2,0,0,0,0,0|0,0,1]=3 82 B9R1.6 [O-]C(=O)c1ccccn1 T4575 [2,0,0,0,0,0|1,0,1]=4 83 B11R1.1 CCOCc1ccc(O)cc1 TN3029 [1,1,0,0,0,0|0,0,1]=3 84 B11R1.1 COCCc1ccc(O)cc1 T0635 [1,1,0,0,0,0|0,0,1]=3 85 B11R1.1 OCC=Cc1ccc(O)cc1 TN2028 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.1 OCCCc1ccc(O)cc1 T3738 [1,1,0,0,0,0|1,0,1]=4 87 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.83 COc1ccc(C=CC)cc1 T0014 [1,1,0,0,0,0|1,0,0]=3 90 B11R1.83 COc1ccc(cc1)/C=C/C T0762 [1,1,0,0,0,0|1,0,0]=3 91 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.3 COc1ccc(cc1)C(O)=O TCS0862 [1,1,0,0,0,0|0,0,0]=2 93 B11R1.3 COc1ccc(cn1)C(N)=O T8106 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.3 NCc1ccc(cc1)C(O)=O T1252 [1,1,0,0,0,0|1,0,0]=3 95 B11R1.3 OC(=O)c1ccc(C=O)cc1 T1691 [1,1,0,0,0,0|0,0,1]=3 96 B11R1.19 Cc1ccc(cc1)S(O)(=O)=O T19499 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.19 Nc1ccc(cc1)[Sb](O)(O)=O T33637 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.21 CC(=O)c1ccc(O)c(O)c1 T3734 [1,1,0,0,0,0|0,0,0]=2 99 B11R1.21 CC(C)C1=CC(=C(C=C1)O)O T9065 [1,1,0,0,0,0|1,0,1]=4 100 B11R1.21 Cc1cc(ccc1O)C(O)=O T5298 [1,1,0,0,0,0|0,0,0]=2 101 B11R1.21 Cc1ccc(cc1C)C(O)=O T19115 [1,1,0,0,0,0|1,0,0]=3 102 B11R1.21 Cn1cc(ccc1=O)C(O)=O T6981 [1,1,0,0,0,0|1,0,1]=4 103 B11R1.21 Nc1cc(ccc1O)C(O)=O T4770 [1,1,0,0,0,0|0,0,0]=2 104 B11R1.21 OC(=O)c1ccc(Br)c(O)c1 T7454 [1,1,0,0,0,0|1,0,0]=3 105 B11R1.21 OC(=O)c1ccc(O)c(O)c1 T0562 [1,1,0,0,0,0|0,0,0]=2 106 B11R1.21 Oc1ccc(cc1Cl)[N+]([O-])=O T9443 [1,1,0,0,0,0|1,0,1]=4 107 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [1,1,0,0,0,0|1,0,0]=3 108 B11R1.166 CC(=O)c1ccc(O)cc1O T3751 [1,1,0,0,0,0|0,0,0]=2 109 B11R1.166 Cc1cc(O)ccc1[N+]([O-])=O T21283 [1,1,0,0,0,0|1,0,1]=4 110 B11R1.166 Cc1ccc(C(O)=O)c(O)c1 T22225 [1,1,0,0,0,0|1,0,0]=3 111 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T0441 [1,1,0,0,0,0|1,0,0]=3 112 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T1296 [1,1,0,0,0,0|1,0,0]=3 113 B11R1.166 Nc1ccc(C([O-])=O)c(O)c1 T0020 [1,1,0,0,0,0|1,0,1]=4 114 B11R1.166 OC(=O)c1ccc(Cl)cc1O T0666 [1,1,0,0,0,0|1,0,0]=3 115 B11R1.166 OC(=O)c1ccc(O)cc1O T5890 [1,1,0,0,0,0|0,0,0]=2 116 B11R1.166 OC(=O)c1cnc(O)nc1O T4711 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.16 CCCC(=O)c1ccccc1 T20324 [1,1,0,0,0,0|1,0,0]=3 118 B11R1.16 CCOC(=O)c1ccccc1 TN4020 [1,1,0,0,0,0|0,0,0]=2 119 B11R1.16 ClCCC(=O)c1ccccc1 T1342 [1,1,0,0,0,0|1,0,0]=3 120 B11R1.16 OCNC(=O)c1cccnc1 T7869 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.23 COC(=O)c1cccc(O)c1 T33331 [1,1,0,0,0,0|0,0,0]=2 122 B11R1.23 COC(=O)c1cncc(C)c1 T0548 [1,1,0,0,0,0|1,0,0]=3 123 B11R1.23 NNC(=O)c1cccc(O)c1 T21202 