0 B12R2.24 Clc1ccc2ccccc2c1 T20317 [0,0,0,0,0,0|1,0,0]=1 1 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,0,0,0|0,1,3]=4 2 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,0,0,0|1,1,2]=4 3 B12R2.24 O=c1ccc2ccccc2o1 T0775 [0,0,0,0,0,0|1,1,0]=2 4 B12R2.24 Oc1ccc2ccccc2c1 T0671 [0,0,0,0,0,0|0,1,0]=1 5 B13R2.32 O=C1C=Cc2ccccc2C1=O T20410 [0,1,0,0,0,0|0,1,0]=2 6 B13R2.57 C=Cc1ccc2ncccc2c1 T50059 [0,1,0,0,0,0|2,0,0]=3 7 B13R2.57 COc1ccc2ccccc2c1 T0573 [0,1,0,0,0,0|0,1,0]=2 8 B13R2.57 N#Cc1ccc2ccccc2c1 T20261 [0,1,0,0,0,0|1,0,0]=2 9 B13R2.155 Cc1ccc2ccc(=O)oc2c1 T7934 [0,1,0,0,0,0|1,1,0]=3 10 B13R2.155 Oc1ccc2ccc(=O)[nH]c2c1 T22226 [0,1,0,0,0,0|1,1,0]=3 11 B13R2.155 Oc1ccc2ccc(=O)oc2c1 T1693 [0,1,0,0,0,0|1,1,0]=3 12 B13R2.162 Oc1cccc2ccc(=O)[nH]c12 T2291 [0,1,0,0,0,0|1,1,0]=3 13 B13R2.328 O=c1[nH]c(=O)c2ccccc2o1 T0258 [0,1,0,0,0,0|2,1,0]=4 14 B13R2.328 Oc1cc(=O)oc2ccccc12 PDK0015 [0,1,0,0,0,0|1,1,0]=3 15 B13R2.328 Oc1cc2ccccc2c(O)c1 TD0092 [0,1,0,0,0,0|0,1,0]=2 16 B13R2.328 Oc1nc(O)c2ccccc2n1 T8020 [0,1,0,0,0,0|2,1,0]=4 17 B13R2.369 Cc1cc2ccccc2[nH]c1=O T50035 [0,1,0,0,0,0|1,1,0]=3 18 B13R2.369 Nc1cc2ccccc2cc1N T18881 [0,1,0,0,0,0|1,0,0]=2 19 B13R2.369 Nc1cc2ccccc2oc1=O TN1243 [0,1,0,0,0,0|1,1,0]=3 20 B13R2.369 O=c1[nH]c2ccccc2[nH]c1=O T20436 [0,1,0,0,0,0|2,1,0]=4 21 B13R2.369 Oc1cc2ccccc2oc1=O T8002 [0,1,0,0,0,0|1,1,0]=3 22 B13R2.3683 Cc1ccc2nc(C)ccc2c1 T37784 [0,1,0,0,0,0|2,0,0]=3 23 B13R2.3683 Cc1ccc2oc(=O)ccc2c1 T5647 [0,1,0,0,0,0|1,1,0]=3 24 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 T9432 [0,1,0,0,0,0|0,1,0]=2 25 B13R2.3683 Oc1ccc2oc(=O)ccc2c1 T2S0357 [0,1,0,0,0,0|1,1,0]=3 26 B13R2.5179 Oc1ccc2c(c1)occc2=O T7345 [0,1,0,0,0,0|1,1,0]=3 27 B13R2.5179 Oc1cnc2c(O)cccc2c1 T32291 [0,1,0,0,0,0|1,1,0]=3 28 B11R1.1 OCC=Cc1ccc(O)cc1 TN2028 [0,0,1,0,0,0|1,1,1]=4 29 B11R1.17 Oc1ccccc1/C=C/C=O TN2857 [0,0,1,0,0,0|1,1,0]=3 30 B11R1.17 Oc1ccccc1C=CC=O TN6938 [0,0,1,0,0,0|1,1,0]=3 31 B11R1.40 C/C(C=O)=C/c1ccccc1 T29898 [0,0,1,0,0,0|2,0,0]=3 32 B11R1.40 C=CC(Nc1ccccc1)=O T9322 [0,0,1,0,0,0|1,1,0]=3 33 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [0,0,1,0,0,0|0,1,1]=3 34 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [0,0,1,0,0,0|0,1,1]=3 35 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T13669 [0,0,1,0,0,0|1,1,0]=3 36 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T20050 [0,0,1,0,0,0|1,1,0]=3 37 B11R1.91 OC(=O)/C=C/c1ccccc1 T2740 [0,0,1,0,0,0|1,1,0]=3 38 B11R1.91 OC(C=Cc1ccccc1)=O T5646 [0,0,1,0,0,0|1,1,0]=3 