0 B14R1.686 C1C=C(C(=O)C=C1C[C@@H](C(=O)O)N)O DPQ [0,0,0,0,0,0|0,0,2]=2 1 B14R1.686 C1[C@@H](C(=CC=C1C[C@@H](C(=O)O)N)O)O TXY [0,0,0,0,0,0|0,0,2]=2 2 B14R1.686 N=C(/Cc1ccc(c(c1)O)O)\C(=O)O IM3 [0,0,0,0,0,0|0,0,2]=2 3 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)Br)O BYR [0,0,0,0,0,0|1,0,0]=1 4 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)Cl ZCL [0,0,0,0,0,0|2,0,0]=2 5 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)O 3CT [0,0,0,0,0,0|1,0,0]=1 6 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)F)F F2F [0,0,0,0,0,0|2,0,0]=2 7 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)F)O YOF [0,0,0,0,0,0|1,0,0]=1 8 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)I)O IYR [0,0,0,0,0,0|1,0,0]=1 9 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)N)O TY2 [0,0,0,0,0,0|1,0,0]=1 10 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)O)O DAH [0,0,0,0,0,0|0,0,0]=0 11 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)O)O TY3 [0,0,0,0,0,0|0,0,0]=0 12 B14R1.686 c1cc(c(cc1C[C@H](C(=O)O)N)Cl)O 3MY [0,0,0,0,0,0|1,0,0]=1 13 B13R1.133 Cc1ccc(cc1)C[C@@H](C(=O)O)N 4PH [1,0,0,0,0,0|1,0,0]=2 14 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)O ENO [1,0,0,0,0,0|1,0,1]=3 15 B13R1.133 c1cc(ccc1C[C@@H](C(=O)N)N)O TYC [1,0,0,0,0,0|1,0,0]=2 16 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Br 4BF [1,0,0,0,0,0|1,0,0]=2 17 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Cl 200 [1,0,0,0,0,0|1,0,0]=2 18 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)F PFF [1,0,0,0,0,0|1,0,0]=2 19 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)I PHI [1,0,0,0,0,0|1,0,0]=2 20 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)N HOX [1,0,0,0,0,0|1,0,0]=2 21 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O TYR [1,0,0,0,0,0|0,0,0]=1 22 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O TYR_LFOH [1,0,0,0,0,0|0,0,0]=1 23 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)[O-] TYR_LFOH_DHH [1,0,0,0,0,0|0,0,1]=2 24 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)O)O TYF [1,0,0,0,0,0|1,0,0]=2 25 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)S)I ISA [1,0,0,0,0,0|2,0,0]=3 26 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)[NH-])O TYR_LEO2H [1,0,0,0,0,0|0,0,1]=2 27 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)[NH-])[O-] TYR_LEO2H_DHH [1,0,0,0,0,0|0,0,2]=3 28 B13R1.133 c1cc(ccc1C[C@@H](C(=O)[O-])[NH-])O TYR_LEO2 [1,0,0,0,0,0|0,0,2]=3 29 B13R1.133 c1cc(ccc1C[C@@H](C(=O)[O-])[NH-])[O-] TYR_LEO2_DHH [1,0,0,0,0,0|0,0,3]=4 30 B13R1.133 c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])O TYR_LFZW [1,0,0,0,0,0|0,0,2]=3 31 B13R1.133 c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])[O-] TYR_LFZW_DHH [1,0,0,0,0,0|0,0,3]=4 32 B13R1.133 c1cc(ccc1C[C@@H](C(O)O)N)O TYW [1,0,0,0,0,0|0,0,2]=3 33 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)I IOY [1,0,0,0,0,0|1,0,0]=2 34 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)O DTY [1,0,0,0,0,0|0,0,0]=1 35 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)O)O 34H [1,0,0,0,0,0|1,0,0]=2 36 B13R1.133 c1cc(ccc1\C=C(/C(=O)O)\O)O EN1 [1,0,0,0,0,0|1,0,2]=4 37 B13R1.148 C[n+]1cccc(c1)C[C@@H](C(=O)O)N PRR [1,0,0,0,0,0|2,0,0]=3 38 B13R1.148 Cc1cccc(c1)C[C@@H](C(=O)O)N APD [1,0,0,0,0,0|1,0,0]=2 39 B13R1.148 c1cc(cc(c1)Br)C[C@@H](C(=O)O)N 6CV [1,0,0,0,0,0|1,0,0]=2 40 B13R1.148 c1cc(cc(c1)Cl)C[C@@H](C(=O)O)N FCL [1,0,0,0,0,0|1,0,0]=2 41 B13R1.148 c1cc(cc(c1)I)C[C@@H](C(=O)O)N 33S [1,0,0,0,0,0|1,0,0]=2 42 B13R1.148 c1cc(cc(c1)O)C[C@@H](C(=O)O)N EHP [1,0,0,0,0,0|0,0,0]=1 43 B13R1.148 c1cc(cc(c1)O)C[C@@H](C(=O)O)N MTY [1,0,0,0,0,0|0,0,0]=1 44 B13R1.511 c1cc(c(cc1/C=C/C(=O)O)O)O DHC [1,0,0,0,0,0|0,0,2]=3 45 B15R1.676 CN[C@@H](Cc1ccc(c(c1)Cl)O)C(=O)O CNT [0,1,0,0,0,0|1,0,0]=2 46 B15R1.890 c1cc(c(cc1[C@H]([C@@H](C(=O)O)N)O)Cl)O OMY [0,1,0,0,0,0|1,0,0]=2 47 B15R1.890 c1cc(c(cc1[C@H]([C@H](C(=O)O)N)O)Cl)O OMZ [0,1,0,0,0,0|1,0,0]=2 48 B15R1.4038 COc1cc(ccc1O)C[C@@H](C(=O)O)N 3YM [0,1,0,0,0,0|0,0,0]=1 49 B15R1.8394 C1=C(C(=O)C=C(C1=N)O)C[C@@H](C(=O)O)N TYY [0,1,0,0,0,0|1,0,0]=2 50 B15R1.8394 C1=C(C(=O)C=C(C1=O)O)C[C@@H](C(=O)O)N TPQ [0,1,0,0,0,0|0,0,1]=2 51 B15R1.8394 c1c(c(cc(c1N)O)O)C[C@@H](C(=O)O)N TYQ [0,1,0,0,0,0|1,0,0]=2 52 B15R1.8408 c1cc(c(c(c1C[C@@H](C(=O)O)N)F)F)O FY2 [0,1,0,0,0,0|1,0,0]=2 53 B15R1.28955 c1c(cc(c(c1Br)O)Br)C[C@@H](C(=O)O)N DBY [0,1,0,0,0,0|1,0,0]=2 54 B15R1.28955 c1c(cc(c(c1Cl)O)Cl)C[C@@H](C(=O)O)N 2LT [0,1,0,0,0,0|1,0,0]=2 55 B15R1.28955 c1c(cc(c(c1F)O)F)C[C@@H](C(=O)O)N F2Y [0,1,0,0,0,0|1,0,0]=2 56 B15R1.28955 c1c(cc(c(c1I)O)I)C[C@@H](C(=O)O)N TYI [0,1,0,0,0,0|1,0,0]=2 57 B13R1.510 c1cc(c(cc1[C@@H](C(=O)O)N)Cl)O CHP [0,0,0,0,1,0|1,0,0]=2 58 B13R1.510 c1cc(c(cc1[C@H](C(=O)O)N)Cl)O 0UZ [0,0,0,0,1,0|1,0,0]=2 59 B13R1.510 c1cc(c(cc1[C@H](C(=O)O)N)O)O NTR [0,0,0,0,1,0|0,0,0]=1 60 B13R1.5896 C(c1c(c(no1)O)Br)C(C(=O)O)N BRH [0,0,0,0,1,0|3,0,0]=4 61 B12R1.21 Cc1ccc(cc1)CCC(=O)O PPT [2,0,0,0,0,0|1,0,0]=3 62 B12R1.21 c1cc(ccc1/C=C/C(=O)O)O HC4 [2,0,0,0,0,0|0,0,2]=4 63 B12R1.21 c1cc(ccc1CCC(=O)N)Br TCF [2,0,0,0,0,0|2,0,0]=4 64 B12R1.21 c1cc(ccc1CCC(=O)N)O SGI [2,0,0,0,0,0|1,0,0]=3 65 B12R1.21 c1cc(ccc1CCC(=O)O)Cl S0W [2,0,0,0,0,0|1,0,0]=3 66 B12R1.21 c1cc(ccc1CCC(=O)O)N AHC [2,0,0,0,0,0|1,0,0]=3 67 B12R1.21 c1cc(ccc1CCC(=O)O)O HPP [2,0,0,0,0,0|0,0,0]=2 68 B12R1.43 B([C@H](Cc1ccccc1)N)(O)O B1F [2,0,0,0,0,0|1,0,1]=4 69 B12R1.43 