0 B9R1.8 CCCc1ccccc1 3H0 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.8 CCOc1ccccc1 16Q [0,0,0,0,0,0|2,0,0]=2 2 B9R1.8 CCSc1ccccc1 16M [0,0,0,0,0,0|2,0,0]=2 3 B9R1.8 CNCc1ccccc1 271 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.8 CSCc1ccccc1 PTF [0,0,0,0,0,0|2,0,0]=2 5 B9R1.8 c1cc(cnc1)CCN 45X [0,0,0,0,0,0|3,0,0]=3 6 B9R1.8 c1ccc(cc1)CC=O HY1 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.8 c1ccc(cc1)CCCl CEE [0,0,0,0,0,0|2,0,0]=2 8 B9R1.8 c1ccc(cc1)CCO PEL [0,0,0,0,0,0|2,0,0]=2 9 B9R1.8 c1ccc(cc1)CC[NH3+] PEA [0,0,0,0,0,0|2,0,0]=2 10 B9R1.8 c1ccc(cc1)CNN BZZ [0,0,0,0,0,0|3,0,0]=3 11 B9R1.8 c1ccc(cc1)CON OBZ [0,0,0,0,0,0|3,0,0]=3 12 B9R1.8 c1ccc(cc1)N=C=S FTE [0,0,0,0,0,0|3,0,1]=4 13 B9R1.8 c1ccc(cc1)NC=O FAN [0,0,0,0,0,0|3,0,1]=4 14 B9R1.8 c1ccc(cc1)NC=S 0FI [0,0,0,0,0,0|3,0,1]=4 15 B8R1.2 B1(C=CC=CN1)CC 6OQ [1,0,0,0,0,0|1,0,1]=3 16 B8R1.2 B1C=CC=CN1CC B24 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.2 C=Cc1ccccc1 SYN [1,0,0,0,0,0|1,0,2]=4 18 B8R1.2 CCc1ccccc1 N2B [1,0,0,0,0,0|1,0,0]=2 19 B8R1.2 CCc1ccccc1 PYJ [1,0,0,0,0,0|1,0,0]=2 20 B8R1.2 CNc1ccccc1 1MR [1,0,0,0,0,0|2,0,0]=3 21 B8R1.2 COc1cccnc1 282 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.2 CSc1ccccc1 16R [1,0,0,0,0,0|2,0,0]=3 23 B8R1.2 c1cc(cnc1)CN 0YC [1,0,0,0,0,0|3,0,0]=4 24 B8R1.2 c1cc(cnc1)CO PYF [1,0,0,0,0,0|3,0,0]=4 25 B8R1.2 c1cc(cnc1)CS PY2 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.2 c1ccc(cc1)C=O HBX [1,0,0,0,0,0|2,0,1]=4 27 B8R1.2 c1ccc(cc1)CCl 9CL [1,0,0,0,0,0|2,0,0]=3 28 B8R1.2 c1ccc(cc1)CN ABN [1,0,0,0,0,0|2,0,0]=3 29 B8R1.2 c1ccc(cc1)CO 010 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.2 c1ccc(cc1)N=O NBE [1,0,0,0,0,0|3,0,0]=4 31 B8R1.2 c1ccc(cc1)NN PHZ [1,0,0,0,0,0|3,0,0]=4 32 B8R1.2 c1ccc(cc1)[As]=O PA0 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.2 c1ccnc(c1)CN APY [1,0,0,0,0,0|1,0,0]=2 34 B8R1.2 c1cnccc1CN NNW [1,0,0,0,0,0|3,0,0]=4 35 B8R1.2 c1cnccc1CO