0 B10R1.17 C=CCNc1ccccc1 NYL [0,0,0,0,0,0|2,0,1]=3 1 B10R1.17 CCCCc1ccccc1 N4B [0,0,0,0,0,0|1,0,3]=4 2 B10R1.17 c1cc(cnc1)CNC=S 35J [0,0,0,0,0,0|2,1,1]=4 3 B10R1.17 c1ccc(cc1)CCC=O 3PL [0,0,0,0,0,0|0,0,2]=2 4 B10R1.17 c1ccc(cc1)CCCCl LT1 [0,0,0,0,0,0|1,0,3]=4 5 B10R1.17 c1ccc(cc1)CCC[NH3+] PRA [0,0,0,0,0,0|1,0,3]=4 6 B10R1.17 c1ccc(cc1)CNC=O BNF [0,0,0,0,0,0|1,0,1]=2 7 B10R1.17 c1ccc(cc1)CNC=S 9BE [0,0,0,0,0,0|1,1,1]=3 8 B10R1.17 c1ccc(cc1)COC=O BZO [0,0,0,0,0,0|1,0,1]=2 9 B10R1.17 c1ccc(cc1)COC=O CBZ [0,0,0,0,0,0|1,0,1]=2 10 B10R1.17 c1ccc(cc1)NCC#N 264 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.17 c1ccc(cc1)OCCCl 258 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.17 c1ccc(cc1)OCCO 268 [0,0,0,0,0,0|1,0,3]=4 13 B9R1.8 CCCc1ccccc1 3H0 [1,0,0,0,0,0|0,0,3]=4 14 B9R1.8 CCOc1ccccc1 16Q [1,0,0,0,0,0|1,0,2]=4 15 B9R1.8 CCSc1ccccc1 16M [1,0,0,0,0,0|1,0,2]=4 16 B9R1.8 CNCc1ccccc1 271 [1,0,0,0,0,0|1,0,2]=4 17 B9R1.8 CSCc1ccccc1 PTF [1,0,0,0,0,0|1,0,2]=4 18 B9R1.8 c1ccc(cc1)CC=O HY1 [1,0,0,0,0,0|0,0,1]=2 19 B9R1.8 c1ccc(cc1)CCCl CEE [1,0,0,0,0,0|1,0,2]=4 20 B9R1.8 c1ccc(cc1)CCO PEL [1,0,0,0,0,0|0,0,3]=4 21 B9R1.8 c1ccc(cc1)CC[NH3+] PEA [1,0,0,0,0,0|1,0,2]=4 22 B9R1.8 c1ccc(cc1)CNN BZZ [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 c1ccc(cc1)CON OBZ [1,0,0,0,0,0|2,0,1]=4 24 B9R1.8 c1ccc(cc1)N=C=S FTE [1,0,0,0,0,0|1,1,1]=4 25 B9R1.8 c1ccc(cc1)NC=O FAN [1,0,0,0,0,0|1,0,0]=2 26 B9R1.8 c1ccc(cc1)NC=S 0FI [1,0,0,0,0,0|1,1,0]=3 27 B11R1.1 c1cc(ccc1CNC=O)I BAC [0,1,0,0,0,0|1,0,1]=3 28 B11R1.16 c1ccc(cc1)C(=O)CCO P18 [0,1,0,0,0,0|0,0,3]=4 29 B11R1.16 c1ccc(cc1)C(=O)NCO 1Q8 [0,1,0,0,0,0|1,0,2]=4 30 B11R1.24 c1cc(cc(c1)N)COC=O MAZ [0,1,0,0,0,0|1,0,1]=3 31 B11R1.28 c1ccc(cc1)CCNC=O EOA [0,1,0,0,0,0|0,0,2]=3 32 B11R1.28 c1ccc(cc1)CCNC=S LE2 [0,1,0,0,0,0|0,1,2]=4 33 B11R1.40 c1ccc(cc1)C[C@@H](C=O)N PHA [0,1,0,0,0,0|0,0,2]=3 34 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH-] PHE_LL [0,1,0,0,0,0|0,0,3]=4 35 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH3+] PHE_LSN3 [0,1,0,0,0,0|0,0,3]=4 36 B11R1.40 c1ccc(cc1)NC(=O)ON PHJ [0,1,0,0,0,0|3,0,0]=4 37 B11R1.91 CC(=O)OCc1ccccc1 J0Z [0,1,0,0,0,0|1,0,1]=3 38 B11R1.91 c1ccc(cc1)/C=C/C(=O)O TCA [0,1,0,0,0,0|0,0,0]=1 39 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [0,1,0,0,0,0|0,0,2]=3 40 B11R1.91 c1ccc(cc1)CNC(=O)O PMQ [0,1,0,0,0,0|1,0,1]=3 41 B11R1.91 c1ccc(cc1)COC(=O)Cl PHQ [0,1,0,0,0,0|1,0,1]=3 42 B11R1.91 c1ccc(cc1)COC(=O)O BGG [0,1,0,0,0,0|1,0,1]=3 43 B11R1.91 c1ccc(cc1)OCC(=O)N PO6 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.91 c1ccc(cc1)OCC(=O)O 06Y [0,1,0,0,0,0|1,0,1]=3 45 B11R1.91 c1ccc(cc1)\C=C\C(=O)N DH6 [0,1,0,0,0,0|0,0,0]=1 46 B11R1.91 c1ccc(cc1)\C=C\[N+](=O)[O-] NS8 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.91 c1cnccc1/C=C/C(=O)O XIZ [0,1,0,0,0,0|1,0,0]=2 48 B11R2.1 Cc1c2ccccc2n[nH]1 0RW [0,0,0,1,0,0|3,0,0]=4 49 B11R2.1 c1ccc2c(c1)CCC2=O 1ON [0,0,0,1,0,0|0,0,2]=3 50 B11R2.1 c1ccc2c(c1)c(n[nH]2)N JNZ [0,0,0,1,0,0|3,0,0]=4 51 B11R2.1 c1ccc2c(c1)c(no2)N HLR [0,0,0,1,0,0|3,0,0]=4 52 B11R2.1 c1ccc2c(c1)c[nH]c2N F05 [0,0,0,1,0,0|2,0,0]=3 53 B11R2.20 c1ccc2c(c1)cncn2 QUZ [0,0,0,1,0,0|2,0,0]=3 54 B11R2.20 c1ccc2ccccc2c1 NPY [0,0,0,1,0,0|1,0,0]=2 55 B11R2.20 c1ccc2cnccc2c1 ISQ [0,0,0,1,0,0|2,0,0]=3 56 B11R2.20 c1ccc2cnncc2c1 4FT [0,0,0,1,0,0|3,0,0]=4 57 B8R1.2 C=Cc1ccccc1 SYN [2,0,0,0,0,0|0,0,0]=2 58 B8R1.2 CCc1ccccc1 N2B [2,0,0,0,0,0|0,0,2]=4 59 B8R1.2 CCc1ccccc1 PYJ [2,0,0,0,0,0|0,0,2]=4 60 B8R1.2 CNc1ccccc1 1MR [2,0,0,0,0,0|1,0,1]=4 61 B8R1.2 CSc1ccccc1 16R [2,0,0,0,0,0|1,0,1]=4 62 B8R1.2 c1ccc(cc1)C=O HBX [2,0,0,0,0,0|0,0,0]=2 63 B8R1.2 c1ccc(cc1)CCl 9CL [2,0,0,0,0,0|1,0,1]=4 64 B8R1.2 c1ccc(cc1)CN ABN [2,0,0,0,0,0|1,0,1]=4 65 B8R1.2 c1ccc(cc1)CO 010 [2,0,0,0,0,0|0,0,2]=4 66 B8R1.2 c1ccc(cc1)N=O NBE [2,0,0,0,0,0|1,0,0]=3 67 B8R1.2 c1ccc(cc1)NN PHZ [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 c1ccc(cc1)[As]=O PA0 [2,0,0,0,0,0|1,0,0]=3 69 B10R1.4 C=CCc1ccccc1O 2LP [1,1,0,0,0,0|0,0,1]=3 70 B10R1.15 CCC(=O)c1ccccc1 I1E [1,1,0,0,0,0|0,0,2]=4 71 B10R1.15 C[C@H](C=O)c1ccccc1 1LP [1,1,0,0,0,0|0,0,1]=3 72 B10R1.15 c1ccc(cc1)C(=O)CO HXT [1,1,0,0,0,0|0,0,2]=4 73 B10R1.15 c1ccc(cc1)C(=O)NN WM4 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.15 c1ccc(cc1)C(=O)NO BHO [1,1,0,0,0,0|1,0,1]=4 75 