0 B8R1.4 C1=C(NC(=O)N=C1)N CYT [0,0,0,0,0,0|3,0,1]=4 1 B8R1.4 C1=CNC(=O)NC1=O URA [0,0,0,0,0,0|3,0,1]=4 2 B8R1.4 C1=CNC(=S)NC1=O TUL [0,0,0,0,0,0|3,0,1]=4 3 B8R1.4 CC1=CC(=S)NC=C1 4H2 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.4 CN1CC=CC(=C1)N LG5 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.4 Cc1cccc(c1)O CRS [0,0,0,0,0,0|2,0,0]=2 6 B8R1.4 Cc1cccc(c1)S M3T [0,0,0,0,0,0|2,0,0]=2 7 B8R1.4 Cc1cccc(n1)N 71M [0,0,0,0,0,0|1,0,0]=1 8 B8R1.4 Cc1ccnc(c1)N BVF [0,0,0,0,0,0|3,0,0]=3 9 B8R1.4 c1c(nc(cn1)Cl)N CIG [0,0,0,0,0,0|3,0,0]=3 10 B8R1.4 c1cc(cc(c1)Br)O B3R [0,0,0,0,0,0|3,0,0]=3 11 B8R1.4 c1cc(cc(c1)Cl)O 3CH [0,0,0,0,0,0|3,0,0]=3 12 B8R1.4 c1cc(cc(c1)O)O RCO [0,0,0,0,0,0|3,0,0]=3 13 B8R1.4 c1cc(nc(c1)N)N 26D [0,0,0,0,0,0|2,0,0]=2 14 B8R1.4 c1cnc(nc1N)N LG3 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.4 c1nc(nc(n1)N)N ZZS [0,0,0,0,0,0|4,0,0]=4 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|3,0,0]=4 20 B7R1.3 c1cc(c[nH+]c1)N 3AP [1,0,0,0,0,0|3,0,0]=4 21 B7R1.3 c1cc(cnc1)O 71A [1,0,0,0,0,0|3,0,0]=4 22 B7R1.3 c1cc[n+](cc1)[O-] 9PO [1,0,0,0,0,0|3,0,0]=4 23 B7R1.3 c1cc[nH+]c(c1)N 2AP [1,0,0,0,0,0|1,0,1]=3 24 B7R1.3 c1ccc(cc1)Cl 8CL [1,0,0,0,0,0|2,0,0]=3 25 B7R1.3 c1ccc(cc1)I PIH [1,0,0,0,0,0|2,0,0]=3 26 B7R1.3 c1ccc(cc1)N ANL [1,0,0,0,0,0|2,0,0]=3 27 B7R1.3 c1ccc(cc1)O IPH [1,0,0,0,0,0|2,0,0]=3 28 B7R1.3 c1ccc(cc1)S BT6 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.3 c1ccc(cc1)[Hg] PHG [1,0,0,0,0,0|2,0,0]=3 30 B7R1.3 c1ccnc(c1)S PYS [1,0,0,0,0,0|1,0,0]=2 31 B7R1.3 c1cnc(nc1)N LGA [1,0,0,0,0,0|2,0,0]=3 32 B9R1.2 C[n+]1cccc(c1)CN NNJ [0,1,0,0,0,0|2,0,0]=3 33 B9R1.2 Cc1cccc(c1)C#N 2HT [0,1,0,0,0,0|1,0,1]=3 34 B9R1.2 Cc1cccc(c1)CN ZF0 [0,1,0,0,0,0|1,0,0]=2 35 B9R1.2 c1cc(cc(c1)Br)CN 4JH [0,1,0,0,0,0|2,0,0]=3 36 B9R1.2 c1cc(cc(c1)Cl)CN C2A [0,1,0,0,0,0|2,0,0]=3 37 B9R1.2 c1cc(cc(c1)F)CN ZDV [0,1,0,0,0,0|2,0,0]=3 38 B9R1.2 c1cc(cc(c1)I)CO IOB [0,1,0,0,0,0|2,0,0]=3 39 B9R1.2 c1cc(cc(c1)N)C#N 71G [0,1,0,0,0,0|2,0,1]=4 40 B9R1.2 c1cc(cc(c1)N)CN DBP [0,1,0,0,0,0|2,0,0]=3 41 B9R1.2 c1cc(cc(c1)O)CO 3HY [0,1,0,0,0,0|2,0,0]=3 42 B9R1.2 c1cc(nc(c1)Br)CO 4HU [0,1,0,0,0,0|1,0,0]=2 43 B9R1.2 c1cnc(cc1Cl)CN NNY [0,1,0,0,0,0|3,0,0]=4 44 B9R1.2 c1cnc(cc1Cl)CO HM3 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.3 CC1=C(C(=S)C=CO1)O TM4 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.3 CC1=CC=CC(=S)N1O 6MH [0,1,0,0,0,0|1,0,1]=3 47 B9R1.3 CC1=CC=CN(C1=S)O 3MH [0,1,0,0,0,0|3,0,0]=4 48 B9R1.3 Cc1c(cccc1F)N FLM [0,1,0,0,0,0|3,0,0]=4 49 B9R1.3 Cc1c(cccc1N)N 71K [0,1,0,0,0,0|3,0,0]=4 50 B9R1.3 Cc1cccc(c1N)Cl 2CM [0,1,0,0,0,0|2,0,0]=3 51 B9R1.3 Cc1cccc(c1N)N 2C9 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.3 Cc1cccc(c1O)C 2MY [0,1,0,0,0,0|1,0,0]=2 53 B9R1.3 Cc1cccc(c1O)O MBD [0,1,0,0,0,0|2,0,0]=3 54 B9R1.3 c1cc(c(c(c1)Cl)Cl)O 5JF [0,1,0,0,0,0|3,0,0]=4 55 B9R1.3 c1cc(c(c(c1)Cl)O)O 3CE [0,1,0,0,0,0|3,0,0]=4 56 B9R1.3 c1cc(c(c(c1)F)O)F FFP [0,1,0,0,0,0|3,0,0]=4 57 B9R1.3 c1cc(c(c(c1)F)O)O 3FA [0,1,0,0,0,0|3,0,0]=4 58 B9R1.3 c1cc(c(c(c1)O)O)O PYG [0,1,0,0,0,0|3,0,0]=4 59 B9R1.34 Cc1cc(cc(c1)O)C ERH [0,1,0,0,0,0|1,0,0]=2 60 B9R1.34 Cc1cc(nc(c1)N)C 71L [0,1,0,0,0,0|1,0,0]=2 61 B9R1.34 Cc1cc(nc(n1)N)C 5ZE [0,1,0,0,0,0|2,0,0]=3 62 B9R1.34 Cc1cc(nc(n1)O)O 6MU [0,1,0,0,0,0|2,0,0]=3 63 B9R1.34 Cc1nc(nc(n1)N)N 3AW [0,1,0,0,0,0|3,0,0]=4 64 B9R1.34 c1c(cc(cc1Cl)Cl)Cl TCZ [0,1,0,0,0,0|3,0,0]=4 65 B9R1.34 c1c(cc(cc1F)F)N 5AN [0,1,0,0,0,0|3,0,0]=4 66 B9R1.34 c1c(cc(cc1O)O)O 13X [0,1,0,0,0,0|3,0,0]=4 67 B9R1.34 c1c(nc(nc1Cl)N)N 2ZX [0,1,0,0,0,0|3,0,0]=4 68 B9R1.34 c1c(nc(nc1N)N)N 3AY [0,1,0,0,0,0|3,0,0]=4 69 B9R1.69 C1=C(C(=NC(=O)N1)N)F 1LD [0,1,0,0,0,0|3,0,0]=4 70 B9R1.69 CC1=CC(=O)N(C=C1)O 4HO [0,1,0,0,0,0|3,0,0]=4 71 B9R1.69 CC1=CC(=S)C(=CO1)O TM7 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.69 CC1=CC(=S)N(C=C1)O 2YU [0,1,0,0,0,0|3,0,0]=4 73 B9R1.69 CC1=CN(C(=S)C=C1)O 5MH [0,1,0,0,0,0|3,0,0]=4 74 B9R1.69 CC1=CNC(=O)N=C1N 17E [0,1,0,0,0,0|3,0,0]=4 75 B9R1.69 CC1=NC(=N)C(=C)C=N1 ICP [0,1,0,0,0,0|2,0,0]=3 76 B9R1.69 CN1C=CC(=NC1=O)N 1MC [0,1,0,0,0,0|3,0,0]=4 77 B9R1.69 Cc1c(ccc(n1)N)Br 4JO [0,1,0,0,0,0|1,0,0]=2 78 B9R1.69 Cc1cc(ccc1Cl)O 43M [0,1,0,0,0,0|2,0,0]=3 79 B9R1.69 Cc1cc(ccc1O)N 4ZE [0,1,0,0,0,0|2,0,0]=3 80 B9R1.69 Cc1ccc(c(c1)C)C XBZ [0,1,0,0,0,0|1,0,0]=2 81 B9R1.69 Cc1ccc(c(c1)C)N 51S [0,1,0,0,0,0|1,0,0]=2 82 B9R1.69 Cc1ccc(c(c1)N)C XYD [0,1,0,0,0,0|2,0,0]=3 83 B9R1.69 Cc1ccc(c(c1)N)O 2AC [0,1,0,0,0,0|2,0,0]=3 84 B9R1.69 Cc1ccc(c(c1)O)O MCT [0,1,0,0,0,0|2,0,0]=3 85 B9R1.69 Cc1ccc(c(c1)S)O HT4 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.69 Cc1ccc(c(c1)S)S TLD [0,1,0,0,0,0|2,0,0]=3 87 B9R1.69 Cc1ccc(c[n+]1C)N 275 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.69 Cc1ccc(cc1C)N 34A [0,1,0,0,0,0|2,0,0]=3 89 B9R1.69 Cc1ccc(cc1C)O 2MP [0,1,0,0,0,0|2,0,0]=3 90 B9R1.69 Cc1ccc(cc1O)Cl JZ2 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.69 Cc1cnc(nc1N)C PYD [0,1,0,0,0,0|2,0,0]=3 92 B9R1.69 Cc1cnc(nc1N)C YF1 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.69 c1cc(c(cc1Cl)Cl)O 5JC [0,1,0,0,0,0|3,0,0]=4 94 B9R1.69 c1cc(c(cc1Cl)N)N 4JJ [0,1,0,0,0,0|3,0,0]=4 95 B9R1.69 c1cc(c(cc1Cl)O)O 4CL [0,1,0,0,0,0|3,0,0]=4 96 B9R1.69 c1cc(c(cc1F)O)O 3N8 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.69 c1cc(c(cc1O)Cl)Cl 5JD [0,1,0,0,0,0|3,0,0]=4 98 B9R1.69 c1cc(c(cc1O)O)O HQN [0,1,0,0,0,0|3,0,0]=4 99 B9R1.69 c1cc(c(cc1O)O)S TH0 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.69 c1cc(c(cc1S)F)F 2XG [0,1,0,0,0,0|3,0,0]=4 101 B7R1.2 Cc1c[nH+]c(s1)N 25T [0,0,0,0,1,0|3,0,0]=4 102 B7R1.2 Cc1csc(n1)N 24T [0,0,0,0,1,0|2,0,0]=3 103 B7R1.4 CN1C=CNC1=S MMZ [0,0,0,0,1,0|3,0,0]=4 104 B7R1.4 Cc1[nH+]ccn1C DMI [0,0,0,0,1,0|2,0,0]=3 105 B7R1.4 Cc1csc[n+]1C DTI [0,0,0,0,1,0|2,0,0]=3 106 B6R1.1 B1C=CC=CN1 B20 [2,0,0,0,0,0|1,0,1]=4 107 B6R1.1 c1ccccc1 BNZ [2,0,0,0,0,0|1,0,0]=3 108 B6R1.1 c1ccncc1 0PY [2,0,0,0,0,0|0,0,0]=2 109 B6R1.1 c1cncnc1 P1R [2,0,0,0,0,0|1,0,0]=3 110 B8R1.2 B1(C=CC=CN1)CC 6OQ [1,1,0,0,0,0|1,0,1]=4 111 B8R1.2 B1C=CC=CN1CC B24 [1,1,0,0,0,0|2,0,0]=4 112 B8R1.2 C=Cc1ccccc1 SYN [1,1,0,0,0,0|1,0,1]=4 113 B8R1.2 CCc1ccccc1 N2B [1,1,0,0,0,0|1,0,0]=3 114 B8R1.2 CCc1ccccc1 PYJ [1,1,0,0,0,0|1,0,0]=3 115 B8R1.2 CNc1ccccc1 1MR [1,1,0,0,0,0|1,0,0]=3 116 B8R1.2 COc1cccnc1 282 [1,1,0,0,0,0|2,0,0]=4 117 B8R1.2 CSc1ccccc1 16R [1,1,0,0,0,0|1,0,0]=3 118 B8R1.2 c1cc(cnc1)CN 0YC [1,1,0,0,0,0|2,0,0]=4 119 B8R1.2 c1cc(cnc1)CO PYF [1,1,0,0,0,0|2,0,0]=4 120 B8R1.2 c1cc(cnc1)CS PY2 [1,1,0,0,0,0|2,0,0]=4 121 B8R1.2 c1ccc(cc1)C=O HBX [1,1,0,0,0,0|1,0,1]=4 122 B8R1.2 c1ccc(cc1)CCl 9CL [1,1,0,0,0,0|1,0,0]=3 123 B8R1.2 c1ccc(cc1)CN ABN [1,1,0,0,0,0|1,0,0]=3 124 B8R1.2 c1ccc(cc1)CO 010 [1,1,0,0,0,0|1,0,0]=3 125 B8R1.2 c1ccc(cc1)N=O NBE [1,1,0,0,0,0|2,0,0]=4 126 B8R1.2 c1ccc(cc1)NN PHZ [1,1,0,0,0,0|2,0,0]=4 127 B8R1.2 c1ccc(cc1)[As]=O PA0 [1,1,0,0,0,0|2,0,0]=4 128 B8R1.2 c1ccnc(c1)CN APY [1,1,0,0,0,0|0,0,0]=2 129 B8R1.2 c1cnccc1CN NNW [1,1,0,0,0,0|2,0,0]=4 130 B8R1.2 c1cnccc1CO PY7 [1,1,0,0,0,0|2,0,0]=4 131 B8R1.3 C1=CC(=O)C=CC1=O PLQ [1,1,0,0,0,0|2,0,0]=4 132 B8R1.3 C1=CC(=O)NC=C1Br 4HS [1,1,0,0,0,0|1,0,1]=4 133 B8R1.3 Cc1ccc(cc1)C PXY [1,1,0,0,0,0|1,0,0]=3 134 B8R1.3 Cc1ccc(cc1)N 4MN [1,1,0,0,0,0|1,0,0]=3 135 B8R1.3 Cc1ccc(cc1)O PCR [1,1,0,0,0,0|1,0,0]=3 136 B8R1.3 Cc1ccc(nc1)N LG4 [1,1,0,0,0,0|1,0,0]=3 137 B8R1.3 Cc1cnc(cn1)C 25R [1,1,0,0,0,0|1,0,0]=3 138 B8R1.3 c1cc(ccc1N)O 4NL [1,1,0,0,0,0|2,0,0]=4 139 B8R1.3 c1cc(ccc1O)Br BML [1,1,0,0,0,0|2,0,0]=4 140 B8R1.3 c1cc(ccc1O)Cl 4CH [1,1,0,0,0,0|2,0,0]=4 141 B8R1.3 c1cc(ccc1O)F FPN [1,1,0,0,0,0|2,0,0]=4 142 B8R1.3 c1cc(ccc1O)I IOL [1,1,0,0,0,0|2,0,0]=4 143 B8R1.3 c1cc(ccc1O)O HQE [1,1,0,0,0,0|2,0,0]=4 144 B8R1.3 c1cc(ccc1S)Br 2XE [1,1,0,0,0,0|2,0,0]=4 145 B8R1.3 c1cc(ncc1N)Br 4JN [1,1,0,0,0,0|1,0,0]=3 146 B8R1.3 c1cc(ncc1N)N DA1 [1,1,0,0,0,0|1,0,0]=3 147 B8R1.5 Cc1ccccc1C OXE [1,1,0,0,0,0|1,0,0]=3 148 B8R1.5 Cc1ccccc1I 2IB [1,1,0,0,0,0|1,0,0]=3 149 B8R1.5 Cc1ccccc1N 51V [1,1,0,0,0,0|1,0,0]=3 150 B8R1.5 Cc1ccccc1O JZ0 [1,1,0,0,0,0|1,0,0]=3 151 B8R1.5 c1cc(c(nc1)O)O 8LG [1,1,0,0,0,0|1,0,0]=3 152 B8R1.5 c1cc[n+](c(c1)S)O BEW [1,1,0,0,0,0|1,0,1]=4 153 B8R1.5 c1ccc(c(c1)Cl)Cl YAN [1,1,0,0,0,0|2,0,0]=4 154 B8R1.5 c1ccc(c(c1)N)F 1AN [1,1,0,0,0,0|2,0,0]=4 155 B8R1.5 c1ccc(c(c1)N)O 2AF [1,1,0,0,0,0|2,0,0]=4 156 B8R1.5 c1ccc(c(c1)O)Br 2BR [1,1,0,0,0,0|2,0,0]=4 157 B8R1.5 c1ccc(c(c1)O)Cl 2CH [1,1,0,0,0,0|2,0,0]=4 158 B8R1.5 c1ccc(c(c1)O)F FP2 [1,1,0,0,0,0|2,0,0]=4 159 B8R1.5 c1ccc(c(c1)O)I 6X8 [1,1,0,0,0,0|2,0,0]=4 160 B8R1.5 c1ccc(c(c1)O)O CAQ [1,1,0,0,0,0|2,0,0]=4 161 B8R1.5 