0 B11R1.91 B(CCc1ccccc1)(O)O PBA [0,0,0,0,0,0|1,0,3]=4 1 B11R1.91 CC(=O)OCc1ccccc1 J0Z [0,0,0,0,0,0|2,0,1]=3 2 B11R1.91 c1ccc(cc1)/C=C/C(=O)O TCA [0,0,0,0,0,0|0,0,0]=0 3 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [0,0,0,0,0,0|0,0,2]=2 4 B11R1.91 c1ccc(cc1)CNC(=O)O PMQ [0,0,0,0,0,0|1,0,1]=2 5 B11R1.91 c1ccc(cc1)COC(=O)Cl PHQ [0,0,0,0,0,0|2,0,1]=3 6 B11R1.91 c1ccc(cc1)COC(=O)O BGG [0,0,0,0,0,0|1,0,1]=2 7 B11R1.91 c1ccc(cc1)OCC(=O)N PO6 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.91 c1ccc(cc1)OCC(=O)O 06Y [0,0,0,0,0,0|1,0,1]=2 9 B11R1.91 c1ccc(cc1)\C=C\C(=O)N DH6 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.91 c1ccc(cc1)\C=C\[N+](=O)[O-] NS8 [0,0,0,0,0,0|1,0,1]=2 11 B11R1.91 c1cnccc1/C=C/C(=O)O XIZ [0,0,0,0,0,0|1,0,0]=1 12 B10R1.17 C=CCNc1ccccc1 NYL [1,0,0,0,0,0|2,0,1]=4 13 B10R1.17 c1ccc(cc1)CCC=O 3PL [1,0,0,0,0,0|0,0,2]=3 14 B10R1.17 c1ccc(cc1)CNC=O BNF [1,0,0,0,0,0|1,0,1]=3 15 B10R1.17 c1ccc(cc1)CNC=S 9BE [1,0,0,0,0,0|1,1,1]=4 16 B10R1.17 c1ccc(cc1)COC=O BZO [1,0,0,0,0,0|1,0,1]=3 17 B10R1.17 c1ccc(cc1)COC=O CBZ [1,0,0,0,0,0|1,0,1]=3 18 B10R1.17 c1ccc(cc1)OCCO 268 [1,0,0,0,0,0|1,0,2]=4 19 B12R1.21 Cc1ccc(cc1)CCC(=O)O PPT [0,1,0,0,0,0|0,0,2]=3 20 B12R1.21 c1c(cnc(n1)N)/C=C/C(=O)O XJ0 [0,1,0,0,0,0|2,0,0]=3 21 B12R1.21 c1cc(ccc1/C=C/C(=O)O)O HC4 [0,1,0,0,0,0|0,0,0]=1 22 B12R1.21 c1cc(ccc1CCC(=O)N)Br TCF [0,1,0,0,0,0|1,0,2]=4 23 B12R1.21 c1cc(ccc1CCC(=O)N)O SGI [0,1,0,0,0,0|1,0,2]=4 24 B12R1.21 c1cc(ccc1CCC(=O)O)Cl S0W [0,1,0,0,0,0|0,0,2]=3 25 B12R1.21 c1cc(ccc1CCC(=O)O)N AHC [0,1,0,0,0,0|0,0,2]=3 26 B12R1.21 c1cc(ccc1CCC(=O)O)O HPP [0,1,0,0,0,0|0,0,2]=3 27 B12R1.21 c1cc(ccc1\C=C\[N+](=O)[O-])O P81 [0,1,0,0,0,0|1,0,1]=3 28 B12R1.43 CC(=O)[C@H](Cc1ccccc1)N HPC [0,1,0,0,0,0|1,0,2]=4 29 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O DPH [0,1,0,0,0,0|0,0,2]=3 30 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O 4LV [0,1,0,0,0,0|0,0,0]=1 31 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N 1MH [0,1,0,0,0,0|1,0,2]=4 32 B12R1.43 c1ccc(cc1)/C=C(/C(=O)O)\N 23F [0,1,0,0,0,0|0,0,0]=1 33 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O 1PY [0,1,0,0,0,0|0,0,1]=2 34 