0 B11R1.167 Cc1ccc(c(c1)C(=O)O)N 5M0 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.167 Cc1ccc(c(c1)C(=O)O)O 54G [0,0,0,0,0,0|1,0,0]=1 2 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])O NCR [0,0,0,0,0,0|2,0,0]=2 3 B11R1.167 c1cc(c(cc1Br)C(=O)O)N SX1 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.167 c1cc(c(cc1Cl)C(=O)N)N 5MK [0,0,0,0,0,0|3,0,0]=3 5 B11R1.167 c1cc(c(cc1F)C(=O)O)N 5RG [0,0,0,0,0,0|3,0,0]=3 6 B11R1.167 c1cc(c(cc1O)C(=O)O)O GTQ [0,0,0,0,0,0|2,0,0]=2 7 B11R1.167 c1cc(c(cc1[AsH2])[N+](=O)[O-])O RXO [0,0,0,0,0,0|3,0,0]=3 8 B10R1.30 COC1=CC(=O)C=CC1=O MCW [1,0,0,0,0,0|2,0,1]=4 9 B10R1.30 COc1cc(ccc1O)Br 3Z7 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.30 Cc1ccc(c(n1)CO)O LA7 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.30 c1cc(c(cc1Cl)C#N)O 4ZC [1,0,0,0,0,0|2,0,1]=4 12 B10R1.30 c1cc(c(cc1O)C=O)Br 1DW [1,0,0,0,0,0|2,0,0]=3 13 B10R1.61 C1=CNC(=O)C(=C1)C(=O)O ES6 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.61 CC(=O)c1ccccc1N VNJ [1,0,0,0,0,0|1,0,0]=2 15 B10R1.61 CC(C)c1ccccc1O IP0 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.61 Cc1ccccc1C(=O)O 3SK [1,0,0,0,0,0|2,0,0]=3 17 B10R1.61 c1cc(c(nc1)C(=O)O)O MHW [1,0,0,0,0,0|2,0,0]=3 18 B10R1.61 c1cc(c(nc1)C(=O)O)S 1WD [1,0,0,0,0,0|2,1,0]=4 19 B10R1.61 c1ccc(c(c1)C(=O)N)N 2AE [1,0,0,0,0,0|2,0,0]=3 20 B10R1.61 c1ccc(c(c1)C(=O)N)O OHB [1,0,0,0,0,0|1,0,0]=2 21 B10R1.61 c1ccc(c(c1)C(=O)O)F 3U4 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.61 c1ccc(c(c1)C(=O)O)N 6AB [1,0,0,0,0,0|2,0,0]=3 23 B10R1.61 c1ccc(c(c1)C(=O)O)N BE2 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.61 c1ccc(c(c1)C(=O)O)O SAL [1,0,0,0,0,0|1,0,0]=2 25 B10R1.61 c1ccc(c(c1)C(=O)O)S JKE [1,0,0,0,0,0|1,1,0]=3 26 B10R1.61 c1ccc(c(c1)[N+](=O)O)O CG3 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O OPO [1,0,0,0,0,0|2,0,0]=3 28 B10R1.61 c1cncc(c1C(=O)O)N 4SV [1,0,0,0,0,0|3,0,0]=4 29 B10R1.113 CC(=O)c1cccc(c1)N 3AO [1,0,0,0,0,0|1,0,0]=2 30 B10R1.113 CC(=O)c1cccc(c1)O 53C [1,0,0,0,0,0|1,0,0]=2 31 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] 3NT [1,0,0,0,0,0|2,0,0]=3 32 B10R1.113 c1c(cncc1Br)C(=O)N BRT [1,0,0,0,0,0|3,0,0]=4 33 B10R1.113 c1c(cncc1O)C(=O)O 5HN [1,0,0,0,0,0|3,0,0]=4 34 B10R1.113 c1cc(cc(c1)Cl)C(=O)N WCE [1,0,0,0,0,0|2,0,0]=3 35 B10R1.113 