0 B14R1.3 COC1=CC=C(CC(N)C(=O)O)C=C1 RT5135 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.3 N#CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 JZ1560 [0,0,0,0,0,0|4,0,0]=4 2 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 JZ1598 [0,0,0,0,0,0|4,0,0]=4 3 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 XJ6763 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.3 COC1=CC=C(CCC(=O)Cl)C=C1 LT2839 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 LT5795 [1,0,0,0,0,0|1,0,0]=2 6 B13R1.3 COC1=CC=C(COC(C)=O)C=C1 LL0360 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.3 COC1=CC=C(\C=C\C(=O)Cl)C=C1 LX3055 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 JZ4223 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 JZ4334 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.3 N#CC1=CC=C(NCC(=O)O)C=C1 RT12544 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.3 N#CC1=CC=C(NCC(=O)O)C=C1 YH18028 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.3 O=C(O)COC1=CC=C(CO)C=C1 LT7889 [1,0,0,0,0,0|2,0,0]=3 13 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O XJ2458 [1,0,0,0,0,0|1,0,0]=2 14 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 JZ1143 [1,0,0,0,0,0|2,0,0]=3 15 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 JZ1144 [1,0,0,0,0,0|2,0,0]=3 16 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O JZ4889 [1,0,0,0,0,0|3,0,0]=4 17 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O JZ1428 [1,0,0,0,0,0|2,0,0]=3 18 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 JZ1113 [1,0,0,0,0,0|3,0,0]=4 19 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 JZ1114 [1,0,0,0,0,0|3,0,0]=4 20 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 LL1013 [1,0,0,0,0,0|3,0,0]=4 21 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O JZ1118 [1,0,0,0,0,0|3,0,0]=4 22 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O HL3341 [1,0,0,0,0,0|3,0,0]=4 23 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O LT3001 [1,0,0,0,0,0|3,0,0]=4 24 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O LT2814 [1,0,0,0,0,0|3,0,0]=4 25 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O LT2990 [1,0,0,0,0,0|3,0,0]=4 26 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O JZ0530 [1,0,0,0,0,0|2,0,0]=3 27 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O JZ5126 [1,0,0,0,0,0|2,0,0]=3 28 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O RT1941 [1,0,0,0,0,0|2,0,0]=3 29 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)[O-] HL4416 [1,0,0,0,0,0|2,0,1]=4 30 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O JZ1117 [1,0,0,0,0,0|3,0,0]=4 31 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O HL3551 [1,0,0,0,0,0|3,0,0]=4 32 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O LT2989 [1,0,0,0,0,0|3,0,0]=4 33 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O JZ1127 [1,0,0,0,0,0|3,0,0]=4 34 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O XJ5941 [1,0,0,0,0,0|3,0,0]=4 35 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O JZ1450 [1,0,0,0,0,0|2,0,0]=3 36 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 YH48351 [1,0,0,0,0,0|2,0,0]=3 37 B13R1.133 [C@H](N)(CC1=CC=C(F)C=C1)C(=O)O HL3329 [1,0,0,0,0,0|3,0,0]=4 38 B15R1.6 COC1=CC=C(C(Br)C(Br)C(=O)O)C=C1 