0 B14R1.160 CC(=O)ONC(=O)C1=CC=CC=C1O RT10678 [0,0,0,0,0,0|3,0,0]=3 1 B14R1.160 CC(=O)O\N=C(/C)C1=CC=CC=C1O RT6304 [0,0,0,0,0,0|4,0,0]=4 2 B14R1.160 CC(C)COC(=O)C1=CC=CC=C1O LQ0199 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.160 CC1=CC=CC=C1C(=O)NCC(=O)O RT11596 [0,0,0,0,0,0|2,0,0]=2 4 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1Cl RT11782 [0,0,0,0,0,0|2,0,0]=2 5 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1I YH65375 [0,0,0,0,0,0|2,0,0]=2 6 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1O RT11599 [0,0,0,0,0,0|1,0,0]=1 7 B14R1.160 O=C([O-])CNC(=O)C1=CC=CC=C1I YH65376 [0,0,0,0,0,0|2,0,1]=3 8 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 XJ0998 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 XJ2107 [1,0,0,0,0,0|2,0,0]=3 10 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 LT1122 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.45 NC(=S)COC(=O)C1=CC=CC=C1 YH00033 [1,0,0,0,0,0|2,1,0]=4 12 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 RT17386 [1,0,0,0,0,0|1,0,1]=3 13 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 RT3513 [1,0,0,0,0,0|1,0,0]=2 14 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 RT15426 [1,0,0,0,0,0|1,0,0]=2 15 B13R1.45 O=C(O)CSC(=O)C1=CC=CC=C1 YH65347 [1,0,0,0,0,0|1,0,0]=2 16 B13R1.158 O=C(O)CCCC1=CC=CC=C1S RT19806 [1,0,0,0,0,0|0,1,1]=3 17 B13R1.674 CCCCC(=O)C1=C(C)C=CC=C1 LX2950 [1,0,0,0,0,0|2,0,1]=4 18 B15R1.124 O=C(O)CCC(=O)C1=CC=CC(Cl)=C1Cl RT3451 [0,1,0,0,0,0|1,0,0]=2 19 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)N1 LT0776 [0,0,0,1,0,0|2,0,1]=4 20 B13R1.201 CC1=CC=CC=C1[C@@H](N)CC(=O)O HL4516 [0,0,0,0,1,0|2,0,1]=4 21 B13R1.201 CC1=CC=CC=C1[C@H](N)CC(=O)O HL4547 [0,0,0,0,1,0|2,0,1]=4 22 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1F LL1946 [0,0,0,0,1,0|2,0,1]=4 23 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1Br JZ0900 [0,0,0,0,1,0|2,0,1]=4 24 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1F CJ2250 [0,0,0,0,1,0|2,0,1]=4 25 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1F JZ1256 [0,0,0,0,1,0|2,0,1]=4 26 B15R1.8019 O=C(O)CCCC(=O)C1=CC=CC=C1F YH65155 [0,0,0,0,0,1|1,0,0]=2 27 B12R1.30 CCCCC(=O)C1=CC=CC=C1 HL0607 [2,0,0,0,0,0|1,0,1]=4 28 B12R1.30 O=C(CCCO)C1=CC=CN=C1 RT9397 [2,0,0,0,0,0|1,0,1]=4 29 B12R1.30 O=C(OCCO)C1=CC=CC=C1 RT0571 [2,0,0,0,0,0|1,0,1]=4 30 B12R1.252 O=C(O)CCCC1=CC=CC=C1 RT12403 [2,0,0,0,0,0|0,0,1]=3 31 B12R1.252 O=C(O)CCCC1=NC=CC=C1 YH65623 [2,0,0,0,0,0|1,0,1]=4 32 B12R1.252 O=C(O)CCOC1=CC=CC=C1 LT6842 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.252 O=C(O)CNCC1=CC=CC=C1 YH18010 [2,0,0,0,0,0|1,0,1]=4 34 B12R1.252 O=C(O)COCC1=CC=CC=C1 YH53105 [2,0,0,0,0,0|1,0,1]=4 35 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 LQ2010 [2,0,0,0,0,0|0,0,1]=3 36 B12R1.308 O=C(NCO)C1=CC=CC=C1O YH32384 [2,0,0,0,0,0|1,0,0]=3 37 B14R1.149 O=C(O)CC[PH](=O)C1=CC=CC(O)=C1 LT2598 [1,1,0,0,0,0|1,0,0]=3 38 B14R1.149 O=C(O)CNC(=O)C1=CC=CC(Cl)=C1 RT11793 [1,1,0,0,0,0|1,0,0]=3 39 B14R1.415 CC(CC(=O)C1=CC=CC=C1)C(=O)O XJ1906 [1,1,0,0,0,0|0,0,0]=2 40 B14R1.415 O=C(C[C@H](O)C(=O)O)C1=CC=CC=C1 RT7186 [1,1,0,0,0,0|0,0,0]=2 41 B14R1.415 O=C(NC(O)C(=O)O)C1=CC=CC=C1 YH38622 [1,1,0,0,0,0|1,0,0]=3 42 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 LQ2700 [1,1,0,0,0,0|0,0,0]=2 43 B14R1.678 CC1=CC=C(C(=O)NCC(=O)O)C=C1 RT1665 [1,1,0,0,0,0|1,0,0]=3 44 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 XJ0008 [1,1,0,0,0,0|1,0,0]=3 45 B14R1.678 NC1=CC=C(C(=O)NCC(=O)[O-])C=C1 HL1243 [1,1,0,0,0,0|1,0,1]=4 46 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 JZ2432 [1,1,0,0,0,0|0,0,0]=2 47 B14R1.154 O=C(O)CCCC1=CC=CC(O)=C1O RT10582 [1,1,0,0,0,0|0,0,1]=3 48 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Cl)C=CC=C1 YH65406 [1,1,0,0,0,0|1,0,1]=4 49 B14R1.337 N[C@H](CC(=O)O)CC1=C(F)C=CC=C1 HL3921 [1,1,0,0,0,0|1,0,1]=4 50 B14R1.837 COC(=O)CCCC1=CC=CC=C1N RT5155 [1,1,0,0,0,0|1,0,1]=4 51 B14R1.918 O=C(NCCO)C1=CC(O)=CC=C1O YH10379 [1,1,0,0,0,0|1,0,1]=4 52 B16R1.4547 O=C(O)COC(=O)C1=CC=CC=C1C(=O)O RT11788 [0,2,0,0,0,0|1,0,0]=3 53 B16R1.11263 NC1=C(O)C=CC=C1C(=O)CC(N)C(=O)O RT5263 [0,2,0,0,0,0|1,0,0]=3 54 B16R1.11441 NC1=CC(Cl)=CC=C1C(=O)CC(N)C(=O)O RT1920 [0,2,0,0,0,0|1,0,0]=3 55 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 RT16752 [0,0,1,1,0,0|2,0,0]=4 56 B14R1.4522 O=C(O)CCC1=C(C(=O)O)C=CC=C1 YH18461 [0,0,1,1,0,0|2,0,0]=4 57 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 RT8664 [1,0,0,1,0,0|1,0,0]=3 58 B14R2.25733 O=C1CC(C(=O)O)C2=CC=CC=C12 CJ2862 [1,0,0,1,0,0|0,0,0]=2 59 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)O1 YH18907 [1,0,0,1,0,0|1,0,1]=4 60 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)N1 LT0757 [1,0,0,1,0,0|1,0,1]=4 61 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)O1 RT9277 [1,0,0,1,0,0|0,0,1]=3 62 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 YH25672 [1,0,0,1,0,0|2,0,0]=4 63 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 RT7779 [1,0,0,1,0,0|1,0,0]=3 64 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 YH15043 [1,0,0,1,0,0|1,0,0]=3 65 B14R2.781 O=C(O)[C@H]1CCC2=CC=CC=C2C1 YH90153 [1,0,0,1,0,0|1,0,1]=4 66 B14R2.781 O=C(O)[C@H]1COC2=C(C=CC=C2)O1 YH15042 [1,0,0,1,0,0|1,0,0]=3 