0 B9R1.6 B(c1ccccc1)(O)O PBC [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 CC(=O)c1ccccc1 AC0 [0,0,0,0,0,0|0,0,2]=2 2 B9R1.6 C[C@@H](c1ccccc1)N 98B [0,0,0,0,0,0|1,0,0]=1 3 B9R1.6 C[C@@H](c1ccccc1)O SS1 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.6 C[C@H](c1ccccc1)N QSC [0,0,0,0,0,0|1,0,0]=1 5 B9R1.6 C[C@H](c1ccccc1)O SS2 [0,0,0,0,0,0|0,0,0]=0 6 B9R1.6 N=C(/c1ccccc1)\N BEN [0,0,0,0,0,0|2,0,1]=3 7 B9R1.6 c1cc(cnc1)C(=O)N NCA [0,0,0,0,0,0|2,0,2]=4 8 B9R1.6 c1cc(cnc1)C(=O)O NIO [0,0,0,0,0,0|2,0,1]=3 9 B9R1.6 c1ccc(cc1)C(=N)N BDN [0,0,0,0,0,0|2,0,1]=3 10 B9R1.6 c1ccc(cc1)C(=O)N UNU [0,0,0,0,0,0|1,0,2]=3 11 B9R1.6 c1ccc(cc1)C(=O)O BEZ [0,0,0,0,0,0|1,0,1]=2 12 B9R1.6 c1ccc(cc1)C(=O)O BOX [0,0,0,0,0,0|1,0,1]=2 13 B9R1.6 c1ccc(cc1)C(=[NH2+])N BAM [0,0,0,0,0,0|2,0,1]=3 14 B9R1.6 c1ccc(cc1)[N+](=O)[O-] NBZ [0,0,0,0,0,0|2,0,1]=3 15 B9R1.6 c1ccnc(c1)C(=O)N WM1 [0,0,0,0,0,0|2,0,2]=4 16 B9R1.6 c1ccnc(c1)C(=O)O 6PC [0,0,0,0,0,0|2,0,1]=3 17 B9R1.6 c1cnc(cn1)C(=O)O VGL [0,0,0,0,0,0|3,0,1]=4 18 B9R1.6 c1cnccc1C(=N)N NTN [0,0,0,0,0,0|3,0,1]=4 19 B8R1.2 B1(C=CC=CN1)CC 6OQ [1,0,0,0,0,0|2,0,0]=3 20 B8R1.2 B1C=CC=CN1CC B24 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.2 C=Cc1ccccc1 SYN [1,0,0,0,0,0|0,0,2]=3 22 B8R1.2 CCc1ccccc1 N2B [1,0,0,0,0,0|0,0,0]=1 23 B8R1.2 CCc1ccccc1 PYJ [1,0,0,0,0,0|0,0,0]=1 24 B8R1.2 CNc1ccccc1 1MR [1,0,0,0,0,0|1,0,0]=2 25 B8R1.2 COc1cccnc1 282 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.2 CSc1ccccc1 16R [1,0,0,0,0,0|1,0,0]=2 27 B8R1.2 c1cc(cnc1)CN 0YC [1,0,0,0,0,0|2,0,0]=3 28 B8R1.2 c1cc(cnc1)CO PYF [1,0,0,0,0,0|1,0,0]=2 29 B8R1.2 c1cc(cnc1)CS PY2 [1,0,0,0,0,0|1,1,0]=3 30 B8R1.2 c1ccc(cc1)C=O HBX [1,0,0,0,0,0|0,0,2]=3 31 B8R1.2 c1ccc(cc1)CCl 9CL [1,0,0,0,0,0|1,0,0]=2 32 B8R1.2 c1ccc(cc1)CN ABN [1,0,0,0,0,0|1,0,0]=2 33 B8R1.2 c1ccc(cc1)CO 010 [1,0,0,0,0,0|0,0,0]=1 34 B8R1.2 c1ccc(cc1)N=O NBE [1,0,0,0,0,0|1,0,1]=3 35 B8R1.2 c1ccc(cc1)NN PHZ [1,0,0,0,0,0|2,0,0]=3 36 B8R1.2 c1ccc(cc1)[As]=O PA0 [1,0,0,0,0,0|1,0,1]=3 37 B8R1.2 c1ccnc(c1)CN APY [1,0,0,0,0,0|2,0,0]=3 38 B8R1.2 c1cnccc1CN NNW [1,0,0,0,0,0|2,0,0]=3 39 B8R1.2 c1cnccc1CO PY7 