0 B14R1.41 COC1=C(Cl)C=CC(C(N)C(C)O)=C1 N16310 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.41 COC1=C(Cl)C=CC([C@@H](N)C(C)=O)=C1 N16309 [0,0,0,0,0,0|3,0,0]=3 2 B14R1.41 COC1=C(Cl)C=CC([C@@H](N)[C@@H](C)O)=C1 N16311 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.41 COC1=C(Cl)C=CC([C@@H](N)[C@@H](C)O)=C1 N16313 [0,0,0,0,0,0|3,0,1]=4 4 B14R1.41 COC1=C(Cl)C=CC([C@@H](N)[C@H](C)O)=C1 N16312 [0,0,0,0,0,0|3,0,1]=4 5 B14R1.41 COC1=C(F)C=CC(C(N)C(C)O)=C1 N16304 [0,0,0,0,0,0|3,0,1]=4 6 B14R1.41 COC1=C(F)C=CC([C@@H](N)C(C)=O)=C1 N16303 [0,0,0,0,0,0|3,0,0]=3 7 B14R1.41 COC1=C(F)C=CC([C@@H](N)[C@@H](C)O)=C1 N16305 [0,0,0,0,0,0|3,0,1]=4 8 B14R1.41 COC1=C(F)C=CC([C@@H](N)[C@@H](C)O)=C1 N16307 [0,0,0,0,0,0|3,0,1]=4 9 B14R1.41 COC1=C(F)C=CC([C@@H](N)[C@H](C)O)=C1 N16306 [0,0,0,0,0,0|3,0,1]=4 10 B14R1.41 COC1=C(O)C=CC([C@@H](N)C(=O)O)=C1 N12457 [0,0,0,0,0,0|1,0,0]=1 11 B14R1.41 COC1=C(O)C=CC([C@@H](N)C(=O)O)=C1 N14806 [0,0,0,0,0,0|1,0,0]=1 12 B14R1.41 COC1=C(O)C=CC([C@@H](N)C(=O)O)=C1 N14807 [0,0,0,0,0,0|1,0,0]=1 13 B13R1.52 COC1=C(Br)C=CC(CC(=O)O)=C1 98291 [1,0,0,0,0,0|1,0,0]=2 14 B13R1.52 COC1=C(Cl)C=CC(CC(=O)O)=C1 AT23094 [1,0,0,0,0,0|1,0,0]=2 15 B13R1.510 CC(=O)[C@H](N)C1=CC(C)=C(C)C=C1 N15990 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.510 CC(=O)[C@H](N)C1=CC(C)=C(Cl)C=C1 N16203 [1,0,0,0,0,0|3,0,0]=4 17 B13R1.510 CC(=O)[C@H](N)C1=CC(C)=C(F)C=C1 N16250 [1,0,0,0,0,0|3,0,0]=4 18 B13R1.510 CC1=C(C)C=C([C@@H](N)C(=O)O)C=C1 AC3237 [1,0,0,0,0,0|2,0,0]=3 19 B13R1.510 CC1=C(Cl)C=CC([C@@H](N)C(=O)O)=C1 N12991 [1,0,0,0,0,0|2,0,0]=3 20 B13R1.510 CC1=C(F)C=CC([C@@H](N)C(=O)O)=C1 N12257 [1,0,0,0,0,0|2,0,0]=3 21 B13R1.510 CC1=C(O)C=C([C@@H](N)C(=O)O)C=C1 N14773 [1,0,0,0,0,0|2,0,0]=3 22 B13R1.510 CC1=C(O)C=CC([C@@H](N)C(=O)O)=C1 N14777 [1,0,0,0,0,0|1,0,0]=2 23 B13R1.510 C[C@@H](C(=O)O)C1=CC(F)=C(N)C=C1 96992 [1,0,0,0,0,0|3,0,0]=4 24 B13R1.510 N[C@@H](C(=O)O)C1=CC(Br)=C(F)C=C1 N13174 [1,0,0,0,0,0|3,0,0]=4 25 B13R1.510 N[C@@H](C(=O)O)C1=CC(Br)=C(O)C=C1 N14757 [1,0,0,0,0,0|2,0,0]=3 26 B13R1.510 N[C@@H](C(=O)O)C1=CC(Br)=C(O)C=C1 N14759 [1,0,0,0,0,0|2,0,0]=3 27 B13R1.510 N[C@@H](C(=O)O)C1=CC(Cl)=C(Cl)C=C1 50740 [1,0,0,0,0,0|3,0,0]=4 28 B13R1.510 N[C@@H](C(=O)O)C1=CC(Cl)=C(F)C=C1 N15900 [1,0,0,0,0,0|3,0,0]=4 29 B13R1.510 N[C@@H](C(=O)O)C1=CC(Cl)=C(O)C=C1 N14743 [1,0,0,0,0,0|2,0,0]=3 30 B13R1.510 N[C@@H](C(=O)O)C1=CC(Cl)=C(O)C=C1 N14744 [1,0,0,0,0,0|2,0,0]=3 31 B13R1.510 N[C@@H](C(=O)O)C1=CC(Cl)=C(O)C=C1 N14745 [1,0,0,0,0,0|2,0,0]=3 32 B13R1.510 N[C@@H](C(=O)O)C1=CC(F)=C(Cl)C=C1 96787 [1,0,0,0,0,0|3,0,0]=4 33 B13R1.510 N[C@@H](C(=O)O)C1=CC(F)=C(F)C=C1 N10860 [1,0,0,0,0,0|3,0,0]=4 34 B13R1.510 N[C@@H](C(=O)O)C1=CC(F)=C(F)C=C1 N10924 [1,0,0,0,0,0|3,0,0]=4 35 B13R1.510 N[C@@H](C(=O)O)C1=CC(F)=C(F)C=C1 N10982 [1,0,0,0,0,0|3,0,0]=4 36 B13R1.642 COC1=CC(C(N)C(C)O)=CC=C1 N15596 [1,0,0,0,0,0|2,0,1]=4 37 B13R1.642 COC1=CC([C@@H](N)C(C)O)=CC=C1 N15597 [1,0,0,0,0,0|2,0,1]=4 38 B13R1.642 COC1=CC([C@@H](N)[C@@H](C)O)=CC=C1 N15599 [1,0,0,0,0,0|2,0,1]=4 39 B13R1.642 COC1=CC([C@@H](N)[C@@H](C)O)=CC=C1 N15600 [1,0,0,0,0,0|2,0,1]=4 40 B13R1.642 COC1=CC([C@@H](N)[C@H](C)O)=CC=C1 N15598 [1,0,0,0,0,0|2,0,1]=4 41 B13R1.642 COC1=CC=CC([C@@H](F)C(=O)O)=C1 98552 [1,0,0,0,0,0|1,0,0]=2 42 B13R1.642 COC1=CC=CC([C@@H](N)C(C)=O)=C1 N15595 [1,0,0,0,0,0|2,0,0]=3 43 B13R1.642 CSC1=CC([C@@H](N)C(C)=O)=CC=C1 N15602 [1,0,0,0,0,0|2,1,0]=4 44 B15R1.12853 COC1=C(OC)C=C(C(N)C(C)O)C=C1 N15881 [0,1,0,0,0,0|2,0,1]=4 45 B15R1.12853 COC1=C(OC)C=C([C@@H](N)C(C)=O)C=C1 N15880 [0,1,0,0,0,0|2,0,0]=3 46 B15R1.12853 COC1=C(OC)C=C([C@@H](N)[C@@H](C)O)C=C1 N15883 [0,1,0,0,0,0|2,0,1]=4 47 B15R1.12853 COC1=C(OC)C=C([C@@H](N)[C@@H](C)O)C=C1 N15885 [0,1,0,0,0,0|2,0,1]=4 48 B15R1.12853 COC1=C(OC)C=C([C@@H](N)[C@H](C)O)C=C1 N15882 [0,1,0,0,0,0|2,0,1]=4 49 B15R2.4239 N[C@@H](C(=O)O)C1=CC2=C(C=C1)OCO2 26225 [0,0,0,1,0,0|1,0,0]=2 50 B15R1.4038 COC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 N14844 [0,0,0,0,0,1|1,0,0]=2 51 B15R1.4038 COC1=C(O)C=CC(C[C@H](O)C(=O)[O-])=C1 