0 B9R1.69 C1=C(C(=O)NC=C1Br)O 27Y [0,0,0,0,0,0|1,0,0]=1 1 B9R1.69 CC1=CC(=O)N(C=C1)O 4HO [0,0,0,0,0,0|2,0,2]=4 2 B9R1.69 CC1=CC(=S)C(=CO1)O TM7 [0,0,0,0,0,0|2,1,1]=4 3 B9R1.69 CC1=CC(=S)N(C=C1)O 2YU [0,0,0,0,0,0|2,1,1]=4 4 B9R1.69 CC1=CN(C(=S)C=C1)O 5MH [0,0,0,0,0,0|2,1,0]=3 5 B9R1.69 Cc1cc(ccc1Cl)O 43M [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 Cc1cc(ccc1O)N 4ZE [0,0,0,0,0,0|3,0,1]=4 7 B9R1.69 Cc1ccc(c(c1)C)C XBZ [0,0,0,0,0,0|3,0,0]=3 8 B9R1.69 Cc1ccc(c(c1)C)N 51S [0,0,0,0,0,0|3,0,0]=3 9 B9R1.69 Cc1ccc(c(c1)N)C XYD [0,0,0,0,0,0|3,0,0]=3 10 B9R1.69 Cc1ccc(c(c1)N)O 2AC [0,0,0,0,0,0|2,0,1]=3 11 B9R1.69 Cc1ccc(c(c1)O)O MCT [0,0,0,0,0,0|1,0,1]=2 12 B9R1.69 Cc1ccc(c(c1)S)O HT4 [0,0,0,0,0,0|1,1,1]=3 13 B9R1.69 Cc1ccc(c(c1)S)S TLD [0,0,0,0,0,0|1,2,0]=3 14 B9R1.69 Cc1ccc(cc1C)N 34A [0,0,0,0,0,0|4,0,0]=4 15 B9R1.69 Cc1ccc(cc1C)O 2MP [0,0,0,0,0,0|4,0,0]=4 16 B9R1.69 Cc1ccc(cc1O)Cl JZ2 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.69 c1cc(c(cc1Cl)Cl)O 5JC [0,0,0,0,0,0|3,0,1]=4 18 B9R1.69 c1cc(c(cc1Cl)N)N 4JJ [0,0,0,0,0,0|4,0,0]=4 19 B9R1.69 c1cc(c(cc1Cl)O)O 4CL [0,0,0,0,0,0|2,0,1]=3 20 B9R1.69 c1cc(c(cc1F)O)O 3N8 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.69 c1cc(c(cc1O)Cl)Cl 5JD [0,0,0,0,0,0|4,0,0]=4 22 B9R1.69 c1cc(c(cc1O)O)O HQN [0,0,0,0,0,0|2,0,1]=3 23 B9R1.69 c1cc(c(cc1O)O)S TH0 [0,0,0,0,0,0|2,1,0]=3 24 B9R1.69 c1cc(c(cc1S)F)F 2XG [0,0,0,0,0,0|4,0,0]=4 25 B8R1.3 C1=CC(=O)C=CC1=O PLQ [1,0,0,0,0,0|2,0,0]=3 26 B8R1.3 C1=CC(=O)NC=C1Br 4HS [1,0,0,0,0,0|1,0,0]=2 27 B8R1.3 Cc1ccc(cc1)C PXY [1,0,0,0,0,0|2,0,0]=3 28 B8R1.3 Cc1ccc(cc1)N 4MN [1,0,0,0,0,0|2,0,0]=3 29 B8R1.3 Cc1ccc(cc1)O PCR [1,0,0,0,0,0|1,0,1]=3 30 B8R1.3 Cc1ccc(nc1)N LG4 [1,0,0,0,0,0|1,0,1]=3 31 B8R1.3 Cc1cnc(cn1)C 25R [1,0,0,0,0,0|2,0,1]=4 32 B8R1.3 c1cc(ccc1N)O 4NL [1,0,0,0,0,0|2,0,1]=4 33 B8R1.3 c1cc(ccc1O)Br BML [1,0,0,0,0,0|2,0,1]=4 34 B8R1.3 c1cc(ccc1O)Cl 4CH [1,0,0,0,0,0|2,0,1]=4 35 B8R1.3 c1cc(ccc1O)F FPN [1,0,0,0,0,0|2,0,1]=4 36 B8R1.3 c1cc(ccc1O)I IOL [1,0,0,0,0,0|2,0,1]=4 