0 B11R1.40 CC[C@H](Cc1ccccc1)N PO0 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.40 C[C@@H](Cc1ccccc1)NC B40 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.40 c1ccc(cc1)C[C@@H](C=O)N PHA [0,0,0,0,0,0|3,0,0]=3 3 B11R1.40 c1ccc(cc1)C[C@@H](CO)N PHL [0,0,0,0,0,0|3,0,0]=3 4 B11R1.40 c1ccc(cc1)C[C@@H](CO)O PPP [0,0,0,0,0,0|3,0,0]=3 5 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH-] PHE_LL [0,0,0,0,0,0|3,0,0]=3 6 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH3+] PHE_LSN3 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.40 c1ccc(cc1)C[C@H](CO)N PDH [0,0,0,0,0,0|3,0,0]=3 8 B10R1.17 C=CCNc1ccccc1 NYL [1,0,0,0,0,0|2,0,1]=4 9 B10R1.17 CCCCc1ccccc1 N4B [1,0,0,0,0,0|1,0,0]=2 10 B10R1.17 c1ccc(cc1)CCC=O 3PL [1,0,0,0,0,0|2,0,0]=3 11 B10R1.17 c1ccc(cc1)CCCCl LT1 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.17 c1ccc(cc1)CCC[NH3+] PRA [1,0,0,0,0,0|2,0,0]=3 13 B10R1.17 c1ccc(cc1)CNC=O BNF [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 c1ccc(cc1)CNC=S 9BE [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 c1ccc(cc1)COC=O BZO [1,0,0,0,0,0|3,0,0]=4 16 B10R1.17 c1ccc(cc1)COC=O CBZ [1,0,0,0,0,0|3,0,0]=4 17 B10R1.17 c1ccc(cc1)NCC#N 264 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.17 c1ccc(cc1)OCCCl 258 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.17 c1ccc(cc1)OCCO 268 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.18 CC(=O)Oc1ccccc1 QY9 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.18 CC(C)Cc1ccccc1 I4B [1,0,0,0,0,0|0,0,0]=1 22 B10R1.18 C[C@@H](Cc1ccccc1)N 1WE [1,0,0,0,0,0|0,0,0]=1 23 B10R1.18 C[C@H](Cc1ccccc1)N FRD [1,0,0,0,0,0|0,0,0]=1 24 B10R1.18 N=C(\N)/Nc1ccccc1 PL0 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.18 c1ccc(cc1)CC(=O)O PAC [1,0,0,0,0,0|2,0,1]=4 26 B10R1.18 c1ccc(cc1)NC(=O)N PHU [1,0,0,0,0,0|2,0,1]=4 27 B10R1.18 c1ccc(cc1)NC(=S)N URS [1,0,0,0,0,0|2,0,1]=4 28 B12R1.34 C[C@@H](c1ccccc1)N(C)C=O PHC [0,1,0,0,0,0|3,0,0]=4 29 B12R1.34 c1ccc(cc1)[C@@H]([C@H](CO)O)N TA2 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.43 B([C@H](Cc1ccccc1)N)(O)O B1F [0,1,0,0,0,0|3,0,0]=4 31 B12R1.43 B([C@H](Cc1ccccc1)N)(O)O B2F [0,1,0,0,0,0|3,0,0]=4 32 B12R1.43 CC(=O)[C@H](Cc1ccccc1)N HPC [0,1,0,0,0,0|2,0,0]=3 33 B12R1.43 CN(Cc1ccccc1)C(=S)S P58 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O DPH [0,1,0,0,0,0|2,0,0]=3 35 B12R1.43 C[C@@H]([C@H](Cc1ccccc1)N)O PS0 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.43 C[C@H]([C@H](Cc1ccccc1)N)O HPB [0,1,0,0,0,0|2,0,0]=3 37 B12R1.43 C[C@H]([C@H](Cc1ccccc1)N)O PR0 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N NFA [0,1,0,0,0,0|3,0,0]=4 39 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)Cl WJ1 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE [0,1,0,0,0,0|3,0,0]=4 41 