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O PPY [0,1,0,0,0,0|0,0,1]=2 35 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N NFA [0,1,0,0,0,0|1,0,2]=4 36 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)Cl WJ1 [0,1,0,0,0,0|0,0,2]=3 37 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE [0,1,0,0,0,0|0,0,2]=3 38 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE_LFOH [0,1,0,0,0,0|0,0,2]=3 39 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O HFA [0,1,0,0,0,0|0,0,2]=3 40 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LLA [0,1,0,0,0,0|0,0,2]=3 41 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LOF [0,1,0,0,0,0|0,0,2]=3 42 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)[NH-] PHE_LEO2H [0,1,0,0,0,0|0,0,2]=3 43 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH-] PHE_LEO2 [0,1,0,0,0,0|0,0,3]=4 44 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+] PHE_LFZW [0,1,0,0,0,0|0,0,3]=4 45 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl WJ2 [0,1,0,0,0,0|0,0,2]=3 46 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N DPN [0,1,0,0,0,0|0,0,2]=3 47 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O HF2 [0,1,0,0,0,0|0,0,2]=3 48 B12R1.43 c1ccc(cc1)\C=C(\C(=O)O)/F 4LW [0,1,0,0,0,0|0,0,0]=1 49 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 FBZ [0,1,0,0,0,0|0,0,2]=3 50 B12R1.107 C\C(=C/N(=O)=O)\c1ccccc1 1L5 [0,1,0,0,0,0|1,0,1]=3 51 B12R1.107 c1ccc(cc1)C(CC(=O)O)N SFE [0,1,0,0,0,0|0,0,2]=3 52 B12R1.125 Cc1ccccc1CCC(=O)O 02Q [0,1,0,0,0,0|0,0,2]=3 53 B12R1.125 c1ccc(c(c1)/C=C/C(=O)O)O 2HC [0,1,0,0,0,0|0,0,0]=1 54 B12R1.125 c1ccc(c(c1)\C=C\[N+](=O)[O-])O P7Y [0,1,0,0,0,0|1,0,1]=3 55 B12R1.226 c1cc(cc(c1)O)\C=C\[N+](=O)[O-] P80 [0,1,0,0,0,0|1,0,1]=3 56 B12R2.24 c1cc2cc(ccc2nc1)N ES5 [0,0,0,1,0,0|3,0,0]=4 57 B12R2.24 c1ccc2c(c1)C=CC(=O)N2 OCH [0,0,0,1,0,0|1,0,0]=2 58 B12R2.24 c1ccc2c(c1)C=CC(=O)O2 COU [0,0,0,1,0,0|0,0,0]=1 59 B12R2.24 c1ccc2c(c1)cc(cn2)N 4FS [0,0,0,1,0,0|3,0,0]=4 60 B12R2.24 c1ccc2c(c1)ccc(n2)N 2AQ [0,0,0,1,0,0|2,0,0]=3 61 B12R2.24 c1ccc2cc(ccc2c1)O 03V [0,0,0,1,0,0|1,0,0]=2 62 B10R1.18 CC(=O)Oc1ccccc1 QY9 [0,0,0,0,1,0|2,0,0]=3 63 B10R1.18 N=C(\N)/Nc1ccccc1 PL0 [0,0,0,0,1,0|3,0,0]=4 64 B10R1.18 c1ccc(cc1)CC(=O)O PAC [0,0,0,0,1,0|0,0,1]=2 65 B10R1.18 c1ccc(cc1)NC(=O)N PHU [0,0,0,0,1,0|2,0,0]=3 66 B10R1.18 c1ccc(cc1)NC(=S)N URS [0,0,0,0,1,0|2,1,0]=4 67 B10R1.66 c1c(nc[nH]1)C=CC(=O)O URO [0,0,0,0,1,0|2,0,0]=3 68 B10R1.66 c1cc(oc1)CCC(=O)O 6O5 [0,0,0,0,1,0|1,0,2]=4 69 B12R1.252 CC(=O)NCCc1ccccc1 54W [0,0,0,0,0,1|1,0,2]=4 70 B12R1.252 c1ccc(cc1)CCCC(=O)O CLT [0,0,0,0,0,1|0,0,2]=3 71 B12R1.252 c1ccc(cc1)CNCC(=O)O 04Q [0,0,0,0,0,1|0,0,2]=3 72 B12R1.252 c1ccc(cc1)SC=CC(=O)O 4ZD [0,0,0,0,0,1|0,0,0]=1 73 B9R0.2 C\C=C\C=C\C=C\C(=O)O OTT [1,0,1,0,0,0|0,0,1]=3 74 B9R1.8 c1ccc(cc1)CC=O HY1 [2,0,0,0,0,0|0,0,1]=3 75 B9R1.8 c1ccc(cc1)CCO PEL [2,0,0,0,0,0|0,0,2]=4 76 B9R1.8 c1ccc(cc1)NC=O FAN [2,0,0,0,0,0|1,0,0]=3 77 B9R1.8 c1ccc(cc1)NC=S 0FI [2,0,0,0,0,0|1,1,0]=4 78 B11R1.1 c1cc(ccc1CNC=O)I BAC [1,1,0,0,0,0|1,0,1]=4 79 B11R1.16 c1ccc(cc1)C(=O)CCO P18 [1,1,0,0,0,0|0,0,2]=4 80 B11R1.16 c1ccc(cc1)C(=O)NCO 1Q8 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.24 c1cc(cc(c1)N)COC=O MAZ [1,1,0,0,0,0|1,0,1]=4 82 B11R1.28 c1ccc(cc1)CCNC=O EOA [1,1,0,0,0,0|0,0,2]=4 83 B11R1.40 c1ccc(cc1)C[C@@H](C=O)N PHA [1,1,0,0,0,0|0,0,2]=4 84 B11R1.20 CC(=O)Nc1ccc(cc1)O NNS [0,1,0,0,1,0|2,0,0]=4 85 B11R1.20 CC(=O)Nc1ccc(cc1)O TYL [0,1,0,0,1,0|2,0,0]=4 86 B11R1.20 c1cc(ccc1CC(=O)O)O 4HP [0,1,0,0,1,0|0,0,1]=3 87 B11R1.36 C[C@H](c1ccccc1)C(=O)O GRO [0,1,0,0,1,0|0,0,1]=3 88 B11R1.36 c1ccc(cc1)C(=O)C(=O)O 173 [0,1,0,0,1,0|0,0,0]=2 89 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N 004 [0,1,0,0,1,0|0,0,1]=3 90 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O SMN [0,1,0,0,1,0|0,0,1]=3 91 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PG9 [0,1,0,0,1,0|0,0,1]=3 92 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PGY [0,1,0,0,1,0|0,0,1]=3 93 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O RMN [0,1,0,0,1,0|0,0,1]=3 94 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)S RTD [0,1,0,0,1,0|0,0,1]=3 95 B11R1.86 c1ccc(c(c1)CC(=O)O)O OHP [0,1,0,0,1,0|0,0,1]=3 96 B11R1.157 CC(=O)Nc1cccc(c1)N N3M [0,1,0,0,1,0|2,0,0]=4 97 B11R1.157 c1cc(cc(c1)O)CC(=O)O 3HP [0,1,0,0,1,0|0,0,1]=3 98 B11R1.509 