0 B9R1.8 c1ccc(cc1)C#N=O jmc047 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.8 c1ccc(cc1)\C=N\N un308 [0,0,0,0,0,0|1,0,1]=2 2 B8R1.2 c1cc(cnc1)CI cic018 [1,0,0,0,0,0|2,0,0]=3 3 B8R1.2 c1cc(nnc1)CO a065vp [1,0,0,0,0,0|3,0,0]=4 4 B8R1.2 c1ccc(cc1)CI a245 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.1 CCCc1ccc(cn1)O cdp254de6 [0,1,0,0,0,0|2,0,0]=3 6 B10R1.1 CCNc1ccc(nc1)C ct051vp1fp2de8 [0,1,0,0,0,0|3,0,0]=4 7 B10R1.1 CCOc1ccc(cn1)C a007de1de8 [0,1,0,0,0,0|3,0,0]=4 8 B10R1.1 CCOc1ccc(cn1)N a007de1de4 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.1 CCOc1ccc(nc1)Br ct091de3 [0,1,0,0,0,0|3,0,0]=4 10 B10R1.1 CCOc1ccc(nc1)N a007de1de1 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.1 Cc1ccc(cc1)\C=N\N un316 [0,1,0,0,0,0|1,0,1]=3 12 B10R1.1 Cc1ccc(cn1)CC=C cdp145fp3 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.1 c1cc(ccc1C#N=O)Cl jmc048 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.1 c1cc(ccc1\C=N\N)Br un311 [0,1,0,0,0,0|1,0,1]=3 15 B10R1.1 c1cc(ccc1\C=N\N)Cl un312 [0,1,0,0,0,0|1,0,1]=3 16 B10R1.1 c1cc(ccc1\C=N\N)F un310 [0,1,0,0,0,0|1,0,1]=3 17 B10R1.1 c1cc(ccc1\C=N\N)N un314 [0,1,0,0,0,0|1,0,1]=3 18 B10R1.1 c1cc(ccc1\C=N\N)O un315 [0,1,0,0,0,0|1,0,1]=3 19 B10R1.1 c1cc(ncc1F)CC#N cdp182fp1 [0,1,0,0,0,0|1,0,2]=4 20 B10R1.4 CCCc1ccncc1O cdp254de8 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.4 CCNc1cnccc1C ct051vp1fp2de2 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.4 CCOc1c(cccn1)C a007de1de11 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.4 CCOc1c(cccn1)Cl cin105vpfp2 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.4 CCOc1c(cccn1)N a007de1de3 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.4 CCOc1cccnc1Br ct091de1 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.4 CCOc1cccnc1C rp328 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.4 CCOc1cccnc1N rp140 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.4 CCOc1ccncc1Br ct091de6 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.4 CCOc1ccncc1C ct091de2de5 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.4 CCOc1ccncc1Cl ct091de2de7 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.4 CCOc1ccncc1F ct091de2de6 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.4 CCOc1cnccc1Br ct091de7 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.4 CCOc1cnccc1N a007de1de13 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.4 c1cc(c(nc1)CC#N)Br un067fp1 [0,1,0,0,0,0|1,0,2]=4 35 B10R1.10 CCCc1ccnc(c1)N a177 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.10 CCNc1cc(cnc1)C ct051vp1fp2de13 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.10 CCNc1ccc[n+](c1)[O-] cdp027vp2fp7de4 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.10 CCNc1cccc(n1)N cdp206fp13 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.10 CCOc1cc(ccn1)Br ct091 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.10 CCOc1cc(ccn1)C a007de1de9 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.10 CCOc1cc(ccn1)Cl a007de1fp1 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.10 CCOc1cc(ccn1)N a007de1 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.10 CCOc1cc(cnc1)Cl rp121 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.10 CCOc1cc(cnc1)N cdp229de1 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.10 