0 B11R1.3 CCc1ccc(cc1)C(=O)O EGM [0,0,0,0,0,0|2,0,0]=2 1 B11R1.3 COc1ccc(cc1)C(=O)O ANN [0,0,0,0,0,0|1,0,0]=1 2 B11R1.3 COc1ccc(cc1)S(=O)=O MSB [0,0,0,0,0,0|2,0,0]=2 3 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] 259 [0,0,0,0,0,0|2,1,0]=3 4 B11R1.3 N=C(/c1ccc(cc1)C=O)\N 4FZ [0,0,0,0,0,0|4,0,0]=4 5 B11R1.3 N=C(/c1ccc(cc1)CO)\N 4BZ [0,0,0,0,0,0|4,0,0]=4 6 B11R1.3 N=C(\c1ccc(cc1)CN)/N 00S [0,0,0,0,0,0|4,0,0]=4 7 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl BE7 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.3 c1cc(ccc1C(=O)O)[Hg]O HGB [0,0,0,0,0,0|3,0,0]=3 9 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] XXH [0,0,0,0,0,0|4,0,0]=4 10 B11R1.3 c1cc(ccc1CBr)C(=O)O 4AY [0,0,0,0,0,0|3,0,0]=3 11 B11R1.3 c1cc(ccc1CN)C(=O)O 4AZ [0,0,0,0,0,0|3,0,0]=3 12 B11R1.3 c1cc(ccc1CN)[N+](=O)[O-] PNZ [0,0,0,0,0,0|4,0,0]=4 13 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] BPN [0,0,0,0,0,0|4,0,0]=4 14 B11R1.3 c1cc(ccc1CS)[N+](=O)O 4NM [0,0,0,0,0,0|4,0,0]=4 15 B11R1.3 c1cc(ccc1NN)[N+](=O)[O-] PND [0,0,0,0,0,0|4,0,0]=4 16 B10R1.3 COc1ccc(cc1)CN PZM [1,0,0,0,0,0|1,0,1]=3 17 B10R1.13 CC(=O)c1ccc(cc1)Br PBP [1,0,0,0,0,0|1,0,0]=2 18 B10R1.13 CC(=O)c1ccc(cc1)O AC6 [1,0,0,0,0,0|0,0,0]=1 19 B10R1.13 CC(C)c1ccc(cc1)N ISO [1,0,0,0,0,0|2,0,1]=4 20 B10R1.13 Cc1ccc(cc1)C(=O)O 4MA [1,0,0,0,0,0|1,0,0]=2 21 B10R1.13 Cc1ccc(cc1)C(C)C MML [1,0,0,0,0,0|1,0,1]=3 22 B10R1.13 Cc1ccc(cc1)[S@@](=O)O TOS [1,0,0,0,0,0|2,0,0]=3 23 B10R1.13 c1cc(ccc1C(=O)N)O HBD [1,0,0,0,0,0|1,0,0]=2 24 B10R1.13 c1cc(ccc1C(=O)O)Br Z82 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.13 c1cc(ccc1C(=O)O)Cl 174 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.13 c1cc(ccc1C(=O)O)F 1Y6 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.13 c1cc(ccc1C(=O)O)N PAB [1,0,0,0,0,0|2,0,0]=3 28 B10R1.13 c1cc(ccc1C(=O)O)O PHB [1,0,0,0,0,0|1,0,0]=2 29 B10R1.13 c1cc(ccc1C(=O)O)[Hg] MBO [1,0,0,0,0,0|2,0,0]=3 30 B10R1.13 c1cc(ccc1C(=[NH2+])N)N PBZ [1,0,0,0,0,0|3,0,0]=4 31 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] NIT [1,0,0,0,0,0|3,0,0]=4 32 B10R1.13 c1cc(ccc1[N+](=O)[O-])O NPO [1,0,0,0,0,0|2,0,0]=3 33 B10R1.13 c1cc(ncc1C(=O)N)N 4FG [1,0,0,0,0,0|3,0,0]=4 34 B12R1.5 CCc1ccc(cc1)C(=O)CC I3E [0,1,0,0,0,0|1,0,0]=2 35 B12R1.6 CCc1ccc(cc1)S(=O)(=O)N 4JC [0,1,0,0,0,0|3,0,0]=4 36 B12R1.6 COc1ccc(cc1)S(=O)(=O)N M4S [0,1,0,0,0,0|2,0,0]=3 37 B12R1.6 COc1ccc(cc1)S(=O)(=O)O 4OS [0,1,0,0,0,0|2,0,0]=3 38 B12R1.113 c1cc(ccc1CCN)[S@@](=O)O 2AB [0,1,0,0,0,0|3,0,0]=4 39 B12R1.256 B(c1ccc(cc1)C(=O)O)(O)O 4CB [0,1,0,0,0,0|3,0,0]=4 40 B12R1.256 CN(C)c1ccc(cc1)C(=O)O