0 B11R1.28 CCCCCc1ccccc1 3H2 [1,0,0,0,0,0|1,0,1]=3 1 B11R1.28 c1ccc(cc1)CCCCN PBN [1,0,0,0,0,0|2,0,1]=4 2 B11R1.28 c1ccc(cc1)CCNC=O EOA [1,0,0,0,0,0|3,0,0]=4 3 B11R1.28 c1ccc(cc1)CCNC=S LE2 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.91 B(CCc1ccccc1)(O)O PBA [1,0,0,0,0,0|1,0,1]=3 5 B11R1.91 CC(=O)OCc1ccccc1 J0Z [1,0,0,0,0,0|1,0,0]=2 6 B11R1.91 C[C@H](CCc1ccccc1)N 4DD [1,0,0,0,0,0|1,0,1]=3 7 B11R1.91 c1ccc(cc1)/C=C/C(=O)O TCA [1,0,0,0,0,0|0,0,2]=3 8 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [1,0,0,0,0,0|0,0,0]=1 9 B11R1.91 c1ccc(cc1)CNC(=O)O PMQ [1,0,0,0,0,0|1,0,0]=2 10 B11R1.91 c1ccc(cc1)COC(=O)Cl PHQ [1,0,0,0,0,0|2,0,0]=3 11 B11R1.91 c1ccc(cc1)COC(=O)O BGG [1,0,0,0,0,0|1,0,0]=2 12 B11R1.91 c1ccc(cc1)OCC(=O)N PO6 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.91 c1ccc(cc1)OCC(=O)O 06Y [1,0,0,0,0,0|1,0,0]=2 14 B11R1.91 c1ccc(cc1)\C=C\C(=O)N DH6 [1,0,0,0,0,0|1,0,2]=4 15 B11R1.91 c1cnccc1/C=C/C(=O)O XIZ [1,0,0,0,0,0|1,0,2]=4 16 B13R1.14 CO[C@@H](CCc1ccc(cc1)O)O 5K3 [0,1,0,0,0,0|0,0,2]=3 17 B13R1.14 N=C\C(=C)CCc1ccc(cc1)F MFG [0,1,0,0,0,0|3,0,0]=4 18 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N 0A9 [0,1,0,0,0,0|0,0,0]=1 19 B13R1.135 COC(=O)[C@H](Cc1ccccc1)O OPH [0,1,0,0,0,0|0,0,0]=1 20 B13R1.135 c1ccc(cc1)C[C@@H](C(=O)CCl)N PCS [0,1,0,0,0,0|2,0,0]=3 21 B13R1.135 c1ccc(cc1)C[C@@H](C(=O)CCl)N PHM [0,1,0,0,0,0|2,0,0]=3 22 B13R1.351 CC(=O)[C@H](CCc1ccccc1)N HPQ [0,1,0,0,0,0|2,0,1]=4 23 B13R2.32 CN1c2ccccc2C=CC1=O 12Q [0,0,0,1,0,0|1,0,2]=4 24 B13R2.32 CN1c2ccccc2NCC1=O 5QX [0,0,0,1,0,0|2,0,0]=3 25 B11R1.40 CC[C@H](Cc1ccccc1)N PO0 [0,0,0,0,1,0|2,0,1]=4 26 B11R1.40 C[C@@H](Cc1ccccc1)NC B40 [0,0,0,0,1,0|2,0,1]=4 27 B11R1.40 c1ccc(cc1)NC(=O)ON PHJ [0,0,0,0,1,0|2,0,0]=3 28 B10R1.17 C=CCNc1ccccc1 NYL [2,0,0,0,0,0|1,0,1]=4 29 B10R1.17 CCCCc1ccccc1 N4B [2,0,0,0,0,0|0,0,1]=3 30 B10R1.17 c1ccc(cc1)CCC=O 3PL [2,0,0,0,0,0|0,0,0]=2 31 B10R1.17 c1ccc(cc1)CCCCl LT1 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.17 c1ccc(cc1)CCC[NH3+] PRA [2,0,0,0,0,0|1,0,1]=4 33 B10R1.17 c1ccc(cc1)CNC=O BNF [2,0,0,0,0,0|1,0,0]=3 34 B10R1.17 c1ccc(cc1)CNC=S 9BE [2,0,0,0,0,0|1,1,0]=4 35 B10R1.17 c1ccc(cc1)COC=O