CCOc1cc(cnc1)O cdp229de2 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.10 CCOc1cccc(n1)C a007de1de7 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.10 CCOc1cccc(n1)F rp007 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.10 CCOc1cccc(n1)N cdp194fp3vp1 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.10 CCOc1ccnc(c1)Br ct091de2 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.10 CCOc1ccnc(c1)C ct091de2de3 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.10 CCOc1ccnc(c1)Cl ct091de2de2 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.10 CCOc1ccnc(c1)F ct091de2de8 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.10 CCOc1ccnc(c1)N ct368 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.10 Cc1cccc(c1)\C=N\N un309 [0,1,0,0,0,0|1,0,1]=3 55 B10R1.10 c1cc(cc(c1)Br)\C=N\N un317 [0,1,0,0,0,0|1,0,1]=3 56 B10R1.10 c1cc(cc(c1)Cl)\C=N\N un318 [0,1,0,0,0,0|1,0,1]=3 57 B10R1.10 c1cc(cc(c1)Cl)\C=N\O jmc046 [0,1,0,0,0,0|2,0,1]=4 58 B10R1.10 c1cc(cc(c1)N)\C=N\N un319 [0,1,0,0,0,0|1,0,1]=3 59 B10R1.10 c1cc(cc(c1)O)\C=N\N un321 [0,1,0,0,0,0|1,0,1]=3 60 B10R1.17 CN\N=C\c1ccccc1 jmc010 [0,1,0,0,0,0|1,0,1]=3 61 B10R1.17 c1cc(cnc1)CCCCl tv003vp1 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.17 c1cc(cnc1)CCCN tv003 [0,1,0,0,0,0|1,0,0]=2 63 B10R1.17 c1ccc(cc1)C\C=N\O ab004 [0,1,0,0,0,0|0,0,2]=3 64 B10R1.17 c1cnccc1CCCCl tv004vp1 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.17 c1cnccc1CCCN tv004 [0,1,0,0,0,0|1,0,0]=2 66 B10R2.7 c1c[nH]c2c1ccnc2 md013 [0,0,0,1,0,0|1,0,2]=4 67 B10R2.7 c1cc2c(cc[nH]2)nc1 md008 [0,0,0,1,0,0|1,0,2]=4 68 B10R2.7 c1ccc2cscc2c1 hs2-b024lit9 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.3 c1cnncc1N ct267 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.1 CCc1ccc(cn1)N s006fp2 [1,1,0,0,0,0|1,0,0]=3 71 B9R1.1 CCc1ccc(cn1)O cdp254de7 [1,1,0,0,0,0|1,0,0]=3 72 B9R1.1 COc1ccc(nc1)Cl cdp172fp2 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.1 COc1ccc(nc1)F ct074fp3vp1de5 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.1 COc1ccc(nc1)O rp224 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.1 Cc1ccc(cn1)NC ct051vp1fp2de6 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.1 Cc1ccc(cn1)OC rp054 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.1 c1cc(ccc1C#N)S a230 [1,1,0,0,0,0|0,0,2]=4 78 B9R1.1 c1cc(ccc1[N+]#N)Br jmc051 [1,1,0,0,0,0|1,0,1]=4 79 B9R1.1 c1cc(ccc1[N+]#N)F jmc052 [1,1,0,0,0,0|1,0,1]=4 80 B9R1.1 c1cc(ncc1Br)CBr cdp145fp4 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.1 c1cc(ncc1CBr)Br fpzz0302fp2 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.1 c1cc(ncc1CO)I rp017vp2 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.1 c1cc(ncc1Cl)CBr cdp179fp1 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.1 c1cc(ncc1F)CO cdp187fp3 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.2 CCc1cc(ccn1)Br a007lit2 [1,1,0,0,0,0|1,0,0]=3 86 B9R1.2 CCc1cc(ccn1)N a007lit1 [1,1,0,0,0,0|1,0,0]=3 87 B9R1.2 CCc1cccc(n1)O a006de4 [1,1,0,0,0,0|1,0,0]=3 88 B9R1.2 CCc1ccnc(c1)O a006de3 [1,1,0,0,0,0|1,0,0]=3 89 B9R1.2 CNc1cc(ccn1)N cdp092fp29 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.2 CNc1ccc[n+](c1)[O-] cdp027vp2fp7de5 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.2 CNc1cccc(n1)N cdp206fp14 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.2 