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.13 CC(=O)c1ccc(cc1)Br PBP [0,1,0,0,0,0|0,0,2]=3 41 B10R1.13 CC(=O)c1ccc(cc1)O AC6 [0,1,0,0,0,0|0,0,2]=3 42 B10R1.13 CC(C)c1ccc(cc1)N ISO [0,1,0,0,0,0|1,0,0]=2 43 B10R1.13 Cc1ccc(cc1)C(=O)O 4MA [0,1,0,0,0,0|1,0,1]=3 44 B10R1.13 Cc1ccc(cc1)C(C)C MML [0,1,0,0,0,0|1,0,0]=2 45 B10R1.13 Cc1ccc(cc1)[S@@](=O)O TOS [0,1,0,0,0,0|2,0,0]=3 46 B10R1.13 c1cc(ccc1C(=O)N)O HBD [0,1,0,0,0,0|1,0,2]=4 47 B10R1.13 c1cc(ccc1C(=O)O)Br Z82 [0,1,0,0,0,0|1,0,1]=3 48 B10R1.13 c1cc(ccc1C(=O)O)Cl 174 [0,1,0,0,0,0|1,0,1]=3 49 B10R1.13 c1cc(ccc1C(=O)O)F 1Y6 [0,1,0,0,0,0|1,0,1]=3 50 B10R1.13 c1cc(ccc1C(=O)O)N PAB [0,1,0,0,0,0|1,0,1]=3 51 B10R1.13 c1cc(ccc1C(=O)O)O PHB [0,1,0,0,0,0|1,0,1]=3 52 B10R1.13 c1cc(ccc1C(=O)O)[Hg] MBO [0,1,0,0,0,0|1,0,1]=3 53 B10R1.13 c1cc(ccc1C(=[NH2+])N)N PBZ [0,1,0,0,0,0|2,0,1]=4 54 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] NIT [0,1,0,0,0,0|2,0,1]=4 55 B10R1.13 c1cc(ccc1[N+](=O)[O-])O NPO [0,1,0,0,0,0|2,0,1]=4 56 B10R1.15 C#C[C@H](c1ccccc1)O 1DJ [0,1,0,0,0,0|0,0,1]=2 57 B10R1.15 CCC(=O)c1ccccc1 I1E [0,1,0,0,0,0|0,0,2]=3 58 B10R1.15 CC[C@@H](C)c1ccccc1 3GY [0,1,0,0,0,0|1,0,0]=2 59 B10R1.15 C[C@H](C=O)c1ccccc1 1LP [0,1,0,0,0,0|0,0,1]=2 60 B10R1.15 c1ccc(cc1)C(=O)CO HXT [0,1,0,0,0,0|0,0,2]=3 61 B10R1.15 c1ccc(cc1)C(=O)NN WM4 [0,1,0,0,0,0|1,0,2]=4 62 B10R1.15 c1ccc(cc1)C(=O)NO BHO [0,1,0,0,0,0|1,0,1]=3 63 B10R1.15 c1ccc(cc1)N(N=O)O CFI [0,1,0,0,0,0|2,0,0]=3 64 B10R1.15 c1ccc(cc1)[C@@H](C#N)O MNN [0,1,0,0,0,0|0,0,1]=2 65 B10R1.15 c1ccc(cc1)[C@H](C#N)O MXN [0,1,0,0,0,0|0,0,1]=2 66 B10R1.15 c1ccc(cc1)[C@H](CO)O FEH [0,1,0,0,0,0|0,0,0]=1 67 B10R1.28 CS(=O)(=O)c1ccccc1 SML [0,1,0,0,0,0|1,0,1]=3 68 B10R1.28 c1ccc(cc1)P(=O)(O)O SV7 [0,1,0,0,0,0|2,0,0]=3 69 B10R1.28 c1ccc(cc1)S(=O)(=O)N FB2 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.28 c1ccc(cc1)S(=O)(=O)O BNS [0,1,0,0,0,0|2,0,0]=3 71 B10R1.28 c1cnccc1S(=O)(=O)O SPY [0,1,0,0,0,0|3,0,0]=4 72 B10R1.61 C1=CNC(=O)C(=C1)C(=O)O ES6 [0,1,0,0,0,0|2,0,1]=4 73 B10R1.61 CC(=O)c1ccccc1N VNJ [0,1,0,0,0,0|0,0,2]=3 74 B10R1.61 CC(C)c1ccccc1O IP0 [0,1,0,0,0,0|1,0,0]=2 75 B10R1.61 