0 B12R1.125 Cc1ccccc1CCC(=O)O 02Q [0,0,0,0,0,0|1,0,2]=3 1 B12R1.125 c1ccc(c(c1)/C=C/C(=O)O)O 2HC [0,0,0,0,0,0|0,0,0]=0 2 B12R1.125 c1ccc(c(c1)\C=C\[N+](=O)[O-])O P7Y [0,0,0,0,0,0|1,0,1]=2 3 B11R1.91 CC(=O)OCc1ccccc1 J0Z [1,0,0,0,0,0|2,0,1]=4 4 B11R1.91 c1ccc(cc1)/C=C/C(=O)O TCA [1,0,0,0,0,0|0,0,0]=1 5 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [1,0,0,0,0,0|0,0,2]=3 6 B11R1.91 c1ccc(cc1)CNC(=O)O PMQ [1,0,0,0,0,0|1,0,1]=3 7 B11R1.91 c1ccc(cc1)COC(=O)Cl PHQ [1,0,0,0,0,0|2,0,1]=4 8 B11R1.91 c1ccc(cc1)COC(=O)O BGG [1,0,0,0,0,0|1,0,1]=3 9 B11R1.91 c1ccc(cc1)OCC(=O)N PO6 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.91 c1ccc(cc1)OCC(=O)O 06Y [1,0,0,0,0,0|1,0,1]=3 11 B11R1.91 c1ccc(cc1)\C=C\C(=O)N DH6 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.91 c1ccc(cc1)\C=C\[N+](=O)[O-] NS8 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.91 c1cnccc1/C=C/C(=O)O XIZ [1,0,0,0,0,0|1,0,0]=2 14 B13R1.164 c1cc(c(cc1Cl)Cl)OCC(=O)O CFA [0,1,0,0,0,0|2,0,1]=4 15 B13R1.164 c1cc(c(cc1Cl)Cl)\C=C\C(=O)O 5OO [0,1,0,0,0,0|1,0,0]=2 16 B13R1.164 c1cc(c(cc1O)O)/C=C/C(=O)O SN1 [0,1,0,0,0,0|0,0,0]=1 17 B13R1.201 c1ccc(c(c1)C(=O)CC(=O)O)N 61M [0,1,0,0,0,0|1,0,1]=3 18 B13R1.202 CC(Cc1ccccc1O)C(=O)O OAC [0,1,0,0,0,0|0,0,2]=3 19 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)Br 6DU [0,1,0,0,0,0|1,0,2]=4 20 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)Cl 2L5 [0,1,0,0,0,0|1,0,2]=4 21 B13R1.3787 Cc1cccc(c1OCC(=O)O)C DBA [0,1,0,0,0,0|2,0,1]=4 22 B13R1.3787 c1cc(c(c(c1)Cl)OCC(=O)O)Cl KNL [0,1,0,0,0,0|2,0,1]=4 23 B13R1.3787 c1cc(c(c(c1)F)OCC(=O)O)F KNP [0,1,0,0,0,0|2,0,1]=4 24 B13R2.435 B(c1cc2ccccc2s1)(O)O BZB [0,0,0,1,0,0|1,1,1]=4 25 B13R2.435 c1ccc2c(c1)CC(C2)C(=O)O 6FZ [0,0,0,1,0,0|1,0,2]=4 26 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(=O)O TRM [0,0,0,1,0,0|2,0,0]=3 27 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O ICB [0,0,0,1,0,0|1,0,0]=2 28 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O BZ2 [0,0,0,1,0,0|0,0,0]=1 29 B13R2.435 c1ccc2c(c1)cc(s2)C(=[NH2+])N ESX [0,0,0,1,0,0|2,1,0]=4 30 B13R2.5179 c1cc2c(ccnc2cc1Cl)O MRW [0,0,0,1,0,0|3,0,0]=4 31 B13R2.5179 c1cc2cc(ccc2c(c1)O)O DIN [0,0,0,1,0,0|1,0,0]=2 32 B13R2.5179 c1cc2cc(cnc2c(c1)N)O A7W [0,0,0,1,0,0|3,0,0]=4 33 B11R1.86 c1ccc(c(c1)CC(=O)O)O OHP [0,0,0,0,1,0|0,0,1]=2 34 B10R1.4 C=CCc1ccccc1O 2LP [2,0,0,0,0,0|0,0,1]=3 