0 B11R1.40 C[C@@H](Cc1ccccc1)NC B40 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.40 c1ccc(cc1)C[C@@H](C=O)N PHA [0,0,0,0,0,0|1,0,2]=3 2 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH-] PHE_LL [0,0,0,0,0,0|1,0,3]=4 3 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH3+] PHE_LSN3 [0,0,0,0,0,0|1,0,3]=4 4 B11R1.40 c1ccc(cc1)NC(=O)ON PHJ [0,0,0,0,0,0|4,0,0]=4 5 B10R1.17 C=CCNc1ccccc1 NYL [1,0,0,0,0,0|2,0,1]=4 6 B10R1.17 c1ccc(cc1)CCC=O 3PL [1,0,0,0,0,0|0,0,2]=3 7 B10R1.17 c1ccc(cc1)CNC=O BNF [1,0,0,0,0,0|1,0,1]=3 8 B10R1.17 c1ccc(cc1)CNC=S 9BE [1,0,0,0,0,0|1,1,1]=4 9 B10R1.17 c1ccc(cc1)COC=O BZO [1,0,0,0,0,0|1,0,1]=3 10 B10R1.17 c1ccc(cc1)COC=O CBZ [1,0,0,0,0,0|1,0,1]=3 11 B10R1.18 CC(=O)Oc1ccccc1 QY9 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.18 CC(C)Cc1ccccc1 I4B [1,0,0,0,0,0|0,0,3]=4 13 B10R1.18 C[C@@H](Cc1ccccc1)N 1WE [1,0,0,0,0,0|1,0,2]=4 14 B10R1.18 C[C@H](Cc1ccccc1)N FRD [1,0,0,0,0,0|1,0,2]=4 15 B10R1.18 N=C(\N)/Nc1ccccc1 PL0 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.18 c1ccc(cc1)CC(=O)O PAC [1,0,0,0,0,0|1,0,1]=3 17 B10R1.18 c1ccc(cc1)NC(=O)N PHU [1,0,0,0,0,0|2,0,0]=3 18 B10R1.18 c1ccc(cc1)NC(=S)N URS [1,0,0,0,0,0|2,1,0]=4 19 B12R1.34 C[C@@H](c1ccccc1)N(C)C=O PHC [0,1,0,0,0,0|1,0,1]=3 20 B12R1.43 CC(=O)[C@H](Cc1ccccc1)N HPC [0,1,0,0,0,0|1,0,2]=4 21 B12R1.43 CN(Cc1ccccc1)C(=S)S P58 [0,1,0,0,0,0|1,1,1]=4 22 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O DPH [0,1,0,0,0,0|0,0,2]=3 23 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O 4LV [0,1,0,0,0,0|0,0,0]=1 24 B12R1.43 c1ccc(cc1)/C=C(/C(=O)O)\N 23F [0,1,0,0,0,0|1,0,0]=2 25 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O 1PY [0,1,0,0,0,0|1,0,1]=3 26 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O PPY [0,1,0,0,0,0|1,0,1]=3 27 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N NFA [0,1,0,0,0,0|1,0,2]=4 28 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)Cl WJ1 [0,1,0,0,0,0|1,0,2]=4 29 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE [0,1,0,0,0,0|1,0,2]=4 30 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE_LFOH [0,1,0,0,0,0|1,0,2]=4 31 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O HFA [0,1,0,0,0,0|1,0,2]=4 32 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LLA [0,1,0,0,0,0|1,0,2]=4 33 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LOF [0,1,0,0,0,0|1,0,2]=4 34 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)[NH-] PHE_LEO2H [0,1,0,0,0,0|1,0,2]=4 35 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH-] PHE_LEO2 [0,1,0,0,0,0|1,0,2]=4 36 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+] PHE_LFZW [0,1,0,0,0,0|1,0,2]=4 37 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl WJ2 [0,1,0,0,0,0|1,0,2]=4 38 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N DPN [0,1,0,0,0,0|1,0,2]=4 39 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O HF2 [0,1,0,0,0,0|1,0,2]=4 40 B12R1.43 c1ccc(cc1)\C=C(\C(=O)O)/F 4LW [0,1,0,0,0,0|1,0,0]=2 41 B12R1.49 c1cc(ccc1C[C@@H](C=O)N)O TYB [0,1,0,0,0,0|1,0,2]=4 42 B12R2.18 CN1Cc2ccccc2C1=O 5WV [0,0,0,1,0,0|1,0,1]=3 43 B12R2.18 Cc1c(n2ccccc2n1)N 7W4 [0,0,0,1,0,0|3,0,0]=4 44 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 ISN [0,0,0,1,0,0|2,0,0]=3 45 B12R2.24 c1cc2cc(ccc2nc1)N ES5 [0,0,0,1,0,0|3,0,0]=4 46 B12R2.24 c1ccc2c(c1)C=CC(=O)N2 OCH [0,0,0,1,0,0|3,0,0]=4 47 B12R2.24 c1ccc2c(c1)C=CC(=O)O2 COU [0,0,0,1,0,0|3,0,0]=4 48 B12R2.24 c1ccc2c(c1)cc(cn2)N 4FS [0,0,0,1,0,0|2,0,0]=3 49 B12R2.24 c1ccc2c(c1)ccc(n2)N 2AQ [0,0,0,1,0,0|3,0,0]=4 50 B12R2.24 c1ccc2cc(ccc2c1)O 03V [0,0,0,1,0,0|2,0,0]=3 51 B10R1.15 CCC(=O)c1ccccc1 I1E [0,0,0,0,1,0|2,0,1]=4 52 B10R1.15 CC[C@@H](C)c1ccccc1 3GY [0,0,0,0,1,0|1,0,2]=4 53 B10R1.15 C[C@H](C=O)c1ccccc1 1LP [0,0,0,0,1,0|0,0,1]=2 54 B10R1.15 c1ccc(cc1)C(=O)CO HXT [0,0,0,0,1,0|1,0,2]=4 55 B10R1.15 c1ccc(cc1)C(=O)NN WM4 [0,0,0,0,1,0|3,0,0]=4 56 B10R1.15 c1ccc(cc1)C(=O)NO BHO [0,0,0,0,1,0|2,0,1]=4 57 B10R1.15 c1ccc(cc1)N(N=O)O CFI [0,0,0,0,1,0|3,0,0]=4 58 B9R0.2 C\C=C\C=C\C=C\C(=O)O OTT [1,0,1,0,0,0|1,0,1]=4 59 B9R1.8 CCCc1ccccc1 3H0 [2,0,0,0,0,0|0,0,2]=4 60 B9R1.8 CCOc1ccccc1 16Q [2,0,0,0,0,0|1,0,1]=4 61 B9R1.8 CCSc1ccccc1 16M [2,0,0,0,0,0|1,0,1]=4 62 B9R1.8 CNCc1ccccc1 271 [2,0,0,0,0,0|1,0,1]=4 63 B9R1.8 CSCc1ccccc1 PTF [2,0,0,0,0,0|1,0,1]=4 64 B9R1.8 c1ccc(cc1)CC=O HY1 [2,0,0,0,0,0|0,0,1]=3 65 B9R1.8 c1ccc(cc1)NC=O FAN [2,0,0,0,0,0|1,0,0]=3 66 B9R1.8 c1ccc(cc1)NC=S 0FI [2,0,0,0,0,0|1,1,0]=4 67 B11R1.1 c1cc(ccc1CNC=O)I BAC [1,1,0,0,0,0|1,0,1]=4 68 B11R1.24 c1cc(cc(c1)N)COC=O MAZ [1,1,0,0,0,0|1,0,1]=4 69 B11R1.28 c1ccc(cc1)CCNC=O EOA [1,1,0,0,0,0|0,0,2]=4 70 B11R1.91 CC(=O)OCc1ccccc1 J0Z [1,1,0,0,0,0|1,0,1]=4 71 B11R1.91 c1ccc(cc1)/C=C/C(=O)O TCA [1,1,0,0,0,0|0,0,0]=2 72 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [1,1,0,0,0,0|0,0,2]=4 73 B11R1.91 c1ccc(cc1)CNC(=O)O PMQ [1,1,0,0,0,0|1,0,1]=4 74 B11R1.91 c1ccc(cc1)COC(=O)Cl PHQ [1,1,0,0,0,0|1,0,1]=4 75 B11R1.91 c1ccc(cc1)COC(=O)O BGG [1,1,0,0,0,0|1,0,1]=4 76 B11R1.91 c1ccc(cc1)OCC(=O)N PO6 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.91 