c1ccc(cc1)CP(=O)(O)O B85 [0,1,0,0,1,0|1,0,1]=4 99 B11R1.509 c1ccc(cc1)CS(=O)(=O)O IOX [0,1,0,0,1,0|1,0,1]=4 100 B11R1.509 c1ccc(cc1)CS(=O)(=O)O PMS [0,1,0,0,1,0|1,0,1]=4 101 B11R1.509 c1ccc(cc1)OP(=O)(O)O HPS [0,1,0,0,1,0|2,0,0]=4 102 B13R1.348 c1ccc(cc1)C[C@@H](CC(=O)O)N 3FB [0,1,0,0,0,1|0,0,2]=4 103 B13R1.348 c1ccc(cc1)C[C@H](N)NC(=O)O APE [0,1,0,0,0,1|0,0,2]=4 104 B13R1.351 c1ccc(cc1)CC[C@@H](C(=O)O)N HPE [0,1,0,0,0,1|0,0,2]=4 105 B13R1.351 c1ccc(cc1)CC[C@H](C(=O)O)N HMF [0,1,0,0,0,1|0,0,2]=4 106 B13R1.513 c1cc(ccc1SCCC(=O)O)Cl 4YZ [0,1,0,0,0,1|0,0,2]=4 107 B13R1.3 COc1ccc(cc1)CCC(=O)O ZGC [0,2,0,0,0,0|0,0,2]=4 108 B13R1.14 c1cc(ccc1/C=C/C(=O)NO)Cl GB5 [0,2,0,0,0,0|0,0,0]=2 109 B13R1.132 C\C(=C/C(=O)O)\c1ccc(cc1)Cl 6ZX [0,2,0,0,0,0|0,0,0]=2 110 B13R1.133 Cc1ccc(cc1)C[C@@H](C(=O)O)N 4PH [0,2,0,0,0,0|0,0,2]=4 111 B13R1.133 c1cc(ccc1/C=C(\C(=O)[O-])/F)O FHC [0,2,0,0,0,0|0,0,1]=3 112 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)O ENO [0,2,0,0,0,0|0,0,1]=3 113 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Br 4BF [0,2,0,0,0,0|0,0,2]=4 114 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Cl 200 [0,2,0,0,0,0|0,0,2]=4 115 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)F PFF [0,2,0,0,0,0|0,0,2]=4 116 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)I PHI [0,2,0,0,0,0|0,0,2]=4 117 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)N HOX [0,2,0,0,0,0|0,0,2]=4 118 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O TYR [0,2,0,0,0,0|0,0,2]=4 119 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O TYR_LFOH [0,2,0,0,0,0|0,0,2]=4 120 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)[O-] TYR_LFOH_DHH [0,2,0,0,0,0|0,0,2]=4 121 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)O)O TYF [0,2,0,0,0,0|0,0,2]=4 122 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)S)I ISA [0,2,0,0,0,0|0,0,2]=4 123 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)[NH-])O TYR_LEO2H [0,2,0,0,0,0|0,0,2]=4 124 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)[NH-])[O-] TYR_LEO2H_DHH [0,2,0,0,0,0|0,0,2]=4 125 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)I IOY [0,2,0,0,0,0|0,0,2]=4 126 