c1cc(cc(c1)Cl)C(=O)O 3BZ [1,0,0,0,0,0|2,0,0]=3 36 B10R1.113 c1cc(cc(c1)N)C(=O)N 3AB [1,0,0,0,0,0|2,0,0]=3 37 B10R1.113 c1cc(cc(c1)N)C(=O)O GAB [1,0,0,0,0,0|2,0,0]=3 38 B10R1.113 c1cc(cc(c1)O)C(=O)O 3HB [1,0,0,0,0,0|2,0,0]=3 39 B10R1.113 c1cc(nc(c1)O)C(=O)O 53B [1,0,0,0,0,0|3,0,0]=4 40 B12R1.128 CC(C)(C)c1cc(ccc1O)O EYK [0,1,0,0,0,0|2,0,1]=4 41 B12R1.128 c1cc(c(cc1O)S(=O)(=O)O)O DBX [0,1,0,0,0,0|3,0,0]=4 42 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O 4Z4 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.453 CSc1ccc(c(c1)C(=O)O)O 3R6 [0,1,0,0,0,0|1,0,0]=2 44 B12R1.511 Cc1cc(c(c(c1)C(=O)O)N)C 14B [0,1,0,0,0,0|2,0,0]=3 45 B12R1.511 c1c(cc(c(c1C(=O)O)I)I)I B3I [0,1,0,0,0,0|3,0,0]=4 46 B12R1.511 c1c(cc(c(c1C(=O)O)O)Cl)Cl C2U [0,1,0,0,0,0|2,0,0]=3 47 B12R1.511 c1c(cc(c(c1C(=O)O)O)I)I DIU [0,1,0,0,0,0|2,0,0]=3 48 B12R1.894 c1cc(c(c(c1Cl)C(=O)O)O)Cl HXX [0,1,0,0,0,0|3,0,0]=4 49 B12R2.132 c1cc2c(cc1Cl)C(=O)NC2 1P7 [0,0,0,1,0,0|3,0,0]=4 50 B12R1.127 C1=CC(=O)C=C([C@H]1O)CC(=O)O HQ9 [0,0,0,0,0,1|2,0,1]=4 51 B12R1.127 c1cc(c(cc1O)CC(=O)O)O OMD [0,0,0,0,0,1|2,0,0]=3 52 B9R0.2 C\C=C\C=C\C=C\C(=O)O OTT [1,0,1,0,0,0|2,0,0]=4 53 B9R1.2 Cc1cccc(c1)C#N 2HT [2,0,0,0,0,0|1,0,1]=4 54 B9R1.2 Cc1cccc(c1)CN ZF0 [2,0,0,0,0,0|1,0,1]=4 55 B9R1.15 CCc1ccccc1O JZ1 [2,0,0,0,0,0|0,0,1]=3 56 B9R1.15 COc1ccccc1O JZ3 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.15 c1ccc(c(c1)C#N)O 0R0 [2,0,0,0,0,0|1,0,1]=4 58 B9R1.15 c1ccc(c(c1)C=O)O NK [2,0,0,0,0,0|0,0,0]=2 59 B9R1.15 c1ccc(c(c1)CO)O SA9 [2,0,0,0,0,0|0,0,2]=4 60 B9R1.69 CC1=CC(=O)N(C=C1)O 4HO [2,0,0,0,0,0|1,0,0]=3 61 B9R1.69 CC1=CC(=S)C(=CO1)O TM7 [2,0,0,0,0,0|1,1,0]=4 62 B9R1.69 CC1=CC(=S)N(C=C1)O 2YU [2,0,0,0,0,0|1,1,0]=4 63 B9R1.69 Cc1cc(ccc1Cl)O 43M [2,0,0,0,0,0|2,0,0]=4 64 B9R1.69 Cc1cc(ccc1O)N 4ZE [2,0,0,0,0,0|1,0,0]=3 65 B9R1.69 Cc1ccc(c(c1)C)C XBZ [2,0,0,0,0,0|1,0,0]=3 66 B9R1.69 Cc1ccc(c(c1)C)N 51S [2,0,0,0,0,0|1,0,0]=3 67 B9R1.69 Cc1ccc(c(c1)N)C XYD [2,0,0,0,0,0|2,0,0]=4 68 B9R1.69 Cc1ccc(c(c1)N)O 2AC [2,0,0,0,0,0|1,0,0]=3 69 B9R1.69 Cc1ccc(c(c1)O)O MCT [2,0,0,0,0,0|0,0,1]=3 70 B9R1.69 Cc1ccc(c(c1)S)O HT4 [2,0,0,0,0,0|0,1,0]=3 71 B9R1.69 Cc1ccc(c(c1)S)S TLD [2,0,0,0,0,0|0,2,0]=4 72 B9R1.69 Cc1ccc(cc1C)N 34A [2,0,0,0,0,0|2,0,0]=4 73 B9R1.69 Cc1ccc(cc1C)O 2MP [2,0,0,0,0,0|2,0,0]=4 74 B9R1.69 c1cc(c(cc1Cl)Cl)O 