B([C@H](Cc1ccccc1)N)(O)O B2F [2,0,0,0,0,0|1,0,1]=4 70 B12R1.43 CC(=O)[C@H](Cc1ccccc1)N HPC [2,0,0,0,0,0|1,0,0]=3 71 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O DPH [2,0,0,0,0,0|1,0,0]=3 72 B12R1.43 C[C@@H]([C@H](Cc1ccccc1)N)O PS0 [2,0,0,0,0,0|1,0,1]=4 73 B12R1.43 C[C@H]([C@H](Cc1ccccc1)N)O HPB [2,0,0,0,0,0|1,0,1]=4 74 B12R1.43 C[C@H]([C@H](Cc1ccccc1)N)O PR0 [2,0,0,0,0,0|1,0,1]=4 75 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N 1MH [2,0,0,0,0,0|1,0,0]=3 76 B12R1.43 c1ccc(cc1)/C=C(/C(=O)O)\N 23F [2,0,0,0,0,0|0,0,2]=4 77 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O 1PY [2,0,0,0,0,0|1,0,1]=4 78 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O PPY [2,0,0,0,0,0|1,0,1]=4 79 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N NFA [2,0,0,0,0,0|1,0,0]=3 80 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)Cl WJ1 [2,0,0,0,0,0|1,0,0]=3 81 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE [2,0,0,0,0,0|0,0,0]=2 82 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE_LFOH [2,0,0,0,0,0|0,0,0]=2 83 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O HFA [2,0,0,0,0,0|1,0,0]=3 84 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LLA [2,0,0,0,0,0|1,0,0]=3 85 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LOF [2,0,0,0,0,0|1,0,0]=3 86 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)[NH-] PHE_LEO2H [2,0,0,0,0,0|0,0,1]=3 87 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH-] PHE_LEO2 [2,0,0,0,0,0|0,0,2]=4 88 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+] PHE_LFZW [2,0,0,0,0,0|0,0,2]=4 89 B12R1.43 c1ccc(cc1)C[C@@H](C(O)O)N HPH [2,0,0,0,0,0|0,0,2]=4 90 B12R1.43 c1ccc(cc1)C[C@@H](C(O)O)N TPH [2,0,0,0,0,0|0,0,2]=4 91 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl WJ2 [2,0,0,0,0,0|1,0,0]=3 92 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N DPN [2,0,0,0,0,0|0,0,0]=2 93 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O HF2 [2,0,0,0,0,0|1,0,0]=3 94 B12R1.49 c1cc(ccc1C[C@@H](C=O)N)O TYB [2,0,0,0,0,0|0,0,0]=2 95 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O TYE [2,0,0,0,0,0|0,0,1]=3 96 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH-])O TYR_LL [2,0,0,0,0,0|0,0,2]=4 97 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH3+])O TYR_LSN3 [2,0,0,0,0,0|0,0,2]=4 98 B12R1.19 c1cc(c(cc1CC(=O)O)O)O DHY [2,0,0,0,0,0|1,0,1]=4 99 B12R1.19 c1cc(c(cc1CC(=O)O)O)O HAA [2,0,0,0,0,0|1,0,1]=4 100 B14R0.2358 C([C@@H](C(=O)O)N)C(=C/C=C/OO)C=CO TYO [0,1,1,0,0,0|0,0,0]=2 101 B14R1.3 C#Cc1ccc(cc1)C[C@@H](C(=O)O)N 5DW [1,1,0,0,0,0|1,0,0]=3 102 B14R1.3 COc1ccc(cc1)C[C@@H](C(=O)O)N 0A1 [1,1,0,0,0,0|0,0,0]=2 103 B14R1.3 c1cc(ccc1C[C@@H](C(=O)O)N)C#N 4CF [1,1,0,0,0,0|1,0,0]=3 