0 B12R1.43 CC(=O)[C@H](Cc1ccccc1)N HPC [0,0,0,0,0,0|1,0,2]=3 1 B12R1.43 CN(Cc1ccccc1)C(=S)S P58 [0,0,0,0,0,0|2,1,1]=4 2 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O DPH [0,0,0,0,0,0|1,0,2]=3 3 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O 4LV [0,0,0,0,0,0|1,0,0]=1 4 B12R1.43 c1ccc(cc1)/C=C(/C(=O)O)\N 23F [0,0,0,0,0,0|2,0,0]=2 5 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O 1PY [0,0,0,0,0,0|2,0,1]=3 6 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O PPY [0,0,0,0,0,0|2,0,1]=3 7 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N NFA [0,0,0,0,0,0|2,0,2]=4 8 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)Cl WJ1 [0,0,0,0,0,0|2,0,2]=4 9 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE [0,0,0,0,0,0|2,0,2]=4 10 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE_LFOH [0,0,0,0,0,0|2,0,2]=4 11 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O HFA [0,0,0,0,0,0|2,0,2]=4 12 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LLA [0,0,0,0,0,0|2,0,2]=4 13 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LOF [0,0,0,0,0,0|2,0,2]=4 14 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)[NH-] PHE_LEO2H [0,0,0,0,0,0|2,0,2]=4 15 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH-] PHE_LEO2 [0,0,0,0,0,0|2,0,2]=4 16 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+] PHE_LFZW [0,0,0,0,0,0|2,0,2]=4 17 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl WJ2 [0,0,0,0,0,0|2,0,2]=4 18 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N DPN [0,0,0,0,0,0|2,0,2]=4 19 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O HF2 [0,0,0,0,0,0|2,0,2]=4 20 B12R1.43 c1ccc(cc1)\C=C(\C(=O)O)/F 4LW [0,0,0,0,0,0|2,0,0]=2 21 B11R1.40 C[C@@H](Cc1ccccc1)NC B40 [1,0,0,0,0,0|1,0,2]=4 22 B11R1.40 c1ccc(cc1)C[C@@H](C=O)N PHA [1,0,0,0,0,0|1,0,2]=4 23 B11R1.91 CC(=O)OCc1ccccc1 J0Z [1,0,0,0,0,0|1,0,1]=3 24 B11R1.91 c1ccc(cc1)/C=C/C(=O)O TCA [1,0,0,0,0,0|1,0,0]=2 25 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [1,0,0,0,0,0|1,0,2]=4 26 B11R1.91 c1ccc(cc1)CNC(=O)O PMQ [1,0,0,0,0,0|2,0,1]=4 27 B11R1.91 c1ccc(cc1)COC(=O)Cl PHQ [1,0,0,0,0,0|2,0,1]=4 28 B11R1.91 c1ccc(cc1)COC(=O)O BGG [1,0,0,0,0,0|2,0,1]=4 29 B11R1.91 c1ccc(cc1)OCC(=O)N PO6 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.91 c1ccc(cc1)OCC(=O)O 06Y [1,0,0,0,0,0|2,0,1]=4 31 B11R1.91 c1ccc(cc1)\C=C\C(=O)N DH6 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.91 c1ccc(cc1)\C=C\[N+](=O)[O-] NS8 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.91 c1cnccc1/C=C/C(=O)O XIZ [1,0,0,0,0,0|2,0,0]=3 34 B13R1.133 c1cc(ccc1/C=C(\C(=O)[O-])/F)O FHC [0,1,0,0,0,0|2,0,0]=3 35 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)O ENO [0,1,0,0,0,0|2,0,1]=4 36 B13R1.133 c1cc(ccc1\C=C(/C(=O)O)\O)O EN1 [0,1,0,0,0,0|2,0,0]=3 37 B13R1.133 c1cc(ccc1\C=C(/C(=O)O)\S)Cl 2UB [0,1,0,0,0,0|2,0,0]=3 38 