c1ccc(c(c1)O)S HTS [1,1,0,0,0,0|2,0,0]=4 162 B8R1.50 Cc1csc([n+]1C)C TMT [0,1,0,0,1,0|1,0,1]=4 163 B8R1.11 Cc1ccsc1CN 02T [0,1,0,0,1,0|1,0,0]=3 164 B8R1.11 Cn1cccc1CN 278 [0,1,0,0,1,0|1,0,0]=3 165 B10R1.2 c1cc(c(c(c1)Cl)Cl)CO 6B0 [0,2,0,0,0,0|2,0,0]=4 166 B10R1.2 c1cc(c(c(c1)F)F)CO DFB [0,2,0,0,0,0|2,0,0]=4 167 B10R1.8 COc1cc(cc(c1)O)O 2A7 [0,2,0,0,0,0|2,0,0]=4 168 B10R1.8 Cc1nc(nc(n1)SC)N ZZ3 [0,2,0,0,0,0|2,0,0]=4 169 B10R1.8 c1c(cc(cc1F)F)CO 341 [0,2,0,0,0,0|2,0,0]=4 170 B10R1.30 COC1=CC(=O)C=CC1=O MCW [0,2,0,0,0,0|2,0,0]=4 171 B10R1.30 COc1cc(ccc1O)Br 3Z7 [0,2,0,0,0,0|2,0,0]=4 172 B10R1.30 C[n+]1ccc(c(c1)CN)Cl NNT [0,2,0,0,0,0|2,0,0]=4 173 B10R1.30 Cc1ccc(c(n1)CO)O LA7 [0,2,0,0,0,0|0,0,0]=2 174 B10R1.30 c1cc(c(cc1Cl)CN)Cl 01V [0,2,0,0,0,0|2,0,0]=4 175 B10R1.113 CC(=O)c1cccc(c1)N 3AO [0,2,0,0,0,0|2,0,0]=4 176 B10R1.113 CC(=O)c1cccc(c1)O 53C [0,2,0,0,0,0|2,0,0]=4 177 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] 3NT [0,2,0,0,0,0|2,0,0]=4 178 B10R1.113 c1cc(nc(c1)O)C(=O)O 53B [0,2,0,0,0,0|1,0,1]=4 179 B10R1.172 COc1cccc(c1)CN SZ4 [0,2,0,0,0,0|1,0,0]=3 180 B10R1.172 N=C/c1nccc(n1)CN 3FW [0,2,0,0,0,0|1,0,1]=4 181 B10R1.172 c1cc(cc(c1)CN)CN TRJ [0,2,0,0,0,0|1,0,0]=3 182 B10R1.22 CC1=CC(=S)N(C(=C1)C)O 7MH [0,2,0,0,0,0|1,0,1]=4 183 B10R1.25 Cc1ccc(c(c1)N)OC ZZT [0,2,0,0,0,0|2,0,0]=4 184 B10R1.25 Cc1ncc(c(n1)N)CN NSP [0,2,0,0,0,0|2,0,0]=4 185 B10R1.25 Cc1ncc(c(n1)N)CO HMH [0,2,0,0,0,0|2,0,0]=4 186 B10R1.118 Cc1cc(c(cc1C)N)N 150 [0,2,0,0,0,0|2,0,0]=4 187 B10R1.118 Cc1cc(c(cc1Cl)N)N 2CQ [0,2,0,0,0,0|2,0,0]=4 188 B6R0.3 C=CC(=O)C(=C)N 6R3 [0,0,1,0,1,0|2,0,0]=4 189 B6R1.2 C[n+]1ccsc1 3MT [1,0,0,0,1,0|2,0,0]=4 190 B6R1.2 Cc1[nH]ccn1 2MZ [1,0,0,0,1,0|1,0,0]=3 191 B6R1.2 Cc1c[nH]cn1 4MZ [1,0,0,0,1,0|1,0,0]=3 192 B6R1.2 Cc1c[nH]nc1 4PZ [1,0,0,0,1,0|2,0,0]=4 193 B6R1.2 Cc1cc[nH]c1 5MP [1,0,0,0,1,0|1,0,0]=3 194 B6R1.2 Cn1cc[nH+]c1 1MZ [1,0,0,0,1,0|2,0,0]=4 195 B6R1.2 Cn1cccc1 MR3 [1,0,0,0,1,0|1,0,0]=3 196 B6R1.2 c1c(nc[nH]1)Br ES3 [1,0,0,0,1,0|2,0,0]=4 197 B6R1.2 c1cnc([nH]1)Cl 5KX [1,0,0,0,1,0|2,0,0]=4 198 B6R1.2 c1cnc([nH]1)N 2AI [1,0,0,0,1,0|2,0,0]=4 199 B6R1.2 c1csc(n1)N AMT [1,0,0,0,1,0|2,0,0]=4