104 B14R1.3 c1cc(ccc1C[C@H](C(=O)O)N)CN 1G8 [1,1,0,0,0,0|1,0,0]=3 105 B14R1.132 c1cc(ccc1[C@@H]([C@@H](C(=O)O)O)O)F 295 [1,1,0,0,0,0|2,0,0]=4 106 B14R1.132 c1cc(ccc1[C@H]([C@@H](C(=O)O)N)O)O OMX [1,1,0,0,0,0|0,0,0]=2 107 B14R1.132 c1cc(ccc1[C@H]([C@H](C(=O)O)N)O)O HTY [1,1,0,0,0,0|0,0,0]=2 108 B14R1.134 c1cc(ccc1C[C@@H]([C@@H](C=O)O)N)O OKJ [1,1,0,0,0,0|0,0,1]=3 109 B14R1.134 c1cc(ccc1C[C@@H]([C@H](CO)O)N)O 6VF [1,1,0,0,0,0|0,0,2]=4 110 B14R1.134 c1cc(ccc1C[C@H](C(=O)NO)N)I IPO [1,1,0,0,0,0|1,0,0]=3 111 B14R1.536 CN[C@@H](Cc1ccc(cc1)O)C(=O)O YNM [1,1,0,0,0,0|0,0,0]=2 112 B14R1.536 CN\C(=C/c1ccc(cc1)O)\C(=O)O 2QY [1,1,0,0,0,0|0,0,2]=4 113 B14R1.6049 c1cc(c(cc1O)O)C[C@@H](C(=O)O)N OTY [1,1,0,0,0,0|0,0,0]=2 114 B14R1.75 c1cc(cc(c1)C#N)C[C@@H](C(=O)O)N 3CF [1,1,0,0,0,0|1,0,0]=3 115 B14R1.4257 c1c(cc(cc1F)F)C[C@@H](C(=O)O)N WFP [1,1,0,0,0,0|1,0,0]=3 116 B14R1.42 COc1cc(ccc1O)/C=C/C(=O)O FER [1,1,0,0,0,0|0,0,2]=4 117 B14R1.3653 COc1ccc(cc1O)/C=C/C(=O)O 4FE [1,1,0,0,0,0|0,0,2]=4 118 B14R1.3653 Cc1cc(ccc1OC)CCC(=O)O ZGB [1,1,0,0,0,0|1,0,0]=3 119 B14R1.1032 CN[C@@H](c1ccc(c(c1)O)O)C(=O)O 02V [0,1,0,0,1,0|0,0,0]=2 120 B14R1.15551 Cc1c(cc(cc1O)[C@@H](C(=O)O)N)O MP4 [0,1,0,0,1,0|1,0,0]=3 121 B16R1.3083 CN[C@@H]([C@@H](c1ccc(c(c1)O)O)O)C(=O)O 0EA [0,2,0,0,0,0|0,0,0]=2 122 B16R1.67833 CN[C@@H](Cc1cc(c(cc1O)O)O)C(=O)O TYJ [0,2,0,0,0,0|0,0,0]=2 123 B16R1.94545 C[C@](Cc1ccc(c(c1)O)O)(C(=O)O)NN 142 [0,2,0,0,0,0|0,0,0]=2 124 B16R1.1058 c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O NIY [0,2,0,0,0,0|0,0,1]=3 125 B16R1.12749 c1cc(c(cc1C[C@@H](C(=O)O)N)N=[N+]=[N-])O AZY [0,2,0,0,0,0|1,0,0]=3 126 B16R1.3916 c1c(c(c(c(c1F)O)F)F)C[C@@H](C(=O)O)N FY3 [0,2,0,0,0,0|1,0,0]=3 127 B16R1.23724 c1c(c(c(c(c1F)C[C@@H](C(=O)O)N)F)F)O 51T [0,2,0,0,0,0|1,0,0]=3 128 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)O D4P [1,0,0,0,1,0|0,0,0]=2 129 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)O HHH [1,0,0,0,1,0|1,0,0]=3 130 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O DGH [1,0,0,0,1,0|0,0,0]=2 131 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O GHP [1,0,0,0,1,0|0,0,0]=2 132 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O NTY [1,0,0,0,1,0|0,0,0]=2 133 B12R1.104 c1cc(sc1C[C@@H](C(=O)O)N)Br 33W [1,0,0,0,1,0|2,0,0]=4 134 B12R1.145 c1c(c(no1)O)C[C@@H](C(=O)O)N SHI [1,0,0,0,1,0|2,0,0]=4 135 B12R1.145 c1c(n(cn1)O)C[C@@H](C(=O)O)N HSK [1,0,0,0,1,0|2,0,0]=4 136 B12R1.225 c1cc(cc(c1)Cl)[C@H](C(=O)O)O 47E [1,0,0,0,1,0|2,0,0]=4 137 B12R1.225 c1cc(cc(c1)O)C(=O)C(=O)O A29 [1,0,0,0,1,0|1,0,1]=4 138 B14R1.679 c1cc(ccc1CC[C@@H](C(=O)O)N)O 73O [1,0,0,0,0,1|0,0,0]=2 139 B14R1.698 c1cc(ccc1C[C@@H](CC(=O)O)N)O B3Y [1,0,0,0,0,1|0,0,0]=2