35 B10R1.17 c1ccc(cc1)CCC=O 3PL [2,0,0,0,0,0|0,0,2]=4 36 B10R1.17 c1ccc(cc1)CNC=O BNF [2,0,0,0,0,0|1,0,1]=4 37 B10R1.17 c1ccc(cc1)COC=O BZO [2,0,0,0,0,0|1,0,1]=4 38 B10R1.17 c1ccc(cc1)COC=O CBZ [2,0,0,0,0,0|1,0,1]=4 39 B12R1.21 Cc1ccc(cc1)CCC(=O)O PPT [1,1,0,0,0,0|0,0,2]=4 40 B12R1.21 c1c(cnc(n1)N)/C=C/C(=O)O XJ0 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.21 c1cc(ccc1/C=C/C(=O)O)O HC4 [1,1,0,0,0,0|0,0,0]=2 42 B12R1.21 c1cc(ccc1CCC(=O)O)Cl S0W [1,1,0,0,0,0|0,0,2]=4 43 B12R1.21 c1cc(ccc1CCC(=O)O)N AHC [1,1,0,0,0,0|0,0,2]=4 44 B12R1.21 c1cc(ccc1CCC(=O)O)O HPP [1,1,0,0,0,0|0,0,2]=4 45 B12R1.21 c1cc(ccc1\C=C\[N+](=O)[O-])O P81 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O DPH [1,1,0,0,0,0|0,0,2]=4 47 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O 4LV [1,1,0,0,0,0|0,0,0]=2 48 B12R1.43 c1ccc(cc1)/C=C(/C(=O)O)\N 23F [1,1,0,0,0,0|0,0,0]=2 49 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O 1PY [1,1,0,0,0,0|0,0,1]=3 50 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O PPY [1,1,0,0,0,0|0,0,1]=3 51 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)Cl WJ1 [1,1,0,0,0,0|0,0,2]=4 52 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE [1,1,0,0,0,0|0,0,2]=4 53 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE_LFOH [1,1,0,0,0,0|0,0,2]=4 54 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O HFA [1,1,0,0,0,0|0,0,2]=4 55 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LLA [1,1,0,0,0,0|0,0,2]=4 56 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LOF [1,1,0,0,0,0|0,0,2]=4 57 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)[NH-] PHE_LEO2H [1,1,0,0,0,0|0,0,2]=4 58 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl WJ2 [1,1,0,0,0,0|0,0,2]=4 59 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N DPN [1,1,0,0,0,0|0,0,2]=4 60 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O HF2 [1,1,0,0,0,0|0,0,2]=4 61 B12R1.43 c1ccc(cc1)\C=C(\C(=O)O)/F 4LW [1,1,0,0,0,0|0,0,0]=2 62 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 FBZ [1,1,0,0,0,0|0,0,2]=4 63 B12R1.107 C\C(=C/N(=O)=O)\c1ccccc1 1L5 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.107 c1ccc(cc1)C(CC(=O)O)N SFE [1,1,0,0,0,0|0,0,2]=4 65 B12R1.226 c1cc(cc(c1)O)\C=C\[N+](=O)[O-] P80 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)S 23J [0,1,0,0,1,0|0,1,0]=3 67 B12R1.127 