XP1 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.256 CN(C)c1ccc(cn1)C(=O)O 46L [0,1,0,0,0,0|3,0,0]=4 42 B12R1.256 N=C(\c1ccc(cc1)C(=O)O)/N 65K [0,1,0,0,0,0|3,0,0]=4 43 B12R1.256 c1cc(ccc1C(=O)O)[N+](=O)[O-] 4NB [0,1,0,0,0,0|3,0,0]=4 44 B12R1.4 COc1ccc(cc1)CC(=O)N ZHZ [0,0,0,0,0,1|1,0,0]=2 45 B9R1.1 C=Cc1ccc(cc1)O 4VP [2,0,0,0,0,0|0,0,1]=3 46 B9R1.1 CCc1ccc(cc1)O ETY [2,0,0,0,0,0|0,0,1]=3 47 B9R1.1 COc1ccc(cc1)Br BOP [2,0,0,0,0,0|1,0,0]=3 48 B9R1.1 COc1ccc(cc1)O 4KS [2,0,0,0,0,0|0,0,1]=3 49 B9R1.1 CSc1ccc(cc1)N 4JM [2,0,0,0,0,0|1,1,0]=4 50 B9R1.1 Cc1ccc(cc1)CN 02N [2,0,0,0,0,0|1,0,1]=4 51 B9R1.1 c1cc(ccc1C#N)O H8N [2,0,0,0,0,0|1,0,1]=4 52 B9R1.1 c1cc(ccc1C=O)O HBA [2,0,0,0,0,0|0,0,0]=2 53 B9R1.6 CC(=O)c1ccccc1 AC0 [2,0,0,0,0,0|0,0,0]=2 54 B9R1.6 C[C@@H](c1ccccc1)N 98B [2,0,0,0,0,0|1,0,1]=4 55 B9R1.6 C[C@@H](c1ccccc1)O SS1 [2,0,0,0,0,0|0,0,2]=4 56 B9R1.6 C[C@H](c1ccccc1)N QSC [2,0,0,0,0,0|1,0,1]=4 57 B9R1.6 C[C@H](c1ccccc1)O SS2 [2,0,0,0,0,0|0,0,2]=4 58 B9R1.6 N=C(/c1ccccc1)\N BEN [2,0,0,0,0,0|2,0,0]=4 59 B9R1.6 c1cc(cnc1)C(=O)N NCA [2,0,0,0,0,0|2,0,0]=4 60 B9R1.6 c1cc(cnc1)C(=O)O NIO [2,0,0,0,0,0|2,0,0]=4 61 B9R1.6 c1ccc(cc1)C(=N)N BDN [2,0,0,0,0,0|2,0,0]=4 62 B9R1.6 c1ccc(cc1)C(=O)N UNU [2,0,0,0,0,0|1,0,0]=3 63 B9R1.6 c1ccc(cc1)C(=O)O BEZ [2,0,0,0,0,0|1,0,0]=3 64 B9R1.6 c1ccc(cc1)C(=O)O BOX [2,0,0,0,0,0|1,0,0]=3 65 B9R1.6 c1ccc(cc1)C(=[NH2+])N BAM [2,0,0,0,0,0|2,0,0]=4 66 B9R1.6 c1ccc(cc1)[N+](=O)[O-] NBZ [2,0,0,0,0,0|2,0,0]=4 67 B9R1.6 c1ccnc(c1)C(=O)N WM1 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.6 c1ccnc(c1)C(=O)O 6PC [2,0,0,0,0,0|2,0,0]=4 69 B11R1.83 COc1ccc(cc1)CCN ZHH [1,1,0,0,0,0|0,0,1]=3 70 B11R1.279 COc1ccc(c(c1)O)CN HV7 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.279 COc1ccc(cc1O)CN 47G [1,1,0,0,0,0|1,0,1]=4 72 B11R1.279 COc1ccc(cc1O)CO 2A9 [1,1,0,0,0,0|0,0,2]=4 73 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N 4J8 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TSU [1,1,0,0,0,0|2,0,0]=4 75 B11R1.21 Cc1c(cc(cn1)C(=O)O)O 3HM [1,1,0,0,0,0|2,0,0]=4 76 B11R1.21 Cc1cc(ccc1Br)C(=O)O 0GF [1,1,0,0,0,0|2,0,0]=4 77 B11R1.21 Cc1cc(ccc1O)C(=O)C YTP [1,1,0,0,0,0|0,0,0]=2 78 B11R1.21 Cc1ccc(cc1O)C(=C)C 0WV [1,1,0,0,0,0|1,0,0]=3 79 B11R1.21 N=C(\c1ccc(c(c1)F)C)/N JLZ [1,1,0,0,0,0|2,0,0]=4 80 B11R1.21 c1cc([n+](cc1C(=O)O)[O-])O NNO [1,1,0,0,0,0|2,0,0]=4 81 B11R1.21 c1cc(c(cc1C(=O)N)F)F 2HO [1,1,0,0,0,0|2,0,0]=4 82 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl 34Z [1,1,0,0,0,0|2,0,0]=4 83 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O CHB [1,1,0,0,0,0|1,0,0]=3 84 