0 B11R1.40 C/C(C=O)=C/c1ccccc1 T29898 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.40 C=CC(Nc1ccccc1)=O T9322 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.40 CC(Cc1ccccc1)NN T24631 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [1,0,0,0,0,0|0,0,0]=1 4 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [1,0,0,0,0,0|0,0,0]=1 5 B10R1.17 O=CCCc1ccccc1 T20312 [1,0,0,0,0,0|0,0,2]=3 6 B10R1.17 OC/C=C/c1ccccc1 TN2982 [1,0,0,0,0,0|0,0,2]=3 7 B10R1.17 OCC=Cc1ccccc1 T5S1550 [1,0,0,0,0,0|0,0,2]=3 8 B10R1.18 C1=NC=CC=C1CC(O)=O T19128 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.18 CC(=S)Nc1ccccc1 T20263 [1,0,0,0,0,0|1,1,0]=3 11 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,0,0,0,0,0|1,0,2]=4 12 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,0,0,0,0,0|1,0,2]=4 13 B10R1.18 OC(=O)Cc1cccnc1 T1366 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.43 C(=O)([C@H](N)Cc1ccccc1)O T0689 [0,1,0,0,0,0|1,0,2]=4 15 B12R1.43 C/C(=C\c1ccccc1)[N+]([O-])=O T29310 [0,1,0,0,0,0|1,0,0]=2 16 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O TN1592 [0,1,0,0,0,0|1,0,2]=4 17 B12R1.43 OC(=O)C(=O)Cc1ccccc1 T5251 [0,1,0,0,0,0|1,0,1]=3 18 B12R1.43 OC(=O)C(=O)Nc1ccccc1 T33837 [0,1,0,0,0,0|2,0,0]=3 19 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [0,1,0,0,0,0|1,0,2]=4 20 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [0,1,0,0,0,0|1,0,2]=4 21 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [0,1,0,0,0,0|1,0,2]=4 22 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(O)=O T40376 [0,1,0,0,0,0|1,0,2]=4 23 B12R1.43 [O-]C(=O)C(=O)Cc1ccccc1 T4891 [0,1,0,0,0,0|1,0,1]=3 24 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N T3377 [0,1,0,0,0,0|1,0,2]=4 25 B12R2.18 O=C1Nc2ccccc2C1=O T6862 [0,0,0,1,0,0|2,0,0]=3 26 B12R2.24 Clc1ccc2ccccc2c1 T20317 [0,0,0,1,0,0|2,0,0]=3 27 B12R2.24 O=c1ccc2ccccc2o1 T0775 [0,0,0,1,0,0|3,0,0]=4 28 B12R2.24 Oc1ccc2ccccc2c1 T0671 [0,0,0,1,0,0|2,0,0]=3 29 B10R1.15 C=CC(=O)c1ccccc1 T20607 [0,0,0,0,1,0|2,0,0]=3 30 B10R1.15 CC(NN)c1ccccc1 T33268 [0,0,0,0,1,0|2,0,1]=4 31 B10R1.15 CNC(=O)c1ccccc1 T12150 [0,0,0,0,1,0|3,0,0]=4 32 B10R1.15 NNC(=S)c1ccccc1 T10513 [0,0,0,0,1,0|3,0,0]=4 33 B10R1.15 O=CC(=O)c1ccccc1 T38465 [0,0,0,0,1,0|1,0,0]=2 34 B10R1.15 OC(C=C)c1ccccc1 T50007 [0,0,0,0,1,0|2,0,1]=4 35 B12R1.27 COC(=O)/C=C/c1ccccc1 T5552 [0,0,0,0,0,1|3,0,0]=4 36 B12R1.27 COC(=O)C=Cc1ccccc1 TN6703 [0,0,0,0,0,1|3,0,0]=4 37 B9R0.2 C/C=C/C=C/C=C/C(O)=O T33059 [1,0,1,0,0,0|1,0,1]=4 38 B9R1.8 CCOc1ccccc1 T19753 [2,0,0,0,0,0|1,0,1]=4 39 B9R1.8 CNCc1ccccc1 T8016 [2,0,0,0,0,0|1,0,1]=4 40 B9R1.8 O/N=C/c1ccccc1 T20350 [2,0,0,0,0,0|1,0,1]=4 41 B9R1.8 O=CCc1ccccc1 TCS1857 [2,0,0,0,0,0|0,0,1]=3 42 B11R1.1 