39 B11R1.182 Cc1ccc(O)c(CC=C)c1 T29333 [0,0,1,0,0,0|2,0,1]=4 40 B11R2.1 Cc1c[nH]c2ccccc12 T5281 [0,0,0,0,1,0|2,0,0]=3 41 B11R2.1 O=C1CCc2ccccc12 T0564 [0,0,0,0,1,0|0,1,2]=4 42 B11R2.10 Nc1nc2ccccc2s1 T1347 [0,0,0,0,1,0|3,0,0]=4 43 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [0,0,0,0,1,0|1,1,1]=4 44 B11R2.10 O=c1[nH]c2ccccc2[nH]1 T0662 [0,0,0,0,1,0|2,1,0]=4 45 B11R2.10 O=c1[nH]c2ccccc2o1 T5572 [0,0,0,0,1,0|2,1,0]=4 46 B11R2.10 Sc1nc2ccccc2s1 T19856 [0,0,0,0,1,0|2,0,0]=3 47 B11R2.10 [S-]c1nc2ccccc2[nH]1 T21238 [0,0,0,0,1,0|2,0,1]=4 48 B11R2.36 Brc1ccc2[nH]ccc2c1 T7473 [0,0,0,0,1,0|2,0,0]=3 49 B11R2.36 Oc1ccc2cc[nH]c2c1 T5682 [0,0,0,0,1,0|1,1,0]=3 50 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [1,0,1,0,0,0|0,1,0]=3 51 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [1,0,1,0,0,0|0,1,0]=3 52 B10R1.17 OC/C=C/c1ccccc1 TN2982 [1,0,1,0,0,0|0,1,1]=4 53 B10R1.17 OCC=Cc1ccccc1 T5S1550 [1,0,1,0,0,0|0,1,1]=4 54 B10R1.4 Oc1ccccc1CC=C T20472 [1,0,1,0,0,0|1,0,1]=4 55 B12R1.21 CC1=CC=C(C=C1)\C=C\C(=O)O PDK0101 [0,1,1,0,0,0|2,0,0]=4 56 B12R1.21 NC(=O)/C=C/c1ccc(O)cc1 TN3042 [0,1,1,0,0,0|1,1,0]=4 57 B12R1.21 O=C(O)C=CC1=CC=C(O)C=C1 T7053 [0,1,1,0,0,0|1,1,0]=4 58 B12R1.21 OC(=O)/C=C/c1ccc(O)cc1 T2863 [0,1,1,0,0,0|1,1,0]=4 59 B12R1.21 OC(=O)/C=C\c1ccc(O)cc1 TN6840 [0,1,1,0,0,0|1,1,0]=4 60 B12R1.21 OC(=O)C=Cc1ccc(Cl)cc1 TN6604 [0,1,1,0,0,0|2,0,0]=4 61 B12R1.71 COc1ccc(C=CC=O)cc1 TN3048 [0,1,1,0,0,0|1,1,0]=4 62 B12R1.121 COc1ccccc1C=CC=O T7452 [0,1,1,0,0,0|0,1,1]=4 63 B12R1.125 OC(=O)/C=C/c1ccccc1O T7991 [0,1,1,0,0,0|1,1,0]=4 64 B12R1.125 OC(=O)C=Cc1ccccc1Cl TN6659 [0,1,1,0,0,0|1,1,0]=4 65 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 T19408 [0,1,1,0,0,0|1,1,0]=4 66 B12R1.226 O=C(O)\C=C\c1cccc(O)c1 T7453 [0,1,1,0,0,0|1,1,0]=4 67 B12R1.226 OC(=O)/C=C/c1cccc(F)c1 T21182 [0,1,1,0,0,0|2,0,0]=4 68 B12R1.27 COC(=O)/C=C/c1ccccc1 T5552 [0,1,1,0,0,0|0,1,1]=4 69 B12R1.27 COC(=O)C=Cc1ccccc1 TN6703 [0,1,1,0,0,0|0,1,1]=4 70 B12R2.1081 Brc1cccc2ccccc12 T29891 [1,1,0,0,0,0|0,0,0]=2 71 B12R2.1081 Fc1cccc2ccccc12 T0541 [1,1,0,0,0,0|0,0,0]=2 72 B12R2.1081 Oc1cccc2ccccc12 T10023 [1,1,0,0,0,0|0,0,0]=2 73 B12R2.1081 Oc1cccc2cccnc12 T0404 [1,1,0,0,0,0|1,0,0]=3 74 B12R2.1081 Oc1cccc2cccnc12 T7887 [1,1,0,0,0,0|1,0,0]=3 75 B12R2.1081 Oc1ccnc2ccccc12 T4272 [1,1,0,0,0,0|1,0,0]=3 76 B12R2.1081 Oc1ncnc2ccccc12 TMO2713 [1,1,0,0,0,0|2,0,0]=4 77 B12R2.1081 Sc1cccc2ccccc12 T20404 [1,1,0,0,0,0|0,0,0]=2 78 B12R2.1 NCc1c[nH]c2ccccc12 T19373 [0,1,0,0,1,0|2,0,0]=4 