0 B11R1.28 CCCCCc1ccccc1 3H2 [1,0,0,0,0,0|2,0,1]=4 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|0,0,0]=1 3 B11R1.28 c1ccc(cc1)CCNC=S LE2 [1,0,0,0,0,0|0,1,0]=2 4 B11R1.40 CC[C@H](Cc1ccccc1)N PO0 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.40 C[C@@H](Cc1ccccc1)NC B40 [1,0,0,0,0,0|0,0,1]=2 6 B11R1.40 c1ccc(cc1)C[C@@H](C=O)N PHA [1,0,0,0,0,0|1,0,0]=2 7 B11R1.40 c1ccc(cc1)C[C@@H](CO)N PHL [1,0,0,0,0,0|1,0,2]=4 8 B11R1.40 c1ccc(cc1)C[C@@H](CO)O PPP [1,0,0,0,0,0|1,0,2]=4 9 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH-] PHE_LL [1,0,0,0,0,0|1,0,1]=3 10 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH3+] PHE_LSN3 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.40 c1ccc(cc1)C[C@H](CO)N PDH [1,0,0,0,0,0|1,0,2]=4 12 B13R1.348 c1ccc(cc1)C[C@@H](CC(=O)O)N 3FB [0,1,0,0,0,0|2,0,0]=3 13 B13R1.348 c1ccc(cc1)C[C@H](N)NC(=O)O APE [0,1,0,0,0,0|1,0,0]=2 14 B13R2.328 CC1=Nc2ccccc2C(=O)N1 MEW [0,0,0,1,0,0|1,0,1]=3 15 B13R2.328 c1ccc2c(c1)C(=O)NC(=N2)N AQO [0,0,0,1,0,0|2,0,1]=4 16 B13R2.328 c1ccc2c(c1)C(=O)NC(=N2)S D1V [0,0,0,1,0,0|2,0,1]=4 17 B10R1.17 C=CCNc1ccccc1 NYL [2,0,0,0,0,0|2,0,0]=4 18 B10R1.17 CCCCc1ccccc1 N4B [2,0,0,0,0,0|1,0,1]=4 19 B10R1.17 c1cc(cnc1)CNC=S 35J [2,0,0,0,0,0|1,1,0]=4 20 B10R1.17 c1ccc(cc1)CCC=O 3PL [2,0,0,0,0,0|0,0,0]=2 21 B10R1.17 c1ccc(cc1)CCCCl LT1 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.17 c1ccc(cc1)CCC[NH3+] PRA [2,0,0,0,0,0|1,0,1]=4 23 B10R1.17 c1ccc(cc1)CNC=O BNF [2,0,0,0,0,0|0,0,0]=2 24 B10R1.17 c1ccc(cc1)CNC=S 9BE [2,0,0,0,0,0|0,1,0]=3 25 B10R1.17 c1ccc(cc1)COC=O BZO [2,0,0,0,0,0|1,0,0]=3 26 B10R1.17 c1ccc(cc1)COC=O CBZ [2,0,0,0,0,0|1,0,0]=3 27 B10R1.18 CC(=O)Oc1ccccc1 QY9 [2,0,0,0,0,0|1,0,1]=4 28 B10R1.18 CC(C)Cc1ccccc1 I4B [2,0,0,0,0,0|0,0,1]=3 29 B10R1.18 C[C@@H](Cc1ccccc1)N 1WE [2,0,0,0,0,0|0,0,0]=2 30 B10R1.18 C[C@H](Cc1ccccc1)N FRD [2,0,0,0,0,0|0,0,0]=2 31 B10R1.18 c1ccc(cc1)CC(=O)O PAC [2,0,0,0,0,0|1,0,1]=4 32 B12R1.1 c1cc(ccc1CCNC=S)O 4MT [1,1,0,0,0,0|0,1,0]=3 33 B12R1.252 CC(=O)NCCc1ccccc1 54W [1,1,0,0,0,0|0,0,0]=2 34 B12R1.252 c1ccc(cc1)CCCC(=O)O CLT [1,1,0,0,0,0|1,0,0]=3 35 B12R1.252 c1ccc(cc1)CNCC(=O)O 04Q [1,1,0,0,0,0|2,0,0]=4 36 B12R1.34 C[C@@H](c1ccccc1)N(C)C=O PHC [1,1,0,0,0,0|1,0,0]=3 37 B12R1.43 CC(=O)[C@H](Cc1ccccc1)N HPC [1,1,0,0,0,0|1,0,0]=3 38 B12R1.43 CN(Cc1ccccc1)C(=S)S P58 [1,1,0,0,0,0|1,1,0]=4 39 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O DPH [1,1,0,0,0,0|0,0,0]=2 40 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O 4LV [1,1,0,0,0,0|0,0,2]=4 41 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N 1MH [1,1,0,0,0,0|2,0,0]=4 42 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O 1PY [1,1,0,0,0,0|1,0,1]=4 43 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O PPY [1,1,0,0,0,0|1,0,1]=4 44 