37 B8R1.3 c1cc(ccc1O)O HQE [1,0,0,0,0,0|2,0,1]=4 38 B8R1.3 c1cc(ccc1S)Br 2XE [1,0,0,0,0,0|2,1,0]=4 39 B8R1.3 c1cc(ncc1N)Br 4JN [1,0,0,0,0,0|2,0,1]=4 40 B8R1.3 c1cc(ncc1N)N DA1 [1,0,0,0,0,0|2,0,1]=4 41 B8R1.4 CC1=CC(=S)NC=C1 4H2 [1,0,0,0,0,0|2,1,0]=4 42 B8R1.4 Cc1cccc(c1)O CRS [1,0,0,0,0,0|1,0,0]=2 43 B8R1.4 Cc1cccc(c1)S M3T [1,0,0,0,0,0|1,1,0]=3 44 B8R1.4 Cc1cccc(n1)N 71M [1,0,0,0,0,0|3,0,0]=4 45 B8R1.4 Cc1ccnc(c1)N BVF [1,0,0,0,0,0|3,0,0]=4 46 B8R1.4 c1cc(cc(c1)Br)O B3R [1,0,0,0,0,0|2,0,0]=3 47 B8R1.4 c1cc(cc(c1)Cl)O 3CH [1,0,0,0,0,0|2,0,0]=3 48 B8R1.4 c1cc(cc(c1)O)O RCO [1,0,0,0,0,0|2,0,0]=3 49 B8R1.5 Cc1ccccc1C OXE [1,0,0,0,0,0|3,0,0]=4 50 B8R1.5 Cc1ccccc1I 2IB [1,0,0,0,0,0|3,0,0]=4 51 B8R1.5 Cc1ccccc1N 51V [1,0,0,0,0,0|3,0,0]=4 52 B8R1.5 Cc1ccccc1O JZ0 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.5 c1cc(c(nc1)O)O 8LG [1,0,0,0,0,0|0,0,2]=3 54 B8R1.5 c1cc[n+](c(c1)S)O BEW [1,0,0,0,0,0|2,1,0]=4 55 B8R1.5 c1ccc(c(c1)Cl)Cl YAN [1,0,0,0,0,0|3,0,0]=4 56 B8R1.5 c1ccc(c(c1)N)F 1AN [1,0,0,0,0,0|3,0,0]=4 57 B8R1.5 c1ccc(c(c1)N)O 2AF [1,0,0,0,0,0|2,0,0]=3 58 B8R1.5 c1ccc(c(c1)O)Br 2BR [1,0,0,0,0,0|2,0,0]=3 59 B8R1.5 c1ccc(c(c1)O)Cl 2CH [1,0,0,0,0,0|2,0,0]=3 60 B8R1.5 c1ccc(c(c1)O)F FP2 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.5 c1ccc(c(c1)O)I 6X8 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.5 c1ccc(c(c1)O)O CAQ [1,0,0,0,0,0|1,0,1]=3 63 B8R1.5 c1ccc(c(c1)O)S HTS [1,0,0,0,0,0|1,1,0]=3 64 B10R1.22 c1c(cc(c(c1O)O)Cl)Cl 35C [0,1,0,0,0,0|2,0,1]=4 65 B10R1.25 Cc1ccc(c(c1)N)OC ZZT [0,1,0,0,0,0|2,0,1]=4 66 B10R1.25 c1cc(c(cc1O)O)SO TH7 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.30 COC1=CC(=O)C=CC1=O MCW [0,1,0,0,0,0|2,0,0]=3 68 B10R1.30 COc1cc(ccc1O)Br 3Z7 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.30 Cc1ccc(c(n1)CO)O LA7 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.118 C1=C(C(=O)C=C(C1=O)O)O 1WG [0,1,0,0,0,0|2,0,0]=3 71 B10R1.118 Cc1cc(c(cc1C)N)N 150 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.118 