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N 0A9 [0,1,0,0,0,0|1,0,2]=4 39 B13R1.135 COC(=O)[C@H](Cc1ccccc1)O OPH [0,1,0,0,0,0|1,0,2]=4 40 B13R1.135 c1ccc(cc1)C[C@@H](C(=O)CCl)N PCS [0,1,0,0,0,0|1,0,2]=4 41 B13R1.135 c1ccc(cc1)C[C@@H](C(=O)CCl)N PHM [0,1,0,0,0,0|1,0,2]=4 42 B13R1.152 C[C@H](c1ccccc1)C(=O)C(=O)O 56D [0,1,0,0,0,0|2,0,1]=4 43 B13R1.202 CC(Cc1ccccc1O)C(=O)O OAC [0,1,0,0,0,0|1,0,2]=4 44 B13R1.418 CN[C@@H](Cc1ccccc1)C(=O)O MEA [0,1,0,0,0,0|1,0,2]=4 45 B13R1.418 CN[C@H](Cc1ccccc1)C(=O)O ZAE [0,1,0,0,0,0|1,0,2]=4 46 B13R1.418 c1ccc(cc1)C[C@@H](CI)C(=O)O BIP [0,1,0,0,0,0|1,0,2]=4 47 B13R1.418 c1ccc(cc1)C[C@H](CS)C(=O)O BTP [0,1,0,0,0,0|1,0,2]=4 48 B13R1.418 c1ccc(cc1)C\C(=N/O)\C(=O)O 3CR [0,1,0,0,0,0|2,0,1]=4 49 B13R2.369 CC1=Cc2ccccc2NC1=O J5I [0,0,0,1,0,0|1,0,0]=2 50 B13R2.369 CN1Cc2ccccc2NC1=O 3PF [0,0,0,1,0,0|2,0,1]=4 51 B13R2.369 C[C@H]1C(=O)Nc2ccccc2N1 5QY [0,0,0,1,0,0|2,0,1]=4 52 B13R2.369 c1ccc2c(c1)C=C(C(=O)N2)O G3E [0,0,0,1,0,0|2,0,0]=3 53 B13R2.369 c1ccc2c(c1)C=C(C(=O)O2)O SE2 [0,0,0,1,0,0|2,0,0]=3 54 B13R2.435 c1ccc2c(c1)CC(C2)C(=O)O 6FZ [0,0,0,1,0,0|1,0,2]=4 55 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(=O)O TRM [0,0,0,1,0,0|3,0,0]=4 56 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O ICB [0,0,0,1,0,0|2,0,0]=3 57 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O BZ2 [0,0,0,1,0,0|2,0,0]=3 58 B13R2.435 c1ccc2c(c1)cc(s2)C(=[NH2+])N ESX [0,0,0,1,0,0|3,0,0]=4 59 B11R1.36 C[C@H](c1ccccc1)C(=O)O GRO [0,0,0,0,1,0|1,0,1]=3 60 B11R1.36 c1ccc(cc1)C(=O)C(=O)O 173 [0,0,0,0,1,0|2,0,0]=3 61 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N 004 [0,0,0,0,1,0|2,0,1]=4 62 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O SMN [0,0,0,0,1,0|2,0,1]=4 63 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PG9 [0,0,0,0,1,0|2,0,1]=4 64 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PGY [0,0,0,0,1,0|2,0,1]=4 65 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O RMN [0,0,0,0,1,0|2,0,1]=4 66 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)S RTD [0,0,0,0,1,0|2,0,1]=4 67 B13R1.351 CC(=O)[C@H](CCc1ccccc1)N HPQ [0,0,0,0,0,1|1,0,2]=4 68 B10R1.17 c1ccc(cc1)CCC=O 3PL [2,0,0,0,0,0|0,0,2]=4 69 B10R1.17 c1ccc(cc1)CNC=O BNF [2,0,0,0,0,0|1,0,1]=4 70 B10R1.17 c1ccc(cc1)COC=O BZO [2,0,0,0,0,0|1,0,1]=4 71 B10R1.17 c1ccc(cc1)COC=O CBZ [2,0,0,0,0,0|1,0,1]=4 72 B10R1.18 CC(=O)Oc1ccccc1 QY9 [2,0,0,0,0,0|1,0,0]=3 73 B10R1.18 CC(C)Cc1ccccc1 I4B [2,0,0,0,0,0|0,0,2]=4 74 B10R1.18 c1ccc(cc1)CC(=O)O PAC [2,0,0,0,0,0|1,0,1]=4 75 B10R1.18 c1ccc(cc1)NC(=O)N PHU [2,0,0,0,0,0|2,0,0]=4 76 B12R1.34 C[C@@H](c1ccccc1)N(C)C=O PHC [1,1,0,0,0,0|1,0,1]=4 77 B12R1.21 c1cc(ccc1/C=C/C(=O)O)O HC4 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.21 c1cc(ccc1\C=C\[N+](=O)[O-])O P81 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.107 C\C(=C/N(=O)=O)\c1ccccc1 1L5 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.125 