0 B11R1.40 C/C(C=O)=C/c1ccccc1 T29898 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.40 C=CC(Nc1ccccc1)=O T9322 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.40 CC(Cc1ccccc1)NN T24631 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.17 CCOCc1ccccc1 T36790 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.17 CNCCc1ccccn1 T0246 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.17 CNCCc1ccccn1 T0246L [1,0,0,0,0,0|2,0,1]=4 6 B10R1.17 CNCCc1ccccn1 T4195 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.17 NNCCc1ccccc1 T12441 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.17 NNCCc1ccccc1 T50010 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.17 O=CCCc1ccccc1 T20312 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.17 OC/C=C/c1ccccc1 TN2982 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.17 OCC=Cc1ccccc1 T5S1550 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.17 OCCCc1ccccc1 T3754 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.17 S=C=NCc1ccccc1 T1082 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.18 C1=NC=CC=C1CC(O)=O T19128 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.18 CC(=S)Nc1ccccc1 T20263 [1,0,0,0,0,0|1,1,0]=3 19 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,0,0,0,0,0|1,0,1]=3 20 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.18 OC(=O)Cc1cccnc1 T1366 [1,0,0,0,0,0|1,0,0]=2 22 B12R1.32 CCCC(=O)Oc1ccccc1 T25946 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.32 CCOC(=O)Cc1ccccc1 T19317 [0,1,0,0,0,0|0,0,0]=1 24 B12R1.43 CC(Cc1ccccc1)N(C)N T28024 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.43 OC(=O)C(=O)Cc1ccccc1 T5251 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.43 OC(=O)C(=O)Nc1ccccc1 T33837 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.43 [O-]C(=O)C(=O)Cc1ccccc1 T4891 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.49 CCC(=O)Nc1ccc(O)cc1 T19140 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [0,1,0,0,0,0|0,0,0]=1 30 B12R1.50 CCC(=O)Nc1cccc(O)c1 T34153 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.50 CNC(=O)Oc1cccc(C)c1 T21216 [0,1,0,0,0,0|2,0,0]=3 32 B12R1.50 CSC(=O)Nc1cccc(O)c1 T30736 [0,1,0,0,0,0|1,1,0]=3 33 B12R1.50 O=C(NC1=CC=CC(C)=C1)CO T29382 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.194 CNC(C)(C)Cc1ccccc1 T33287 [0,1,0,0,0,0|2,0,1]=4 35 B12R2.18 CC1C(=O)Nc2ccccc12 T0538 [0,0,0,1,0,0|2,0,0]=3 36 B12R2.18 O=C1Nc2ccccc2C1=O T6862 [0,0,0,1,0,0|3,0,0]=4 37 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,1,0,0|1,0,0]=2 