BZO [2,0,0,0,0,0|1,0,0]=3 36 B10R1.17 c1ccc(cc1)COC=O CBZ [2,0,0,0,0,0|1,0,0]=3 37 B10R1.17 c1ccc(cc1)OCCO 268 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.8 CCCCCCc1ccccc1 3GZ [1,1,0,0,0,0|1,0,1]=4 39 B12R1.252 CC(=O)NCCc1ccccc1 54W [1,1,0,0,0,0|2,0,0]=4 40 B12R1.21 Cc1ccc(cc1)CCC(=O)O PPT [1,1,0,0,0,0|0,0,0]=2 41 B12R1.21 c1cc(ccc1/C=C/C(=O)O)O HC4 [1,1,0,0,0,0|0,0,2]=4 42 B12R1.21 c1cc(ccc1CCC(=O)N)Br TCF [1,1,0,0,0,0|1,0,0]=3 43 B12R1.21 c1cc(ccc1CCC(=O)N)O SGI [1,1,0,0,0,0|1,0,0]=3 44 B12R1.21 c1cc(ccc1CCC(=O)O)Cl S0W [1,1,0,0,0,0|0,0,0]=2 45 B12R1.21 c1cc(ccc1CCC(=O)O)N AHC [1,1,0,0,0,0|0,0,0]=2 46 B12R1.21 c1cc(ccc1CCC(=O)O)O HPP [1,1,0,0,0,0|0,0,0]=2 47 B12R1.43 B([C@H](Cc1ccccc1)N)(O)O B1F [1,1,0,0,0,0|1,0,1]=4 48 B12R1.43 B([C@H](Cc1ccccc1)N)(O)O B2F [1,1,0,0,0,0|1,0,1]=4 49 B12R1.43 CC(=O)[C@H](Cc1ccccc1)N HPC [1,1,0,0,0,0|0,0,0]=2 50 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O DPH [1,1,0,0,0,0|0,0,0]=2 51 B12R1.43 C[C@@H]([C@H](Cc1ccccc1)N)O PS0 [1,1,0,0,0,0|0,0,2]=4 52 B12R1.43 C[C@H]([C@H](Cc1ccccc1)N)O HPB [1,1,0,0,0,0|0,0,2]=4 53 B12R1.43 C[C@H]([C@H](Cc1ccccc1)N)O PR0 [1,1,0,0,0,0|0,0,2]=4 54 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O 4LV [1,1,0,0,0,0|0,0,2]=4 55 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N 1MH [1,1,0,0,0,0|1,0,0]=3 56 B12R1.43 c1ccc(cc1)/C=C(/C(=O)O)\N 23F [1,1,0,0,0,0|0,0,2]=4 57 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O 1PY [1,1,0,0,0,0|0,0,1]=3 58 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O PPY [1,1,0,0,0,0|0,0,1]=3 59 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N NFA [1,1,0,0,0,0|1,0,0]=3 60 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)Cl WJ1 [1,1,0,0,0,0|0,0,0]=2 61 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE [1,1,0,0,0,0|0,0,0]=2 62 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE_LFOH [1,1,0,0,0,0|0,0,0]=2 63 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O HFA [1,1,0,0,0,0|0,0,0]=2 64 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LLA [1,1,0,0,0,0|0,0,0]=2 65 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LOF [1,1,0,0,0,0|0,0,0]=2 66 