C1=CC(=O)C=C([C@H]1O)CC(=O)O HQ9 [0,1,0,0,1,0|0,0,2]=4 68 B12R1.127 c1cc(c(cc1O)CC(=O)O)O OMD [0,1,0,0,1,0|0,0,1]=3 69 B12R1.233 c1cc(c(cc1O)O)SC(=O)O S24 [0,1,0,0,1,0|1,0,0]=3 70 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)Cl 2CL [0,1,0,0,1,0|1,0,1]=4 71 B14R1.160 CC(=O)ONC(=O)c1ccccc1O SCL [0,1,0,0,0,1|2,0,0]=4 72 B14R1.160 c1cc(c(nc1)C(=O)NCC(=O)O)O MD6 [0,1,0,0,0,1|1,0,1]=4 73 B14R1.160 c1ccc(c(c1)C(=O)CCC(=O)O)N KY1 [0,1,0,0,0,1|1,0,1]=4 74 B14R1.161 c1ccc(c(c1)C=CC(=O)C(=O)O)O TOH [0,1,0,0,0,1|0,0,0]=2 75 B14R1.4522 c1ccc(c(c1)C(=O)O)NCC(=O)O 3RG [0,2,0,0,0,0|1,0,1]=4 76 B14R1.6073 c1cc(c(cc1Br)\C=C\S(=O)(=O)O)O TU0 [0,2,0,0,0,0|1,0,0]=3 77 B14R1.727 c1cc(c(cc1Cl)Cl)/C=C/C(=O)NO GB4 [0,2,0,0,0,0|1,0,0]=3 78 B14R1.6049 c1cc(c(cc1O)O)C[C@@H](C(=O)O)N OTY [0,2,0,0,0,0|0,0,2]=4 79 B12R1.258 c1cc(nc(c1)C(=O)O)C(=O)O PDC [0,0,1,1,0,0|2,0,0]=4 80 B12R1.258 c1cnc(cc1C(=O)O)C(=O)O PD2 [0,0,1,1,0,0|2,0,0]=4 81 B12R1.252 c1ccc(cc1)SC=CC(=O)O 4ZD [0,0,1,1,0,0|2,0,0]=4 82 B12R2.24 c1ccc2c(c1)C=CC(=O)N2 OCH [1,0,0,1,0,0|1,0,0]=3 83 B12R2.24 c1ccc2c(c1)C=CC(=O)O2 COU [1,0,0,1,0,0|0,0,0]=2 84 B12R2.24 c1ccc2c(c1)ccc(n2)N 2AQ [1,0,0,1,0,0|2,0,0]=4 85 B12R2.24 c1ccc2cc(ccc2c1)O 03V [1,0,0,1,0,0|1,0,0]=3 86 B12R2.1081 c1cc2c(cccn2)c(c1)Br 4XH [1,0,0,1,0,0|2,0,0]=4 87 B12R2.1081 c1cc2c(cccn2)c(c1)O 5Q0 [1,0,0,1,0,0|1,0,0]=3 88 B12R2.1081 c1cc2cccnc2c(c1)O HQY [1,0,0,1,0,0|2,0,0]=4 89 B12R2.1081 c1cc2cnccc2c(c1)O 5SG [1,0,0,1,0,0|2,0,0]=4 90 B12R2.1081 c1ccc2c(c1)c(ccn2)O ES1 [1,0,0,1,0,0|2,0,0]=4 91 B12R2.1081 c1ccc2c(c1)cccc2Cl 15O [1,0,0,1,0,0|2,0,0]=4 92 B12R2.1081 c1ccc2c(c1)cccc2O 1NP [1,0,0,1,0,0|1,0,0]=3 93 B12R2.1081 c1ccc2c(c1)cccc2S 2XH [1,0,0,1,0,0|1,1,0]=4 94 B12R2.252 c1coc2c1[nH]c(c2)C(=O)O 4P5 [0,0,0,1,1,0|2,0,0]=4 95 B12R2.252 c1csc2c1[nH]c(c2)C(=O)O 4WL [0,0,0,1,1,0|2,0,0]=4 96 B12R2.252 c1csc2c1cc([nH]2)C(=O)O 4ZA [0,0,0,1,1,0|2,0,0]=4 97 B12R2.252 c1csc2c1sc(c2)C(=O)O NUK [0,0,0,1,1,0|1,1,0]=4 98 B14R2.256 c1ccc(c(c1)C2=CSC(=O)N2)F 1A7 [0,0,0,1,0,1|2,0,0]=4 99 B14R2.768 c1ccc2c(c1)cc(s2)CC(=O)O 2FX [0,0,0,1,0,1|0,1,0]=3 100 B14R2.781 c1ccc2c(c1)OC[C@@H](O2)C(=O)O 15N [0,0,0,1,0,1|0,0,2]=4 101 B14R2.781 c1ccc2c(c1)OC[C@H](O2)C(=O)O 0JD [0,0,0,1,0,1|0,0,2]=4 102 B14R2.781 c1ccc2c(c1)cc(cn2)C(=O)O Q3C [0,0,0,1,0,1|1,0,0]=3 103 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O