RT6386 [0,1,0,0,0,0|2,0,0]=3 39 B15R1.208 COC1=CC=C(\C=C(/C#N)C(=O)O)C=C1 LQ1823 [0,1,0,0,0,0|1,0,2]=4 40 B15R1.495 CC(=O)C1=CC=C(CC(Br)C(=O)O)C=C1 YH66076 [0,1,0,0,0,0|3,0,0]=4 41 B15R1.495 CC(=O)C1=CC=C(C[C@H](N)C(=O)O)C=C1 RT5117 [0,1,0,0,0,0|3,0,0]=4 42 B15R1.495 C[C@H](NC1=CC=C(C(=O)O)C=C1)C(=O)O CJ3063 [0,1,0,0,0,0|3,0,0]=4 43 B15R2.4834 COC1=CC=C2C=C(C(=O)O)NC2=C1 LQ3974 [0,0,0,1,0,0|2,0,1]=4 44 B15R2.4834 COC1=CC=C2N=C(C(=O)O)OC2=C1 RT10027 [0,0,0,1,0,0|2,0,1]=4 45 B15R2.4834 COC1=CC=C2NC(C(=O)O)=CC2=C1 JZ2507 [0,0,0,1,0,0|1,0,2]=4 46 B13R1.36 CC(C(=O)O)C1=CC=C(C=O)C=C1 RT10574 [0,0,0,0,1,0|2,0,0]=3 47 B13R1.36 CC(C(=O)O)C1=CC=C(CBr)C=C1 CJ2198 [0,0,0,0,1,0|2,0,0]=3 48 B13R1.36 CCC1=CC=C(C(C)C(=O)O)C=C1 RT10620 [0,0,0,0,1,0|1,0,0]=2 49 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 YH43840 [0,0,0,0,1,0|1,0,0]=2 50 B13R1.36 COC1=CC=C(C(O)C(=O)O)C=C1 LQ3443 [0,0,0,0,1,0|1,0,0]=2 51 B15R1.205 C=C(COC1=CC=C(OC)C=C1)C(=O)O RT11245 [0,0,0,0,0,1|0,0,2]=3 52 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 JZ4325 [2,0,0,0,0,0|0,0,0]=2 53 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 JZ2437 [2,0,0,0,0,0|0,1,0]=3 54 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 JZ1980 [2,0,0,0,0,0|2,0,0]=4 55 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 HL0948 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 RT6283 [2,0,0,0,0,0|1,0,0]=3 57 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 RT16522 [2,0,0,0,0,0|1,1,0]=4 58 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 LT7384 [2,0,0,0,0,0|1,0,0]=3 59 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 LQ1962 [2,0,0,0,0,0|1,0,0]=3 60 B12R1.21 O=C(O)\C=C/C1=CC=C(O)C=C1 RT11084 [2,0,0,0,0,0|1,0,1]=4 61 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 LT2333 [2,0,0,0,0,0|1,0,1]=4 62 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 XJ0856 [2,0,0,0,0,0|1,0,1]=4 63 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 LT2838 [2,0,0,0,0,0|1,0,1]=4 64 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 RT11360 [2,0,0,0,0,0|1,0,1]=4 65 B12R1.49 CC1=CC=C(CC(C)C=O)C=C1 XJ5434 [2,0,0,0,0,0|1,0,0]=3 66 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O HL0609 [2,0,0,0,0,0|1,0,0]=3 67 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl XJ0460 [2,0,0,0,0,0|1,0,0]=3 68 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O YH66331 [2,0,0,0,0,0|0,0,0]=2 69 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O LT4754 [2,0,0,0,0,0|2,0,0]=4 70 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 YH38554 [2,0,0,0,0,0|2,0,0]=4 71 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 JZ4215 [2,0,0,0,0,0|2,0,0]=4 72 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 YH65812 [2,0,0,0,0,0|2,0,0]=4 73 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 LQ3258 [2,0,0,0,0,0|2,0,0]=4 74 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=C1 YH31715 [1,1,0,0,0,0|1,0,0]=3 75 B14R1.5 COC1=CC=C(OCC(O)CN)C=C1 YH03610 [1,1,0,0,0,0|1,0,1]=4 76 B14R1.5 COC1=CC=C(OCC(O)CO)C=C1 LT7655 [1,1,0,0,0,0|0,0,2]=4 77 B14R1.142 CCOC1=CC=C(\C=C\C(=O)O)C=C1 LQ2160 [1,1,0,0,0,0|1,0,1]=4 78 B14R1.3653 COC1=CC=C(CCC(=O)O)C=C1O RT10887 [1,1,0,0,0,0|1,0,0]=3 79 B14R1.215 CCC1=CC=C(CC(C)(C)C=O)C=C1 LL1146 [1,1,0,0,0,0|2,0,0]=4 80 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 JZ0419 [1,1,0,0,0,0|2,0,0]=4 81 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 JZ1664 [1,1,0,0,0,0|2,0,0]=4 82 B14R1.134 [C@H](C)(OC1=CC=C(O)C=C1)C(=O)OC HL4974 [1,1,0,0,0,0|0,0,0]=2 83 B14R1.686 CC(CC1=CC=C(O)C(O)=C1)C(=O)O RT10732 [1,1,0,0,0,0|1,0,0]=3 84 B14R1.686 CC1=CC(C[C@H](N)C(=O)O)=CC=C1O RT5193 [1,1,0,0,0,0|2,0,0]=4 85 B14R1.686 N[C@@H](CC1=CC=C(O)C(F)=C1)C(=O)O JZ3133 [1,1,0,0,0,0|2,0,0]=4 86 B14R1.686 N[C@@H](CC1=CC=C(O)C(O)=C1)C(=O)O LL0046 [1,1,0,0,0,0|2,0,0]=4 87 B14R1.686 N[C@H](CC1=CC=C(O)C(F)=C1)C(=O)O YH11588 [1,1,0,0,0,0|2,0,0]=4 88 B14R1.686 O=C(O)[C@H](O)CC1=CC=C(O)C(O)=C1 HL4572 [1,1,0,0,0,0|2,0,0]=4 89 B14R1.6049 CC(OC1=CC=C(Cl)C=C1Cl)C(=O)O LL0471 [1,1,0,0,0,0|1,0,0]=3 90 B14R1.6049 CC1=C(OC(C)C(=O)O)C=CC(Cl)=C1 YH65570 [1,1,0,0,0,0|1,0,0]=3 91 B14R1.6049 CC1=CC(Cl)=CC=C1OC(C)C(=O)O RT6486 [1,1,0,0,0,0|1,0,0]=3 92 B14R1.7626 CC(C)(CC1=CC=C(S)C=C1)C(=O)O RT13185 [1,1,0,0,0,0|1,1,0]=4 93 B14R1.7626 CC(C)(OC1=CC=C(Cl)C=C1)C(=O)O LQ4441 [1,1,0,0,0,0|1,0,0]=3 94 B14R1.141 CCCC1=CC=C(C(C)C(=O)O)C=C1 RT12801 [0,1,0,0,1,0|1,0,0]=3 95 B14R1.213 CCC1=CC=C(C(C)(C)C(=O)O)C=C1 YH66332 [0,1,0,0,1,0|1,0,0]=3 96 B14R1.3652 COC1=C(O)C=C(C(O)C(=O)O)C=C1 RT11700 [0,1,0,0,1,0|1,0,0]=3 97 B14R1.6402 CC(C(=O)O)C1=CC=C(C(=O)O)C=C1 RT10581 [0,1,0,0,1,0|2,0,0]=4 98 B14R2.134 COC1=CC=C2CCC(=O)CC2=C1 LT3403 [1,0,0,1,0,0|2,0,0]=4 99 B16R2.3108 COC(=O)C1OC1C2=CC=C(OC)C=C2 CJ3284 [0,1,0,1,0,0|2,0,0]=4 100 B16R2.7526 COC1=CC2=C(C=C1)NC(C(=O)O)=C2C RT10670 [0,1,0,1,0,0|1,0,1]=4 101 B12R1.20 CC(C(=O)O)C1=CC=C(Cl)C=C1 JZ4316 [1,0,0,0,1,0|1,0,0]=3 102 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 JZ4317 [1,0,0,0,1,0|0,0,0]=2 103 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 LX2120 [1,0,0,0,1,0|1,0,0]=3 104 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 LQ4697 [1,0,0,0,1,0|1,0,0]=3 105 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 LQ3229 [1,0,0,0,1,0|2,0,0]=4 106 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 JZ0195 [1,0,0,0,1,0|1,0,0]=3 107 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 YH13184 [1,0,0,0,1,0|2,0,0]=4 108 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 RT5099 [1,0,0,0,1,0|2,0,0]=4 109 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 YH15246 [1,0,0,0,1,0|1,0,0]=3 110 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 JZ3059 [1,0,0,0,1,0|2,0,0]=4 111 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 LL0881 [1,0,0,0,1,0|2,0,0]=4 112 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 HL1770 [1,0,0,0,1,0|2,0,0]=4 113 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 JZ4498 [1,0,0,0,1,0|1,0,0]=3 114 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 RT11186 [1,0,0,0,1,0|1,0,0]=3 115 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 YH54312 [1,0,0,0,1,0|2,0,0]=4 116 B12R1.20 [C@@H](N)(C(=O)O)C1=CC=C(O)C=C1 YH54440 [1,0,0,0,1,0|1,0,0]=3 117 B14R1.4 O=C(O)CCOC1=CC=C(CO)C=C1 YH20892 [1,0,0,0,0,1|2,0,0]=4 118 B14R1.679 [C@H](N)(CCC1=CC=C(O)C=C1)C(=O)O RT5160 [1,0,0,0,0,1|2,0,0]=4 119 B14R1.75 COC1=CC(C[C@@H](N)C(=O)O)=CC=C1 YH35068 [0,0,0,0,1,1|2,0,0]=4 120 B14R1.75 COC1=CC(C[C@H](N)C(=O)O)=CC=C1 YH55393 [0,0,0,0,1,1|2,0,0]=4