c1ccc(cc1)OCC(=O)O 06Y [1,1,0,0,0,0|1,0,1]=4 78 B11R1.91 c1ccc(cc1)\C=C\C(=O)N DH6 [1,1,0,0,0,0|0,0,0]=2 79 B11R1.91 c1ccc(cc1)\C=C\[N+](=O)[O-] NS8 [1,1,0,0,0,0|1,0,0]=3 80 B11R1.91 c1cnccc1/C=C/C(=O)O XIZ [1,1,0,0,0,0|1,0,0]=3 81 B11R1.20 CC(=O)Nc1ccc(cc1)O NNS [1,1,0,0,0,0|1,0,0]=3 82 B11R1.20 CC(=O)Nc1ccc(cc1)O TYL [1,1,0,0,0,0|1,0,0]=3 83 B11R1.20 c1cc(ccc1CC(=O)O)O 4HP [1,1,0,0,0,0|1,0,1]=4 84 B11R1.36 C[C@H](c1ccccc1)C(=O)O GRO [1,1,0,0,0,0|1,0,1]=4 85 B11R1.36 c1ccc(cc1)C(=O)C(=O)O 173 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N 004 [1,1,0,0,0,0|1,0,1]=4 87 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O SMN [1,1,0,0,0,0|1,0,1]=4 88 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PG9 [1,1,0,0,0,0|1,0,1]=4 89 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PGY [1,1,0,0,0,0|1,0,1]=4 90 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O RMN [1,1,0,0,0,0|1,0,1]=4 91 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)S RTD [1,1,0,0,0,0|1,0,1]=4 92 B11R1.86 c1ccc(c(c1)CC(=O)O)O OHP [1,1,0,0,0,0|1,0,1]=4 93 B11R1.157 CC(=O)Nc1cccc(c1)N N3M [1,1,0,0,0,0|1,0,0]=3 94 B11R1.157 c1cc(cc(c1)O)CC(=O)O 3HP [1,1,0,0,0,0|1,0,1]=4 95 B13R1.152 C[C@H](c1ccccc1)C(=O)C(=O)O 56D [0,2,0,0,0,0|1,0,1]=4 96 B13R1.133 c1cc(ccc1/C=C(\C(=O)[O-])/F)O FHC [0,2,0,0,0,0|1,0,0]=3 97 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)O ENO [0,2,0,0,0,0|1,0,1]=4 98 B13R1.133 c1cc(ccc1\C=C(/C(=O)O)\O)O EN1 [0,2,0,0,0,0|1,0,0]=3 99 B13R1.133 c1cc(ccc1\C=C(/C(=O)O)\S)Cl 2UB [0,2,0,0,0,0|1,0,0]=3 100 B13R1.202 CC(Cc1ccccc1O)C(=O)O OAC [0,2,0,0,0,0|0,0,2]=4 101 B13R1.418 CN[C@@H](Cc1ccccc1)C(=O)O MEA [0,2,0,0,0,0|0,0,2]=4 102 B13R1.418 CN[C@H](Cc1ccccc1)C(=O)O ZAE [0,2,0,0,0,0|0,0,2]=4 103 B13R1.418 c1ccc(cc1)C[C@@H](CI)C(=O)O BIP [0,2,0,0,0,0|0,0,2]=4 104 B13R1.418 c1ccc(cc1)C[C@H](CS)C(=O)O BTP [0,2,0,0,0,0|0,0,2]=4 105 B13R1.418 c1ccc(cc1)C\C(=N/O)\C(=O)O 3CR [0,2,0,0,0,0|1,0,1]=4 106 B11R1.13 Cc1cccc(c1O)CC=C LYL [0,0,1,1,0,0|0,0,2]=4 107 B11R2.1 c1ccc2c(c1)CCC2=O 1ON [1,0,0,1,0,0|0,0,2]=4 108 B11R2.1 c1ccc2c(c1)c[nH]c2N F05 [1,0,0,1,0,0|2,0,0]=4 109 B11R2.20 c1ccc2c(c1)cncn2 QUZ [1,0,0,1,0,0|2,0,0]=4 110 B11R2.20 c1ccc2ccccc2c1 NPY [1,0,0,1,0,0|1,0,0]=3 111 B11R2.20 c1ccc2cnccc2c1 ISQ [1,0,0,1,0,0|2,0,0]=4 112 B11R2.10 Cc1cc2ccccc2[nH]1 2MI [1,0,0,1,0,0|1,0,0]=3 113 B11R2.36 Cc1ccc2c(c1)cc[nH]2 5MI [0,0,0,1,1,0|2,0,0]=4 114 B13R2.10 Cc1c[nH]c(n1)c2ccccc2 7VP [0,0,0,1,0,1|1,0,0]=3 115 B13R2.10 Cc1cc([nH]n1)c2ccccc2 H3R [0,0,0,1,0,1|2,0,0]=4 116 B13R2.32 Cc1cnc2ccccc2c1N 7W1 [0,0,0,1,0,1|1,0,0]=3 117 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)N 2NW [0,0,0,1,0,1|2,0,0]=4 118 B13R2.32 c1ccc2c(c1)ccc(c2O)O D1N [0,0,0,1,0,1|1,0,1]=4 119 B13R2.15 Cc1c(c[nH]n1)c2ccccc2 GVG [0,1,0,1,0,0|2,0,0]=4 120 B13R2.328 CC1=Nc2ccccc2C(=O)N1 MEW [0,1,0,1,0,0|1,0,0]=3 121 B13R2.328 Cc1cc(c2ccccc2n1)N M4A [0,1,0,1,0,0|2,0,0]=4 122 B13R2.328 c1ccc2c(c1)C(=O)NC(=N2)N AQO [0,1,0,1,0,0|2,0,0]=4 123 B13R2.328 c1ccc2c(c1)C(=O)NC(=N2)S D1V [0,1,0,1,0,0|2,0,0]=4 124 B13R2.369 CC1=Cc2ccccc2NC1=O J5I [0,1,0,1,0,0|0,0,0]=2 125 B13R2.369 CN1Cc2ccccc2NC1=O 3PF [0,1,0,1,0,0|1,0,1]=4 126 B13R2.369 C[C@H]1C(=O)Nc2ccccc2N1 5QY [0,1,0,1,0,0|1,0,1]=4 127 B13R2.369 c1ccc2c(c1)C=C(C(=O)N2)O G3E [0,1,0,1,0,0|1,0,0]=3 128 B13R2.369 c1ccc2c(c1)C=C(C(=O)O2)O SE2 [0,1,0,1,0,0|1,0,0]=3 129 B13R2.435 c1ccc2c(c1)CC(C2)C(=O)O 6FZ [0,1,0,1,0,0|0,0,2]=4 130 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(=O)O TRM [0,1,0,1,0,0|2,0,0]=4 131 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O ICB [0,1,0,1,0,0|1,0,0]=3 132 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O BZ2 [0,1,0,1,0,0|1,0,0]=3 133 B13R2.435 c1ccc2c(c1)cc(s2)C(=[NH2+])N ESX [0,1,0,1,0,0|2,0,0]=4 134 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 2HQ [0,1,0,1,0,0|2,0,0]=4 135 B13R2.3683 Cc1ccc2c(c1)C=CC(=O)O2 3AV [0,1,0,1,0,0|2,0,0]=4 136 B13R2.3683 Cc1ccc2cc(ccc2n1)N MQN [0,1,0,1,0,0|2,0,0]=4 137 B13R2.5179 c1cc2cc(ccc2c(c1)O)O DIN [0,1,0,1,0,0|2,0,0]=4 138 B13R2.5179 c1cc2cc(cnc2c(c1)N)O A7W [0,1,0,1,0,0|2,0,0]=4 139 B13R2.162 Cc1ccc2c(c1)C(=O)NC=C2 KUF [0,1,0,1,0,0|2,0,0]=4 140 B9R1.6 CC(=O)c1ccccc1 AC0 [1,0,0,0,1,0|0,0,0]=2 141 B9R1.6 C[C@@H](c1ccccc1)N 98B [1,0,0,0,1,0|1,0,1]=4 142 B9R1.6 C[C@@H](c1ccccc1)O SS1 [1,0,0,0,1,0|0,0,2]=4 143 B9R1.6 C[C@H](c1ccccc1)N QSC [1,0,0,0,1,0|1,0,1]=4 144 B9R1.6 C[C@H](c1ccccc1)O SS2 [1,0,0,0,1,0|0,0,2]=4 145 B9R1.6 N=C(/c1ccccc1)\N BEN [1,0,0,0,1,0|2,0,0]=4 146 B9R1.6 c1cc(cnc1)C(=O)N NCA [1,0,0,0,1,0|2,0,0]=4 147 B9R1.6 c1cc(cnc1)C(=O)O NIO [1,0,0,0,1,0|2,0,0]=4 148 B9R1.6 c1ccc(cc1)C(=N)N BDN [1,0,0,0,1,0|2,0,0]=4 149 B9R1.6 c1ccc(cc1)C(=O)N UNU [1,0,0,0,1,0|1,0,0]=3 150 B9R1.6 c1ccc(cc1)C(=O)O BEZ [1,0,0,0,1,0|1,0,0]=3 151 B9R1.6 c1ccc(cc1)C(=O)O BOX [1,0,0,0,1,0|1,0,0]=3 152 B9R1.6 c1ccc(cc1)C(=[NH2+])N BAM [1,0,0,0,1,0|2,0,0]=4 153 B9R1.6 c1ccc(cc1)[N+](=O)[O-] NBZ [1,0,0,0,1,0|2,0,0]=4 154 B9R1.6 c1ccnc(c1)C(=O)N WM1 [1,0,0,0,1,0|2,0,0]=4 155 B9R1.6 c1ccnc(c1)C(=O)O 6PC [1,0,0,0,1,0|2,0,0]=4