0 B14R1.3 COC1=CC=C(NC(=S)C(N)=O)C=C1 AC-11093 [0,0,0,0,0,0|2,1,0]=3 1 B14R1.3 COC1=CC=C(OC(C)C(=O)[O-])C=C1 AC-77369 [0,0,0,0,0,0|2,0,2]=4 2 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 AC-13894 [1,0,0,0,0,0|0,0,1]=2 3 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 AC-30422 [1,0,0,0,0,0|1,0,1]=3 4 B13R1.3 COC1=CC=C(CC[N+](=O)[O-])C=C1 AC-95841 [1,0,0,0,0,0|1,0,2]=4 5 B13R1.3 COC1=CC=C(COC(C)=O)C=C1 AC-86743 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 AC-55255 [1,0,0,0,0,0|0,0,1]=2 7 B13R1.3 CSC1=CC=C(\C=C\C(=O)O)C=C1 AC-94101 [1,0,0,0,0,0|0,1,1]=3 8 B13R1.3 N#CC1=CC=C(CCC(=O)O)C=C1 AC-27162 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.3 N#CC1=CC=C(\C=C\C(=O)O)C=C1 AC-86702 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.5 COC1=CC=C(CC(N)CO)C=C1 AC-91553 [1,0,0,0,0,0|1,0,2]=4 11 B13R1.133 CC(CC1=CC=C(Br)C=C1)C(=O)O AC-76053 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.133 C\C(=C/C1=CC=C(F)C=C1)C(=O)O AC-96497 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O AC-94496 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O AC-21529 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 AC-91824 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O AC-12690 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O AC-25404 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O AC-26475 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O AC-12691 [1,0,0,0,0,0|2,0,1]=4 20 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O AC-29622 [1,0,0,0,0,0|2,0,1]=4 21 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O AC-79490 [1,0,0,0,0,0|2,0,1]=4 22 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O AC-12686 [1,0,0,0,0,0|2,0,1]=4 23 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O AC-12695 [1,0,0,0,0,0|2,0,1]=4 24 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O AC-12694 [1,0,0,0,0,0|2,0,1]=4 25 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O AC-12697 [1,0,0,0,0,0|2,0,1]=4 26 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O AC-62333 [1,0,0,0,0,0|1,0,1]=3 27 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 AC-59058 [1,0,0,0,0,0|0,0,0]=1 28 B15R1.495 CC(=O)C1=CC=C(CC(N)C(=O)O)C=C1 AC-92620 [0,1,0,0,0,0|2,0,1]=4 29 B15R2.4834 CCC1=CC=C2CC(C(=O)O)OC2=C1 AC-96131 [0,0,0,1,0,0|1,0,2]=4 30 B15R2.4834 COC1=CC2=C(C=N1)NC(C(=O)O)=C2 AC-90624 [0,0,0,1,0,0|3,0,0]=4 31 B15R2.4834 COC1=CC=C2NC(C(=O)O)=CC2=N1 AC-87586 [0,0,0,1,0,0|3,0,0]=4 32 B15R2.4834 COC1=CC=C2OC(C(=O)O)=CC2=C1 AC-26586 [0,0,0,1,0,0|2,0,0]=3 33 B15R2.21336 COC1=CC2=C(C=C1)C=C(N)C(=O)O2 AC-88197 [0,0,0,1,0,0|1,0,1]=3 34 B13R1.36 COC1=CC=C(C(=O)C(C)C)C=C1 AC-88898 [0,0,0,0,1,0|2,0,1]=4 35 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 AC-81880 [0,0,0,0,1,0|1,0,1]=3 36 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 AC-92795 [0,0,0,0,1,0|1,0,1]=3 37 B13R1.36 COC1=CC=C([C@@H](N)C(N)=O)C=C1 AC-38882 [0,0,0,0,1,0|2,0,1]=4 38 B13R1.36 COC1=CC=C([C@H](O)C(=O)O)C=C1 AC-30270 [0,0,0,0,1,0|0,0,2]=3 39 B15R1.204 COC1=CC=C(NC(=O)CC(C)=O)C=C1 AC-17101 [0,0,0,0,0,1|2,0,0]=3 40 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 AC-62175 [2,0,0,0,0,0|1,0,1]=4 41 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AC-18562 [2,0,0,0,0,0|1,0,1]=4 42 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AC-14340 [2,0,0,0,0,0|1,0,1]=4 43 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 AC-11965 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 AC-29981 [2,0,0,0,0,0|1,0,1]=4 45 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 AC-14246 [2,0,0,0,0,0|0,0,1]=3 46 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 AC-65427 [2,0,0,0,0,0|1,0,1]=4 47 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 AC-65428 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 AC-14338 [2,0,0,0,0,0|1,0,1]=4 49 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 AC-76803 [2,0,0,0,0,0|1,0,1]=4 50 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 AC-13909 [2,0,0,0,0,0|0,0,1]=3 51 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 AC-14539 [2,0,0,0,0,0|0,0,1]=3 52 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 AC-76044 [2,0,0,0,0,0|2,0,0]=4 53 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 AC-81320 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.49 C=CC(=O)CC1=CC=C(F)C=C1 AC-96279 [2,0,0,0,0,0|2,0,0]=4 55 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 AC-14352 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O AC-14523 [2,0,0,0,0,0|1,0,0]=3 57 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O AC-23950 [2,0,0,0,0,0|1,0,1]=4 58 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O AC-89007 [2,0,0,0,0,0|1,0,1]=4 59 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O AC-10595 [2,0,0,0,0,0|1,0,1]=4 60 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 AC-93737 [2,0,0,0,0,0|1,0,1]=4 61 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 AC-67256 [2,0,0,0,0,0|0,0,2]=4 62 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AC-12701 [2,0,0,0,0,0|0,0,2]=4 63 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 AC-12702 [2,0,0,0,0,0|0,0,2]=4 64 B14R1.2 COC1=CC=C(C(N)CC(=O)O)C=C1 AC-24607 [1,1,0,0,0,0|0,0,1]=3 65 B14R1.5 COC(=O)CCC1=CC=C(OC)C=C1 AC-31144 [1,1,0,0,0,0|0,0,1]=3 66 B14R1.142 CCOC1=CC=C(CCC(=O)O)C=C1 AC-81253 [1,1,0,0,0,0|0,0,1]=3 67 B14R1.954 CCOC(=O)CC1=CC=C(OC)C=C1 AC-88078 [1,1,0,0,0,0|1,0,1]=4 68 B14R1.954 CCOC(=O)CC1=CC=C(OC)C=C1 AC-88081 [1,1,0,0,0,0|1,0,1]=4 69 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(O)C=C1 AC-77105 [1,1,0,0,0,0|1,0,1]=4 70 B14R1.686 NC(CC1=CC=C(O)C(I)=C1)C(=O)O AC-89976 [1,1,0,0,0,0|1,0,1]=4 71 B14R1.6049 CC1=CC=C(CC(N)C(=O)O)C(F)=C1 AC-92828 [1,1,0,0,0,0|1,0,1]=4 72 B14R1.6049 NC(CC1=CC=C(O)C=C1Br)C(=O)O AC-82307 [1,1,0,0,0,0|1,0,1]=4 73 B14R1.7626 