Cc1ccccc1C(=O)O 3SK [0,1,0,0,0,0|1,0,1]=3 76 B10R1.61 c1cc(c(nc1)C(=O)O)O MHW [0,1,0,0,0,0|2,0,1]=4 77 B10R1.61 c1cc(c(nc1)C(=O)O)S 1WD [0,1,0,0,0,0|2,0,1]=4 78 B10R1.61 c1ccc(c(c1)C(=O)N)N 2AE [0,1,0,0,0,0|1,0,2]=4 79 B10R1.61 c1ccc(c(c1)C(=O)N)O OHB [0,1,0,0,0,0|1,0,2]=4 80 B10R1.61 c1ccc(c(c1)C(=O)O)F 3U4 [0,1,0,0,0,0|1,0,1]=3 81 B10R1.61 c1ccc(c(c1)C(=O)O)N 6AB [0,1,0,0,0,0|1,0,1]=3 82 B10R1.61 c1ccc(c(c1)C(=O)O)N BE2 [0,1,0,0,0,0|1,0,1]=3 83 B10R1.61 c1ccc(c(c1)C(=O)O)O SAL [0,1,0,0,0,0|1,0,1]=3 84 B10R1.61 c1ccc(c(c1)C(=O)O)S JKE [0,1,0,0,0,0|1,0,1]=3 85 B10R1.61 c1ccc(c(c1)[N+](=O)O)O CG3 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O OPO [0,1,0,0,0,0|2,0,1]=4 87 B10R1.61 c1cncc(c1C(=O)O)N 4SV [0,1,0,0,0,0|2,0,1]=4 88 B10R1.113 B(c1cccc(c1)N)(O)O APB [0,1,0,0,0,0|2,0,0]=3 89 B10R1.113 CC(=O)c1cccc(c1)N 3AO [0,1,0,0,0,0|0,0,2]=3 90 B10R1.113 CC(=O)c1cccc(c1)O 53C [0,1,0,0,0,0|0,0,2]=3 91 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] 3NT [0,1,0,0,0,0|2,0,1]=4 92 B10R1.113 c1c(cncc1O)C(=O)O 5HN [0,1,0,0,0,0|2,0,1]=4 93 B10R1.113 c1cc(cc(c1)Cl)C(=O)N WCE [0,1,0,0,0,0|1,0,2]=4 94 B10R1.113 c1cc(cc(c1)Cl)C(=O)O 3BZ [0,1,0,0,0,0|1,0,1]=3 95 B10R1.113 c1cc(cc(c1)N)C(=O)N 3AB [0,1,0,0,0,0|1,0,2]=4 96 B10R1.113 c1cc(cc(c1)N)C(=O)O GAB [0,1,0,0,0,0|1,0,1]=3 97 B10R1.113 c1cc(cc(c1)O)C(=O)O 3HB [0,1,0,0,0,0|1,0,1]=3 98 B10R1.113 c1cc(nc(c1)O)C(=O)O 53B [0,1,0,0,0,0|2,0,1]=4 99 B10R2.6 c1ccc(cc1)[C@@H]2CO2 RSO [0,0,0,1,0,0|0,0,0]=1 100 B8R1.7 c1cc(oc1)C(=O)O FOA [0,0,0,0,1,0|2,0,1]=4 101 B8R1.7 c1cc(sc1)C(=O)O C21 [0,0,0,0,1,0|2,0,1]=4 102 B10R1.18 CC(=O)Oc1ccccc1 QY9 [0,0,0,0,0,1|0,0,2]=3 103 B10R1.18 CC(C)Cc1ccccc1 I4B [0,0,0,0,0,1|1,0,0]=2 104 B10R1.18 C[C@@H](Cc1ccccc1)N 1WE [0,0,0,0,0,1|1,0,0]=2 105 B10R1.18 C[C@H](Cc1ccccc1)N FRD [0,0,0,0,0,1|1,0,0]=2 106 B10R1.18 N=C(\N)/Nc1ccccc1 PL0 [0,0,0,0,0,1|2,0,1]=4 107 B10R1.18 c1ccc(cc1)CC(=O)O PAC [0,0,0,0,0,1|1,0,1]=3 108 B10R1.18 c1ccc(cc1)NC(=O)N PHU [0,0,0,0,0,1|1,0,2]=4 109 B10R1.18 c1ccc(cc1)NC(=S)N URS [0,0,0,0,0,1|1,1,1]=4 110 B7R1.3 Cc1ccccc1 MBN [2,0,0,0,0,0|0,0,0]=2 111 B7R1.3 Cc1cccnc1 3MP [2,0,0,0,0,0|1,0,0]=3 