OCC=Cc1ccc(O)cc1 TN2028 [1,1,0,0,0,0|0,0,2]=4 43 B11R1.17 Oc1ccccc1/C=C/C=O TN2857 [1,1,0,0,0,0|0,0,0]=2 44 B11R1.17 Oc1ccccc1C=CC=O TN6938 [1,1,0,0,0,0|0,0,0]=2 45 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [1,1,0,0,0,0|0,0,0]=2 46 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [1,1,0,0,0,0|0,0,0]=2 47 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [1,1,0,0,0,0|0,0,2]=4 48 B11R1.91 CC(=O)COc1ccccc1 T25944 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.91 CC(=O)NCc1ccccc1 T5924 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.91 CC(=O)OCc1ccccc1 T5615 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.91 NC(=O)NCc1ccccc1 T21213 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.91 NC(=O)N[Hg]c1ccccc1 T28402 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T13669 [1,1,0,0,0,0|0,0,0]=2 54 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T20050 [1,1,0,0,0,0|0,0,0]=2 55 B11R1.91 OC(=O)/C=C/c1ccccc1 T2740 [1,1,0,0,0,0|0,0,0]=2 56 B11R1.91 OC(=O)CCc1ccccc1 T3731 [1,1,0,0,0,0|0,0,2]=4 57 B11R1.91 OC(C=Cc1ccccc1)=O T5646 [1,1,0,0,0,0|0,0,0]=2 58 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.20 NC(=O)Nc1ccc(Cl)cc1 T20454 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.20 OC(=O)Cc1ccc(O)cc1 T3743 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.36 CC(=O)C(=O)c1ccccc1 T7450 [1,1,0,0,0,0|0,0,0]=2 64 B11R1.36 CC(O)C(=O)c1ccccc1 T29353 [1,1,0,0,0,0|0,0,2]=4 65 B11R1.36 NC(C(O)=O)c1ccccc1 T13485 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.36 OC(=O)C(=C)c1ccccc1 T0629 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.36 OC(=O)C(=O)c1ccccc1 T8025 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.36 OC(=O)C(S)c1ccccc1 T26271 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.36 OC(C(O)=O)c1ccccc1 T33320 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.36 OC(C(O)=O)c1ccccc1 T4848 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.36 OC(C([O-])=O)c1ccccc1 T30005 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.36 O[C@@H](C(O)=O)c1ccccc1 T2S0122 [1,1,0,0,0,0|1,0,1]=4 73 B11R1.86 OC(=O)Cc1ccccc1O T5308 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.157 CC(=O)Nc1cccc(C)c1 T21117 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.157 CC(=O)Nc1cccc(O)c1 T0914 [1,1,0,0,0,0|1,0,0]=3 76 B11R1.157 CC(=O)Oc1cccc(O)c1 T0339 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.157 Cc1cccc(CC(O)=O)c1 T19409 [1,1,0,0,0,0|1,0,1]=4 78 B11R1.157 NC(=O)Nc1cccc(O)c1 T21201 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.157 OC(=O)Cc1cccc(O)c1 T4829 [1,1,0,0,0,0|1,0,1]=4 80 B11R1.12 NC/C(=C/Cl)c1ccccc1 T33265 [0,1,0,0,1,0|1,0,0]=3 81 B11R1.22 