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)O DTY [0,2,0,0,0,0|0,0,2]=4 127 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)O)O 34H [0,2,0,0,0,0|0,0,2]=4 128 B13R1.133 c1cc(ccc1\C=C(/C(=O)O)\O)O EN1 [0,2,0,0,0,0|0,0,0]=2 129 B13R1.133 c1cc(ccc1\C=C(/C(=O)O)\S)Cl 2UB [0,2,0,0,0,0|0,0,0]=2 130 B13R1.164 c1cc(c(cc1Cl)Cl)OCC(=O)O CFA [0,2,0,0,0,0|1,0,1]=4 131 B13R1.164 c1cc(c(cc1Cl)Cl)\C=C\C(=O)O 5OO [0,2,0,0,0,0|0,0,0]=2 132 B13R1.164 c1cc(c(cc1O)O)/C=C/C(=O)O SN1 [0,2,0,0,0,0|0,0,0]=2 133 B13R1.511 c1cc(c(cc1/C=C/C(=O)O)O)O DHC [0,2,0,0,0,0|0,0,0]=2 134 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N 0A9 [0,2,0,0,0,0|0,0,2]=4 135 B13R1.135 COC(=O)[C@H](Cc1ccccc1)O OPH [0,2,0,0,0,0|0,0,2]=4 136 B13R1.148 Cc1cccc(c1)C[C@@H](C(=O)O)N APD [0,2,0,0,0,0|0,0,2]=4 137 B13R1.148 c1cc(cc(c1)Br)C[C@@H](C(=O)O)N 6CV [0,2,0,0,0,0|0,0,2]=4 138 B13R1.148 c1cc(cc(c1)Cl)C[C@@H](C(=O)O)N FCL [0,2,0,0,0,0|0,0,2]=4 139 B13R1.148 c1cc(cc(c1)I)C[C@@H](C(=O)O)N 33S [0,2,0,0,0,0|0,0,2]=4 140 B13R1.148 c1cc(cc(c1)O)C[C@@H](C(=O)O)N EHP [0,2,0,0,0,0|0,0,2]=4 141 B13R1.148 c1cc(cc(c1)O)C[C@@H](C(=O)O)N MTY [0,2,0,0,0,0|0,0,2]=4 142 B13R1.152 C[C@@H](c1ccccc1)[C@@H](C(=O)O)N 41H [0,2,0,0,0,0|0,0,2]=4 143 B13R1.152 C[C@H](c1ccccc1)C(=O)C(=O)O 56D [0,2,0,0,0,0|0,0,1]=3 144 B13R1.152 c1ccc(cc1)[C@@H]([C@@H](C(=O)O)N)O BB8 [0,2,0,0,0,0|0,0,2]=4 145 B13R1.152 c1ccc(cc1)[C@H]([C@@H](C(=O)O)N)O H14 [0,2,0,0,0,0|0,0,2]=4 146 B13R1.152 c1ccc(cc1)[C@H]([C@@H](C(=O)O)O)O M74 [0,2,0,0,0,0|0,0,2]=4 147 B13R1.202 CC(Cc1ccccc1O)C(=O)O OAC [0,2,0,0,0,0|0,0,2]=4 148 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)Br 6DU [0,2,0,0,0,0|0,0,2]=4 149 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)Cl 2L5 [0,2,0,0,0,0|0,0,2]=4 150 B13R1.418 CN[C@@H](Cc1ccccc1)C(=O)O MEA [0,2,0,0,0,0|0,0,2]=4 151 B13R1.418 CN[C@H](Cc1ccccc1)C(=O)O ZAE [0,2,0,0,0,0|0,0,2]=4 152 B13R1.418 c1ccc(cc1)C[C@@H](CI)C(=O)O BIP [0,2,0,0,0,0|0,0,2]=4 153 B13R1.418 c1ccc(cc1)C[C@H](CS)C(=O)O BTP [0,2,0,0,0,0|0,0,2]=4 154 B13R1.418 c1ccc(cc1)C\C(=N/O)\C(=O)O 3CR [0,2,0,0,0,0|0,0,1]=3 155 B13R1.201 c1ccc(c(c1)C(=O)CC(=O)O)N 61M [0,2,0,0,0,0|0,0,1]=3 156 B13R1.3787 