B10R1.15 c1ccc(cc1)N(N=O)O CFI [1,1,0,0,0,0|2,0,0]=4 76 B10R1.18 CC(=O)Oc1ccccc1 QY9 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.18 N=C(\N)/Nc1ccccc1 PL0 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.18 c1ccc(cc1)CC(=O)O PAC [1,1,0,0,0,0|0,0,1]=3 79 B10R1.18 c1ccc(cc1)NC(=O)N PHU [1,1,0,0,0,0|1,0,0]=3 80 B10R1.18 c1ccc(cc1)NC(=S)N URS [1,1,0,0,0,0|1,1,0]=4 81 B10R1.66 c1c(nc[nH]1)C=CC(=O)O URO [0,1,0,0,1,0|2,0,0]=4 82 B12R1.21 Cc1ccc(cc1)CCC(=O)O PPT [0,2,0,0,0,0|0,0,2]=4 83 B12R1.21 c1c(cnc(n1)N)/C=C/C(=O)O XJ0 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.21 c1cc(ccc1/C=C/C(=O)O)O HC4 [0,2,0,0,0,0|0,0,0]=2 85 B12R1.21 c1cc(ccc1CCC(=O)N)Br TCF [0,2,0,0,0,0|0,0,2]=4 86 B12R1.21 c1cc(ccc1CCC(=O)N)O SGI [0,2,0,0,0,0|0,0,2]=4 87 B12R1.21 c1cc(ccc1CCC(=O)O)Cl S0W [0,2,0,0,0,0|0,0,2]=4 88 B12R1.21 c1cc(ccc1CCC(=O)O)N AHC [0,2,0,0,0,0|0,0,2]=4 89 B12R1.21 c1cc(ccc1CCC(=O)O)O HPP [0,2,0,0,0,0|0,0,2]=4 90 B12R1.21 c1cc(ccc1\C=C\[N+](=O)[O-])O P81 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.49 c1cc(ccc1C[C@@H](C=O)N)O TYB [0,2,0,0,0,0|0,0,2]=4 92 B12R1.3 CC[C@H](c1ccccc1)NC=O BAS [0,2,0,0,0,0|1,0,1]=4 93 B12R1.34 C[C@@H](c1ccccc1)N(C)C=O PHC [0,2,0,0,0,0|1,0,1]=4 94 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 FBZ [0,2,0,0,0,0|0,0,2]=4 95 B12R1.107 C\C(=C/N(=O)=O)\c1ccccc1 1L5 [0,2,0,0,0,0|1,0,0]=3 96 B12R1.107 c1ccc(cc1)C(CC(=O)O)N SFE [0,2,0,0,0,0|0,0,2]=4 97 B12R1.125 Cc1ccccc1CCC(=O)O 02Q [0,2,0,0,0,0|0,0,2]=4 98 B12R1.125 c1ccc(c(c1)/C=C/C(=O)O)O 2HC [0,2,0,0,0,0|0,0,0]=2 99 B12R1.125 c1ccc(c(c1)\C=C\[N+](=O)[O-])O P7Y [0,2,0,0,0,0|1,0,0]=3 100 B12R1.226 c1cc(cc(c1)O)\C=C\[N+](=O)[O-] P80 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.252 CC(=O)NCCc1ccccc1 54W [0,2,0,0,0,0|0,0,2]=4 102 B12R1.252 c1ccc(cc1)CCCC(=O)O CLT [0,2,0,0,0,0|0,0,2]=4 103 B12R1.252 c1ccc(cc1)CNCC(=O)O 04Q [0,2,0,0,0,0|0,0,2]=4 104 B12R1.252 c1ccc(cc1)SC=CC(=O)O 4ZD [0,2,0,0,0,0|0,0,0]=2 105 B12R1.43 CC(=O)[C@H](Cc1ccccc1)N HPC [0,2,0,0,0,0|0,0,2]=4 106 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O DPH [0,2,0,0,0,0|0,0,2]=4 107 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O 