PY7 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.1 c1cc(ccc1CC#N)O 3AQ [0,1,0,0,0,0|2,0,1]=4 37 B10R1.1 c1cc(ccc1CCN)O AEF [0,1,0,0,0,0|2,0,0]=3 38 B10R1.1 c1cc(ccc1CCO)F 4FA [0,1,0,0,0,0|2,0,0]=3 39 B10R1.1 c1cc(ccc1CCO)O YRL [0,1,0,0,0,0|2,0,0]=3 40 B10R1.4 C1=CC=[N](C(=C1)N)CCO 1LN [0,1,0,0,0,0|3,0,0]=4 41 B10R1.4 C=CCc1ccccc1O 2LP [0,1,0,0,0,0|1,0,2]=4 42 B10R1.4 CCCc1ccccc1N PRY [0,1,0,0,0,0|1,0,0]=2 43 B10R1.4 CCCc1ccccc1O JZ4 [0,1,0,0,0,0|1,0,0]=2 44 B10R1.4 CCOc1ccccc1O 261 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.4 c1ccc(c(c1)CCN)F BSX [0,1,0,0,0,0|2,0,0]=3 46 B10R1.15 C#C[C@H](c1ccccc1)O 1DJ [0,1,0,0,0,0|1,0,2]=4 47 B10R1.15 CCC(=O)c1ccccc1 I1E [0,1,0,0,0,0|1,0,1]=3 48 B10R1.15 CC[C@@H](C)c1ccccc1 3GY [0,1,0,0,0,0|1,0,0]=2 49 B10R1.15 C[C@H](C=O)c1ccccc1 1LP [0,1,0,0,0,0|2,0,1]=4 50 B10R1.15 c1ccc(cc1)C(=O)CO HXT [0,1,0,0,0,0|2,0,1]=4 51 B10R1.15 c1ccc(cc1)[C@@H](C#N)O MNN [0,1,0,0,0,0|2,0,1]=4 52 B10R1.15 c1ccc(cc1)[C@H](C#N)O MXN [0,1,0,0,0,0|2,0,1]=4 53 B10R1.15 c1ccc(cc1)[C@H](CO)O FEH [0,1,0,0,0,0|2,0,0]=3 54 B10R1.17 C=CCNc1ccccc1 NYL [0,1,0,0,0,0|1,0,2]=4 55 B10R1.17 CCCCc1ccccc1 N4B [0,1,0,0,0,0|1,0,0]=2 56 B10R1.17 c1ccc(cc1)CCC=O 3PL [0,1,0,0,0,0|1,0,1]=3 57 B10R1.17 c1ccc(cc1)CCCCl LT1 [0,1,0,0,0,0|1,0,0]=2 58 B10R1.17 c1ccc(cc1)CCC[NH3+] PRA [0,1,0,0,0,0|1,0,0]=2 59 B10R1.17 c1ccc(cc1)CNC=O BNF [0,1,0,0,0,0|2,0,1]=4 60 B10R1.17 c1ccc(cc1)CNC=S 9BE [0,1,0,0,0,0|2,0,1]=4 61 B10R1.17 c1ccc(cc1)COC=O BZO [0,1,0,0,0,0|2,0,1]=4 62 B10R1.17 c1ccc(cc1)COC=O CBZ [0,1,0,0,0,0|2,0,1]=4 63 B10R1.17 c1ccc(cc1)NCC#N 264 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.17 c1ccc(cc1)OCCCl 258 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.17 c1ccc(cc1)OCCO 268 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.17 c1cnccc1NCCN 01R [0,1,0,0,0,0|3,0,0]=4 67 B10R1.18 CC(=O)Oc1ccccc1 QY9 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.18 CC(C)Cc1ccccc1 I4B [0,1,0,0,0,0|1,0,0]=2 69 B10R1.18 C[C@@H](Cc1ccccc1)N 1WE [0,1,0,0,0,0|1,0,0]=2 70 B10R1.18 C[C@H](Cc1ccccc1)N FRD [0,1,0,0,0,0|1,0,0]=2 71 B10R1.18 c1ccc(cc1)CC(=O)O PAC [0,1,0,0,0,0|2,0,1]=4 72 B10R2.6 c1ccc(cc1)[C@@H]2CO2 RSO [0,0,0,1,0,0|2,0,0]=3 73 B10R2.7 c1cc2c(cc[nH]2)nc1 4JP [0,0,0,1,0,0|1,0,2]=4 74 B10R2.7 c1cc2cc[nH]c2nc1 GVH [0,0,0,1,0,0|1,0,2]=4 75 B10R2.7 c1ccc2c(c1)CC=C2 DEN [0,0,0,1,0,0|1,0,2]=4 76 B10R2.7 c1ccc2c(c1)CCC2 16N [0,0,0,1,0,0|1,0,0]=2 77 B10R2.7 c1ccc2c(c1)CCN2 IDM [0,0,0,1,0,0|2,0,0]=3 78 B8R1.8 c1c(nc[nH]1)CCN HSM [0,0,0,0,1,0|2,0,0]=3 79 B8R1.8 c1cc(oc1)CCN 56T [0,0,0,0,1,0|2,0,0]=3 80 B8R1.8 c1cnn(c1)CCO 1DU [0,0,0,0,1,0|2,0,0]=3 81 B7R1.3 Cc1ccccc1 MBN [2,0,0,0,0,0|1,0,0]=3 82 B7R1.3 Cc1cccnc1 3MP [2,0,0,0,0,0|2,0,0]=4 83 B7R1.3 c1cc[nH+]c(c1)N 2AP [2,0,0,0,0,0|1,0,1]=4 84 B7R1.3 c1ccc(cc1)Cl 8CL [2,0,0,0,0,0|2,0,0]=4 85 B7R1.3 c1ccc(cc1)I PIH [2,0,0,0,0,0|2,0,0]=4 86 B7R1.3 c1ccc(cc1)N ANL [2,0,0,0,0,0|2,0,0]=4 87 B7R1.3 c1ccc(cc1)O IPH [2,0,0,0,0,0|2,0,0]=4 88 B7R1.3 c1ccc(cc1)S BT6 [2,0,0,0,0,0|2,0,0]=4 89 B7R1.3 c1ccc(cc1)[Hg] PHG [2,0,0,0,0,0|2,0,0]=4 90 B7R1.3 c1ccnc(c1)S PYS [2,0,0,0,0,0|1,0,0]=3 91 B7R1.3 c1cnc(nc1)N LGA [2,0,0,0,0,0|2,0,0]=4 92 B9R1.1 CCc1ccc(cc1)O ETY [1,1,0,0,0,0|1,0,0]=3 93 B9R1.1 COc1ccc(cc1)Br BOP [1,1,0,0,0,0|2,0,0]=4 94 B9R1.1 COc1ccc(cc1)O 4KS [1,1,0,0,0,0|2,0,0]=4 95 B9R1.1 CSc1ccc(cc1)N 4JM [1,1,0,0,0,0|2,0,0]=4 96 B9R1.1 Cc1ccc(cc1)CN 02N [1,1,0,0,0,0|2,0,0]=4 97 B9R1.1 c1cc(ccc1CN)Br PZH [1,1,0,0,0,0|2,0,0]=4 98 B9R1.1 c1cc(ccc1CN)Cl C2B [1,1,0,0,0,0|2,0,0]=4 99 B9R1.1 c1cc(ccc1CN)N 4ZY [1,1,0,0,0,0|2,0,0]=4 100 B9R1.1 c1cc(ccc1CO)Br BRB [1,1,0,0,0,0|2,0,0]=4 101 B9R1.1 c1cc(ccc1CO)Cl 4JL [1,1,0,0,0,0|2,0,0]=4 102 B9R1.1 c1cc(ccc1C[NH3+])F FBA [1,1,0,0,0,0|2,0,0]=4 103 B9R1.2 Cc1cccc(c1)CN ZF0 [1,1,0,0,0,0|2,0,0]=4 104 B9R1.2 c1cc(cc(c1)Br)CN 4JH [1,1,0,0,0,0|2,0,0]=4 105 B9R1.2 c1cc(cc(c1)Cl)CN C2A [1,1,0,0,0,0|2,0,0]=4 106 B9R1.2 