38 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,0,0|2,0,0]=3 39 B12R2.24 O=c1ccc2ccccc2o1 T0775 [0,0,0,1,0,0|2,0,1]=4 40 B10R1.15 C=CC(=O)c1ccccc1 T20607 [0,0,0,0,1,0|1,0,1]=3 41 B10R1.15 CCC(C1=CC=NC=C1)=O T20581 [0,0,0,0,1,0|2,0,0]=3 42 B10R1.15 CNC(=O)c1ccccc1 T12150 [0,0,0,0,1,0|1,0,0]=2 43 B10R1.15 CNC(=O)c1cccnc1 T5233 [0,0,0,0,1,0|2,0,0]=3 44 B10R1.15 COC(=O)c1cccnc1 T5562 [0,0,0,0,1,0|1,0,0]=2 45 B10R1.15 COC(c1ncccc1)=O T22220 [0,0,0,0,1,0|1,0,0]=2 46 B10R1.15 NNC(=O)c1ccccn1 T1374 [0,0,0,0,1,0|3,0,0]=4 47 B10R1.15 NNC(=O)c1cccnc1 T0664 [0,0,0,0,1,0|3,0,0]=4 48 B10R1.15 NNC(=O)c1ccncc1 T0972 [0,0,0,0,1,0|3,0,0]=4 49 B10R1.15 NNC(=S)c1ccccc1 T10513 [0,0,0,0,1,0|2,1,0]=4 50 B10R1.15 O=CC(=O)c1ccccc1 T38465 [0,0,0,0,1,0|2,0,0]=3 51 B12R1.27 CCC(=O)O[Hg]c1ccccc1 T34024 [0,0,0,0,0,1|2,0,0]=3 52 B12R1.27 COC(=O)/C=C/c1ccccc1 T5552 [0,0,0,0,0,1|0,0,1]=2 53 B12R1.27 COC(=O)C=Cc1ccccc1 TN6703 [0,0,0,0,0,1|0,0,1]=2 54 B12R1.27 COC(=O)CCc1ccccc1 T9513 [0,0,0,0,0,1|0,0,0]=1 55 B9R0.2 C/C=C/C=C/C=C/C(O)=O T33059 [1,0,1,0,0,0|0,0,2]=4 56 B9R1.8 CCOc1ccccc1 T19753 [2,0,0,0,0,0|1,0,1]=4 57 B9R1.8 CNCc1ccccc1 T8016 [2,0,0,0,0,0|1,0,0]=3 58 B9R1.8 NCCc1ccccc1 T2935 [2,0,0,0,0,0|1,0,1]=4 59 B9R1.8 NCCc1ccccc1 T7433 [2,0,0,0,0,0|1,0,1]=4 60 B9R1.8 O/N=C/c1ccccc1 T20350 [2,0,0,0,0,0|1,0,1]=4 61 B9R1.8 O=CCc1ccccc1 TCS1857 [2,0,0,0,0,0|0,0,0]=2 62 B9R1.8 OCCc1ccccc1 T0011 [2,0,0,0,0,0|0,0,1]=3 63 B9R1.8 OCCc1ccccn1 T0658 [2,0,0,0,0,0|1,0,1]=4 64 B11R1.1 CCOCc1ccc(O)cc1 TN3029 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.1 COCCc1ccc(O)cc1 T0635 [1,1,0,0,0,0|0,0,1]=3 66 B11R1.16 CC(/C=N/O)c1ccccc1 T29369 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.24 CNCCc1cccc(O)c1 T34003 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.28 OCCCCc1ccccc1 T20370 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.28 OCCOCc1ccccc1 T14013 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [1,1,0,0,0,0|1,0,1]=4 73 B11R1.91 CC(=O)NCc1ccccc1 T5924 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.91 CC(=O)OCc1ccccc1 T5615 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [1,1,0,0,0,0|1,0,0]=3 76 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.20 NC(=O)Nc1ccc(Cl)cc1 T20454 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.20 OC(=O)Cc1ccc(O)cc1 T3743 [1,1,0,0,0,0|0,0,0]=2 80 B11R1.36 CC(=O)C(=O)c1ccccc1 T7450 [1,1,0,0,0,0|0,0,1]=3 81 B11R1.36 C[C@H](O)[C@H](O)c1ccccc1 TN4002 [1,1,0,0,0,0|0,0,2]=4 82 B11R1.36 NC(C(O)=O)c1ccccc1 