Cc1cccc(c1OCC(=O)O)C DBA [0,2,0,0,0,0|1,0,1]=4 157 B13R1.3787 c1cc(c(c(c1)Cl)OCC(=O)O)Cl KNL [0,2,0,0,0,0|1,0,1]=4 158 B13R1.3787 c1cc(c(c(c1)F)OCC(=O)O)F KNP [0,2,0,0,0,0|1,0,1]=4 159 B11R1.53 COc1ccccc1C(=O)O 71F [0,0,1,1,0,0|1,0,1]=4 160 B11R1.266 c1cc(cc(c1)C(=O)O)CN 3AZ [0,0,1,1,0,0|1,0,1]=4 161 B11R1.167 Cc1ccc(c(c1)C(=O)O)N 5M0 [0,0,1,1,0,0|1,0,1]=4 162 B11R1.167 Cc1ccc(c(c1)C(=O)O)O 54G [0,0,1,1,0,0|1,0,1]=4 163 B11R1.167 c1cc(c(cc1Br)C(=O)O)N SX1 [0,0,1,1,0,0|2,0,0]=4 164 B11R1.167 c1cc(c(cc1F)C(=O)O)N 5RG [0,0,1,1,0,0|2,0,0]=4 165 B11R1.167 c1cc(c(cc1O)C(=O)O)O GTQ [0,0,1,1,0,0|2,0,0]=4 166 B11R2.1 c1ccc2c(c1)CCC2=O 1ON [1,0,0,1,0,0|0,0,2]=4 167 B11R2.1 c1ccc2c(c1)c[nH]c2N F05 [1,0,0,1,0,0|2,0,0]=4 168 B11R2.20 c1ccc2c(c1)cncn2 QUZ [1,0,0,1,0,0|2,0,0]=4 169 B11R2.20 c1ccc2ccccc2c1 NPY [1,0,0,1,0,0|1,0,0]=3 170 B11R2.20 c1ccc2cnccc2c1 ISQ [1,0,0,1,0,0|2,0,0]=4 171 B11R2.10 Cc1cc2ccccc2[nH]1 2MI [0,0,0,1,1,0|2,0,0]=4 172 B11R2.36 c1cc(cc2c1cc[nH]2)O F60 [0,0,0,1,1,0|2,0,0]=4 173 B11R2.36 c1cc2c(cc[nH]2)cc1O 5H1 [0,0,0,1,1,0|2,0,0]=4 174 B13R2.10 Cc1c[nH]c(n1)c2ccccc2 7VP [0,0,0,1,0,1|2,0,0]=4 175 B13R2.10 c1ccc(cc1)c2nnc(o2)S IWT [0,0,0,1,0,1|1,1,0]=4 176 B13R2.72 CC(=O)c1c[nH]c2c1cccc2 5RN [0,0,0,1,0,1|1,0,0]=3 177 B13R2.72 c1ccc2c(c1)c(c[nH]2)C(=O)O ICO [0,0,0,1,0,1|0,0,0]=2 178 B13R2.155 c1cc2c(cc1O)OC(=O)C=C2 07L [0,1,0,1,0,0|0,0,0]=2 179 B13R2.3791 c1cc2c(cc1N)S(=O)(=O)C=C2 MWP [0,1,0,1,0,0|1,0,1]=4 180 B13R2.32 CN1c2ccccc2C=CC1=O 12Q [0,1,0,1,0,0|1,0,0]=3 181 B13R2.32 c1ccc2c(c1)C=CN(C2=S)O HQT [0,1,0,1,0,0|1,1,0]=4 182 B13R2.32 c1ccc2c(c1)C=C[C@@H]([C@@H]2O)O NDH [0,1,0,1,0,0|0,0,2]=4 183 B13R2.32 c1ccc2c(c1)ccc(c2O)O D1N [0,1,0,1,0,0|0,0,1]=3 184 B13R2.57 C=Nc1ccc2ccccc2c1 N2I [0,1,0,1,0,0|2,0,0]=4 185 B13R2.57 c1ccc2cc(ccc2c1)CO 2NA [0,1,0,1,0,0|1,0,0]=3 186 B13R2.369 CC1=Cc2ccccc2NC1=O J5I [0,1,0,1,0,0|1,0,0]=3 187 B13R2.369 c1ccc2c(c1)C=C(C(=O)N2)O G3E [0,1,0,1,0,0|1,0,0]=3 188 B13R2.369 c1ccc2c(c1)C=C(C(=O)O2)O SE2 [0,1,0,1,0,0|0,0,0]=2 189 B13R2.435 B(c1cc2ccccc2s1)(O)O BZB [0,1,0,1,0,0|1,0,1]=4 190 B13R2.435 c1ccc2c(c1)CC(C2)C(=O)O 6FZ [0,1,0,1,0,0|0,0,2]=4 191 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(=O)O