5JC [2,0,0,0,0,0|2,0,0]=4 75 B9R1.69 c1cc(c(cc1Cl)O)O 4CL [2,0,0,0,0,0|1,0,1]=4 76 B9R1.69 c1cc(c(cc1F)O)O 3N8 [2,0,0,0,0,0|1,0,1]=4 77 B9R1.69 c1cc(c(cc1O)O)O HQN [2,0,0,0,0,0|1,0,1]=4 78 B9R1.6 CC(=O)c1ccccc1 AC0 [2,0,0,0,0,0|0,0,0]=2 79 B9R1.6 C[C@@H](c1ccccc1)N 98B [2,0,0,0,0,0|1,0,1]=4 80 B9R1.6 C[C@@H](c1ccccc1)O SS1 [2,0,0,0,0,0|0,0,2]=4 81 B9R1.6 C[C@H](c1ccccc1)N QSC [2,0,0,0,0,0|1,0,1]=4 82 B9R1.6 C[C@H](c1ccccc1)O SS2 [2,0,0,0,0,0|0,0,2]=4 83 B9R1.6 N=C(/c1ccccc1)\N BEN [2,0,0,0,0,0|2,0,0]=4 84 B9R1.6 c1cc(cnc1)C(=O)N NCA [2,0,0,0,0,0|2,0,0]=4 85 B9R1.6 c1cc(cnc1)C(=O)O NIO [2,0,0,0,0,0|2,0,0]=4 86 B9R1.6 c1ccc(cc1)C(=N)N BDN [2,0,0,0,0,0|2,0,0]=4 87 B9R1.6 c1ccc(cc1)C(=O)N UNU [2,0,0,0,0,0|1,0,0]=3 88 B9R1.6 c1ccc(cc1)C(=O)O BEZ [2,0,0,0,0,0|1,0,0]=3 89 B9R1.6 c1ccc(cc1)C(=O)O BOX [2,0,0,0,0,0|1,0,0]=3 90 B9R1.6 c1ccc(cc1)C(=[NH2+])N BAM [2,0,0,0,0,0|2,0,0]=4 91 B9R1.6 c1ccc(cc1)[N+](=O)[O-] NBZ [2,0,0,0,0,0|2,0,0]=4 92 B9R1.6 c1ccnc(c1)C(=O)N WM1 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.6 c1ccnc(c1)C(=O)O 6PC [2,0,0,0,0,0|2,0,0]=4 94 B11R1.280 COc1cc(ccc1O)C=C 4M4 [1,1,0,0,0,0|1,0,1]=4 95 B11R1.280 COc1cc(ccc1O)C=O V55 [1,1,0,0,0,0|1,0,1]=4 96 B11R1.280 COc1cc(ccc1O)OO 4HM [1,1,0,0,0,0|2,0,0]=4 97 B11R1.280 COc1ccc(c(c1)C=O)O 7WQ [1,1,0,0,0,0|0,0,0]=2 98 B11R1.53 COc1ccccc1C(=O)O 71F [1,1,0,0,0,0|1,0,0]=3 99 B11R1.156 Cc1cccc(c1C(=O)O)N 6M1 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N 6F0 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O GRE [1,1,0,0,0,0|1,0,0]=3 102 B11R1.156 c1cc(c(c(c1)O)[N+](=O)[O-])O 38L [1,1,0,0,0,0|2,0,0]=4 103 B11R1.159 Cc1c(cccc1O)C(=O)O PF0 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.159 Cc1cccc(c1N)C(=O)O 3M0 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O 3F0 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O 1CW [1,1,0,0,0,0|1,0,0]=3 107 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O 3HA [1,1,0,0,0,0|2,0,0]=4 108 B11R1.159 c1cc(c(c(c1)O)O)C(=O)N DB1 [1,1,0,0,0,0|1,0,0]=3 109 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O DBH [1,1,0,0,0,0|1,0,0]=3 110 B11R1.166 Cc1ccc(c(c1)N)C(=O)O 4M0 [1,1,0,0,0,0|2,0,0]=4 111 B11R1.166 Cc1ccc(c(c1)O)C(C)C IPB [1,1,0,0,0,0|1,0,1]=4 112 B11R1.166 c1cc(c(cc1F)N)C(=O)O FA0 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.166 