0 B8R1.3 C1=CC(=O)C=CC1=O PLQ [0,0,0,0,0,0|0,0,2]=2 1 B8R1.3 C1=CC(=O)NC=C1Br 4HS [0,0,0,0,0,0|2,0,1]=3 2 B8R1.3 Cc1ccc(cc1)C PXY [0,0,0,0,0,0|2,0,0]=2 3 B8R1.3 Cc1ccc(cc1)N 4MN [0,0,0,0,0,0|2,0,0]=2 4 B8R1.3 Cc1ccc(cc1)O PCR [0,0,0,0,0,0|1,0,0]=1 5 B8R1.3 Cc1ccc(nc1)N LG4 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.3 Cc1cnc(cn1)C 25R [0,0,0,0,0,0|4,0,0]=4 7 B8R1.3 c1cc(ccc1N)O 4NL [0,0,0,0,0,0|1,0,0]=1 8 B8R1.3 c1cc(ccc1O)Br BML [0,0,0,0,0,0|1,0,0]=1 9 B8R1.3 c1cc(ccc1O)Cl 4CH [0,0,0,0,0,0|1,0,0]=1 10 B8R1.3 c1cc(ccc1O)F FPN [0,0,0,0,0,0|1,0,0]=1 11 B8R1.3 c1cc(ccc1O)I IOL [0,0,0,0,0,0|1,0,0]=1 12 B8R1.3 c1cc(ccc1O)O HQE [0,0,0,0,0,0|0,0,0]=0 13 B8R1.3 c1cc(ccc1S)Br 2XE [0,0,0,0,0,0|1,1,0]=2 14 B8R1.3 c1cc(ncc1N)Br 4JN [0,0,0,0,0,0|3,0,0]=3 15 B8R1.3 c1cc(ncc1N)N DA1 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.3 Cc1ccccc1 MBN [1,0,0,0,0,0|1,0,0]=2 17 B7R1.3 Cc1cccnc1 3MP [1,0,0,0,0,0|2,0,0]=3 18 B7R1.3 Cc1ccnnc1 DKG [1,0,0,0,0,0|3,0,0]=4 19 B7R1.3 c1c[nH+]ccc1N 4AP [1,0,0,0,0,0|2,0,0]=3 20 B7R1.3 c1cc(c[nH+]c1)N 3AP [1,0,0,0,0,0|2,0,0]=3 21 B7R1.3 c1cc(cnc1)O 71A [1,0,0,0,0,0|1,0,0]=2 22 B7R1.3 c1cc[n+](cc1)[O-] 9PO [1,0,0,0,0,0|1,0,1]=3 23 B7R1.3 c1cc[nH+]c(c1)N 2AP [1,0,0,0,0,0|2,0,0]=3 24 B7R1.3 c1ccc(cc1)Cl 8CL [1,0,0,0,0,0|1,0,0]=2 25 B7R1.3 c1ccc(cc1)I PIH [1,0,0,0,0,0|1,0,0]=2 26 B7R1.3 c1ccc(cc1)N ANL [1,0,0,0,0,0|1,0,0]=2 27 B7R1.3 c1ccc(cc1)O IPH [1,0,0,0,0,0|0,0,0]=1 28 B7R1.3 c1ccc(cc1)S BT6 [1,0,0,0,0,0|0,1,0]=2 29 B7R1.3 c1ccc(cc1)[Hg] PHG [1,0,0,0,0,0|1,0,0]=2 30 B7R1.3 c1ccnc(c1)S PYS [1,0,0,0,0,0|1,1,0]=3 31 B7R1.3 c1cnc(nc1)N LGA [1,0,0,0,0,0|3,0,0]=4 32 B9R1.1 C=Cc1ccc(cc1)O 4VP [0,1,0,0,0,0|1,0,0]=2 33 B9R1.1 CCc1ccc(cc1)O ETY [0,1,0,0,0,0|1,0,0]=2 34 B9R1.1 COc1ccc(cc1)Br BOP [0,1,0,0,0,0|1,0,0]=2 35 B9R1.1 COc1ccc(cc1)O 4KS [0,1,0,0,0,0|0,0,0]=1 36 B9R1.1 CSc1ccc(cc1)N 4JM [0,1,0,0,0,0|1,1,0]=3 37 B9R1.1 C[n+]1ccc(cc1)CN