4LV [0,2,0,0,0,0|0,0,0]=2 108 B12R1.43 c1ccc(cc1)/C=C(/C(=O)O)\N 23F [0,2,0,0,0,0|0,0,0]=2 109 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O 1PY [0,2,0,0,0,0|0,0,1]=3 110 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O PPY [0,2,0,0,0,0|0,0,1]=3 111 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N NFA [0,2,0,0,0,0|0,0,2]=4 112 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)Cl WJ1 [0,2,0,0,0,0|0,0,2]=4 113 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE [0,2,0,0,0,0|0,0,2]=4 114 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE_LFOH [0,2,0,0,0,0|0,0,2]=4 115 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O HFA [0,2,0,0,0,0|0,0,2]=4 116 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LLA [0,2,0,0,0,0|0,0,2]=4 117 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LOF [0,2,0,0,0,0|0,0,2]=4 118 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)[NH-] PHE_LEO2H [0,2,0,0,0,0|0,0,2]=4 119 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH-] PHE_LEO2 [0,2,0,0,0,0|0,0,2]=4 120 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+] PHE_LFZW [0,2,0,0,0,0|0,0,2]=4 121 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl WJ2 [0,2,0,0,0,0|0,0,2]=4 122 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N DPN [0,2,0,0,0,0|0,0,2]=4 123 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O HF2 [0,2,0,0,0,0|0,0,2]=4 124 B12R1.43 c1ccc(cc1)\C=C(\C(=O)O)/F 4LW [0,2,0,0,0,0|0,0,0]=2 125 B10R1.30 c1cc(c(cc1O)C=O)Br 1DW [0,0,1,1,0,0|2,0,0]=4 126 B10R2.7 c1cc2c(cc[nH]2)nc1 4JP [1,0,0,1,0,0|2,0,0]=4 127 B10R2.7 c1cc2cc[nH]c2nc1 GVH [1,0,0,1,0,0|2,0,0]=4 128 B10R2.7 c1cc[n+]2cc[nH]c2c1 MPI [1,0,0,1,0,0|2,0,0]=4 129 B10R2.7 c1ccc2c(c1)CC=C2 DEN [1,0,0,1,0,0|0,0,1]=3 130 B10R2.7 c1ccc2c(c1)[nH]cn2 BZI [1,0,0,1,0,0|2,0,0]=4 131 B10R2.7 c1ccc2c(c1)cc[nH]2 IND [1,0,0,1,0,0|1,0,0]=3 132 B10R2.7 c1ccc2c(c1)cco2 BZF [1,0,0,1,0,0|0,0,1]=3 133 B10R2.7 c1ccc2c(c1)cn[nH]2 LZ1 [1,0,0,1,0,0|2,0,0]=4 134 B10R2.7 c1ccc2c(c1)cno2 0R1 [1,0,0,1,0,0|1,0,1]=4 135 B10R2.7 c1ccc2c(c1)ncs2 BOT [1,0,0,1,0,0|1,1,0]=4 136 B12R2.24 c1cc2cc(ccc2nc1)N ES5 [0,1,0,1,0,0|1,0,0]=3 