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)[NH-] PHE_LEO2H [1,1,0,0,0,0|0,0,0]=2 67 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH-] PHE_LEO2 [1,1,0,0,0,0|0,0,1]=3 68 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+] PHE_LFZW [1,1,0,0,0,0|0,0,1]=3 69 B12R1.43 c1ccc(cc1)C[C@@H](C(O)O)N HPH [1,1,0,0,0,0|0,0,2]=4 70 B12R1.43 c1ccc(cc1)C[C@@H](C(O)O)N TPH [1,1,0,0,0,0|0,0,2]=4 71 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl WJ2 [1,1,0,0,0,0|0,0,0]=2 72 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N DPN [1,1,0,0,0,0|0,0,0]=2 73 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O HF2 [1,1,0,0,0,0|0,0,0]=2 74 B12R1.43 c1ccc(cc1)\C=C(\C(=O)O)/F 4LW [1,1,0,0,0,0|0,0,2]=4 75 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 FBZ [1,1,0,0,0,0|0,0,0]=2 76 B12R1.107 c1ccc(cc1)C(CC(=O)O)N SFE [1,1,0,0,0,0|0,0,0]=2 77 B12R1.125 Cc1ccccc1CCC(=O)O 02Q [1,1,0,0,0,0|0,0,0]=2 78 B12R1.125 c1ccc(c(c1)/C=C/C(=O)O)O 2HC [1,1,0,0,0,0|0,0,2]=4 79 B12R1.108 COC(=O)[C@H](Cc1c[nH]c[nH+]1)N PVH [0,1,0,0,1,0|2,0,0]=4 80 B12R1.49 c1cc(ccc1CC(=O)NN)F 45Y [0,1,0,0,1,0|2,0,0]=4 81 B14R1.6449 c1ccc(cc1)CCCC(=O)C(=O)O KPV [0,1,0,0,0,1|2,0,0]=4 82 B14R1.3297 COC(=O)\C=C(/C#N)\c1ccccc1 4EG [0,2,0,0,0,0|0,0,2]=4 83 B14R1.134 c1cc(ccc1C[C@H](C(=O)NO)N)I IPO [0,2,0,0,0,0|2,0,0]=4 84 B14R1.156 c1ccc(cc1)COC(=O)NCC#N 3S9 [0,2,0,0,0,0|2,0,0]=4 85 B12R2.1 CN[C@@H]1CCc2c1cccc2 RM1 [1,0,0,1,0,0|1,0,1]=4 86 B12R2.1081 C[C@@H]1c2ccccc2CCN1 YLG [1,0,0,1,0,0|2,0,0]=4 87 B12R2.24 c1ccc2c(c1)C=CC(=O)O2 COU [1,0,0,1,0,0|0,0,2]=4 88 B10R1.18 CC(=O)Oc1ccccc1 QY9 [1,0,0,0,1,0|1,0,0]=3 89 B10R1.18 CC(C)Cc1ccccc1 I4B [1,0,0,0,1,0|1,0,1]=4 90 B10R1.18 C[C@@H](Cc1ccccc1)N 1WE [1,0,0,0,1,0|1,0,1]=4 91 B10R1.18 C[C@H](Cc1ccccc1)N FRD [1,0,0,0,1,0|1,0,1]=4 92 B10R1.18 c1ccc(cc1)CC(=O)O PAC [1,0,0,0,1,0|0,0,0]=2 93 B10R1.18 c1ccc(cc1)NC(=O)N PHU [1,0,0,0,1,0|2,0,0]=4 94 B10R1.66 c1cc(oc1)CCC(=O)O 6O5 [1,0,0,0,1,0|1,0,0]=3 95 B10R1.15 CCC(=O)c1ccccc1 I1E [0,0,0,0,2,0|1,0,0]=3 96 B10R1.15 c1ccc(cc1)C(=O)CO HXT [0,0,0,0,2,0|2,0,0]=4 97 B10R1.15 c1ccc(cc1)C(=O)NN WM4 [0,0,0,0,2,0|2,0,0]=4 98 B10R1.15 c1ccc(cc1)C(=O)NO BHO [0,0,0,0,2,0|2,0,0]=4