0 B10R1.10 CCCc1ccnc(c1)N a177 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.10 CCNc1cc(cnc1)C ct051vp1fp2de13 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.10 CCNc1ccc[n+](c1)[O-] cdp027vp2fp7de4 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.10 CCNc1cccc(n1)N cdp206fp13 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.10 CCOc1cc(ccn1)Br ct091 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.10 CCOc1cc(ccn1)C a007de1de9 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.10 CCOc1cc(ccn1)Cl a007de1fp1 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.10 CCOc1cc(ccn1)N a007de1 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.10 CCOc1cc(cnc1)Cl rp121 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.10 CCOc1cc(cnc1)N cdp229de1 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.10 CCOc1cc(cnc1)O cdp229de2 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.10 CCOc1cccc(n1)C a007de1de7 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.10 CCOc1cccc(n1)F rp007 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.10 CCOc1cccc(n1)N cdp194fp3vp1 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.10 CCOc1ccnc(c1)Br ct091de2 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.10 CCOc1ccnc(c1)C ct091de2de3 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.10 CCOc1ccnc(c1)Cl ct091de2de2 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.10 CCOc1ccnc(c1)F ct091de2de8 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.10 CCOc1ccnc(c1)N ct368 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.10 Cc1cccc(c1)\C=N\N un309 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.10 c1cc(cc(c1)Br)\C=N\N un317 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.10 c1cc(cc(c1)Cl)\C=N\N un318 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.10 c1cc(cc(c1)Cl)\C=N\O jmc046 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.10 c1cc(cc(c1)N)\C=N\N un319 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.10 c1cc(cc(c1)O)\C=N\N un321 [0,0,0,0,0,0|1,0,1]=2 25 B9R1.2 CCc1cc(ccn1)Br a007lit2 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.2 CCc1cc(ccn1)N a007lit1 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.2 CCc1cccc(n1)O a006de4 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.2 CCc1ccnc(c1)O a006de3 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.2 CNc1cc(ccn1)N cdp092fp29 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.2 CNc1ccc[n+](c1)[O-] cdp027vp2fp7de5 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.2 CNc1cccc(n1)N cdp206fp14 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.2 COc1cc(ccn1)Br a007lit7 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.2 COc1cc(ccn1)Cl a007lit6 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.2 COc1cc(ccn1)F rp327 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.2 COc1cc(ccn1)I a007lit5 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.2 COc1cc(ccn1)O a007lit4 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.2 COc1cc(cnc1)Cl rp120 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.2 COc1ccc[n+](c1)[O-] ll002 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.2 COc1cccc(n1)O a006de5 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.2 COc1ccnc(c1)N cdp104fp2 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.2 COc1ccnc(c1)O rp240 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.2 CSc1cc(ccn1)N cdp092fp28 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.2 CSc1ccnc(c1)Cl cdp092fp3 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.2 CSc1ccnc(c1)N cdp104fp42 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.2 Cc1cc(ccn1)OC cdp316vpfp1 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.2 Cc1cc(cnc1)CCl cdp225fp2 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.2 Cc1cc(cnc1)CO cdp225fp3 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.2 Cc1cc(cnc1)NC ct051vp1fp2de12 