TRM [0,1,0,1,0,0|1,0,0]=3 192 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O ICB [0,1,0,1,0,0|0,0,0]=2 193 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O BZ2 [0,1,0,1,0,0|0,0,0]=2 194 B13R2.435 c1ccc2c(c1)cc(s2)C(=[NH2+])N ESX [0,1,0,1,0,0|2,0,0]=4 195 B13R2.328 CC1=CC(=O)Oc2c1cccc2 ZZ1 [0,1,0,1,0,0|0,0,0]=2 196 B13R2.328 Cc1cc(c2ccccc2n1)N M4A [0,1,0,1,0,0|2,0,0]=4 197 B13R2.328 Cc1cc(nc2c1cccc2)N M5K [0,1,0,1,0,0|2,0,0]=4 198 B13R2.328 Cc1cc(nc2c1cccc2)O AJ2 [0,1,0,1,0,0|1,0,0]=3 199 B13R2.328 c1ccc2c(c1)C(=CC(=O)O2)O 4HC [0,1,0,1,0,0|0,0,0]=2 200 B13R2.5179 c1cc2cc(ccc2c(c1)O)O DIN [0,1,0,1,0,0|1,0,0]=3 201 B13R2.5179 c1cc2cc(cnc2c(c1)N)O A7W [0,1,0,1,0,0|2,0,0]=4 202 B13R2.162 c1cc2c(c(c1)O)OC(=O)C=C2 8CM [0,1,0,1,0,0|0,0,0]=2 203 B13R2.162 c1cc2ccc(nc2c(c1)O)N 0P6 [0,1,0,1,0,0|2,0,0]=4 204 B13R2.3683 Cc1ccc2c(c1)C=CC(=O)O2 3AV [0,1,0,1,0,0|0,0,0]=2 205 B13R2.3683 Cc1ccc2cc(ccc2n1)N MQN [0,1,0,1,0,0|2,0,0]=4 206 B13R2.3683 c1cc2c(cc1Cl)C=CC(=O)N2 0TU [0,1,0,1,0,0|1,0,0]=3 207 B13R2.3683 c1cc2c(cc1N)C=CC(=O)O2 4JQ [0,1,0,1,0,0|0,0,0]=2 208 B13R2.3683 c1cc2c(cc1O)C=CC(=S)O2 FC5 [0,1,0,1,0,0|0,1,0]=3 209 B9R1.6 B(c1ccccc1)(O)O PBC [0,0,0,0,2,0|1,0,1]=4 210 B9R1.6 CC(=O)c1ccccc1 AC0 [0,0,0,0,2,0|1,0,0]=3 211 B9R1.6 C[C@@H](c1ccccc1)O SS1 [0,0,0,0,2,0|1,0,1]=4 212 B9R1.6 C[C@H](c1ccccc1)O SS2 [0,0,0,0,2,0|1,0,1]=4 213 B9R1.6 N=C(/c1ccccc1)\N BEN [0,0,0,0,2,0|2,0,0]=4 214 B9R1.6 c1cc(cnc1)C(=O)N NCA [0,0,0,0,2,0|2,0,0]=4 215 B9R1.6 c1cc(cnc1)C(=O)O NIO [0,0,0,0,2,0|1,0,0]=3 216 B9R1.6 c1ccc(cc1)C(=N)N BDN [0,0,0,0,2,0|2,0,0]=4 217 B9R1.6 c1ccc(cc1)C(=O)N UNU [0,0,0,0,2,0|1,0,0]=3 218 B9R1.6 c1ccc(cc1)C(=O)O BEZ [0,0,0,0,2,0|0,0,0]=2 219 B9R1.6 c1ccc(cc1)C(=O)O BOX [0,0,0,0,2,0|0,0,0]=2 220 B9R1.6 c1ccc(cc1)C(=[NH2+])N BAM [0,0,0,0,2,0|2,0,0]=4 221 B9R1.6 c1ccc(cc1)[N+](=O)[O-] NBZ [0,0,0,0,2,0|1,0,1]=4 222 B9R1.6 c1ccnc(c1)C(=O)N WM1 [0,0,0,0,2,0|2,0,0]=4 223 B9R1.6 c1ccnc(c1)C(=O)O 6PC [0,0,0,0,2,0|1,0,0]=3 224 B9R1.6 c1cnc(cn1)C(=O)O VGL [0,0,0,0,2,0|2,0,0]=4 225 B9R1.13 c1cc(sc1)CC(=O)O SPA [0,0,0,0,2,0|1,0,1]=4 226 B13R1.337 c1ccc(cc1)CCCCC(=O)O 5PV [0,0,0,0,0,2|0,0,2]=4