Cc1cc(c(cc1Cl)N)N 2CQ [0,1,0,0,0,0|3,0,0]=4 73 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)O TC7 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.118 c1c(c(cc(c1Cl)Cl)O)O 45C [0,1,0,0,0,0|2,0,1]=4 75 B10R1.118 c1c(c(cc(c1O)O)O)O BTT [0,1,0,0,0,0|2,0,1]=4 76 B10R1.119 c1cc(c(c(c1O)O)O)Br PBX [0,1,0,0,0,0|2,0,1]=4 77 B10R1.176 C1C(=O)C(=C[C@H](O1)CO)O AY9 [0,1,0,0,0,0|2,0,1]=4 78 B8R1.50 CC1=C(C(=O)CO1)O 4XX [0,0,0,0,1,0|2,0,0]=3 79 B10R1.330 C1=CC(=O)OC(=O)C=C1F 3NJ [0,0,0,0,0,1|2,0,1]=4 80 B7R0.5 C/C=C\C(=O)C(=O)O OXP [1,0,1,0,0,0|1,0,0]=3 81 B7R0.5 CS/C=C(/C(=O)O)\O DEI [1,0,1,0,0,0|2,0,0]=4 82 B7R1.3 Cc1ccccc1 MBN [2,0,0,0,0,0|1,0,0]=3 83 B7R1.3 Cc1cccnc1 3MP [2,0,0,0,0,0|0,0,1]=3 84 B7R1.3 Cc1ccnnc1 DKG [2,0,0,0,0,0|1,0,1]=4 85 B7R1.3 c1cc(c[nH+]c1)N 3AP [2,0,0,0,0,0|1,0,1]=4 86 B7R1.3 c1cc(cnc1)O 71A [2,0,0,0,0,0|0,0,1]=3 87 B7R1.3 c1cc[nH+]c(c1)N 2AP [2,0,0,0,0,0|1,0,1]=4 88 B7R1.3 c1ccc(cc1)Cl 8CL [2,0,0,0,0,0|2,0,0]=4 89 B7R1.3 c1ccc(cc1)I PIH [2,0,0,0,0,0|2,0,0]=4 90 B7R1.3 c1ccc(cc1)N ANL [2,0,0,0,0,0|2,0,0]=4 91 B7R1.3 c1ccc(cc1)O IPH [2,0,0,0,0,0|1,0,0]=3 92 B7R1.3 c1ccc(cc1)S BT6 [2,0,0,0,0,0|1,1,0]=4 93 B7R1.3 c1ccc(cc1)[Hg] PHG [2,0,0,0,0,0|2,0,0]=4 94 B7R1.3 c1ccnc(c1)S PYS [2,0,0,0,0,0|0,1,1]=4 95 B9R1.1 CCc1ccc(cc1)O ETY [1,1,0,0,0,0|1,0,1]=4 96 B9R1.1 COc1ccc(cc1)Br BOP [1,1,0,0,0,0|2,0,0]=4 97 B9R1.1 COc1ccc(cc1)O 4KS [1,1,0,0,0,0|1,0,1]=4 98 B9R1.1 CSc1ccc(cc1)N 4JM [1,1,0,0,0,0|2,0,0]=4 99 B9R1.1 Cc1ccc(cc1)CN 02N [1,1,0,0,0,0|2,0,0]=4 100 B9R1.1 c1cc(ccc1C=O)O HBA [1,1,0,0,0,0|2,0,0]=4 101 B9R1.1 c1cc(ccc1CN)Br PZH [1,1,0,0,0,0|2,0,0]=4 102 B9R1.1 c1cc(ccc1CN)Cl C2B [1,1,0,0,0,0|2,0,0]=4 103 B9R1.1 c1cc(ccc1CN)N 4ZY [1,1,0,0,0,0|2,0,0]=4 104 B9R1.1 c1cc(ccc1CO)Br BRB [1,1,0,0,0,0|2,0,0]=4 105 B9R1.1 c1cc(ccc1CO)Cl 4JL [1,1,0,0,0,0|2,0,0]=4 106 B9R1.1 c1cc(ccc1C[NH3+])F FBA [1,1,0,0,0,0|2,0,0]=4 107 B9R1.2 Cc1cccc(c1)C#N 2HT [1,1,0,0,0,0|2,0,0]=4 108 B9R1.2 Cc1cccc(c1)CN ZF0 [1,1,0,0,0,0|2,0,0]=4 109 B9R1.2 c1cc(cc(c1)Br)CN 