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE_LFOH [0,1,0,0,0,0|3,0,0]=4 42 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O HFA [0,1,0,0,0,0|3,0,0]=4 43 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LLA [0,1,0,0,0,0|3,0,0]=4 44 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LOF [0,1,0,0,0,0|3,0,0]=4 45 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)[NH-] PHE_LEO2H [0,1,0,0,0,0|3,0,0]=4 46 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH-] PHE_LEO2 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+] PHE_LFZW [0,1,0,0,0,0|3,0,0]=4 48 B12R1.43 c1ccc(cc1)C[C@@H](C(O)O)N HPH [0,1,0,0,0,0|3,0,0]=4 49 B12R1.43 c1ccc(cc1)C[C@@H](C(O)O)N TPH [0,1,0,0,0,0|3,0,0]=4 50 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl WJ2 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N DPN [0,1,0,0,0,0|3,0,0]=4 52 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O HF2 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.49 C[C@@H](Cc1ccc(cc1)O)NC 1WF [0,1,0,0,0,0|0,0,0]=1 54 B12R1.49 c1cc(ccc1CC(=O)NN)F 45Y [0,1,0,0,0,0|2,0,1]=4 55 B12R1.49 c1cc(ccc1C[C@@H](C=O)N)O TYB [0,1,0,0,0,0|3,0,0]=4 56 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O TYE [0,1,0,0,0,0|3,0,0]=4 57 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH-])O TYR_LL [0,1,0,0,0,0|3,0,0]=4 58 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH-])[O-] TYR_LL_DHH [0,1,0,0,0,0|3,0,0]=4 59 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH3+])O TYR_LSN3 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH3+])[O-] TYR_LSN3_DHH [0,1,0,0,0,0|3,0,0]=4 61 B12R2.18 CN1Cc2ccccc2C1=O 5WV [0,0,0,1,0,0|3,0,0]=4 62 B12R2.18 Cn1c2ccccc2nc1N ES7 [0,0,0,1,0,0|2,0,1]=4 63 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2O)O 5V4 [0,0,0,1,0,0|3,0,0]=4 64 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O 00X [0,0,0,1,0,0|3,0,0]=4 65 B12R2.32 CNc1[nH]c2ccccc2n1 1M2 [0,0,0,1,0,0|2,0,1]=4 66 B10R1.15 C#C[C@H](c1ccccc1)O 1DJ [0,0,0,0,1,0|2,0,1]=4 67 B10R1.15 CCC(=O)c1ccccc1 I1E [0,0,0,0,1,0|2,0,1]=4 68 B10R1.15 CC[C@@H](C)c1ccccc1 3GY [0,0,0,0,1,0|1,0,0]=2 69 B10R1.15 C[C@H](C=O)c1ccccc1 1LP [0,0,0,0,1,0|2,0,0]=3 70 B10R1.15 c1ccc(cc1)C(=O)NN WM4 [0,0,0,0,1,0|2,0,1]=4 71 B10R1.15 c1ccc(cc1)C(=O)NO BHO [0,0,0,0,1,0|2,0,1]=4 72 B10R1.15 c1ccc(cc1)[C@@H](C#N)O MNN [0,0,0,0,1,0|3,0,0]=4 73 B10R1.15 c1ccc(cc1)[C@H](C#N)O MXN [0,0,0,0,1,0|3,0,0]=4 74 B10R1.15 c1ccc(cc1)[C@H](CO)O FEH [0,0,0,0,1,0|3,0,0]=4 75 B9R1.8 CCCc1ccccc1 3H0 [2,0,0,0,0,0|0,0,0]=2 76 B9R1.8 CCOc1ccccc1 16Q [2,0,0,0,0,0|1,0,0]=3 77 B9R1.8 CCSc1ccccc1 16M [2,0,0,0,0,0|1,0,0]=3 78 B9R1.8 CNCc1ccccc1 271 [2,0,0,0,0,0|0,0,0]=2 79 B9R1.8 CSCc1ccccc1 PTF [2,0,0,0,0,0|1,0,0]=3 80 B9R1.8 c1cc(cnc1)CCN 45X [2,0,0,0,0,0|1,0,0]=3 81 B9R1.8 c1ccc(cc1)CC=O HY1 [2,0,0,0,0,0|1,0,1]=4 82 B9R1.8 c1ccc(cc1)CCCl CEE [2,0,0,0,0,0|1,0,0]=3 83 B9R1.8 c1ccc(cc1)CCO PEL [2,0,0,0,0,0|1,0,0]=3 84 B9R1.8 c1ccc(cc1)CC[NH3+] PEA [2,0,0,0,0,0|0,0,1]=3 85 B9R1.8 c1ccc(cc1)CNN BZZ [2,0,0,0,0,0|1,0,0]=3 86 B9R1.8 c1ccc(cc1)CON OBZ [2,0,0,0,0,0|1,0,0]=3 87 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O 269 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.28 CCCCCc1ccccc1 3H2 [1,1,0,0,0,0|1,0,0]=3 89 B11R1.28 c1ccc(cc1)CCCCN PBN [1,1,0,0,0,0|1,0,0]=3 90 B11R1.28 c1ccc(cc1)CCNC=O EOA [1,1,0,0,0,0|0,0,1]=3 91 B11R1.28 c1ccc(cc1)CCNC=S LE2 [1,1,0,0,0,0|0,0,1]=3 92 B11R1.91 B(CCc1ccccc1)(O)O PBA [1,1,0,0,0,0|2,0,0]=4 93 B11R1.91 CC(=O)OCc1ccccc1 J0Z [1,1,0,0,0,0|2,0,0]=4 94 B11R1.91 C[C@H](CCc1ccccc1)N 4DD [1,1,0,0,0,0|1,0,0]=3 95 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [1,1,0,0,0,0|2,0,0]=4 96 B11R1.20 C[C@H](Cc1ccc(cc1)O)N AEG [1,1,0,0,0,0|0,0,0]=2 97 B11R1.36 C[C@H]([C@@H](c1ccccc1)O)N NPU [1,1,0,0,0,0|0,0,0]=2 98 B11R1.222 CNC(=O)c1ccccc1I N1M [0,1,0,0,1,0|1,0,1]=4 99 B13R1.14 CO[C@@H](CCc1ccc(cc1)O)O 5K3 [0,1,0,0,0,1|2,0,0]=4 100 B13R1.351 CC(=O)[C@H](CCc1ccccc1)N HPQ [0,1,0,0,0,1|2,0,0]=4 101 B13R1.348 c1ccc(cc1)C[C@H](N)NC(=O)O APE [0,2,0,0,0,0|1,0,1]=4 102 B13R1.202 CC(Cc1ccccc1O)C(=O)O OAC [0,2,0,0,0,0|2,0,0]=4 103 B13R1.418 CN[C@@H](Cc1ccccc1)C(=O)O MEA [0,2,0,0,0,0|0,0,1]=3 104 B13R1.418 CN[C@H](Cc1ccccc1)C(=O)O ZAE [0,2,0,0,0,0|0,0,1]=3 105 B13R1.418 c1ccc(cc1)C[C@@H](CI)C(=O)O BIP [0,2,0,0,0,0|2,0,0]=4 106 B13R1.418 c1ccc(cc1)C[C@H](CS)C(=O)O BTP [0,2,0,0,0,0|2,0,0]=4 107 B13R1.249 CNS(=O)(=O)Cc1ccc(cc1)Cl 56F [0,2,0,0,0,0|2,0,0]=4 108 B11R2.1 c1ccc2c(c1)CCC2=O 1ON [1,0,0,1,0,0|2,0,0]=4 109 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N GJZ [1,0,0,1,0,0|2,0,0]=4 110 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2[NH3+] TPA [1,0,0,1,0,0|2,0,0]=4 111 B11R2.20 c1ccc2c(c1)CCNC2 2CK [1,0,0,1,0,0|0,0,0]=2 112 B11R2.10 C1=CC2=NC(N=C2C=C1)N 270 [1,0,0,1,0,0|2,0,0]=4 113 B11R2.10 Cc1cc2ccccc2[nH]1 2MI [1,0,0,1,0,0|0,0,2]=4 114 B11R2.10 c1ccc2c(c1)CC(C2)N XM0 [1,0,0,1,0,0|0,0,0]=2 115 B13R2.32 CN1c2ccccc2NCC1=O 5QX [0,0,0,1,0,1|1,0,1]=4 116 B13R2.57 c1ccc2c(c1)C[C@@H](CO2)CO BCU [0,0,0,1,0,1|2,0,0]=4 117 B13R2.435 c1ccc2c(c1)CC(C2)C(=O)O 6FZ [0,1,0,1,0,0|2,0,0]=4 118 B13R2.5179 CN1CCc2c(cccc2N)C1 4X6 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.6 CC(=O)c1ccccc1 AC0 [1,0,0,0,1,0|1,0,1]=4 120 B9R1.6 C[C@@H](c1ccccc1)N 98B [1,0,0,0,1,0|0,0,0]=2 121 B9R1.6 C[C@@H](c1ccccc1)O SS1 [1,0,0,0,1,0|1,0,0]=3 122 B9R1.6 C[C@H](c1ccccc1)N QSC [1,0,0,0,1,0|0,0,0]=2 123 B9R1.6 C[C@H](c1ccccc1)O SS2 [1,0,0,0,1,0|1,0,0]=3 124 B9R1.6 N=C(/c1ccccc1)\N BEN [1,0,0,0,1,0|1,0,1]=4 125 B9R1.6 c1ccc(cc1)C(=N)N BDN [1,0,0,0,1,0|1,0,1]=4 126 B9R1.6 c1ccc(cc1)C(=O)N UNU [1,0,0,0,1,0|1,0,1]=4 127 B9R1.6 c1ccc(cc1)C(=[NH2+])N BAM [1,0,0,0,1,0|1,0,1]=4