C/C(=N\O)c1ccc(O)cc1 T10143 [0,1,0,0,1,0|1,0,1]=4 82 B11R1.22 Oc1ccc(cc1)C(=O)C=O T32102 [0,1,0,0,1,0|1,0,0]=3 83 B11R1.23 CN(N=O)c1cccc(Cl)c1 T30065 [0,1,0,0,1,0|2,0,0]=4 84 B11R1.23 CN(N=O)c1cccc(F)c1 T30066 [0,1,0,0,1,0|2,0,0]=4 85 B13R1.133 OC(=O)C(=O)Cc1ccc(O)cc1 T4858 [0,2,0,0,0,0|1,0,1]=4 86 B13R1.418 O/N=C(/Cc1ccccc1)C(O)=O T24140 [0,2,0,0,0,0|1,0,1]=4 87 B11R1.13 Cc1cccc(CC=C)c1O T29470 [0,0,1,1,0,0|0,0,2]=4 88 B11R2.1 Cc1c[nH]c2ccccc12 T5281 [1,0,0,1,0,0|2,0,0]=4 89 B11R2.1 O=C1CCc2ccccc12 T0564 [1,0,0,1,0,0|0,0,2]=4 90 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [1,0,0,1,0,0|1,0,0]=3 91 B11R2.10 O=c1[nH]c2ccccc2[nH]1 T0662 [1,0,0,1,0,0|2,0,0]=4 92 B11R2.10 O=c1[nH]c2ccccc2o1 T5572 [1,0,0,1,0,0|2,0,0]=4 93 B13R2.32 O=C1C=Cc2ccccc2C1=O T20410 [0,0,0,1,0,1|1,0,0]=3 94 B13R2.328 O=c1[nH]c(=O)c2ccccc2o1 T0258 [0,1,0,1,0,0|2,0,0]=4 95 B13R2.328 Oc1cc2ccccc2c(O)c1 TD0092 [0,1,0,1,0,0|1,0,1]=4 96 B13R2.45 N/C=C1\Cc2ccccc2C1=O T31576 [0,1,0,1,0,0|1,0,0]=3 97 B13R2.3085 O=C1N(C)C(C2=C1C=CC=C2)=O T20314 [0,1,0,1,0,0|1,0,0]=3 98 B13R2.369 CN1Cc2ccccc2NC1=O T50006 [0,1,0,1,0,0|1,0,1]=4 99 B13R2.369 Cc1cc2ccccc2[nH]c1=O T50035 [0,1,0,1,0,0|0,0,0]=2 100 B13R2.369 Nc1cc2ccccc2cc1N T18881 [0,1,0,1,0,0|2,0,0]=4 101 B13R2.369 Nc1cc2ccccc2oc1=O TN1243 [0,1,0,1,0,0|1,0,0]=3 102 B13R2.369 O=c1[nH]c2ccccc2[nH]c1=O T20436 [0,1,0,1,0,0|2,0,0]=4 103 B13R2.369 Oc1cc2ccccc2oc1=O T8002 [0,1,0,1,0,0|1,0,0]=3 104 B13R2.3683 Cc1ccc2nc(C)ccc2c1 T37784 [0,1,0,1,0,0|2,0,0]=4 105 B13R2.3683 Cc1ccc2oc(=O)ccc2c1 T5647 [0,1,0,1,0,0|2,0,0]=4 106 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 T9432 [0,1,0,1,0,0|2,0,0]=4 107 B13R2.155 Cc1ccc2ccc(=O)oc2c1 T7934 [0,1,0,1,0,0|2,0,0]=4 108 B13R2.5179 Oc1cnc2c(O)cccc2c1 T32291 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,1,0|0,0,0]=2 110 B9R1.6 CC(=O)c1cnccn1 T5596 [1,0,0,0,1,0|2,0,0]=4 111 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,1,0|0,0,2]=4 112 B9R1.6 NC(=N)c1ccccc1 T8362 [1,0,0,0,1,0|2,0,0]=4 113 B9R1.6 NC(=O)c1ccccc1 T6780 [1,0,0,0,1,0|1,0,0]=3 114 B9R1.6 NC(=O)c1ccccn1 T6942 [1,0,0,0,1,0|2,0,0]=4 115 B9R1.6 NC(=O)c1cccnc1 T0934 [1,0,0,0,1,0|2,0,0]=4 116 B9R1.6 NC(=O)c1ccncc1 T0552 [1,0,0,0,1,0|2,0,0]=4 117 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [1,0,0,0,1,0|2,0,0]=4 118 B9R1.6 OC(=O)c1ccccc1 T0833 [1,0,0,0,1,0|1,0,0]=3 119 B9R1.6 OC(=O)c1ccccn1 T4850 [1,0,0,0,1,0|2,0,0]=4 120 B9R1.6 OC(=O)c1cccnc1 T0879 [1,0,0,0,1,0|2,0,0]=4 121 B9R1.6 OC(=O)c1ccncc1 Fr13756 [1,0,0,0,1,0|2,0,0]=4 122 B9R1.6 OP(=O)c1ccccc1 T20416 [1,0,0,0,1,0|2,0,0]=4 123 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [1,0,0,0,1,0|1,0,0]=3 124 B9R1.6 [O-]C(=O)c1ccccn1 T4575 [1,0,0,0,1,0|2,0,0]=4