0 B14R1.3 COC1=CC=C(CC(N)C(=O)O)C=C1 RT5135 [0,0,0,0,0,0|1,0,1]=2 1 B14R1.3 N#CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 JZ1560 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 JZ1598 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 XJ6763 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.3 COC1=CC=C(CCC(=O)Cl)C=C1 LT2839 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 LT5795 [1,0,0,0,0,0|0,0,1]=2 6 B13R1.3 COC1=CC=C(COC(C)=O)C=C1 LL0360 [1,0,0,0,0,0|2,0,0]=3 7 B13R1.3 COC1=CC=C(\C=C\C(=O)Cl)C=C1 LX3055 [1,0,0,0,0,0|1,0,1]=3 8 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 JZ4223 [1,0,0,0,0,0|0,0,1]=2 9 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 JZ4334 [1,0,0,0,0,0|0,0,1]=2 10 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 JZ1143 [1,0,0,0,0,0|1,0,1]=3 11 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 JZ1144 [1,0,0,0,0,0|1,0,1]=3 12 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O JZ4889 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O JZ1428 [1,0,0,0,0,0|1,0,1]=3 14 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 JZ1113 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 JZ1114 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 LL1013 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.133 NC1=CC=C(NC(=O)C(=O)O)C=C1 RT1503 [1,0,0,0,0,0|2,0,0]=3 18 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O JZ1118 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O HL3341 [1,0,0,0,0,0|2,0,1]=4 20 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O LT3001 [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 LT2814 [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 LT2990 [1,0,0,0,0,0|2,0,1]=4 23 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O JZ0530 [1,0,0,0,0,0|1,0,1]=3 24 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O JZ5126 [1,0,0,0,0,0|1,0,1]=3 25 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O RT1941 [1,0,0,0,0,0|1,0,1]=3 26 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)[O-] HL4416 [1,0,0,0,0,0|1,0,2]=4 27 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O JZ1117 [1,0,0,0,0,0|2,0,1]=4 28 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O HL3551 [1,0,0,0,0,0|2,0,1]=4 29 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O LT2989 [1,0,0,0,0,0|2,0,1]=4 30 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O JZ1127 [1,0,0,0,0,0|2,0,1]=4 31 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O XJ5941 [1,0,0,0,0,0|2,0,1]=4 32 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O JZ1450 [1,0,0,0,0,0|1,0,1]=3 33 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 YH48351 [1,0,0,0,0,0|0,0,2]=3 34 B13R1.133 O=C(O)\C(S)=C\C1=CC=C(I)C=C1 RT12989 [1,0,0,0,0,0|1,1,1]=4 35 B13R1.133 [C@H](N)(CC1=CC=C(F)C=C1)C(=O)O HL3329 [1,0,0,0,0,0|2,0,1]=4 36 B15R1.6 COC1=CC=C(C(Br)C(Br)C(=O)O)C=C1 RT6386 [0,1,0,0,0,0|1,0,1]=3 37 B15R1.16 CCOC1=CC=C(NC(=O)C(C)O)C=C1 RT10789 [0,1,0,0,0,0|2,0,1]=4 38 B15R1.208 COC1=CC=C(\C=C(/C#N)C(=O)O)C=C1 LQ1823 [0,1,0,0,0,0|1,0,1]=3 39 B15R1.495 CC(=O)C1=CC=C(CC(Br)C(=O)O)C=C1 YH66076 [0,1,0,0,0,0|2,0,1]=4 40 B15R1.495 CC(=O)C1=CC=C(C[C@H](N)C(=O)O)C=C1 RT5117 [0,1,0,0,0,0|2,0,1]=4 41 B15R1.495 O=C(O)C(=O)NC1=CC=C([N+](=O)[O-])C=C1 LL0350 [0,1,0,0,0,0|3,0,0]=4 42 B15R2.4834 COC1=CC=C2C=C(C(=O)O)NC2=C1 LQ3974 [0,0,0,1,0,0|1,0,1]=3 43 B15R2.4834 