112 B7R1.3 Cc1ccnnc1 DKG [2,0,0,0,0,0|2,0,0]=4 113 B7R1.3 c1c[nH+]ccc1N 4AP [2,0,0,0,0,0|2,0,0]=4 114 B7R1.3 c1cc(c[nH+]c1)N 3AP [2,0,0,0,0,0|2,0,0]=4 115 B7R1.3 c1cc(cnc1)O 71A [2,0,0,0,0,0|1,0,0]=3 116 B7R1.3 c1cc[n+](cc1)[O-] 9PO [2,0,0,0,0,0|1,0,1]=4 117 B7R1.3 c1cc[nH+]c(c1)N 2AP [2,0,0,0,0,0|2,0,0]=4 118 B7R1.3 c1ccc(cc1)Cl 8CL [2,0,0,0,0,0|1,0,0]=3 119 B7R1.3 c1ccc(cc1)I PIH [2,0,0,0,0,0|1,0,0]=3 120 B7R1.3 c1ccc(cc1)N ANL [2,0,0,0,0,0|1,0,0]=3 121 B7R1.3 c1ccc(cc1)O IPH [2,0,0,0,0,0|0,0,0]=2 122 B7R1.3 c1ccc(cc1)S BT6 [2,0,0,0,0,0|0,1,0]=3 123 B7R1.3 c1ccc(cc1)[Hg] PHG [2,0,0,0,0,0|1,0,0]=3 124 B7R1.3 c1ccnc(c1)S PYS [2,0,0,0,0,0|1,1,0]=4 125 B9R0.2 C\C=C\C=C\C=C\C(=O)O OTT [0,1,1,0,0,0|1,0,1]=4 126 B9R1.1 C=Cc1ccc(cc1)O 4VP [1,1,0,0,0,0|0,0,2]=4 127 B9R1.1 CCc1ccc(cc1)O ETY [1,1,0,0,0,0|0,0,0]=2 128 B9R1.1 COc1ccc(cc1)Br BOP [1,1,0,0,0,0|1,0,0]=3 129 B9R1.1 COc1ccc(cc1)O 4KS [1,1,0,0,0,0|1,0,0]=3 130 B9R1.1 CSc1ccc(cc1)N 4JM [1,1,0,0,0,0|1,0,0]=3 131 B9R1.1 C[n+]1ccc(cc1)CN NNK [1,1,0,0,0,0|2,0,0]=4 132 B9R1.1 Cc1ccc(cc1)CN 02N [1,1,0,0,0,0|1,0,0]=3 133 B9R1.1 c1cc(ccc1C#N)O H8N [1,1,0,0,0,0|1,0,1]=4 134 B9R1.1 c1cc(ccc1C=O)O HBA [1,1,0,0,0,0|0,0,2]=4 135 B9R1.1 c1cc(ccc1CN)Br PZH [1,1,0,0,0,0|1,0,0]=3 136 B9R1.1 c1cc(ccc1CN)Cl C2B [1,1,0,0,0,0|1,0,0]=3 137 B9R1.1 c1cc(ccc1CN)N 4ZY [1,1,0,0,0,0|1,0,0]=3 138 B9R1.1 c1cc(ccc1CO)Br BRB [1,1,0,0,0,0|0,0,0]=2 139 B9R1.1 c1cc(ccc1CO)Cl 4JL [1,1,0,0,0,0|0,0,0]=2 140 B9R1.1 c1cc(ccc1C[NH3+])F FBA [1,1,0,0,0,0|1,0,0]=3 141 B9R1.2 C[n+]1cccc(c1)CN NNJ [1,1,0,0,0,0|2,0,0]=4 142 B9R1.2 Cc1cccc(c1)C#N 2HT [1,1,0,0,0,0|1,0,1]=4 143 B9R1.2 Cc1cccc(c1)CN ZF0 [1,1,0,0,0,0|1,0,0]=3 144 B9R1.2 c1cc(cc(c1)Br)CN 4JH [1,1,0,0,0,0|1,0,0]=3 145 B9R1.2 c1cc(cc(c1)Cl)CN C2A [1,1,0,0,0,0|1,0,0]=3 146 B9R1.2 c1cc(cc(c1)F)CN ZDV [1,1,0,0,0,0|1,0,0]=3 147 B9R1.2 c1cc(cc(c1)I)CO IOB [1,1,0,0,0,0|0,0,0]=2 148 B9R1.2 c1cc(cc(c1)N)C#N 71G [1,1,0,0,0,0|1,0,1]=4 149 B9R1.2 c1cc(cc(c1)N)CN DBP [1,1,0,0,0,0|1,0,0]=3 150 B9R1.2 c1cc(cc(c1)O)CO 3HY [1,1,0,0,0,0|0,0,0]=2 151 B9R1.2 c1cc(nc(c1)Br)CO 4HU [1,1,0,0,0,0|1,0,0]=3 152 B9R1.2 c1cnc(cc1Cl)CN NNY [1,1,0,0,0,0|2,0,0]=4 153 B9R1.2 c1cnc(cc1Cl)CO HM3 [1,1,0,0,0,0|1,0,0]=3 154 B9R1.8 CCCc1ccccc1 3H0 [1,1,0,0,0,0|0,0,0]=2 155 B9R1.8 CCOc1ccccc1 16Q [1,1,0,0,0,0|0,0,0]=2 156 B9R1.8 CCSc1ccccc1 16M [1,1,0,0,0,0|0,0,0]=2 157 B9R1.8 CNCc1ccccc1 271 [1,1,0,0,0,0|0,0,0]=2 158 B9R1.8 CSCc1ccccc1 PTF [1,1,0,0,0,0|0,0,0]=2 159 B9R1.8 c1cc(cnc1)CCN 45X [1,1,0,0,0,0|1,0,0]=3 160 B9R1.8 c1ccc(cc1)CC=O HY1 [1,1,0,0,0,0|0,0,1]=3 161 B9R1.8 c1ccc(cc1)CCCl CEE [1,1,0,0,0,0|0,0,0]=2 162 B9R1.8 c1ccc(cc1)CCO PEL [1,1,0,0,0,0|0,0,0]=2 163 B9R1.8 c1ccc(cc1)CC[NH3+] PEA [1,1,0,0,0,0|0,0,0]=2 164 B9R1.8 c1ccc(cc1)CNN BZZ [1,1,0,0,0,0|1,0,0]=3 165 B9R1.8 c1ccc(cc1)CON OBZ [1,1,0,0,0,0|0,0,0]=2 166 B9R1.8 c1ccc(cc1)N=C=S FTE [1,1,0,0,0,0|0,1,1]=4 167 B9R1.8 c1ccc(cc1)NC=O FAN [1,1,0,0,0,0|0,0,2]=4 168 B9R1.8 c1ccc(cc1)NC=S 0FI [1,1,0,0,0,0|0,1,1]=4 169 B9R1.15 CCc1ccccc1O JZ1 [1,1,0,0,0,0|0,0,0]=2 170 B9R1.15 COc1ccccc1O JZ3 [1,1,0,0,0,0|1,0,0]=3 171 B9R1.15 C[n+]1ccccc1CN NNZ [1,1,0,0,0,0|2,0,0]=4 172 B9R1.15 Cc1ccccc1CN KNN [1,1,0,0,0,0|1,0,0]=3 173 B9R1.15 c1ccc(c(c1)C#N)O 0R0 [1,1,0,0,0,0|1,0,1]=4 174 B9R1.15 c1ccc(c(c1)C=O)O NK [1,1,0,0,0,0|0,0,2]=4 175 B9R1.15 c1ccc(c(c1)CN)Cl 02R [1,1,0,0,0,0|1,0,0]=3 176 B9R1.15 c1ccc(c(c1)CO)Br 4HR [1,1,0,0,0,0|0,0,0]=2 177 B9R1.15 c1ccc(c(c1)CO)N SOA [1,1,0,0,0,0|0,0,0]=2 178 B9R1.15 c1ccc(c(c1)CO)O SA9 [1,1,0,0,0,0|0,0,0]=2 179 B9R1.15 c1ccc(c(c1)CS)I IBZ [1,1,0,0,0,0|0,1,0]=3 180 B9R1.15 c1cncc(c1Cl)CN NNU [1,1,0,0,0,0|2,0,0]=4 181 B11R1.20 CC(=O)Nc1ccc(cc1)O NNS [0,1,0,0,0,1|0,0,2]=4 182 B11R1.20 CC(=O)Nc1ccc(cc1)O TYL [0,1,0,0,0,1|0,0,2]=4 183 B11R1.20 C[C@H](Cc1ccc(cc1)O)N AEG [0,1,0,0,0,1|1,0,0]=3 184 B11R1.20 c1cc(ccc1CC(=O)O)O 4HP [0,1,0,0,0,1|1,0,1]=4 185 B11R1.36 C[C@H]([C@@H](c1ccccc1)O)N NPU [0,1,0,0,0,1|1,0,0]=3 186 B11R1.36 C[C@H](c1ccccc1)C(=O)O GRO [0,1,0,0,0,1|1,0,1]=4 187 B11R1.36 c1ccc(cc1)C(=O)C(=O)O 173 [0,1,0,0,0,1|1,0,1]=4 188 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N 004 [0,1,0,0,0,1|1,0,1]=4 189 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O SMN [0,1,0,0,0,1|1,0,1]=4 190 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PG9 [0,1,0,0,0,1|1,0,1]=4 191 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PGY [0,1,0,0,0,1|1,0,1]=4 192 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O RMN [0,1,0,0,0,1|1,0,1]=4 193 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)S RTD [0,1,0,0,0,1|1,0,1]=4 194 B11R1.40 CC[C@H](Cc1ccccc1)N PO0 [0,1,0,0,0,1|1,0,0]=3 195 B11R1.40 C[C@@H](Cc1ccccc1)NC B40 [0,1,0,0,0,1|1,0,0]=3 196 B11R1.40 c1ccc(cc1)C[C@@H](C=O)N PHA [0,1,0,0,0,1|1,0,1]=4 197 B11R1.40 c1ccc(cc1)C[C@@H](CO)N PHL [0,1,0,0,0,1|1,0,0]=3 198 B11R1.40 c1ccc(cc1)C[C@@H](CO)O PPP [0,1,0,0,0,1|0,0,0]=2 199 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH-] PHE_LL [0,1,0,0,0,1|1,0,1]=4 200 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH3+] PHE_LSN3 [0,1,0,0,0,1|1,0,1]=4 201 B11R1.40 c1ccc(cc1)C[C@H](CO)N PDH [0,1,0,0,0,1|1,0,0]=3 202 B11R1.40 c1ccc(cc1)NC(=O)ON PHJ [0,1,0,0,0,1|1,0,1]=4 203 B11R1.86 c1ccc(c(c1)CC(=O)O)O OHP [0,1,0,0,0,1|1,0,1]=4 204 B11R1.157 CC(=O)Nc1cccc(c1)N N3M [0,1,0,0,0,1|0,0,2]=4 205 B11R1.157 c1cc(cc(c1)O)CC(=O)O 3HP [0,1,0,0,0,1|1,0,1]=4 206 B11R1.509 c1ccc(cc1)CP(=O)(O)O B85 [0,1,0,0,0,1|2,0,0]=4 207 B11R1.509 c1ccc(cc1)CS(=O)(=O)O IOX [0,1,0,0,0,1|2,0,0]=4 208 B11R1.509 c1ccc(cc1)CS(=O)(=O)O PMS [0,1,0,0,0,1|2,0,0]=4 209 B11R1.509 c1ccc(cc1)OP(=O)(O)O HPS [0,1,0,0,0,1|2,0,0]=4 210 B11R1.3 CCc1ccc(cc1)C(=O)O EGM [0,2,0,0,0,0|1,0,1]=4 211 B11R1.3 COc1ccc(cc1)C(=O)O ANN [0,2,0,0,0,0|1,0,1]=4 212 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl BE7 [0,2,0,0,0,0|1,0,1]=4 213 B11R1.3 c1cc(ccc1C(=O)O)[Hg]O HGB [0,2,0,0,0,0|1,0,1]=4 214 B11R1.3 c1cc(ccc1CBr)C(=O)O 4AY [0,2,0,0,0,0|1,0,1]=4 215 B11R1.3 c1cc(ccc1CN)C(=O)O 4AZ [0,2,0,0,0,0|1,0,1]=4 216 B11R1.3 c1cc(ccc1CS)[N+](=O)O 4NM [0,2,0,0,0,0|2,0,0]=4 217 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TSU [0,2,0,0,0,0|2,0,0]=4 218 B11R1.19 c1cc(ccc1C(F)(F)F)N ANI [0,2,0,0,0,0|2,0,0]=4 219 B11R1.19 c1cc(ccc1C(F)(F)F)O FCR [0,2,0,0,0,0|2,0,0]=4 220 B11R1.19 c1cc(ccc1N)[As](=O)(O)O ASR [0,2,0,0,0,0|2,0,0]=4 221 B11R1.19 c1cc(ccc1S(=O)(=O)O)[Hg] PMB [0,2,0,0,0,0|2,0,0]=4 222 B11R1.21 