T72929 [0,0,0,0,0,1|0,0,1]=2 52 B12R1.56 CCC1=C(O)C=CC(B(O)O)=C1 N11749 [2,0,0,0,0,0|2,0,0]=4 53 B12R1.56 COC1=C(Br)C=CC(B(O)O)=C1 N12676 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.56 COC1=C(O)C=CC([C@H](C)N)=C1 N14804 [2,0,0,0,0,0|1,0,1]=4 55 B12R1.56 COC1=C(O)C=CC([C@H](C)N)=C1 N14805 [2,0,0,0,0,0|1,0,1]=4 56 B12R1.286 CCCC1=CC(OC)=C(O)C=C1 C15472 [2,0,0,0,0,0|1,0,1]=4 57 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 D97793 [2,0,0,0,0,0|1,0,1]=4 58 B12R1.435 C=C[C@H](N)C1=CC=CC(OC)=C1 N15286 [2,0,0,0,0,0|2,0,0]=4 59 B12R1.435 C=C[C@H](N)C1=CC=CC(OC)=C1 N15287 [2,0,0,0,0,0|2,0,0]=4 60 B12R1.435 C=C[C@H](N)C1=CC=CC(OC)=C1 N15288 [2,0,0,0,0,0|2,0,0]=4 61 B12R1.435 CC[C@H](O)C1=CC=CC(OC)=C1 N12603 [2,0,0,0,0,0|1,0,1]=4 62 B12R1.435 COC1=CC([C@@H](O)CN)=CC=C1 C78115 [2,0,0,0,0,0|1,0,1]=4 63 B12R1.19 CC1=C(Cl)C=CC(CC(=O)O)=C1 D96291 [2,0,0,0,0,0|1,0,0]=3 64 B12R1.19 CC1=CC(CC(=O)O)=CN=C1Cl 97211 [2,0,0,0,0,0|2,0,0]=4 65 B12R1.438 COC1=CC(CC(=N)N)=CC=C1 F13308 [2,0,0,0,0,0|2,0,0]=4 66 B12R1.438 COC1=NC=CC(CC(=O)O)=C1 AT18202 [2,0,0,0,0,0|1,0,0]=3 67 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 Y11713 [2,0,0,0,0,0|2,0,0]=4 68 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(N)C=C1 AC1408 [2,0,0,0,0,0|2,0,0]=4 69 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 N10974 [2,0,0,0,0,0|2,0,0]=4 70 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 AC7645 [2,0,0,0,0,0|2,0,0]=4 71 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Br)C=C1 98573 [2,0,0,0,0,0|2,0,0]=4 72 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Cl)C=C1 98571 [2,0,0,0,0,0|2,0,0]=4 73 B12R1.20 O=C(O)[C@H](F)C1=CC=C(F)C=C1 98569 [2,0,0,0,0,0|2,0,0]=4 74 B12R1.225 CC1=CC=CC([C@@H](F)C(=O)O)=C1 98550 [2,0,0,0,0,0|1,0,0]=3 75 B12R1.225 CC1=CC=CC([C@@H](N)C(=O)O)=C1 N12267 [2,0,0,0,0,0|1,0,0]=3 76 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 N10973 [2,0,0,0,0,0|2,0,0]=4 77 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 AC3213 [2,0,0,0,0,0|2,0,0]=4 