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N NFA [1,1,0,0,0,0|1,0,0]=3 45 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)Cl WJ1 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE [1,1,0,0,0,0|1,0,0]=3 47 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE_LFOH [1,1,0,0,0,0|1,0,0]=3 48 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O HFA [1,1,0,0,0,0|1,0,0]=3 49 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LLA [1,1,0,0,0,0|1,0,0]=3 50 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LOF [1,1,0,0,0,0|1,0,0]=3 51 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)[NH-] PHE_LEO2H [1,1,0,0,0,0|1,0,0]=3 52 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH-] PHE_LEO2 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+] PHE_LFZW [1,1,0,0,0,0|1,0,0]=3 54 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl WJ2 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N DPN [1,1,0,0,0,0|1,0,0]=3 56 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O HF2 [1,1,0,0,0,0|1,0,0]=3 57 B12R1.49 C[C@@H](Cc1ccc(cc1)O)NC 1WF [1,1,0,0,0,0|0,0,1]=3 58 B12R1.49 c1cc(ccc1C[C@@H](C=O)N)O TYB [1,1,0,0,0,0|1,0,0]=3 59 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH-])O TYR_LL [1,1,0,0,0,0|1,0,1]=4 60 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH-])[O-] TYR_LL_DHH [1,1,0,0,0,0|1,0,1]=4 61 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH3+])O TYR_LSN3 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH3+])[O-] TYR_LSN3_DHH [1,1,0,0,0,0|1,0,1]=4 63 B12R1.3 CC[C@H](c1ccccc1)NC=O BAS [0,1,0,0,1,0|0,0,0]=2 64 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 FBZ [0,1,0,0,1,0|1,0,0]=3 65 B12R1.107 c1ccc(cc1)C(CC(=O)O)N SFE [0,1,0,0,1,0|2,0,0]=4 66 B14R1.134 c1cc(ccc1C[C@@H]([C@@H](C=O)O)N)O OKJ [0,2,0,0,0,0|2,0,0]=4 67 B14R1.698 c1cc(ccc1C[C@@H](CC(=O)O)N)O B3Y [0,2,0,0,0,0|2,0,0]=4 68 B14R1.980 c1ccc(cc1)C[C@@H](C(=O)O)NC=O QPH [0,2,0,0,0,0|0,0,1]=3 69 B14R1.425 c1ccc(cc1)C[C@@H]([C@@H](C(=O)O)O)N 005 [0,2,0,0,0,0|2,0,0]=4 70 B14R1.425 c1ccc(cc1)C[C@@H]([C@H](C(=O)O)O)N 00M [0,2,0,0,0,0|2,0,0]=4 71 B14R1.425 c1ccc(cc1)C[C@H]([C@@H](C(=O)O)O)N 01B [0,2,0,0,0,0|2,0,0]=4 72 B14R1.1485 C[N@@+](Cc1ccccc1)(CC(=O)O)N MBH [0,2,0,0,0,0|2,0,0]=4 73 B12R2.1081 C[C@@H]1c2ccccc2CCN1 YLG [1,0,0,1,0,0|1,0,1]=4 74 B12R2.1081 c1ccc2c(c1)C=CNC2=O 4YS [1,0,0,1,0,0|0,0,2]=4 75 B12R2.1081 c1ccc2c(c1)CCNC2=O JOZ [1,0,0,1,0,0|0,0,0]=2 76 B12R2.18 CN1Cc2ccccc2C1=O 5WV [1,0,0,1,0,0|1,0,0]=3 77 B14R2.8188 c1ccc2c(c1)CC(=O)N(C2=O)O 0N7 [0,1,0,1,0,0|1,0,1]=4 78 B14R2.738 C[C@@H]1CC(=O)Nc2ccccc2N1 98 [0,1,0,1,0,0|2,0,0]=4 79 B14R2.8045 CC1=Nc2c(cccc2O)C(=O)N1 NU1 [0,1,0,1,0,0|1,0,1]=4 80 B10R1.15 CC[C@@H](C)c1ccccc1 3GY [1,0,0,0,1,0|1,0,1]=4 81 B10R1.15 C[C@H](C=O)c1ccccc1 1LP [1,0,0,0,1,0|0,0,0]=2