4JH [1,1,0,0,0,0|2,0,0]=4 110 B9R1.2 c1cc(cc(c1)Cl)CN C2A [1,1,0,0,0,0|2,0,0]=4 111 B9R1.2 c1cc(cc(c1)F)CN ZDV [1,1,0,0,0,0|2,0,0]=4 112 B9R1.2 c1cc(cc(c1)I)CO IOB [1,1,0,0,0,0|2,0,0]=4 113 B9R1.2 c1cc(cc(c1)N)CN DBP [1,1,0,0,0,0|2,0,0]=4 114 B9R1.2 c1cc(cc(c1)O)CO 3HY [1,1,0,0,0,0|1,0,0]=3 115 B9R1.3 CC1=CC=CN(C1=S)O 3MH [1,1,0,0,0,0|2,0,0]=4 116 B9R1.3 Cc1cccc(c1N)Cl 2CM [1,1,0,0,0,0|2,0,0]=4 117 B9R1.3 Cc1cccc(c1N)N 2C9 [1,1,0,0,0,0|2,0,0]=4 118 B9R1.3 Cc1cccc(c1O)C 2MY [1,1,0,0,0,0|2,0,0]=4 119 B9R1.3 Cc1cccc(c1O)O MBD [1,1,0,0,0,0|1,0,0]=3 120 B9R1.3 c1cc(c(c(c1)Cl)Cl)O 5JF [1,1,0,0,0,0|2,0,0]=4 121 B9R1.3 c1cc(c(c(c1)Cl)O)O 3CE [1,1,0,0,0,0|2,0,0]=4 122 B9R1.3 c1cc(c(c(c1)F)O)O 3FA [1,1,0,0,0,0|2,0,0]=4 123 B9R1.3 c1cc(c(c(c1)O)O)O PYG [1,1,0,0,0,0|2,0,0]=4 124 B9R1.34 Cc1cc(cc(c1)O)C ERH [1,1,0,0,0,0|1,0,0]=3 125 B9R1.34 c1c(cc(cc1O)O)O 13X [1,1,0,0,0,0|2,0,0]=4 126 B9R1.15 CCc1ccccc1O JZ1 [1,1,0,0,0,0|2,0,0]=4 127 B9R1.15 COc1ccccc1O JZ3 [1,1,0,0,0,0|1,0,1]=4 128 B9R1.15 c1ccc(c(c1)C#N)O 0R0 [1,1,0,0,0,0|2,0,0]=4 129 B9R1.15 c1ccc(c(c1)C=O)O NK [1,1,0,0,0,0|1,0,0]=3 130 B9R1.15 c1ccc(c(c1)CO)Br 4HR [1,1,0,0,0,0|2,0,0]=4 131 B9R1.15 c1ccc(c(c1)CO)N SOA [1,1,0,0,0,0|2,0,0]=4 132 B9R1.15 c1ccc(c(c1)CO)O SA9 [1,1,0,0,0,0|1,0,1]=4 133 B11R1.166 Cc1ccc(c(c1)N)C(=O)O 4M0 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.166 Cc1ccc(c(c1)O)C(C)C IPB [0,2,0,0,0,0|2,0,0]=4 135 B11R1.166 c1cc(c(cc1N)O)C(=O)O BHA [0,2,0,0,0,0|2,0,0]=4 136 B11R1.166 c1cc(c(cc1O)O)C(=O)O DOB [0,2,0,0,0,0|2,0,0]=4 137 B11R1.279 COc1ccc(c(c1)O)CN HV7 [0,2,0,0,0,0|2,0,0]=4 138 B11R1.279 COc1ccc(cc1O)CN 47G [0,2,0,0,0,0|1,0,1]=4 139 B11R1.279 COc1ccc(cc1O)CO 2A9 [0,2,0,0,0,0|1,0,1]=4 140 B11R1.167 Cc1ccc(c(c1)C(=O)O)N 5M0 [0,2,0,0,0,0|2,0,0]=4 141 B11R1.167 Cc1ccc(c(c1)C(=O)O)O 54G [0,2,0,0,0,0|1,0,1]=4 142 B11R1.21 Cc1ccc(cc1O)C(=C)C 0WV [0,2,0,0,0,0|2,0,0]=4 143 B11R1.192 c1cc(c(cc1CCN)O)O LDP [0,2,0,0,0,0|1,0,1]=4 144 B9R1.5 C1=CC=C(C(=O)C=C1)O 0TR [0,0,1,1,0,0|1,0,1]=4