c1cc(cc(c1)F)CN ZDV [1,1,0,0,0,0|2,0,0]=4 107 B9R1.2 c1cc(cc(c1)I)CO IOB [1,1,0,0,0,0|2,0,0]=4 108 B9R1.2 c1cc(cc(c1)N)CN DBP [1,1,0,0,0,0|2,0,0]=4 109 B9R1.2 c1cc(cc(c1)O)CO 3HY [1,1,0,0,0,0|2,0,0]=4 110 B9R1.2 c1cc(nc(c1)Br)CO 4HU [1,1,0,0,0,0|1,0,0]=3 111 B9R1.2 c1cnc(cc1Cl)CN NNY [1,1,0,0,0,0|1,0,0]=3 112 B9R1.2 c1cnc(cc1Cl)CO HM3 [1,1,0,0,0,0|1,0,0]=3 113 B9R1.6 CC(=O)c1ccccc1 AC0 [1,1,0,0,0,0|1,0,1]=4 114 B9R1.6 C[C@@H](c1ccccc1)N 98B [1,1,0,0,0,0|1,0,0]=3 115 B9R1.6 C[C@@H](c1ccccc1)O SS1 [1,1,0,0,0,0|1,0,0]=3 116 B9R1.6 C[C@H](c1ccccc1)N QSC [1,1,0,0,0,0|1,0,0]=3 117 B9R1.6 C[C@H](c1ccccc1)O SS2 [1,1,0,0,0,0|1,0,0]=3 118 B9R1.6 c1ccnc(c1)C(=O)N WM1 [1,1,0,0,0,0|1,0,1]=4 119 B9R1.6 c1ccnc(c1)C(=O)O 6PC [1,1,0,0,0,0|1,0,1]=4 120 B9R1.15 CCc1ccccc1O JZ1 [1,1,0,0,0,0|1,0,0]=3 121 B9R1.15 COc1ccccc1O JZ3 [1,1,0,0,0,0|2,0,0]=4 122 B9R1.15 C[n+]1ccccc1CN NNZ [1,1,0,0,0,0|1,0,1]=4 123 B9R1.15 Cc1ccccc1CN KNN [1,1,0,0,0,0|2,0,0]=4 124 B9R1.15 c1ccc(c(c1)CN)Cl 02R [1,1,0,0,0,0|2,0,0]=4 125 B9R1.15 c1ccc(c(c1)CO)Br 4HR [1,1,0,0,0,0|2,0,0]=4 126 B9R1.15 c1ccc(c(c1)CO)N SOA [1,1,0,0,0,0|2,0,0]=4 127 B9R1.15 c1ccc(c(c1)CO)O SA9 [1,1,0,0,0,0|2,0,0]=4 128 B9R1.15 c1ccc(c(c1)CS)I IBZ [1,1,0,0,0,0|2,0,0]=4 129 B9R1.11 CC[C@@H](C)c1nccs1 TZL [0,1,0,0,1,0|1,0,0]=3 130 B9R1.12 CCCCn1cncn1 40R [0,1,0,0,1,0|2,0,0]=4 131 B9R1.33 CNCc1nccn1C 4AS [0,1,0,0,1,0|2,0,0]=4 132 B11R1.1 c1cc(ncc1Cl)SCCO YPN [0,2,0,0,0,0|1,0,0]=3 133 B11R1.20 C[C@H](Cc1ccc(cc1)O)N AEG [0,2,0,0,0,0|1,0,0]=3 134 B11R1.22 c1cc(ccc1[C@@H](CN)O)F 489 [0,2,0,0,0,0|2,0,0]=4 135 B11R1.22 c1cc(ccc1[C@@H](CN)O)O OTS [0,2,0,0,0,0|2,0,0]=4 136 B11R1.22 c1cc(ccc1[C@H](CN)O)O OTR [0,2,0,0,0,0|2,0,0]=4 137 B11R1.83 COc1ccc(cc1)CCN ZHH [0,2,0,0,0,0|2,0,0]=4 138 B11R1.192 c1cc(c(cc1CCN)Cl)Cl 42J [0,2,0,0,0,0|2,0,0]=4 139 B11R1.192 c1cc(c(cc1CCN)O)O LDP [0,2,0,0,0,0|2,0,0]=4 140 B11R1.34 CCCC1=CC(=O)NC(=N1)N EV0 [0,2,0,0,0,0|1,0,0]=3 141 B11R1.34 CCCC1=CC(=O)NC(=S)N1 