NNK [0,1,0,0,0,0|3,0,0]=4 38 B9R1.1 Cc1ccc(cc1)CN 02N [0,1,0,0,0,0|2,0,0]=3 39 B9R1.1 c1cc(ccc1C#N)O H8N [0,1,0,0,0,0|1,0,0]=2 40 B9R1.1 c1cc(ccc1C=O)O HBA [0,1,0,0,0,0|0,0,1]=2 41 B9R1.1 c1cc(ccc1CN)Br PZH [0,1,0,0,0,0|2,0,0]=3 42 B9R1.1 c1cc(ccc1CN)Cl C2B [0,1,0,0,0,0|2,0,0]=3 43 B9R1.1 c1cc(ccc1CN)N 4ZY [0,1,0,0,0,0|2,0,0]=3 44 B9R1.1 c1cc(ccc1CO)Br BRB [0,1,0,0,0,0|1,0,0]=2 45 B9R1.1 c1cc(ccc1CO)Cl 4JL [0,1,0,0,0,0|1,0,0]=2 46 B9R1.1 c1cc(ccc1C[NH3+])F FBA [0,1,0,0,0,0|2,0,0]=3 47 B9R1.69 C1=C(C(=O)NC=C1Br)O 27Y [0,1,0,0,0,0|2,0,1]=4 48 B9R1.69 CC1=CC(=O)N(C=C1)O 4HO [0,1,0,0,0,0|2,0,0]=3 49 B9R1.69 CC1=CC(=S)C(=CO1)O TM7 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.69 CC1=CC(=S)N(C=C1)O 2YU [0,1,0,0,0,0|2,0,0]=3 51 B9R1.69 CC1=CN(C(=S)C=C1)O 5MH [0,1,0,0,0,0|2,1,0]=4 52 B9R1.69 Cc1c(ccc(n1)N)Br 4JO [0,1,0,0,0,0|3,0,0]=4 53 B9R1.69 Cc1cc(ccc1Cl)O 43M [0,1,0,0,0,0|1,0,0]=2 54 B9R1.69 Cc1cc(ccc1O)N 4ZE [0,1,0,0,0,0|1,0,0]=2 55 B9R1.69 Cc1ccc(c(c1)C)C XBZ [0,1,0,0,0,0|2,0,0]=3 56 B9R1.69 Cc1ccc(c(c1)C)N 51S [0,1,0,0,0,0|2,0,0]=3 57 B9R1.69 Cc1ccc(c(c1)N)C XYD [0,1,0,0,0,0|2,0,0]=3 58 B9R1.69 Cc1ccc(c(c1)N)O 2AC [0,1,0,0,0,0|1,0,0]=2 59 B9R1.69 Cc1ccc(c(c1)O)O MCT [0,1,0,0,0,0|1,0,0]=2 60 B9R1.69 Cc1ccc(c(c1)S)O HT4 [0,1,0,0,0,0|1,0,0]=2 61 B9R1.69 Cc1ccc(c(c1)S)S TLD [0,1,0,0,0,0|1,1,0]=3 62 B9R1.69 Cc1ccc(c[n+]1C)N 275 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.69 Cc1ccc(cc1C)N 34A [0,1,0,0,0,0|2,0,0]=3 64 B9R1.69 Cc1ccc(cc1C)O 2MP [0,1,0,0,0,0|1,0,0]=2 65 B9R1.69 Cc1ccc(cc1O)Cl JZ2 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.69 c1cc(c(cc1Cl)Cl)O 5JC [0,1,0,0,0,0|1,0,0]=2 67 B9R1.69 c1cc(c(cc1Cl)N)N 4JJ [0,1,0,0,0,0|2,0,0]=3 68 B9R1.69 c1cc(c(cc1Cl)O)O 4CL [0,1,0,0,0,0|1,0,0]=2 69 B9R1.69 c1cc(c(cc1F)O)O 3N8 [0,1,0,0,0,0|1,0,0]=2 70 B9R1.69 c1cc(c(cc1O)Cl)Cl 5JD [0,1,0,0,0,0|1,0,0]=2 71 B9R1.69 c1cc(c(cc1O)O)O HQN [0,1,0,0,0,0|0,0,0]=1 72 B9R1.69 c1cc(c(cc1O)O)S TH0 [0,1,0,0,0,0|0,1,0]=2 73 B9R1.69 c1cc(c(cc1S)F)F 2XG [0,1,0,0,0,0|1,1,0]=3 74 B7R0.6 C(=C\C(=O)O)/C(=O)O FUM [0,0,1,0,0,0|2,0,0]=3 75 B7R0.6 C(=C\C(=O)O)\C(=O)O MAE [0,0,1,0,0,0|2,0,0]=3 76 B6R1.1 B1C=CC=CN1 B20 [2,0,0,0,0,0|2,0,0]=4 77 B6R1.1 c1ccccc1 BNZ [2,0,0,0,0,0|0,0,0]=2 78 B6R1.1 c1ccncc1 0PY [2,0,0,0,0,0|1,0,0]=3 79 B6R1.1 c1cncnc1 P1R [2,0,0,0,0,0|2,0,0]=4 80 B8R0.23 C(=C(/C(=O)O)\N)/C(=O)O 2KZ [0,1,1,0,0,0|2,0,0]=4 81 B8R0.23 C(=C(\C(=O)O)/N)/C(=O)O DYA [0,1,1,0,0,0|2,0,0]=4 82 B8R0.23 C\C(=C/C(=O)O)\C(=O)O MEZ [0,1,1,0,0,0|2,0,0]=4 83 B8R0.23 C\C(=C\C(=O)O)\C(=O)O CIZ [0,1,1,0,0,0|2,0,0]=4 84 B8R1.2 C=Cc1ccccc1 SYN [1,1,0,0,0,0|1,0,0]=3 85 B8R1.2 CCc1ccccc1 N2B [1,1,0,0,0,0|1,0,0]=3 86 B8R1.2 CCc1ccccc1 PYJ [1,1,0,0,0,0|1,0,0]=3 87 B8R1.2 CNc1ccccc1 1MR [1,1,0,0,0,0|1,0,0]=3 88 B8R1.2 COc1cccnc1 282 [1,1,0,0,0,0|1,0,0]=3 89 B8R1.2 CSc1ccccc1 16R [1,1,0,0,0,0|0,1,0]=3 90 B8R1.2 c1cc(cnc1)CN 0YC [1,1,0,0,0,0|2,0,0]=4 91 B8R1.2 c1cc(cnc1)CO PYF [1,1,0,0,0,0|1,0,0]=3 92 B8R1.2 c1cc(cnc1)CS PY2 [1,1,0,0,0,0|1,1,0]=4 93 B8R1.2 c1ccc(cc1)C=O HBX [1,1,0,0,0,0|0,0,1]=3 94 B8R1.2 c1ccc(cc1)CCl 9CL [1,1,0,0,0,0|1,0,0]=3 95 B8R1.2 c1ccc(cc1)CN ABN [1,1,0,0,0,0|1,0,0]=3 96 B8R1.2 c1ccc(cc1)CO 010 [1,1,0,0,0,0|0,0,0]=2 97 B8R1.2 c1ccc(cc1)N=O NBE [1,1,0,0,0,0|0,0,1]=3 98 B8R1.2 c1ccc(cc1)NN PHZ [1,1,0,0,0,0|1,0,0]=3 99 B8R1.2 c1ccc(cc1)[As]=O PA0 [1,1,0,0,0,0|0,0,1]=3 100 B8R1.2 c1ccnc(c1)CN APY [1,1,0,0,0,0|2,0,0]=4 101 B8R1.2 c1cnccc1CN NNW [1,1,0,0,0,0|2,0,0]=4 102 B8R1.2 c1cnccc1CO PY7 [1,1,0,0,0,0|1,0,0]=3 103 B8R1.4 CC1=CC(=S)NC=C1 4H2 [1,1,0,0,0,0|1,1,0]=4 104 B8R1.4 Cc1cccc(c1)O CRS [1,1,0,0,0,0|0,0,0]=2 105 B8R1.4 Cc1cccc(c1)S M3T [1,1,0,0,0,0|0,1,0]=3 106 B8R1.4 Cc1cccc(n1)N 71M [1,1,0,0,0,0|2,0,0]=4 107 B8R1.4 Cc1ccnc(c1)N BVF [1,1,0,0,0,0|2,0,0]=4 108 B8R1.4 c1cc(cc(c1)Br)O B3R [1,1,0,0,0,0|0,0,0]=2 109 