67 B14R2.2 OC(=O)CC1=CNC2=C1C=CC=C2 RT13243 [0,0,0,1,1,0|2,0,0]=4 68 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 LQ4422 [0,0,0,1,1,0|1,0,1]=4 69 B16R2.16183 O=C(O)CN1C(=O)C2=C(C=CC=C2)C1=O YH65995 [0,1,0,1,0,0|1,0,1]=4 70 B16R2.16183 O=C(O)CN1C(=O)C2=CC=CC=C2C1=O JZ1722 [0,1,0,1,0,0|1,0,1]=4 71 B16R2.12 NC(CC1=CNC2=CC=CC=C12)C(=O)O LT7785 [0,1,0,1,0,0|2,0,0]=4 72 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O LT7526 [0,1,0,1,0,0|2,0,0]=4 73 B16R2.12 N[C@@H](CC1=CSC2=C1C=CC=C2)C(=O)O JZ1641 [0,1,0,1,0,0|1,1,0]=4 74 B16R2.12 N[C@H](CC1=CSC2=C1C=CC=C2)C(=O)O JZ1367 [0,1,0,1,0,0|1,1,0]=4 75 B16R2.23501 O=C1CC(C(=O)O)OC2=C1C=C(F)C=C2 RT9513 [0,1,0,1,0,0|0,0,0]=2 76 B16R2.4003 O=C(O)CCN1C(=O)SC2=CC=CC=C21 LT6612 [0,1,0,1,0,0|1,1,0]=4 77 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 LQ2684 [1,0,0,0,1,0|1,0,0]=3 78 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HL1237 [1,0,0,0,1,0|1,0,0]=3 79 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 LT6844 [1,0,0,0,1,0|1,0,1]=4 80 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 JZ4501 [1,0,0,0,1,0|1,0,1]=4 81 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 LQ2460 [1,0,0,0,1,0|1,0,0]=3 82 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 HL0179 [1,0,0,0,1,0|2,0,0]=4 83 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 JZ0890 [1,0,0,0,1,0|1,0,1]=4 84 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 RT12059 [1,0,0,0,1,0|1,0,1]=4 85 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 LQ3693 [1,0,0,0,1,0|1,0,1]=4 86 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 HL0178 [1,0,0,0,1,0|1,0,1]=4 87 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 LQ2496 [1,0,0,0,1,0|0,0,2]=4 88 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 YH47112 [1,0,0,0,1,0|1,0,0]=3 89 B12R1.125 O=C(O)CCC1=CC=CC=C1Br XJ4152 [1,0,0,0,1,0|1,0,0]=3 90 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl HL0947 [1,0,0,0,1,0|1,0,0]=3 91 B12R1.125 O=C(O)COC1=CC=CC=C1O LQ3078 [1,0,0,0,1,0|1,0,0]=3 92 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br RT6378 [1,0,0,0,1,0|1,0,1]=4 93 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O HL0187 [1,0,0,0,1,0|0,0,1]=3 94 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O XJ1000 [1,0,0,0,1,0|0,0,1]=3 95 B12R1.124 O=C(O)C(=O)C1=C(Cl)C=CC=C1 YH50289 [0,0,0,0,2,0|1,0,0]=3 96 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 LT2883 [1,0,0,0,0,1|0,0,0]=2 97 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 LQ2454 [1,0,0,0,0,1|0,0,0]=2 98 B14R1.420 O=C(O)CONC(=O)C1=CC=CC=C1 RT11600 [1,0,0,0,0,1|1,0,0]=3