137 B12R2.24 c1ccc2c(c1)C=CC(=O)N2 OCH [0,1,0,1,0,0|0,0,0]=2 138 B12R2.24 c1ccc2c(c1)C=CC(=O)O2 COU [0,1,0,1,0,0|0,0,0]=2 139 B12R2.24 c1ccc2c(c1)cc(cn2)N 4FS [0,1,0,1,0,0|1,0,0]=3 140 B12R2.24 c1ccc2c(c1)ccc(n2)N 2AQ [0,1,0,1,0,0|1,0,0]=3 141 B12R2.24 c1ccc2cc(ccc2c1)O 03V [0,1,0,1,0,0|0,0,1]=3 142 B12R2.132 c1cc2c(cc1Cl)C(=O)NC2 1P7 [0,1,0,1,0,0|1,0,1]=4 143 B12R2.2 c1ccc(cc1)c2[nH]ccn2 PIY [0,1,0,1,0,0|1,0,0]=3 144 B12R2.2 c1ccc(cc1)c2cnc[nH]2 PIM [0,1,0,1,0,0|1,0,0]=3 145 B12R2.2 c1ccc(cc1)n2ccnc2 PIW [0,1,0,1,0,0|2,0,0]=4 146 B12R2.2 c1cnccc1c2[nH]ccn2 4FL [0,1,0,1,0,0|2,0,0]=4 147 B12R2.2 c1cnccc1c2cnc[nH]2 4F9 [0,1,0,1,0,0|2,0,0]=4 148 B12R2.1081 c1cc2c(cccn2)c(c1)Br 4XH [0,1,0,1,0,0|1,0,0]=3 149 B12R2.1081 c1cc2c(cccn2)c(c1)O 5Q0 [0,1,0,1,0,0|1,0,0]=3 150 B12R2.1081 c1cc2cccnc2c(c1)N Q8A [0,1,0,1,0,0|1,0,0]=3 151 B12R2.1081 c1cc2cccnc2c(c1)O HQY [0,1,0,1,0,0|1,0,0]=3 152 B12R2.1081 c1cc2cnccc2c(c1)N 5IQ [0,1,0,1,0,0|2,0,0]=4 153 B12R2.1081 c1cc2cnccc2c(c1)O 5SG [0,1,0,1,0,0|1,0,1]=4 154 B12R2.1081 c1ccc2c(c1)C(=O)N=CN2 JPZ [0,1,0,1,0,0|1,0,0]=3 155 B12R2.1081 c1ccc2c(c1)C=CNC2=O 4YS [0,1,0,1,0,0|0,0,0]=2 156 B12R2.1081 c1ccc2c(c1)CCNC2=O JOZ [0,1,0,1,0,0|0,0,2]=4 157 B12R2.1081 c1ccc2c(c1)c(ccn2)N 1LM [0,1,0,1,0,0|1,0,0]=3 158 B12R2.1081 c1ccc2c(c1)c(ccn2)O ES1 [0,1,0,1,0,0|0,0,1]=3 159 B12R2.1081 c1ccc2c(c1)c(ncn2)N 1LQ [0,1,0,1,0,0|2,0,0]=4 160 B12R2.1081 c1ccc2c(c1)cccc2Cl 15O [0,1,0,1,0,0|1,0,0]=3 161 B12R2.1081 c1ccc2c(c1)cccc2O 1NP [0,1,0,1,0,0|0,0,1]=3 162 B12R2.1081 c1ccc2c(c1)cccc2S 2XH [0,1,0,1,0,0|0,1,0]=3 163 B12R2.1081 c1ccc2c(c1)ccnc2N 1SQ [0,1,0,1,0,0|1,0,0]=3 164 B12R2.1081 c1cncc2c1C(=O)NC=N2 N5J [0,1,0,1,0,0|2,0,0]=4 165 B12R2.2028 Cn1cc(c2c1cccc2)O MHD [0,1,0,1,0,0|1,0,1]=4 166 B12R2.2028 c1ccc2c(c1)c([nH]c2N)N 1XN [0,1,0,1,0,0|2,0,0]=4 167 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O I3A [0,1,0,1,0,0|0,0,0]=2 168 B12R2.1 c1ccc2c(c1)c(cs2)CN K9S [0,1,0,1,0,0|1,0,1]=4 169 B12R2.1 c1ccc2c(c1)c(cs2)CO 4W1 [0,1,0,1,0,0|0,0,2]=4 170 B12R2.18 CN1Cc2ccccc2C1=O 5WV [0,1,0,1,0,0|1,0,1]=4 171 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 ISN [0,1,0,1,0,0|1,0,0]=3