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.36 CC(=O)C(=O)c1ccccc1 T7450 [1,1,0,0,0,0|1,0,0]=3 125 B11R1.36 CC(O)C(=O)c1ccccc1 T29353 [1,1,0,0,0,0|1,0,0]=3 126 B11R1.36 OC(=O)C(=O)c1ccccc1 T8025 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.222 CCC(=O)c1ccccc1O T20371 [1,1,0,0,0,0|1,0,0]=3 128 B11R1.222 COC(=O)c1ccccc1N TN1925 [1,1,0,0,0,0|0,0,0]=2 129 B11R1.222 COC(=O)c1ccccc1O T0399 [1,1,0,0,0,0|0,0,0]=2 130 B11R1.222 COC(=O)c1nccnc1N T22363 [1,1,0,0,0,0|2,0,0]=4 131 B13R1.5 COc1ccc(NC(=O)C=C)cc1 T50041 [0,1,0,0,0,1|1,0,1]=4 132 B13R1.19 CCOC(=O)Cc1ccc(O)cc1 Fr12415 [0,1,0,0,0,1|0,0,0]=2 133 B13R1.133 OC(=O)C(=O)Cc1ccc(O)cc1 T4858 [0,1,0,0,0,1|2,0,0]=4 134 B13R1.2879 CCC(=O)Nc1ccc(Cl)c(Cl)c1 T16582 [0,1,0,0,0,1|2,0,0]=4 135 B13R1.2879 CNC(=O)Oc1ccc(C)c(C)c1 T35214 [0,1,0,0,0,1|2,0,0]=4 136 B13R1.4920 COC(=O)CC1(O)C=CC(=O)C=C1 TN5797 [0,1,0,0,0,1|0,0,2]=4 137 B13R1.139 CCOc1ccc(cc1)C(=O)OC T20461 [0,2,0,0,0,0|0,0,0]=2 138 B13R1.3088 COC(=O)c1ccc(OC)c(O)c1 TN6520 [0,2,0,0,0,0|0,0,0]=2 139 B13R1.331 COC(CO)c1ccc(O)c(O)c1 TN3001 [0,2,0,0,0,0|0,0,2]=4 140 B13R1.17 CCCCC(=O)c1ccc(O)cc1 T20372 [0,2,0,0,0,0|1,0,0]=3 141 B13R1.17 CCCOC(=O)c1ccc(N)cc1 T20260 [0,2,0,0,0,0|1,0,0]=3 142 B13R1.17 CCCOC(=O)c1ccc(O)cc1 T5557 [0,2,0,0,0,0|0,0,0]=2 143 B13R1.17 O=C(NCCN)C1=CC=C(Cl)C=C1 T28559 [0,2,0,0,0,0|2,0,0]=4 144 B13R1.17 OCCNC(=O)c1ccc(O)cc1 TN1456 [0,2,0,0,0,0|1,0,0]=3 145 B13R1.132 CC(C)OC(=O)c1ccc(O)cc1 T5686 [0,2,0,0,0,0|0,0,0]=2 146 B13R1.466 CCOC(=O)c1ccc(O)c(O)c1 T5684 [0,2,0,0,0,0|0,0,0]=2 147 B13R1.466 CNCC(=O)c1ccc(O)c(O)c1 T0948 [0,2,0,0,0,0|1,0,0]=3 148 B13R1.466 CNCC(=O)c1ccc(O)c(O)c1 T23571 [0,2,0,0,0,0|1,0,0]=3 149 B13R1.510 CC(C)C(=O)c1ccc(O)c(O)c1 T29029 [0,2,0,0,0,0|1,0,0]=3 150 B13R1.49 COC(=O)c1ccc(O)c(OC)c1 T2818 [0,2,0,0,0,0|0,0,0]=2 151 B13R1.2678 COC(=O)c1cc(O)c(O)c(O)c1 T3730 [0,2,0,0,0,0|0,0,0]=2 152 B13R1.4656 CCC(=O)c1c(O)cc(O)cc1O T0525 [0,2,0,0,0,0|1,0,0]=3 153 B13R1.4656 COC(=O)c1c(O)cc(O)cc1O TN5779 [0,2,0,0,0,0|0,0,0]=2 154 B11R2.36 Oc1ccc2cc[nH]c2c1 T5682 [1,0,0,1,0,0|2,0,0]=4 155 B11R2.1 O=C1CCc2ccccc12 T0564 [1,0,0,1,0,0|1,0,0]=3 156 B13R2.3683 Oc1ccc2oc(=O)ccc2c1 T2S0357 [0,0,0,1,0,1|1,0,1]=4 157 B13R2.5179 Clc1ccc2C(=O)CCCc2c1 T21355 [0,1,0,1,0,0|2,0,0]=4 158 B13R2.5179 Oc1ccc2c(c1)occc2=O T7345 [0,1,0,1,0,0|1,0,1]=4 159 B13R2.11642 Oc1cc2COC(=O)c2c(O)c1 TN5688 [0,1,0,1,0,0|0,0,0]=2 160 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [1,0,0,0,1,0|2,0,0]=4 161 B9R1.11 COC(=O)c1ccco1 T8022 [1,0,0,0,1,0|1,0,0]=3 162 B11R1.40 C=CC(Nc1ccccc1)=O T9322 [1,0,0,0,0,1|1,0,1]=4 163 B13R1.14 COC(=O)/C=C/c1ccc(O)cc1 T3733 [0,0,0,0,0,2|0,0,0]=2 164 B13R1.14 COC(C=Cc1ccc(O)cc1)=O T2819 [0,0,0,0,0,2|0,0,0]=2