T13485 [1,1,0,0,0,0|0,0,0]=2 83 B11R1.36 OC(=O)C(=C)c1ccccc1 T0629 [1,1,0,0,0,0|0,0,1]=3 84 B11R1.36 OC(=O)C(=O)c1ccccc1 T8025 [1,1,0,0,0,0|0,0,1]=3 85 B11R1.36 OC(=O)C(S)c1ccccc1 T26271 [1,1,0,0,0,0|0,0,0]=2 86 B11R1.36 OC(C(O)=O)c1ccccc1 T33320 [1,1,0,0,0,0|0,0,0]=2 87 B11R1.36 OC(C(O)=O)c1ccccc1 T4848 [1,1,0,0,0,0|0,0,0]=2 88 B11R1.36 OC(C([O-])=O)c1ccccc1 T30005 [1,1,0,0,0,0|0,0,1]=3 89 B11R1.36 O[C@@H](C(O)=O)c1ccccc1 T2S0122 [1,1,0,0,0,0|0,0,0]=2 90 B11R1.86 OC(=O)Cc1ccccc1O T5308 [1,1,0,0,0,0|0,0,0]=2 91 B11R1.157 CC(=O)Nc1cccc(C)c1 T21117 [1,1,0,0,0,0|1,0,0]=3 92 B11R1.157 CC(=O)Nc1cccc(O)c1 T0914 [1,1,0,0,0,0|1,0,0]=3 93 B11R1.157 CC(=O)Oc1cccc(O)c1 T0339 [1,1,0,0,0,0|1,0,0]=3 94 B11R1.157 CC(N)Cc1cccc(O)c1 T50039 [1,1,0,0,0,0|1,0,1]=4 95 B11R1.157 Cc1cccc(CC(O)=O)c1 T19409 [1,1,0,0,0,0|0,0,0]=2 96 B11R1.157 NC(=O)Nc1cccc(O)c1 T21201 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.157 OC(=O)Cc1cccc(O)c1 T4829 [1,1,0,0,0,0|0,0,0]=2 98 B11R1.157 OC1=CC=CC(CC(N)C)=C1 T31922 [1,1,0,0,0,0|1,0,1]=4 99 B11R1.509 CC(C)(N)Cc1ccccc1 T21436 [1,1,0,0,0,0|1,0,1]=4 100 B11R1.509 FS(=O)(=O)Cc1ccccc1 T0789 [1,1,0,0,0,0|1,0,1]=4 101 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,1,0|0,0,0]=2 102 B11R1.22 COC(=O)c1ccc(O)cn1 T40388 [0,1,0,0,1,0|1,0,0]=3 103 B11R1.22 Clc1ccc(cc1)C(=O)CBr T8908 [0,1,0,0,1,0|2,0,0]=4 104 B11R1.22 NNC(=O)c1ccc(N)cc1 T26389 [0,1,0,0,1,0|2,0,0]=4 105 B11R1.22 Oc1ccc(cc1)C(=O)C=O T32102 [0,1,0,0,1,0|2,0,0]=4 106 B11R1.22 Oc1ccc(cc1)C(=O)CBr T7084 [0,1,0,0,1,0|2,0,0]=4 107 B11R1.23 COC(=O)c1cccc(O)c1 T33331 [0,1,0,0,1,0|0,0,0]=2 108 B11R1.23 COC(=O)c1cncc(C)c1 T0548 [0,1,0,0,1,0|1,0,0]=3 109 B11R1.23 NNC(=O)c1cccc(O)c1 T21202 [0,1,0,0,1,0|2,0,0]=4 110 B11R1.222 CCC(=O)c1ccccc1O T20371 [0,1,0,0,1,0|1,0,0]=3 111 B11R1.222 COC(=O)c1ccccc1N TN1925 [0,1,0,0,1,0|0,0,0]=2 112 B11R1.222 COC(=O)c1ccccc1O T0399 [0,1,0,0,1,0|0,0,0]=2 113 B11R1.222 COC(=O)c1nccnc1N T22363 [0,1,0,0,1,0|2,0,0]=4 114 B13R1.14 COC(=O)/C=C/c1ccc(O)cc1 T3733 [0,1,0,0,0,1|0,0,1]=3 115 B13R1.14 COC(C=Cc1ccc(O)cc1)=O T2819 [0,1,0,0,0,1|0,0,1]=3 116 B13R1.42 CCOC(C=Cc1ccccc1)=O TN1624 [0,1,0,0,0,1|0,0,1]=3 117 B13R1.42 ClCCC(=O)NCc1ccccc1 T1249 [0,1,0,0,0,1|1,0,0]=3 118 B13R1.351 CC(O)C(=O)OCc1ccccc1 T20440 [0,1,0,0,0,1|1,0,0]=3 119 B13R1.19 CCOC(=O)Cc1ccc(O)cc1 Fr12415 [0,2,0,0,0,0|0,0,0]=2 120 B13R1.20 CCOC(=O)Nc1cccc(O)c1 T21203 [0,2,0,0,0,0|1,0,0]=3 121 B13R1.47 CCOC(=O)C(=O)c1ccccc1 T20351 [0,2,0,0,0,0|0,0,1]=3 122 B13R1.47 CCOC(=O)C(O)c1ccccc1 T20321 [0,2,0,0,0,0|0,0,0]=2 123 B13R1.348 CC(C)OC(=O)Nc1ccccc1 T34151 [0,2,0,0,0,0|1,0,0]=3 124 B13R1.133 OC(=O)C(=O)Cc1ccc(O)cc1 T4858 [0,2,0,0,0,0|2,0,0]=4 125 B13R1.353 CC(C)(C)C(=O)Nc1ccccc1 T20498 [0,2,0,0,0,0|2,0,0]=4 126 B13R1.418 O/N=C(/Cc1ccccc1)C(O)=O T24140 [0,2,0,0,0,0|2,0,0]=4 127 B13R1.2879 CCC(=O)Nc1ccc(Cl)c(Cl)c1 T16582 [0,2,0,0,0,0|2,0,0]=4 128 B13R1.2879 CNC(=O)Oc1ccc(C)c(C)c1 T35214 [0,2,0,0,0,0|2,0,0]=4 129 B13R1.4920 COC(=O)CC1(O)C=CC(=O)C=C1 TN5797 [0,2,0,0,0,0|0,0,1]=3 130 B11R2.1 Cc1c[nH]c2ccccc12 T5281 [1,0,0,1,0,0|2,0,0]=4 131 B11R2.20 C1SSCc2ccccc12 T12696 [1,0,0,1,0,0|1,1,0]=4 132 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [1,0,0,1,0,0|1,0,0]=3 133 B11R2.10 O=c1[nH]c2ccccc2[nH]1 T0662 [1,0,0,1,0,0|2,0,0]=4 134 B11R2.10 O=c1[nH]c2ccccc2o1 T5572 [1,0,0,1,0,0|1,0,0]=3 135 B13R2.57 COc1ccc2ccccc2c1 T0573 [0,0,0,1,0,1|1,0,1]=4 136 B13R2.64 C(C1=NCCN1)c2ccccc2 T1680 [0,1,0,1,0,0|2,0,0]=4 137 B13R2.64 C(C1=NCCN1)c2ccccc2 T21447 [0,1,0,1,0,0|2,0,0]=4 138 B13R2.135 CCn1c2ccccc2[nH]c1=O T2604 [0,1,0,1,0,0|2,0,0]=4 139 B13R2.45 N/C=C1\Cc2ccccc2C1=O T31576 [0,1,0,1,0,0|2,0,0]=4 140 B13R2.369 CN1Cc2ccccc2NC1=O T50006 [0,1,0,1,0,0|2,0,0]=4 141 B13R2.369 Cc1cc2ccccc2[nH]c1=O T50035 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,1,0|0,0,0]=2 143 B9R1.6 CC(=O)c1cnccn1 T5596 [1,0,0,0,1,0|2,0,0]=4 144 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,1,0|0,0,2]=4 145 B9R1.6 NC(=N)c1ccccc1 T8362 [1,0,0,0,1,0|2,0,0]=4 146 B9R1.6 NC(=O)c1ccccc1 T6780 [1,0,0,0,1,0|1,0,0]=3 147 B9R1.6 NC(=O)c1ccccn1 T6942 [1,0,0,0,1,0|2,0,0]=4 148 B9R1.6 NC(=O)c1cccnc1 T0934 [1,0,0,0,1,0|2,0,0]=4 149 B9R1.6 NC(=O)c1ccncc1 T0552 [1,0,0,0,1,0|2,0,0]=4 150 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [1,0,0,0,1,0|1,0,0]=3 151 B9R1.6 OB(O)c1ccccc1 T30355 [1,0,0,0,1,0|1,0,1]=4 152 B9R1.6 OC(=O)c1ccccc1 T0833 [1,0,0,0,1,0|0,0,0]=2 153 B9R1.6 OC(=O)c1ccccn1 T4850 [1,0,0,0,1,0|1,0,0]=3 154 B9R1.6 OC(=O)c1cccnc1 T0879 [1,0,0,0,1,0|1,0,0]=3 155 B9R1.6 OC(=O)c1ccncc1 Fr13756 [1,0,0,0,1,0|1,0,0]=3 156 B9R1.6 OC(=O)c1cnccn1 T0569 [1,0,0,0,1,0|2,0,0]=4 157 B9R1.6 OP(=O)c1ccccc1 T20416 [1,0,0,0,1,0|1,0,0]=3 158 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [1,0,0,0,1,0|0,0,1]=3 159 B9R1.6 [O-]C(=O)c1ccccn1 T4575 [1,0,0,0,1,0|1,0,1]=4 160 B9R1.13 OC(=O)Cc1c[nH]cn1 T13735 [1,0,0,0,1,0|2,0,0]=4 161 B9R1.13 OC(=O)Cc1cnc[nH]1 T4753 [1,0,0,0,1,0|2,0,0]=4 162 B9R1.11 COC(=O)c1ccco1 T8022 [0,0,0,0,2,0|1,0,0]=3 163 B13R1.718 CCC(=O)OCCc1ccccc1 T33975 [0,0,0,0,0,2|1,0,0]=3