Cc1cc(ccc1Br)C(=O)O 0GF [0,2,0,0,0,0|1,0,1]=4 223 B11R1.21 Cc1cc(ccc1O)C(=O)C YTP [0,2,0,0,0,0|0,0,2]=4 224 B11R1.21 Cc1ccc(cc1O)C(=C)C 0WV [0,2,0,0,0,0|1,0,1]=4 225 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl 34Z [0,2,0,0,0,0|1,0,1]=4 226 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O CHB [0,2,0,0,0,0|1,0,1]=4 227 B11R1.21 c1cc(c(cc1C(=O)O)F)O FHB [0,2,0,0,0,0|1,0,1]=4 228 B11R1.21 c1cc(c(cc1C(=O)O)I)O IHB [0,2,0,0,0,0|1,0,1]=4 229 B11R1.21 c1cc(c(cc1C(=O)O)O)N 4A3 [0,2,0,0,0,0|1,0,1]=4 230 B11R1.21 c1cc(c(cc1C(=O)O)O)O DHB [0,2,0,0,0,0|1,0,1]=4 231 B11R1.22 COC(=O)c1ccc(cc1)O MPB [0,2,0,0,0,0|0,0,2]=4 232 B11R1.22 c1cc(ccc1C(=O)CN)Br 47A [0,2,0,0,0,0|0,0,2]=4 233 B11R1.22 c1cc(ccc1[C@@H](C#N)O)O DHR [0,2,0,0,0,0|0,0,1]=3 234 B11R1.22 c1cc(ccc1[C@@H](CN)O)F 489 [0,2,0,0,0,0|0,0,0]=2 235 B11R1.22 c1cc(ccc1[C@@H](CN)O)O OTS [0,2,0,0,0,0|0,0,0]=2 236 B11R1.22 c1cc(ccc1[C@H](CN)O)O OTR [0,2,0,0,0,0|0,0,0]=2 237 B11R1.22 c1cc(ccc1\C(=N\O)\N)F ZYB [0,2,0,0,0,0|1,0,1]=4 238 B11R1.166 Cc1ccc(c(c1)N)C(=O)O 4M0 [0,2,0,0,0,0|1,0,1]=4 239 B11R1.166 Cc1ccc(c(c1)O)C(C)C IPB [0,2,0,0,0,0|1,0,0]=3 240 B11R1.166 c1cc(c(cc1F)N)C(=O)O FA0 [0,2,0,0,0,0|1,0,1]=4 241 B11R1.166 c1cc(c(cc1N)O)C(=O)O BHA [0,2,0,0,0,0|1,0,1]=4 242 B11R1.166 c1cc(c(cc1O)O)C(=O)O DOB [0,2,0,0,0,0|1,0,1]=4 243 B11R1.7 c1ccc(cc1)S(=O)(=O)NO A09 [0,2,0,0,0,0|2,0,0]=4 244 B11R1.16 c1ccc(cc1)C(=O)CCO P18 [0,2,0,0,0,0|0,0,2]=4 245 B11R1.16 c1ccc(cc1)C(=O)NCO 1Q8 [0,2,0,0,0,0|0,0,2]=4 246 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O 269 [0,2,0,0,0,0|0,0,0]=2 247 B11R1.23 c1cc(cc(c1)O)C(=O)NO 069 [0,2,0,0,0,0|1,0,1]=4 248 B11R1.222 CNC(=O)c1ccccc1I N1M [0,2,0,0,0,0|0,0,2]=4 249 B11R1.222 c1ccc(c(c1)C(=O)NO)O SHA [0,2,0,0,0,0|1,0,1]=4 250 B11R1.155 c1cc(cc(c1)N)C(F)(F)F 51R [0,2,0,0,0,0|2,0,0]=4 251 B11R1.53 COc1ccccc1C(=O)O 71F [0,2,0,0,0,0|1,0,1]=4 252 B11R1.156 Cc1cccc(c1C(=O)O)N 6M1 [0,2,0,0,0,0|1,0,1]=4 253 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N 6F0 [0,2,0,0,0,0|1,0,1]=4 254 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O GRE [0,2,0,0,0,0|1,0,1]=4 255 B11R1.159 Cc1c(cccc1O)C(=O)O