CC(N)(CC1=CC=C(O)C=C1)C(=O)O AC-32014 [1,1,0,0,0,0|1,0,1]=4 74 B16R1.197 COC(=O)C(=O)\C=C\C1=CC=C(OC)C=C1 AC-95528 [0,1,0,0,0,1|0,0,1]=3 75 B16R1.4274 COC1=CC=C(C[C@H](N)C(=O)O)C=C1OC AC-23355 [0,2,0,0,0,0|1,0,1]=4 76 B14R2.134 COC1=CC2=CC(O)=CC=C2C=C1 AC-22099 [1,0,0,1,0,0|1,0,1]=4 77 B14R2.2332 COC1=CC2=C(C=C1)CC(=O)CC2 AC-11264 [1,0,0,1,0,0|1,0,1]=4 78 B14R2.2332 COC1=CC=C2NC(=O)COC2=C1 AC-96326 [1,0,0,1,0,0|1,0,1]=4 79 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 AC-31073 [1,0,0,1,0,0|1,0,1]=4 80 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 AC-39599 [1,0,0,1,0,0|1,0,1]=4 81 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 AC-31077 [1,0,0,1,0,0|2,0,0]=4 82 B14R2.4529 CC1=CC=C2SC(C(=O)O)=CC2=C1 AC-95095 [1,0,0,1,0,0|2,0,0]=4 83 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 AC-11259 [1,0,0,1,0,0|2,0,0]=4 84 B14R2.8239 CC1=CC2=C(C=C1)NC(=O)C(O)=C2 AC-90196 [1,0,0,1,0,0|2,0,0]=4 85 B16R2.7476 COC1=CC2=C(C=C1)CNC(C(=O)O)C2 AC-84419 [0,0,0,1,0,1|1,0,1]=4 86 B16R2.7476 COC1=CC2=C(C=C1)OCC(C(=O)O)C2 AC-57753 [0,0,0,1,0,1|1,0,1]=4 87 B16R2.7604 COC(=O)C1=CC2=C(C=C(OC)C=C2)N1 AC-31128 [0,1,0,1,0,0|1,0,1]=4 88 B16R2.7604 COC(=O)C1=CC2=CC(OC)=CC=C2S1 AC-90625 [0,1,0,1,0,0|2,0,0]=4 89 B16R2.7604 COC(=O)C1=CC2=CC=C(OC)C=C2S1 AC-84628 [0,1,0,1,0,0|0,1,1]=4 90 B16R2.7486 COC1=CC2=CC=C(C(=O)O)C=C2C=C1 AC-58773 [0,1,0,1,0,0|1,0,1]=4 91 B16R2.7526 COC1=CC=C2OC(C(=O)O)=C(Br)C2=C1 AC-94515 [0,1,0,1,0,0|2,0,0]=4 92 B16R2.7526 COC1=CC=C2OC(C(=O)O)=C(C)C2=C1 AC-87913 [0,1,0,1,0,0|2,0,0]=4 93 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 AC-89735 [1,0,0,0,1,0|2,0,0]=4 94 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 AC-38623 [1,0,0,0,1,0|2,0,0]=4 95 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 AC-61876 [1,0,0,0,1,0|0,0,0]=2 96 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 AC-64939 [1,0,0,0,1,0|1,0,1]=4 97 B12R1.5 COC1=CC=C(C(=O)CO)C=C1 AC-68437 [1,0,0,0,1,0|0,0,1]=3 98 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 AC-64976 [1,0,0,0,1,0|2,0,0]=4 99 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 AC-29628 [1,0,0,0,1,0|1,0,0]=3 100 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 AC-77028 [1,0,0,0,1,0|1,0,0]=3 101 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 AC-88562 [1,0,0,0,1,0|1,0,0]=3 102 B14R1.4 CCC1=CC=C(CCCC(=O)O)C=C1 AC-84475 [1,0,0,0,0,1|1,0,1]=4 103 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 AC-10430 [1,0,0,0,0,1|0,0,1]=3 104 B14R1.4 COC1=CC=C(CNCC(=O)O)C=C1 AC-91023 [1,0,0,0,0,1|0,0,1]=3 105 B14R1.4 COC1=CC=C(COCC(=O)O)C=C1 AC-30169 [1,0,0,0,0,1|0,0,1]=3 106 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 AC-38541 [1,0,0,0,0,1|0,0,1]=3 107 B14R1.698 CC(=O)CC(=O)NC1=CC=C(C)C=C1 AC-31345 [1,0,0,0,0,1|2,0,0]=4 108 B14R1.75 COC1=CC(C[C@@H](N)C(=O)O)=CC=C1 AC-77171 [0,0,0,0,1,1|1,0,1]=4 109 B14R1.75 COC1=CC(C[C@H](N)C(=O)O)=CC=C1 AC-80159 [0,0,0,0,1,1|1,0,1]=4