COC1=CC=C2N=C(C(=O)O)OC2=C1 RT10027 [0,0,0,1,0,0|1,0,1]=3 44 B15R2.4834 COC1=CC=C2NC(C(=O)O)=CC2=C1 JZ2507 [0,0,0,1,0,0|2,0,0]=3 45 B13R1.36 CCC1=CC=C(C(C)C(=O)O)C=C1 RT10620 [0,0,0,0,1,0|2,0,1]=4 46 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 YH43840 [0,0,0,0,1,0|1,0,1]=3 47 B13R1.36 COC1=CC=C(C(O)C(=O)O)C=C1 LQ3443 [0,0,0,0,1,0|0,0,2]=3 48 B15R1.204 COC1=CC=C(NC(=O)CC(C)=O)C=C1 HL2992 [0,0,0,0,0,1|2,0,0]=3 49 B15R1.205 C=C(COC1=CC=C(OC)C=C1)C(=O)O RT11245 [0,0,0,0,0,1|1,0,0]=2 50 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 JZ4325 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 JZ2437 [2,0,0,0,0,0|1,0,1]=4 52 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 JZ1980 [2,0,0,0,0,0|1,0,1]=4 53 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 HL0948 [2,0,0,0,0,0|1,0,1]=4 54 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 RT6283 [2,0,0,0,0,0|0,0,1]=3 55 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 RT16522 [2,0,0,0,0,0|0,1,1]=4 56 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 LT7384 [2,0,0,0,0,0|1,0,1]=4 57 B12R1.21 O=C(O)\C=C/C1=CC=C(O)C=C1 RT11084 [2,0,0,0,0,0|0,0,1]=3 58 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 XJ1623 [2,0,0,0,0,0|1,0,1]=4 59 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 RT6457 [2,0,0,0,0,0|1,0,1]=4 60 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 LT2333 [2,0,0,0,0,0|0,0,1]=3 61 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 XJ0856 [2,0,0,0,0,0|0,0,1]=3 62 B12R1.21 O=C(O)\C=C\C1=CC=C(S)C=C1 RT13144 [2,0,0,0,0,0|0,1,1]=4 63 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 LT2917 [2,0,0,0,0,0|1,0,0]=3 64 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 LL0352 [2,0,0,0,0,0|0,0,0]=2 65 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 LT2838 [2,0,0,0,0,0|0,0,1]=3 66 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 RT11360 [2,0,0,0,0,0|1,0,1]=4 67 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 XJ4261 [2,0,0,0,0,0|0,1,0]=3 68 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 LQ2904 [2,0,0,0,0,0|2,0,0]=4 69 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 YH27802 [2,0,0,0,0,0|2,0,0]=4 70 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 XJ3973 [2,0,0,0,0,0|2,0,0]=4 71 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 HL4494 [2,0,0,0,0,0|2,0,0]=4 72 B12R1.49 CC1=CC=C(CC(C)C=O)C=C1 XJ5434 [2,0,0,0,0,0|1,0,1]=4 73 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 JZ4903 [2,0,0,0,0,0|2,0,0]=4 74 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O JZ1061 [2,0,0,0,0,0|1,0,0]=3 75 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O XJ2931 [2,0,0,0,0,0|1,0,0]=3 76 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O HL0609 [2,0,0,0,0,0|1,0,1]=4 77 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O LT4754 [2,0,0,0,0,0|1,0,1]=4 78 B12R1.43 N\C(=C/C1=CC=CC=C1)C(=O)O RT5134 [2,0,0,0,0,0|1,0,1]=4 79 B12R1.43 O=C(O)C(=O)NC1=NC=CC=C1 RT4315 [2,0,0,0,0,0|2,0,0]=4 80 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 YH38554 [2,0,0,0,0,0|1,0,1]=4 81 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 JZ4215 [2,0,0,0,0,0|0,0,2]=4 82 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 YH65812 [2,0,0,0,0,0|1,0,1]=4 83 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 LQ3258 [2,0,0,0,0,0|0,0,2]=4 84 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 LQ0738 [2,0,0,0,0,0|1,0,1]=4 85 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=C1 YH31715 [1,1,0,0,0,0|0,0,1]=3 86 B14R1.142 CCOC1=CC=C(\C=C\C(=O)O)C=C1 LQ2160 [1,1,0,0,0,0|0,0,1]=3 87 B14R1.3653 COC1=CC=C(CCC(=O)O)C=C1O RT10887 [1,1,0,0,0,0|0,0,1]=3 88 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 JZ0419 [1,1,0,0,0,0|1,0,1]=4 89 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 JZ1664 [1,1,0,0,0,0|1,0,1]=4 90 B14R1.686 CC(CC1=CC=C(O)C(O)=C1)C(=O)O RT10732 [1,1,0,0,0,0|1,0,1]=4 91 B14R1.686 CC1=CC(C[C@H](N)C(=O)O)=CC=C1O RT5193 [1,1,0,0,0,0|1,0,1]=4 92 B14R1.686 N[C@@H](CC1=CC=C(O)C(F)=C1)C(=O)O JZ3133 [1,1,0,0,0,0|1,0,1]=4 93 B14R1.686 N[C@@H](CC1=CC=C(O)C(O)=C1)C(=O)O LL0046 [1,1,0,0,0,0|1,0,1]=4 94 B14R1.686 N[C@H](CC1=CC=C(O)C(F)=C1)C(=O)O YH11588 [1,1,0,0,0,0|1,0,1]=4 95 B14R1.686 O=C(O)C(=O)CC1=CC(O)=C(O)C=C1 YH24280 [1,1,0,0,0,0|0,0,0]=2 96 B14R1.686 O=C(O)[C@H](O)CC1=CC=C(O)C(O)=C1 HL4572 [1,1,0,0,0,0|0,0,2]=4 97 B14R1.3652 COC1=C(O)C=C(C(O)C(=O)O)C=C1 RT11700 [0,1,0,0,1,0|0,0,2]=4 98 B14R2.134 COC1=CC=C2CCC(=O)CC2=C1 LT3403 [1,0,0,1,0,0|1,0,1]=4 99 B14R2.2332 COC1=CC=C2CC(=O)CCC2=C1 HL2248 [1,0,0,1,0,0|1,0,1]=4 100 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 YH42095 [1,0,0,1,0,0|1,0,1]=4 101 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 LX3148 [1,0,0,1,0,0|1,0,1]=4 102 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2N1 LQ4251 [1,0,0,1,0,0|2,0,0]=4 103 B14R2.4529 O=C(O)C1=CC2=CC=C(O)C=C2S1 YH66429 [1,0,0,1,0,0|0,1,1]=4 104 B16R2.3108 COC(=O)C1OC1C2=CC=C(OC)C=C2 CJ3284 [0,1,0,1,0,0|0,0,2]=4 105 B16R2.7604 COC(=O)C1=CC2=CC=C(OC)C=C2N1 LX2495 [0,1,0,1,0,0|1,0,1]=4 106 B16R2.7486 COC1=CC2=CC=C(C(=O)O)C=C2C=C1 HL2247 [0,1,0,1,0,0|1,0,1]=4 107 B16R2.7526 COC1=CC2=C(C=C1)NC(C(=O)O)=C2C RT10670 [0,1,0,1,0,0|2,0,0]=4 108 B16R2.7609 COC1=C(Br)C2=C(C=C1)NC(C(=O)O)=C2 SY0061 [0,1,0,1,0,0|2,0,0]=4 109 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 LL0515 [1,0,0,0,1,0|1,0,1]=4 110 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 LT3323 [1,0,0,0,1,0|1,0,1]=4 111 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 LQ5042 [1,0,0,0,1,0|1,0,1]=4 112 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 XJ2446 [1,0,0,0,1,0|2,0,0]=4 113 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 LQ3474 [1,0,0,0,1,0|2,0,0]=4 114 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 JZ4317 [1,0,0,0,1,0|1,0,1]=4 115 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 LX2120 [1,0,0,0,1,0|1,0,1]=4 116 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 LQ4697 [1,0,0,0,1,0|0,0,2]=4 117 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 JZ0195 [1,0,0,0,1,0|1,0,1]=4 118 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 YH15246 [1,0,0,0,1,0|1,0,1]=4 119 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 YH66539 [1,0,0,0,1,0|1,0,0]=3 120 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 JZ4498 [1,0,0,0,1,0|0,0,2]=4 121 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 RT11186 [1,0,0,0,1,0|0,0,2]=4 122 B12R1.20 [C@@H](N)(C(=O)O)C1=CC=C(O)C=C1 YH54440 [1,0,0,0,1,0|1,0,1]=4 123 B14R1.679 [C@H](N)(CCC1=CC=C(O)C=C1)C(=O)O RT5160 [1,0,0,0,0,1|1,0,1]=4 124 B14R1.698 CC(=O)CC(=O)NC1=CC=C(C)C=C1 JZ2020 [1,0,0,0,0,1|2,0,0]=4 125 B14R1.75 COC1=CC(C[C@@H](N)C(=O)O)=CC=C1 YH35068 [0,0,0,0,1,1|1,0,1]=4 126 B14R1.75 COC1=CC(C[C@H](N)C(=O)O)=CC=C1 YH55393 [0,0,0,0,1,1|1,0,1]=4