PF0 [0,2,0,0,0,0|1,0,1]=4 256 B11R1.159 Cc1cccc(c1N)C(=O)O 3M0 [0,2,0,0,0,0|1,0,1]=4 257 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O 3F0 [0,2,0,0,0,0|1,0,1]=4 258 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O 1CW [0,2,0,0,0,0|1,0,1]=4 259 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O 3HA [0,2,0,0,0,0|1,0,1]=4 260 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O DBH [0,2,0,0,0,0|1,0,1]=4 261 B11R1.167 Cc1ccc(c(c1)C(=O)O)N 5M0 [0,2,0,0,0,0|1,0,1]=4 262 B11R1.167 Cc1ccc(c(c1)C(=O)O)O 54G [0,2,0,0,0,0|1,0,1]=4 263 B11R1.167 c1cc(c(cc1Br)C(=O)O)N SX1 [0,2,0,0,0,0|1,0,1]=4 264 B11R1.167 c1cc(c(cc1F)C(=O)O)N 5RG [0,2,0,0,0,0|1,0,1]=4 265 B11R1.167 c1cc(c(cc1O)C(=O)O)O GTQ [0,2,0,0,0,0|1,0,1]=4 266 B11R1.74 c1c(cc(cc1O)O)C(=O)O 34D [0,2,0,0,0,0|1,0,1]=4 267 B11R1.266 c1cc(cc(c1)C(=O)O)CN 3AZ [0,2,0,0,0,0|1,0,1]=4 268 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N GJZ [0,0,0,1,0,1|1,0,0]=3 269 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2[NH3+] TPA [0,0,0,1,0,1|1,0,0]=3 270 B11R2.10 C1=CC2=NC(N=C2C=C1)N 270 [0,0,0,1,0,1|2,0,0]=4 271 B11R2.10 Cc1cc2ccccc2[nH]1 2MI [0,0,0,1,0,1|1,0,1]=4 272 B11R2.10 c1ccc2c(c1)CC(C2)N XM0 [0,0,0,1,0,1|1,0,0]=3 273 B11R2.1 B1(c2ccccc2CO1)O 6M9 [0,1,0,1,0,0|1,0,0]=3 274 B11R2.1 Cc1c2ccccc2n[nH]1 0RW [0,1,0,1,0,0|1,0,1]=4 275 B11R2.1 c1ccc2c(c1)CCC2=O 1ON [0,1,0,1,0,0|0,0,2]=4 276 B11R2.1 c1ccc2c(c1)c(no2)N HLR [0,1,0,1,0,0|1,0,1]=4 277 B7R1.1 CCc1[nH]ccn1 2EZ [1,0,0,0,1,0|2,0,0]=4 278 B7R1.1 c1c([nH]cn1)CO MZ0 [1,0,0,0,1,0|2,0,0]=4 279 B7R1.1 c1cnc([nH]1)CO BVG [1,0,0,0,1,0|2,0,0]=4 280 B7R1.1 c1cscc1CN BVC [1,0,0,0,1,0|2,0,0]=4 281 B11R1.91 B(CCc1ccccc1)(O)O PBA [0,0,0,0,0,2|2,0,0]=4 282 B11R1.91 CC(=O)OCc1ccccc1 J0Z [0,0,0,0,0,2|0,0,2]=4 283 B11R1.91 C[C@H](CCc1ccccc1)N 4DD [0,0,0,0,0,2|1,0,0]=3 284 B11R1.91 c1ccc(cc1)/C=C/C(=O)O TCA [0,0,0,0,0,2|1,0,1]=4 285 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [0,0,0,0,0,2|1,0,1]=4 286 B11R1.91 c1ccc(cc1)CNC(=O)O PMQ [0,0,0,0,0,2|1,0,1]=4 287 B11R1.91 c1ccc(cc1)COC(=O)O BGG [0,0,0,0,0,2|1,0,1]=4 288 B11R1.91 c1ccc(cc1)OCC(=O)O 06Y [0,0,0,0,0,2|1,0,1]=4