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.2 Cc1cc(cnc1)OC ct074fp3vp1de6 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.2 Cc1ccnc(c1)CO cia036lit3 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.2 c1c(cncc1Br)CO cdp240vp1fp1 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.2 c1c(cncc1N)CO cdp240fp3fp1 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.2 c1c(cncc1O)C=O cia038de1 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.2 c1c(cncc1O)CO cdp240fp3fp2 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.2 c1cc(c[n+](c1)[O-])NN cdp027vp2fp7de1 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.2 c1cc(cc(c1)S)C#N a230de1 [1,0,0,0,0,0|0,1,2]=4 57 B9R1.2 c1cc(nc(c1)O)C#N rp136 [1,0,0,0,0,0|1,0,2]=4 58 B9R1.2 c1cc(nc(c1)O)C=O un195 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.2 c1cnc(cc1Br)CBr cdp107fp13 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.2 c1cnc(cc1Br)CO cdp107fp4 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.2 c1cnc(cc1C=O)O cia015 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.2 c1cnc(cc1Cl)CN cdp104vp1a [1,0,0,0,0,0|2,0,0]=3 63 B9R1.8 c1ccc(cc1)C#N=O jmc047 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.8 c1ccc(cc1)\C=N\N un308 [1,0,0,0,0,0|1,0,1]=3 65 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCN a057 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.24 Cc1cccc(c1)OCC#C fd131lit18 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.189 CCOc1cc(ccn1)OC ct091fp1 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.189 c1cc(cc(c1)C#N)\C=N\N un320 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.192 c1cc(c(cc1\C=N/N)F)F bc025vp1de5 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.192 c1cc(c(cc1\C=N/N)O)O bc025vp1de3 [0,1,0,0,0,0|1,0,1]=3 71 B11R2.35 Cc1cc(ccn1)C2CC2 cdp107fp24 [0,0,0,1,0,0|3,0,0]=4 72 B11R2.35 Cc1cccc(c1)C2CC2 ll025 [0,0,0,1,0,0|2,0,0]=3 73 B11R2.35 c1cc(cc(c1)Cl)C2CC2 ll019 [0,0,0,1,0,0|2,0,0]=3 74 B11R2.35 c1cc(cc(c1)F)C2CC2 ll023 [0,0,0,1,0,0|2,0,0]=3 75 B11R2.35 c1cc(cc(c1)O)C2CC2 ll012 [0,0,0,1,0,0|1,0,0]=2 76 B11R2.36 c1cc(cc2c1cco2)O un058de10 [0,0,0,1,0,0|2,0,1]=4 77 B11R2.36 c1cc(nc2c1[nH]cn2)O cdp156fp1lit9 [0,0,0,1,0,0|2,0,1]=4 78 B11R2.36 c1cc2c(cc[nH]2)cc1Cl md017 [0,0,0,1,0,0|1,0,2]=4 79 B11R2.36 c1cc2c(cco2)cc1O un058de7 [0,0,0,1,0,0|1,0,2]=4 80 B11R2.106 c1cc(c2ccoc2c1)O a073fp2 [0,0,0,1,0,0|2,0,1]=4 81 B11R2.106 c1cc2c(cc[nH]2)c(c1)O md016 [0,0,0,1,0,0|2,0,1]=4 82 B11R2.106 c1cc2ccoc2c(c1)O un058 [0,0,0,1,0,0|1,0,2]=4 83 B8R1.2 c1cc(cnc1)CI cic018 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.2 c1ccc(cc1)CI a245 [2,0,0,0,0,0|1,0,0]=3 85 B8R1.4 Cc1cc(ccn1)Br cdp107 [2,0,0,0,0,0|2,0,0]=4 86 B8R1.4 Cc1cc(ccn1)Cl cdp080 [2,0,0,0,0,0|2,0,0]=4 87 B8R1.4 Cc1cc(ccn1)F cdp075 [2,0,0,0,0,0|2,0,0]=4 88 B8R1.4 Cc1cc(ccn1)I cdp316fp1 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.4 Cc1cc(ccn1)O cdp100 [2,0,0,0,0,0|1,0,0]=3 90 B8R1.4 Cc1cc(cnc1)Br cdp226 [2,0,0,0,0,0|2,0,0]=4 91 B8R1.4 Cc1cc(cnc1)Cl cdp237 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.4 Cc1cc(cnc1)F cdp222 [2,0,0,0,0,0|2,0,0]=4 93 B8R1.4 Cc1cc(cnc1)I cdp146fp3de1 [2,0,0,0,0,0|2,0,0]=4 94 B8R1.4 Cc1cc(cnc1)N cdp227 [2,0,0,0,0,0|2,0,0]=4 95 B8R1.4 Cc1cc(cnc1)O cdp244 [2,0,0,0,0,0|1,0,0]=3 96 B8R1.4 Cc1cc(ncn1)O ct360 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.4 Cc1cccc(n1)I rp205 [2,0,0,0,0,0|2,0,0]=4 98 B8R1.4 Cc1cccc(n1)O cdp208 [2,0,0,0,0,0|1,0,0]=3 99 B8R1.4 Cc1ccnc(c1)I cdp146fp3de2 [2,0,0,0,0,0|2,0,0]=4 100 B8R1.4 Cc1ccnc(c1)S cdp200de1 [2,0,0,0,0,0|1,1,0]=4 101 B8R1.4 c1c(cncc1Cl)N cdp239 [2,0,0,0,0,0|2,0,0]=4 102 B8R1.4 c1c(cncc1F)O cdp249 [2,0,0,0,0,0|2,0,0]=4 103 B8R1.4 c1c(cncc1N)N cdp230 [2,0,0,0,0,0|2,0,0]=4 104 B8R1.4 c1c(cncc1O)N cdp228 [2,0,0,0,0,0|1,0,0]=3 105 B8R1.4 c1c(cncc1O)O cdp229 [2,0,0,0,0,0|2,0,0]=4 106 B8R1.4 c1cc(nc(c1)Cl)N cdp206 [2,0,0,0,0,0|2,0,0]=4 107 B8R1.4 c1cc(nc(c1)F)N cdp192 [2,0,0,0,0,0|2,0,0]=4 108 B8R1.4 c1cc(nc(c1)F)O cdp213 [2,0,0,0,0,0|2,0,0]=4 109 B8R1.4 c1cnc(cc1Br)N cdp131 [2,0,0,0,0,0|2,0,0]=4 110 B8R1.4 c1cnc(cc1Cl)O a006 [2,0,0,0,0,0|2,0,0]=4 111 B8R1.4 c1cnc(cc1F)O cdp132 [2,0,0,0,0,0|2,0,0]=4 112 B8R1.4 c1cnc(cc1I)N un167 [2,0,0,0,0,0|2,0,0]=4 113 B8R1.4 c1cnc(cc1N)N cdp074 [2,0,0,0,0,0|2,0,0]=4 114 B8R1.4 c1cnc(cc1N)O un001 [2,0,0,0,0,0|1,0,0]=3 115 B8R1.4 c1cnc(cc1O)Br cdp119 [2,0,0,0,0,0|2,0,0]=4 116 B8R1.4 c1cnc(cc1O)F cdp106 [2,0,0,0,0,0|2,0,0]=4 117 B8R1.4 c1cnc(cc1O)N cdp115 [2,0,0,0,0,0|1,0,0]=3 118 B10R1.2 CCc1ccnc(c1Br)N abp005 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.2 CCc1ccnc(c1Cl)N acp011 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.2 Cc1cccc(c1C)CN a059 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.8 c1c(cc(cc1N)Cl)CN dn099 [1,1,0,0,0,0|1,0,0]=3 122 B10R1.30 CCC1=CC(=O)C=CC1=O a286 [1,1,0,0,0,0|0,0,1]=3 123 B10R1.30 CCc1c(ccc(n1)C)O a197 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.30 CCc1c(ccc(n1)C)O a282 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.30 CCc1c(ccc(n1)N)Br abp015 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.30 CCc1c(ccc(n1)N)Cl acp023 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.30 CCc1cc(ncc1Br)N abp006 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.30 CCc1cc(ncc1Cl)N acp012 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.30 Cc1ccc(cc1CN)N dn094 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.30 Cc1ccc(cc1OC)N a069 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.172 CCc1cc(ccn1)C#N a007lit3 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.172 COc1cc(cnc1)OC un121fp2 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.172 COc1cccc(n1)CO cia028de2de5 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.172 COc1ccnc(c1)CO cia028de2de3 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.176 CCc1cc(c(nc1)C)O cdp254de9 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.176 CCc1ccc(c(n1)N)Br abp014 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.176 CCc1ccc(c(n1)N)Cl acp022 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.176 CCn1ccc(=O)c(c1)O un340 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.176 Cc1ccc(cc1N)CN dn092 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.176 c1cc(c(cc1CI)Cl)Cl cic017 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.176 c1cc(c(cc1CN)N)Cl dn100 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.1 CCCc1ccc(cn1)O cdp254de6 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.1 Cc1ccc(cc1)\C=N\N un316 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.1 c1cc(ccc1\C=N\N)Br un311 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.1 c1cc(ccc1\C=N\N)Cl un312 [1,1,0,0,0,0|1,0,1]=4 146 B10R1.1 c1cc(ccc1\C=N\N)F un310 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.1 c1cc(ccc1\C=N\N)N un314 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.1 c1cc(ccc1\C=N\N)O un315 [1,1,0,0,0,0|1,0,1]=4 149 B10R1.4 CCCc1ccncc1O cdp254de8 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.17 CN\N=C\c1ccccc1 jmc010 [1,1,0,0,0,0|1,0,1]=4 151 B10R1.17 c1cc(cnc1)CCCCl tv003vp1 [1,1,0,0,0,0|2,0,0]=4 152 B10R1.17 c1cc(cnc1)CCCN tv003 [1,1,0,0,0,0|1,0,0]=3 153 B10R1.17 c1ccc(cc1)C\C=N\O ab004 [1,1,0,0,0,0|0,0,2]=4 154 B10R1.17 c1cnccc1CCCCl tv004vp1 [1,1,0,0,0,0|2,0,0]=4 155 B10R1.17 c1cnccc1CCCN tv004 [1,1,0,0,0,0|1,0,0]=3 156 B12R1.10 Cc1cccc(n1)C(C)(C)CN qe007vp1de1fp1 [0,2,0,0,0,0|2,0,0]=4 157 B12R1.10 Cc1ccnc(c1)C(C)(C)CN qe007vp1de3fp1 [0,2,0,0,0,0|2,0,0]=4 158 B12R1.279 CCCc1ccnc(c1)C(=O)O pic005 [0,2,0,0,0,0|2,0,0]=4 159 B12R1.286 COc1cc(ccc1O)\C=N/N bc025vp1de1 [0,2,0,0,0,0|1,0,1]=4 160 B12R1.288 COc1ccc(cc1O)\C=N/N bc025vp1de2 [0,2,0,0,0,0|1,0,1]=4 161 B12R2.132 c1cc2c(cc1Cl)C(CO2)O rp211de25lit5 [0,1,0,1,0,0|2,0,0]=4 162 B12R2.43 COc1cccc(c1)C2CC2 ll024 [0,1,0,1,0,0|1,0,0]=3 163 B12R2.315 COc1cccc2c1[nH]cc2 md007 [0,1,0,1,0,0|0,0,2]=4 164 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O a165 [0,1,0,1,0,0|0,0,2]=4