B8R1.4 c1cc(cc(c1)Cl)O 3CH [1,1,0,0,0,0|0,0,0]=2 110 B8R1.4 c1cc(cc(c1)O)O RCO [1,1,0,0,0,0|0,0,0]=2 111 B8R1.4 c1cc(nc(c1)N)N 26D [1,1,0,0,0,0|2,0,0]=4 112 B8R1.5 Cc1ccccc1C OXE [1,1,0,0,0,0|1,0,0]=3 113 B8R1.5 Cc1ccccc1I 2IB [1,1,0,0,0,0|1,0,0]=3 114 B8R1.5 Cc1ccccc1N 51V [1,1,0,0,0,0|1,0,0]=3 115 B8R1.5 Cc1ccccc1O JZ0 [1,1,0,0,0,0|0,0,0]=2 116 B8R1.5 c1cc(c(nc1)O)O 8LG [1,1,0,0,0,0|1,0,0]=3 117 B8R1.5 c1cc[n+](c(c1)S)O BEW [1,1,0,0,0,0|1,0,0]=3 118 B8R1.5 c1ccc(c(c1)Cl)Cl YAN [1,1,0,0,0,0|1,0,0]=3 119 B8R1.5 c1ccc(c(c1)N)F 1AN [1,1,0,0,0,0|1,0,0]=3 120 B8R1.5 c1ccc(c(c1)N)O 2AF [1,1,0,0,0,0|0,0,0]=2 121 B8R1.5 c1ccc(c(c1)O)Br 2BR [1,1,0,0,0,0|0,0,0]=2 122 B8R1.5 c1ccc(c(c1)O)Cl 2CH [1,1,0,0,0,0|0,0,0]=2 123 B8R1.5 c1ccc(c(c1)O)F FP2 [1,1,0,0,0,0|0,0,0]=2 124 B8R1.5 c1ccc(c(c1)O)I 6X8 [1,1,0,0,0,0|0,0,0]=2 125 B8R1.5 c1ccc(c(c1)O)O CAQ [1,1,0,0,0,0|0,0,0]=2 126 B8R1.5 c1ccc(c(c1)O)S HTS [1,1,0,0,0,0|0,0,0]=2 127 B10R1.330 C1=CC(=O)OC(=O)C=C1F 3NJ [0,1,0,0,0,1|1,0,1]=4 128 B10R1.1 c1cc(ccc1CC#N)O 3AQ [0,2,0,0,0,0|1,0,0]=3 129 B10R1.1 c1cc(ccc1CCN)O AEF [0,2,0,0,0,0|1,0,0]=3 130 B10R1.1 c1cc(ccc1CCO)F 4FA [0,2,0,0,0,0|1,0,0]=3 131 B10R1.1 c1cc(ccc1CCO)O YRL [0,2,0,0,0,0|0,0,0]=2 132 B10R1.3 COc1ccc(cc1)CN PZM [0,2,0,0,0,0|1,0,0]=3 133 B10R1.3 c1cc(ccc1CN)CO 4AL [0,2,0,0,0,0|1,0,0]=3 134 B10R1.13 CC(=O)c1ccc(cc1)Br PBP [0,2,0,0,0,0|1,0,1]=4 135 B10R1.13 CC(=O)c1ccc(cc1)O AC6 [0,2,0,0,0,0|0,0,1]=3 136 B10R1.13 CC(C)c1ccc(cc1)N ISO [0,2,0,0,0,0|2,0,0]=4 137 B10R1.13 Cc1ccc(cc1)C(=O)O 4MA [0,2,0,0,0,0|1,0,0]=3 138 B10R1.13 Cc1ccc(cc1)C(C)C MML [0,2,0,0,0,0|2,0,0]=4 139 B10R1.13 Cc1ccc(cc1)[S@@](=O)O TOS [0,2,0,0,0,0|1,0,0]=3 140 B10R1.13 c1cc(ccc1C(=O)N)O HBD [0,2,0,0,0,0|0,0,1]=3 141 B10R1.13 c1cc(ccc1C(=O)O)Br Z82 [0,2,0,0,0,0|1,0,0]=3 142 B10R1.13 c1cc(ccc1C(=O)O)Cl 174 [0,2,0,0,0,0|1,0,0]=3 143 B10R1.13 c1cc(ccc1C(=O)O)F 1Y6 [0,2,0,0,0,0|1,0,0]=3 144 B10R1.13 