79 B12R2.1 O=Cc1c[nH]c2ccccc12 T8105 [0,1,0,0,1,0|1,1,0]=4 80 B12R2.1 O=Cc1coc2ccccc12 T7973 [0,1,0,0,1,0|1,1,0]=4 81 B12R2.1 OCc1c[nH]c2ccccc12 T2947 [0,1,0,0,1,0|1,1,0]=4 82 B12R2.18 O=C1Nc2ccccc2C1=O T6862 [0,1,0,0,1,0|1,1,0]=4 83 B12R2.2028 S=C1NC(=S)c2ccccc12 T25525 [0,1,0,0,1,0|1,0,1]=4 84 B12R2.100 Oc1cc2cc[nH]c2cc1O T10164 [0,1,0,0,1,0|1,1,0]=4 85 B14R2.4513 Oc1ccc2ccc(=O)oc2c1O T2851 [0,2,0,0,0,0|1,1,0]=4 86 B14R2.7724 CC1=CC(=O)c2ccccc2C1=O T0449 [0,2,0,0,0,0|1,0,0]=3 87 B14R2.7724 Cc1cc(Br)c(O)c2ncccc12 T17097 [0,2,0,0,0,0|2,0,0]=4 88 B14R2.7724 ClC1=CC(=O)c2ccccc2C1=O T7075 [0,2,0,0,0,0|1,0,0]=3 89 B14R2.7724 Clc1oc(=O)c2ccccc2c1Cl T8677 [0,2,0,0,0,0|2,0,0]=4 90 B14R2.7724 OC1=CC(=O)c2ccccc2C1=O T2969 [0,2,0,0,0,0|0,1,0]=3 91 B14R2.7724 Oc1c(Br)cc(Br)c2cccnc12 T0701 [0,2,0,0,0,0|2,0,0]=4 92 B14R2.7724 Oc1c(Cl)cc(Cl)c2cccnc12 T0500 [0,2,0,0,0,0|2,0,0]=4 93 B14R2.7724 Oc1c(I)cc(Cl)c2cccnc12 T0876 [0,2,0,0,0,0|2,0,0]=4 94 B14R2.7724 Oc1c(I)cc(I)c2cccnc12 T0513 [0,2,0,0,0,0|2,0,0]=4 95 B14R2.29369 Brc1ccc2C(=O)C(=O)C=Cc2c1 T8877 [0,2,0,0,0,0|0,1,0]=3 96 B14R2.134 COc1ccc2ccc(=O)oc2c1 T7049 [0,2,0,0,0,0|1,1,0]=4 97 B14R2.142 Oc1cccc2ccc(C=O)nc12 T2290 [0,2,0,0,0,0|1,1,0]=4 98 B14R2.781 CC(=O)c1ccc2ccccc2c1 T20587 [0,2,0,0,0,0|0,1,0]=3 99 B14R2.781 OC(=O)c1ccc2ccccc2n1 T4780 [0,2,0,0,0,0|1,1,0]=4 100 B14R2.1128 NNc1nc2ccccc2nc1S T15500 [0,2,0,0,0,0|2,0,0]=4 101 B14R2.2332 COc1ccc2cc(Br)ccc2c1 T0663 [0,2,0,0,0,0|0,1,0]=3 102 B14R2.8239 Oc1cc2ccc(=O)oc2cc1O T2798 [0,2,0,0,0,0|1,1,0]=4 103 B14R2.29365 Cc1cc(=O)oc2c1ccc(O)c2 T1391 [0,2,0,0,0,0|1,1,0]=4 104 B14R2.29365 Cc1cc(=O)oc2cc([O-])ccc12 T30703 [0,2,0,0,0,0|1,1,0]=4 105 B14R2.29365 Oc1cc(O)c2ccc(=O)oc2c1 T37345 [0,2,0,0,0,0|1,1,0]=4 106 B14R2.29365 Oc1ccc2c(O)cc(=O)oc2c1 T4137 [0,2,0,0,0,0|1,1,0]=4 107 B14R2.8235 Cc1cc(=O)oc2ccc(O)cc12 TJS0318 [0,2,0,0,0,0|1,1,0]=4 108 B14R2.8235 Cc1ccc2oc(=O)cc(O)c2c1 Fr12277 [0,2,0,0,0,0|1,1,0]=4 109 B14R2.1146 COc1cc(=O)oc2ccccc12 Fr12290 [0,2,0,0,0,0|1,1,0]=4 110 B14R2.28480 Oc1cc(O)c2c(c1)occc2=O T5S1805 [0,2,0,0,0,0|1,1,0]=4 111 B12R2.315 O=Cc1cccc2[nH]ccc12 TN6883 [0,0,1,1,0,0|2,0,0]=4 112 B10R1.15 C=CC(=O)c1ccccc1 T20607 [0,0,1,0,1,0|0,1,0]=3 113 B10R1.15 O=CC(=O)c1ccccc1 T38465 [0,0,1,0,1,0|1,1,0]=4 114 B10R1.15 OC(C=C)c1ccccc1 T50007 [0,0,1,0,1,0|0,1,1]=4 115 B10R1.61 Oc1ccccc1C(S)=S T31535 [0,0,1,0,1,0|2,0,0]=4 116 B10R2.7 c1[nH]nc2ccccc12 T2192 [1,0,0,0,1,0|2,0,0]=4 117 B10R2.7 c1cc2ccccc2[nH]1 T4799 [1,0,0,0,1,0|1,0,0]=3