B11R1.21 c1cc(c(cc1C(=O)O)F)O FHB [1,1,0,0,0,0|1,0,0]=3 85 B11R1.21 c1cc(c(cc1C(=O)O)I)O IHB [1,1,0,0,0,0|1,0,0]=3 86 B11R1.21 c1cc(c(cc1C(=O)O)O)N 4A3 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.21 c1cc(c(cc1C(=O)O)O)O DHB [1,1,0,0,0,0|1,0,0]=3 88 B11R1.21 c1cc(c(cc1N(=O)=O)Cl)O P9P [1,1,0,0,0,0|2,0,0]=4 89 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O 4NC [1,1,0,0,0,0|2,0,0]=4 90 B11R1.22 COC(=O)c1ccc(cc1)O MPB [1,1,0,0,0,0|0,0,0]=2 91 B11R1.22 c1cc(ccc1C(=O)CN)Br 47A [1,1,0,0,0,0|1,0,0]=3 92 B11R1.22 c1cc(ccc1C(=O)NN)O HDH [1,1,0,0,0,0|1,0,0]=3 93 B11R1.22 c1cc(ccc1[C@@H](CN)O)O OTS [1,1,0,0,0,0|0,0,2]=4 94 B11R1.22 c1cc(ccc1[C@H](CN)O)O OTR [1,1,0,0,0,0|0,0,2]=4 95 B11R1.166 Cc1ccc(c(c1)N)C(=O)O 4M0 [1,1,0,0,0,0|1,0,0]=3 96 B11R1.166 Cc1ccc(c(c1)O)C(C)C IPB [1,1,0,0,0,0|1,0,1]=4 97 B11R1.166 c1cc(c(cc1F)N)C(=O)O FA0 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.166 c1cc(c(cc1N)O)C(=O)O BHA [1,1,0,0,0,0|2,0,0]=4 99 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] FNN [1,1,0,0,0,0|2,0,0]=4 100 B11R1.166 c1cc(c(cc1O)O)C(=O)O DOB [1,1,0,0,0,0|1,0,0]=3 101 B13R1.142 CCOc1ccc(cc1)CC(=O)O YI6 [0,1,0,0,0,1|1,0,0]=3 102 B13R1.142 CCOc1ccc(cc1)NC(=O)C N4E [0,1,0,0,0,1|0,0,0]=2 103 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)O TYZ [0,1,0,0,0,1|2,0,0]=4 104 B13R1.452 CCOC(=O)c1ccc(cc1)CN 78B [0,2,0,0,0,0|2,0,0]=4 105 B13R1.537 CN(C)c1ccc(cc1)C(=O)NN 601 [0,2,0,0,0,0|2,0,0]=4 106 B13R1.38 COc1ccc(cc1Cl)S(=O)(=O)O BSZ [0,2,0,0,0,0|2,0,0]=4 107 B13R1.140 CCOc1ccc(cc1)S(=O)(=O)N 3W8 [0,2,0,0,0,0|2,0,0]=4 108 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)O 5R0 [0,2,0,0,0,0|2,0,0]=4 109 B13R1.144 c1cc(c(cc1C(=O)O)Cl)CCN FE3 [0,2,0,0,0,0|2,0,0]=4 110 B13R1.3091 COc1ccc(cc1OC)C(=O)O TWO [0,2,0,0,0,0|1,0,0]=3 111 B13R2.2121 COc1ccc2c(c1)sc(n2)N 94W [0,0,0,1,0,1|1,1,0]=4 112 B13R2.430 c1cc2c(cc1C(=O)O)CCO2 3A9 [0,1,0,1,0,0|1,0,0]=3 113 B13R2.430 c1cc2c(cc1C(=O)O)OCO2 0HN [0,1,0,1,0,0|1,0,0]=3 114 B13R2.428 c1cc(ccc1[C@@H]2CO2)[N+](=O)[O-] RNO [0,1,0,1,0,0|2,0,0]=4 115 B13R2.428 c1cc(ccc1[C@H]2CO2)[N+](=O)[O-] SNO [0,1,0,1,0,0|2,0,0]=4 116 B9R1.35 Cc1ccc([nH]1)C(=O)O 5M1 [1,0,0,0,1,0|2,0,0]=4 117 B9R1.35 Cc1ccc(o1)C(=O)O 2K1 [1,0,0,0,1,0|2,0,0]=4 118 B11R1.20 CC(=O)Nc1ccc(cc1)O NNS [1,0,0,0,0,1|0,0,0]=2 119 B11R1.20 CC(=O)Nc1ccc(cc1)O TYL [1,0,0,0,0,1|0,0,0]=2 120 B11R1.20 C[C@H](Cc1ccc(cc1)O)N AEG [1,0,0,0,0,1|1,0,1]=4 121 B11R1.20 c1cc(ccc1CC(=O)O)O 4HP [1,0,0,0,0,1|1,0,0]=3 122 B11R1.266 COc1cccc(c1)C(=O)N 3MB [0,0,0,0,1,1|1,0,0]=3 123 B13R1.3 COc1ccc(cc1)CCC(=O)O ZGC [0,0,0,0,0,2|1,0,0]=3