78 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 AC7657 [2,0,0,0,0,0|2,0,0]=4 79 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 Y11689 [2,0,0,0,0,0|2,0,0]=4 80 B12R1.225 O=C(O)[C@H](F)C1=CC=CC(Br)=C1 98544 [2,0,0,0,0,0|2,0,0]=4 81 B12R1.225 O=C(O)[C@H](F)C1=CC=CC(F)=C1 98545 [2,0,0,0,0,0|2,0,0]=4 82 B12R1.225 O=C(O)[C@H](O)C1=CC(O)=CC=C1 A12143 [2,0,0,0,0,0|0,0,0]=2 83 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(I)=C1 C90764 [2,0,0,0,0,0|1,0,0]=3 84 B14R1.1864 C#C[C@@H](O)C1=CC(OC)=C(OC)C=C1 AC6640 [1,1,0,0,0,0|1,0,1]=4 85 B14R1.3651 COC1=C(OC)C=C(CC(=N)N)C=C1 C11849 [1,1,0,0,0,0|2,0,0]=4 86 B14R1.3651 COC1=C(OC)C=C(CC(N)=O)C=C1 61355 [1,1,0,0,0,0|1,0,0]=3 87 B14R1.699 CC1=C(F)C=CC(C(F)(F)C(=O)O)=C1 AC3368 [1,1,0,0,0,0|2,0,0]=4 88 B14R1.1003 COC(=O)[C@H](N)C1=CC(Br)=C(O)C=C1 N14760 [1,1,0,0,0,0|2,0,0]=4 89 B14R1.1003 COC(=O)[C@H](N)C1=CC(C)=C(C)C=C1 N13037 [1,1,0,0,0,0|2,0,0]=4 90 B14R1.1003 COC(=O)[C@H](N)C1=CC(C)=C(F)C=C1 N15921 [1,1,0,0,0,0|2,0,0]=4 91 B14R1.3652 COC1=C(Br)C=C([C@@H](N)C(=O)O)C=C1 N11044 [1,1,0,0,0,0|2,0,0]=4 92 B14R1.3652 COC1=C(Cl)C=C([C@@H](N)C(=O)O)C=C1 N12771 [1,1,0,0,0,0|2,0,0]=4 93 B14R1.3652 COC1=C(Cl)C=C([C@@H](N)C(=O)O)C=C1 N16056 [1,1,0,0,0,0|2,0,0]=4 94 B14R1.382 COC1=CC([C@@H](N)C(C)=O)=CC(Br)=C1 N15904 [1,1,0,0,0,0|2,0,0]=4 95 B14R1.382 COC1=CC([C@@H](N)C(C)=O)=CC(Cl)=C1 N16064 [1,1,0,0,0,0|2,0,0]=4 96 B14R1.382 COC1=CC([C@@H](N)C(C)=O)=CC(F)=C1 N15905 [1,1,0,0,0,0|2,0,0]=4 97 B14R1.2340 COC1=CC([C@@H](N)C(=O)O)=C(Br)C=C1 N12772 [1,1,0,0,0,0|1,0,0]=3 98 B14R1.3326 CCOC1=CC=CC([C@@H](N)C(=O)O)=C1 N12237 [1,1,0,0,0,0|1,0,0]=3 99 B14R1.6420 CC(C)C1=CC=CC([C@@H](N)C(=O)O)=C1 N14890 [1,1,0,0,0,0|2,0,0]=4 100 B14R1.6420 CC(C)C1=CC=CC([C@@H](N)C(=O)O)=C1 N14891 [1,1,0,0,0,0|2,0,0]=4 101 B16R1.4274 COC1=C(OC)C=C(C[C@H](C)C(=O)O)C=C1 D71903 [0,1,0,0,0,1|1,0,0]=3 102 B16R1.4730 COC(=O)[C@@H](N)CC1=CC(OC)=C(O)C=C1 N12856 [0,1,0,0,0,1|1,0,0]=3 103 B16R1.4730 COC(=O)[C@@H](N)CC1=CC(OC)=C(O)C=C1 N14845 [0,1,0,0,0,1|1,0,0]=3 104 B16R1.4730 COC(=O)[C@@H](N)CC1=CC(OC)=C(O)C=C1 N14846 [0,1,0,0,0,1|1,0,0]=3 105 B16R1.4763 COC1=C(O)C=CC(C[C@H](C#N)C(=O)O)=C1 F18669 [0,1,0,0,0,1|1,0,0]=3 106 B16R1.4278 COC(=O)[C@H](N)C1=CC(OC)=C(OC)C=C1 AC5070 [0,2,0,0,0,0|1,0,0]=3 107 B16R1.4278 COC(=O)[C@H](N)C1=CC(OC)=C(OC)C=C1 AC6053 [0,2,0,0,0,0|1,0,0]=3 108 B16R1.25085 COC1=C(OC)C=C(C(C)(C)C(=O)O)C=C1 54286 [0,2,0,0,0,0|1,0,0]=3 109 B16R1.25085 COC1=C(OC)C=C(C(C)(C)C(C)=O)C=C1 58403 [0,2,0,0,0,0|2,0,0]=4 110 B16R1.25085 [2H]C([2H])(C(=O)O)C1=CC(OC)=C(OC)C=C1 D98122 [0,2,0,0,0,0|1,0,0]=3 111 B14R2.1008 C[C@H](O)CC1=CC2=C(C=C1)OCO2 W16411 [1,0,0,1,0,0|1,0,1]=4 112 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)CCC2 W10203 [1,0,0,1,0,0|2,0,0]=4 113 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)CCO2 C14900 [1,0,0,1,0,0|1,0,0]=3 114 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)ON=C2 F30266 [1,0,0,1,0,0|2,0,0]=4 115 B14R2.1197 COC1=CC2=C(C=C1C)NC(=O)C2 85914 [1,0,0,1,0,0|2,0,0]=4 116 B16R2.54858 COC1=C(C)C=CC(C2(C(=O)O)CC2)=C1 AC7298 [0,1,0,1,0,0|2,0,0]=4 117 B14R1.42 COC1=C(C)C=CC(CCC(=O)O)=C1 F52915 [1,0,0,0,0,1|1,0,0]=3 118 B14R1.685 CC1=C(O)C=C([C@@H](N)CC(=O)O)C=C1 N14774 [1,0,0,0,0,1|2,0,0]=4 119 B14R1.685 CC1=C(O)C=C([C@@H](N)CC(=O)O)C=C1 N14775 [1,0,0,0,0,1|2,0,0]=4 120 B14R1.685 CC1=C(O)C=CC([C@@H](N)CC(=O)O)=C1 N14778 [1,0,0,0,0,1|1,0,0]=3 121 B14R1.685 CC1=C(O)C=CC([C@@H](N)CC(=O)O)=C1 N14779 [1,0,0,0,0,1|1,0,0]=3 122 B14R1.685 CC1=C(O)C=CC([C@@H](N)CC(=O)O)=C1 N14780 [1,0,0,0,0,1|1,0,0]=3 123 B14R1.685 N[C@@H](CC(=O)O)C1=CC(Br)=C(O)C=C1 AT26873 [1,0,0,0,0,1|2,0,0]=4 124 B14R1.685 N[C@@H](CC(=O)O)C1=CC(F)=C(O)C=C1 F16867 [1,0,0,0,0,1|2,0,0]=4 125 B14R1.685 N[C@@H](CC(=O)O)C1=CC(O)=C(Cl)C=C1 N14741 [1,0,0,0,0,1|2,0,0]=4 126 B14R1.685 N[C@@H](CC(=O)O)C1=CC(O)=C(Cl)C=C1 N14742 [1,0,0,0,0,1|2,0,0]=4 127 B14R1.685 N[C@@H](CC(=O)O)C1=CC(O)=C(F)C=C1 N14735 [1,0,0,0,0,1|2,0,0]=4 128 B14R1.685 N[C@@H](CC(=O)O)C1=CC(O)=C(F)C=C1 N14736 [1,0,0,0,0,1|2,0,0]=4