c1ccc(c(c1)/C=C/C(=O)O)O 2HC [1,1,0,0,0,0|1,0,0]=3 81 B12R1.125 c1ccc(c(c1)\C=C\[N+](=O)[O-])O P7Y [1,1,0,0,0,0|2,0,0]=4 82 B12R1.226 c1cc(cc(c1)O)\C=C\[N+](=O)[O-] P80 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)S 23J [0,1,0,0,1,0|2,0,0]=4 84 B12R1.225 c1cc(cc(c1)O)C(=O)C(=O)O A29 [0,1,0,0,1,0|2,0,0]=4 85 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)N GRN [0,1,0,0,1,0|1,0,1]=4 86 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O APG [0,1,0,0,1,0|1,0,1]=4 87 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O SAA [0,1,0,0,1,0|1,0,1]=4 88 B12R1.478 CN[C@@H](c1ccccc1)C(=O)O MPQ [0,1,0,0,1,0|1,0,1]=4 89 B14R1.743 CNC(=O)NC(=N)Nc1ccccc1 KLS [0,1,0,0,0,1|2,0,0]=4 90 B14R1.161 c1ccc(c(c1)C=CC(=O)C(=O)O)O TOH [0,1,0,0,0,1|2,0,0]=4 91 B14R1.415 C[C@H](C(=O)O)NC(=O)c1ccccc1 S2D [0,1,0,0,0,1|1,0,1]=4 92 B14R1.415 c1ccc(cc1)C(=O)CC(=O)C(=O)O XI7 [0,1,0,0,0,1|2,0,0]=4 93 B14R1.536 CN\C(=C/c1ccc(cc1)O)\C(=O)O 2QY [0,2,0,0,0,0|1,0,0]=3 94 B14R1.5971 CC(=O)N(C)Cc1c(cccc1Cl)Cl 5Q9 [0,2,0,0,0,0|1,0,1]=4 95 B12R2.18 CN1Cc2ccccc2C1=O 5WV [1,0,0,1,0,0|1,0,1]=4 96 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 ISN [1,0,0,1,0,0|2,0,0]=4 97 B12R2.24 c1ccc2c(c1)cc(cn2)N 4FS [1,0,0,1,0,0|2,0,0]=4 98 B12R2.24 c1ccc2cc(ccc2c1)O 03V [1,0,0,1,0,0|1,0,1]=4 99 B14R2.768 CC(=O)\N=C/1\Nc2ccccc2S1 UUD [0,0,0,1,0,1|2,0,0]=4 100 B14R2.768 c1ccc2c(c1)cc(s2)CC(=O)O 2FX [0,0,0,1,0,1|2,0,0]=4 101 B14R2.781 c1ccc2c(c1)cc(cn2)C(=O)O Q3C [0,0,0,1,0,1|1,0,1]=4 102 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O QNC [0,0,0,1,0,1|2,0,0]=4 103 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O QND [0,0,0,1,0,1|2,0,0]=4 104 B14R2.781 c1ccc2c(c1)ncc(n2)C(=O)O QUI [0,0,0,1,0,1|2,0,0]=4 105 B14R2.781 c1ccc2c(c1)ncc(n2)C(=O)O QX [0,0,0,1,0,1|2,0,0]=4 106 B14R2.781 c1ccc2cc(ccc2c1)C(=O)O FIV [0,0,0,1,0,1|1,0,1]=4 107 B14R2.781 c1ccc2cnc(cc2c1)C(=O)O 4K8 [0,0,0,1,0,1|1,0,1]=4 108 B14R2.4529 Cc1ccc2c(c1)cc([nH]2)C(=O)O 4BY [0,1,0,1,0,0|2,0,0]=4 109 B14R2.4529 Cc1ccc2cc([nH]c2c1)C(=O)O 4BL [0,1,0,1,0,0|2,0,0]=4 110 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Br 4ZU [0,1,0,1,0,0|2,0,0]=4 111 B14R2.4529 c1cc2c(cc1Br)cc(o2)C(=O)O UNJ [0,1,0,1,0,0|2,0,0]=4 112 B14R2.4529 c1cc2c(cc1Cl)cc([nH]2)C(=O)O 3ZB [0,1,0,1,0,0|2,0,0]=4 113 B14R2.4529 c1cc2c(cc1F)cc([nH]2)C(=O)O FIC [0,1,0,1,0,0|2,0,0]=4 114 B14R2.8188 CC1=C(C(=O)c2ccccc2N1)O HQD [0,1,0,1,0,0|2,0,0]=4 115 B14R2.8188 c1ccc2c(c1)CC(=O)N(C2=O)O 0N7 [0,1,0,1,0,0|2,0,0]=4 116 B14R2.450 CC1=C(Cc2c1cccc2)C(=O)O 38U [0,1,0,1,0,0|1,0,0]=3 117 B10R1.15 CCC(=O)c1ccccc1 I1E [1,0,0,0,1,0|1,0,1]=4 118 B10R1.15 CC[C@@H](C)c1ccccc1 3GY [1,0,0,0,1,0|0,0,2]=4 119 B10R1.15 C[C@H](C=O)c1ccccc1 1LP [1,0,0,0,1,0|0,0,1]=3 120 B12R1.252 CC(=O)NCCc1ccccc1 54W [1,0,0,0,0,1|0,0,2]=4 121 B12R1.252 c1ccc(cc1)SC=CC(=O)O 4ZD [1,0,0,0,0,1|1,0,0]=3