QNC [0,0,0,1,0,1|1,0,0]=3 104 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O QND [0,0,0,1,0,1|1,0,0]=3 105 B14R2.781 c1ccc2c(c1)ncc(n2)C(=O)O QUI [0,0,0,1,0,1|1,0,0]=3 106 B14R2.781 c1ccc2c(c1)ncc(n2)C(=O)O QX [0,0,0,1,0,1|1,0,0]=3 107 B14R2.781 c1ccc2cc(ccc2c1)C(=O)O FIV [0,0,0,1,0,1|1,0,0]=3 108 B14R2.781 c1ccc2cnc(cc2c1)C(=O)O 4K8 [0,0,0,1,0,1|1,0,0]=3 109 B14R2.8032 Cc1cccc2c1[nH]cc2C(=O)C 5RO [0,0,0,1,0,1|2,0,0]=4 110 B14R2.2 c1ccc2c(c1)c(c[nH]2)CC(=O)O IAC [0,1,0,1,0,0|1,0,1]=4 111 B14R2.2 c1ccc2c(c1)c(no2)CC(=O)O NVU [0,1,0,1,0,0|0,0,1]=3 112 B14R2.450 CC1=C(Cc2c1cccc2)C(=O)O 38U [0,1,0,1,0,0|1,0,0]=3 113 B14R2.29369 c1cc2c(c(c1N)I)C=CC(=O)O2 32Y [0,1,0,1,0,0|1,0,0]=3 114 B14R2.3129 c1ccc2c(c1)cc(o2)S(=O)(=O)N EVD [0,1,0,1,0,0|1,0,1]=4 115 B14R2.4529 Cc1ccc2c(c1)cc([nH]2)C(=O)O 4BY [0,1,0,1,0,0|1,0,0]=3 116 B14R2.4529 Cc1ccc2cc([nH]c2c1)C(=O)O 4BL [0,1,0,1,0,0|1,0,0]=3 117 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Br 4ZU [0,1,0,1,0,0|1,0,0]=3 118 B14R2.4529 c1cc2c(cc1Br)cc(o2)C(=O)O UNJ [0,1,0,1,0,0|0,0,0]=2 119 B14R2.4529 c1cc2c(cc1Cl)cc([nH]2)C(=O)O 3ZB [0,1,0,1,0,0|1,0,0]=3 120 B14R2.4529 c1cc2c(cc1F)cc([nH]2)C(=O)O FIC [0,1,0,1,0,0|1,0,0]=3 121 B10R1.18 CC(=O)Oc1ccccc1 QY9 [1,0,0,0,1,0|2,0,0]=4 122 B10R1.18 c1ccc(cc1)CC(=O)O PAC [1,0,0,0,1,0|0,0,1]=3 123 B10R1.18 c1ccc(cc1)NC(=O)N PHU [1,0,0,0,1,0|2,0,0]=4 124 B10R1.66 c1c(nc[nH]1)C=CC(=O)O URO [1,0,0,0,1,0|2,0,0]=4 125 B10R1.61 C1=CNC(=O)C(=C1)C(=O)O ES6 [0,0,0,0,2,0|1,0,1]=4 126 B10R1.61 CC(=O)c1ccccc1N VNJ [0,0,0,0,2,0|2,0,0]=4 127 B10R1.61 Cc1ccccc1C(=O)O 3SK [0,0,0,0,2,0|1,0,0]=3 128 B10R1.61 c1cc(c(nc1)C(=O)O)O MHW [0,0,0,0,2,0|1,0,0]=3 129 B10R1.61 c1cc(c(nc1)C(=O)O)S 1WD [0,0,0,0,2,0|1,1,0]=4 130 B10R1.61 c1ccc(c(c1)C(=O)N)N 2AE [0,0,0,0,2,0|2,0,0]=4 131 B10R1.61 c1ccc(c(c1)C(=O)N)O OHB [0,0,0,0,2,0|1,0,0]=3 132 B10R1.61 c1ccc(c(c1)C(=O)O)F 3U4 [0,0,0,0,2,0|1,0,0]=3 133 B10R1.61 c1ccc(c(c1)C(=O)O)N 6AB [0,0,0,0,2,0|1,0,0]=3 134 B10R1.61 c1ccc(c(c1)C(=O)O)N BE2 [0,0,0,0,2,0|1,0,0]=3 135 B10R1.61 c1ccc(c(c1)C(=O)O)O SAL [0,0,0,0,2,0|0,0,0]=2 136 B10R1.61 c1ccc(c(c1)C(=O)O)S JKE [0,0,0,0,2,0|0,1,0]=3 137 B10R1.61 c1ccc(c(c1)[N+](=O)O)O CG3 [0,0,0,0,2,0|1,0,0]=3 138 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O OPO [0,0,0,0,2,0|1,0,1]=4 139 B10R1.61 c1cncc(c1C(=O)O)N 4SV [0,0,0,0,2,0|2,0,0]=4