c1cc(ccc1C(=O)O)N PAB [0,2,0,0,0,0|1,0,0]=3 145 B10R1.13 c1cc(ccc1C(=O)O)O PHB [0,2,0,0,0,0|0,0,0]=2 146 B10R1.13 c1cc(ccc1C(=O)O)[Hg] MBO [0,2,0,0,0,0|1,0,0]=3 147 B10R1.13 c1cc(ccc1C(=[NH2+])N)N PBZ [0,2,0,0,0,0|2,0,0]=4 148 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] NIT [0,2,0,0,0,0|1,0,1]=4 149 B10R1.13 c1cc(ccc1[N+](=O)[O-])O NPO [0,2,0,0,0,0|0,0,1]=3 150 B10R1.25 COc1ccc(cc1F)N 71B [0,2,0,0,0,0|1,0,0]=3 151 B10R1.25 Cc1ccc(c(c1)N)OC ZZT [0,2,0,0,0,0|1,0,0]=3 152 B10R1.25 c1cc(c(cc1F)F)CO 24B [0,2,0,0,0,0|1,0,0]=3 153 B10R1.25 c1cc(c(cc1O)F)C#N 8H8 [0,2,0,0,0,0|1,0,0]=3 154 B10R1.25 c1cc(c(cc1O)O)SO TH7 [0,2,0,0,0,0|0,0,0]=2 155 B10R1.176 C1=C(OC=C(C1=O)O)CO KOJ [0,2,0,0,0,0|1,0,0]=3 156 B10R1.22 CC1=CC(=S)N(C(=C1)C)O 7MH [0,2,0,0,0,0|2,0,0]=4 157 B10R1.22 c1c(cc(c(c1Br)O)Br)Br TBP [0,2,0,0,0,0|1,0,0]=3 158 B10R1.22 c1c(cc(c(c1Cl)O)Cl)Cl T6C [0,2,0,0,0,0|1,0,0]=3 159 B10R1.22 c1c(cc(c(c1O)O)Cl)Cl 35C [0,2,0,0,0,0|1,0,0]=3 160 B10R1.30 COC1=CC(=O)C=CC1=O MCW [0,2,0,0,0,0|0,0,2]=4 161 B10R1.30 COc1cc(ccc1O)Br 3Z7 [0,2,0,0,0,0|1,0,0]=3 162 B10R1.30 Cc1ccc(c(n1)CO)O LA7 [0,2,0,0,0,0|2,0,0]=4 163 B10R1.30 c1cc(c(cc1Cl)C#N)O 4ZC [0,2,0,0,0,0|1,0,0]=3 164 B10R1.30 c1cc(c(cc1Cl)CN)Cl 01V [0,2,0,0,0,0|2,0,0]=4 165 B10R1.30 c1cc(c(cc1O)C=O)Br 1DW [0,2,0,0,0,0|1,0,0]=3 166 B10R1.118 C1=C(C(=O)C=C(C1=O)O)O 1WG [0,2,0,0,0,0|0,0,0]=2 167 B10R1.118 Cc1cc(c(cc1C)N)N 150 [0,2,0,0,0,0|2,0,0]=4 168 B10R1.118 Cc1cc(c(cc1Cl)N)N 2CQ [0,2,0,0,0,0|2,0,0]=4 169 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)O TC7 [0,2,0,0,0,0|1,0,0]=3 170 B10R1.118 c1c(c(cc(c1Cl)Cl)O)O 45C [0,2,0,0,0,0|1,0,0]=3 171 B10R1.118 c1c(c(cc(c1O)O)O)O BTT [0,2,0,0,0,0|0,0,0]=2 172 B10R1.119 c1cc(c(c(c1O)O)O)Br PBX [0,2,0,0,0,0|1,0,0]=3 173 B6R1.2 Cc1cc[nH]c1 5MP [1,0,0,0,1,0|2,0,0]=4 174 B6R1.2 Cn1cccc1 MR3 [1,0,0,0,1,0|2,0,0]=4 175 B8R0.28 C(\C=C\C(=O)O)C(=O)O G9A [0,0,1,0,0,1|2,0,0]=4