3CJ [0,2,0,0,0,0|1,0,1]=4 142 B11R1.34 CCCc1cc(cc(n1)N)C AS3 [0,2,0,0,0,0|0,0,0]=2 143 B11R1.16 CCCC(=O)c1cccnc1 PBO [0,2,0,0,0,0|2,0,0]=4 144 B11R1.16 c1ccc(cc1)C(=O)CCO P18 [0,2,0,0,0,0|1,0,1]=4 145 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O 269 [0,2,0,0,0,0|1,0,0]=3 146 B11R1.36 C[C@H]([C@@H](c1ccccc1)O)N NPU [0,2,0,0,0,0|1,0,0]=3 147 B11R1.28 CCCCCc1ccccc1 3H2 [0,2,0,0,0,0|1,0,0]=3 148 B11R1.28 c1ccc(cc1)CCCCN PBN [0,2,0,0,0,0|1,0,0]=3 149 B11R1.28 c1ccc(cc1)CCNC=O EOA [0,2,0,0,0,0|1,0,1]=4 150 B11R1.28 c1ccc(cc1)CCNC=S LE2 [0,2,0,0,0,0|1,0,1]=4 151 B11R1.40 CC[C@H](Cc1ccccc1)N PO0 [0,2,0,0,0,0|1,0,0]=3 152 B11R1.40 C[C@@H](Cc1ccccc1)NC B40 [0,2,0,0,0,0|1,0,0]=3 153 B11R1.40 c1ccc(cc1)C[C@@H](C=O)N PHA [0,2,0,0,0,0|1,0,1]=4 154 B11R1.40 c1ccc(cc1)C[C@@H](CO)N PHL [0,2,0,0,0,0|1,0,0]=3 155 B11R1.40 c1ccc(cc1)C[C@@H](CO)O PPP [0,2,0,0,0,0|1,0,0]=3 156 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH-] PHE_LL [0,2,0,0,0,0|1,0,1]=4 157 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH3+] PHE_LSN3 [0,2,0,0,0,0|1,0,1]=4 158 B11R1.40 c1ccc(cc1)C[C@H](CO)N PDH [0,2,0,0,0,0|1,0,0]=3 159 B11R1.91 B(CCc1ccccc1)(O)O PBA [0,2,0,0,0,0|2,0,0]=4 160 B11R1.91 CC(=O)OCc1ccccc1 J0Z [0,2,0,0,0,0|1,0,1]=4 161 B11R1.91 C[C@H](CCc1ccccc1)N 4DD [0,2,0,0,0,0|1,0,0]=3 162 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [0,2,0,0,0,0|1,0,1]=4 163 B11R1.509 c1ccnc(c1)CP(=O)(O)O SYC [0,2,0,0,0,0|2,0,0]=4 164 B11R2.10 c1ccc2c(c1)CC(C2)N XM0 [0,1,0,1,0,0|1,0,0]=3 165 B11R2.20 c1ccc2c(c1)CCNC2 2CK [0,1,0,1,0,0|1,0,0]=3 166 B11R2.1 c1ccc2c(c1)CCC2=O 1ON [0,1,0,1,0,0|1,0,1]=4 167 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N GJZ [0,1,0,1,0,0|1,0,0]=3 168 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2[NH3+] TPA [0,1,0,1,0,0|1,0,0]=3 169 B7R1.1 CCc1[nH]ccn1 2EZ [1,0,0,0,1,0|1,0,0]=3 170 B7R1.1 c1cnc([nH]1)CO BVG [1,0,0,0,1,0|2,0,0]=4 171 B7R1.1 c1cscc1CN BVC [1,0,0,0,1,0|2,0,0]=4