c1cc(c(cc1N)O)C(=O)O BHA [1,1,0,0,0,0|1,0,0]=3 114 B11R1.166 c1cc(c(cc1O)O)C(=O)O DOB [1,1,0,0,0,0|1,0,0]=3 115 B11R1.222 CNC(=O)c1ccccc1I N1M [1,1,0,0,0,0|1,0,0]=3 116 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl 5G1 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.222 c1ccc(c(c1)C(=O)NO)O SHA [1,1,0,0,0,0|1,0,0]=3 118 B11R1.21 Cc1cc(ccc1Br)C(=O)O 0GF [1,1,0,0,0,0|1,0,0]=3 119 B11R1.21 Cc1cc(ccc1O)C(=O)C YTP [1,1,0,0,0,0|0,0,0]=2 120 B11R1.21 Cc1ccc(cc1O)C(=C)C 0WV [1,1,0,0,0,0|2,0,0]=4 121 B11R1.21 c1cc(c(cc1C(=O)N)F)F 2HO [1,1,0,0,0,0|2,0,0]=4 122 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl 34Z [1,1,0,0,0,0|2,0,0]=4 123 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O CHB [1,1,0,0,0,0|2,0,0]=4 124 B11R1.21 c1cc(c(cc1C(=O)O)F)O FHB [1,1,0,0,0,0|2,0,0]=4 125 B11R1.21 c1cc(c(cc1C(=O)O)I)O IHB [1,1,0,0,0,0|2,0,0]=4 126 B11R1.21 c1cc(c(cc1C(=O)O)O)N 4A3 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.21 c1cc(c(cc1C(=O)O)O)O DHB [1,1,0,0,0,0|2,0,0]=4 128 B11R1.23 Cc1cccc(c1)C(=O)NN 45L [1,1,0,0,0,0|1,0,0]=3 129 B11R1.23 c1cc(cc(c1)O)C(=O)NO 069 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.74 c1c(cc(cc1O)O)C(=O)O 34D [1,1,0,0,0,0|2,0,0]=4 131 B11R1.266 COc1cccc(c1)C(=O)N 3MB [1,1,0,0,0,0|1,0,0]=3 132 B11R1.266 c1cc(cc(c1)C(=O)O)CN 3AZ [1,1,0,0,0,0|1,0,0]=3 133 B13R1.3089 COc1ccc(cc1CC(=O)O)Br IRA [0,1,0,0,0,1|2,0,0]=4 134 B13R1.13 c1cc(c(cc1[N+](=O)[O-])C(=O)O)O 6R7 [0,2,0,0,0,0|2,0,0]=4 135 B11R2.36 Cc1ccc2c(c1)cc[nH]2 5MI [1,0,0,1,0,0|1,0,1]=4 136 B11R2.36 c1cc2c(cc1O)OCO2 BZX [1,0,0,1,0,0|2,0,0]=4 137 B11R2.1 Cc1c2ccccc2n[nH]1 0RW [1,0,0,1,0,0|2,0,0]=4 138 B11R2.1 c1ccc2c(c1)CCC2=O 1ON [1,0,0,1,0,0|1,0,0]=3 139 B11R2.1 c1ccc2c(c1)c(no2)N HLR [1,0,0,1,0,0|2,0,0]=4 140 B13R2.155 c1cc2c(cc1Br)NC(=O)CN2 5GU [0,0,0,1,0,1|2,0,0]=4 141 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 KJU [0,0,0,1,0,1|1,0,0]=3 142 B13R2.162 Cc1ccc2c(c1)C(=O)NC=C2 KUF [0,1,0,1,0,0|1,0,1]=4 143 B13R2.162 c1cc2c(cc1Cl)C(=O)NCC2 3Z8 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.35 Cc1ccc([nH]1)C(=O)O 5M1 [1,0,0,0,1,0|2,0,0]=4 145 B9R1.35 Cc1ccc(o1)C(=O)O 2K1 [1,0,0,0,1,0|2,0,0]=4 146 B11R1.157 CC(=O)Nc1cccc(c1)N N3M [1,0,0,0,0,1|1,0,0]=3 147 B11R1.157 c1cc(cc(c1)O)CC(=O)O 3HP [1,0,0,0,0,1|2,0,0]=4