COc1cc(ccn1)Br a007lit7 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.2 COc1cc(ccn1)Cl a007lit6 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.2 COc1cc(ccn1)F rp327 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.2 COc1cc(ccn1)I a007lit5 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.2 COc1cc(ccn1)O a007lit4 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.2 COc1cc(cnc1)Cl rp120 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.2 COc1ccc[n+](c1)[O-] ll002 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.2 COc1cccc(n1)O a006de5 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.2 COc1ccnc(c1)N cdp104fp2 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.2 COc1ccnc(c1)O rp240 [1,1,0,0,0,0|2,0,0]=4 102 B9R1.2 CSc1cc(ccn1)N cdp092fp28 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.2 CSc1ccnc(c1)Cl cdp092fp3 [1,1,0,0,0,0|2,0,0]=4 104 B9R1.2 CSc1ccnc(c1)N cdp104fp42 [1,1,0,0,0,0|2,0,0]=4 105 B9R1.2 Cc1cc(ccn1)OC cdp316vpfp1 [1,1,0,0,0,0|2,0,0]=4 106 B9R1.2 Cc1cc(cnc1)CCl cdp225fp2 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.2 Cc1cc(cnc1)CO cdp225fp3 [1,1,0,0,0,0|2,0,0]=4 108 B9R1.2 Cc1cc(cnc1)NC ct051vp1fp2de12 [1,1,0,0,0,0|2,0,0]=4 109 B9R1.2 Cc1cc(cnc1)OC ct074fp3vp1de6 [1,1,0,0,0,0|2,0,0]=4 110 B9R1.2 Cc1ccnc(c1)CO cia036lit3 [1,1,0,0,0,0|2,0,0]=4 111 B9R1.2 c1c(cncc1Br)CO cdp240vp1fp1 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.2 c1c(cncc1N)CO cdp240fp3fp1 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.2 c1c(cncc1O)CO cdp240fp3fp2 [1,1,0,0,0,0|2,0,0]=4 114 B9R1.2 c1cc(c[n+](c1)[O-])NN cdp027vp2fp7de1 [1,1,0,0,0,0|2,0,0]=4 115 B9R1.2 c1cc(cc(c1)S)C#N a230de1 [1,1,0,0,0,0|0,0,2]=4 116 B9R1.2 c1cnc(cc1Br)CBr cdp107fp13 [1,1,0,0,0,0|2,0,0]=4 117 B9R1.2 c1cnc(cc1Br)CO cdp107fp4 [1,1,0,0,0,0|2,0,0]=4 118 B9R1.2 c1cnc(cc1Cl)CN cdp104vp1a [1,1,0,0,0,0|1,0,0]=3 119 B9R1.6 CS(=O)c1ccccn1 ct006vp1fp4 [1,1,0,0,0,0|2,0,0]=4 120 B9R1.6 CS(=O)c1ccncc1 bio026 [1,1,0,0,0,0|2,0,0]=4 121 B9R1.15 CCc1cccnc1O a006de13 [1,1,0,0,0,0|1,0,0]=3 122 B9R1.15 COc1ccncc1F ct091de2de9 [1,1,0,0,0,0|2,0,0]=4 123 B9R1.15 COc1ccncc1O rp265 [1,1,0,0,0,0|2,0,0]=4 124 B9R1.15 COc1cnccc1Cl ct074fp3vp1de9 [1,1,0,0,0,0|2,0,0]=4 125 B9R1.15 CSc1c(cccn1)Cl cin105vpfp5 [1,1,0,0,0,0|2,0,0]=4 126 B9R1.15 Cc1c(cccn1)OC ct074fp3vp1de1 [1,1,0,0,0,0|2,0,0]=4 127 B9R1.15 Cc1ccncc1NC ct051vp1fp2 [1,1,0,0,0,0|2,0,0]=4 128 B9R1.15 Cc1ccncc1OC ct051vp1fp10 [1,1,0,0,0,0|2,0,0]=4 129 B9R1.15 Cc1cnccc1OC rp234 [1,1,0,0,0,0|2,0,0]=4 130 B9R1.15 c1cc(c(nc1)CBr)Cl cdp023fp1 [1,1,0,0,0,0|2,0,0]=4 131 B9R1.15 c1cc(c(nc1)CN)Cl cdp027vp1fp2 [1,1,0,0,0,0|1,0,0]=3 132 B9R1.15 c1cc(c(nc1)CO)N ct255fp3fp8 [1,1,0,0,0,0|2,0,0]=4 133 B9R1.15 c1cncc(c1CO)Br ct051fp5 [1,1,0,0,0,0|2,0,0]=4 134 B9R1.15 c1cncc(c1CO)F fpzz0408fp1 [1,1,0,0,0,0|2,0,0]=4 135 B9R1.15 c1cncc(c1CO)N f002afp4 [1,1,0,0,0,0|2,0,0]=4 136 B9R1.15 c1cncc(c1CO)O f002fp1fp3 [1,1,0,0,0,0|2,0,0]=4 137 B9R1.15 c1cncc(c1O)CO f002fp1fp3de1 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.1 COCOc1ccc(cc1)Br dq127vp1 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.1 c1cc(ncc1OCCBr)Cl cdp172fp18 [0,2,0,0,0,0|2,0,0]=4 140 B11R1.20 c1cc(ccc1C[N+](=O)[O-])Cl jmc036 [0,2,0,0,0,0|2,0,0]=4 141 B11R1.20 c1cc(ccc1OC(F)F)F ud008 [0,2,0,0,0,0|2,0,0]=4 142 B11R1.81 CCCn1ccc(=O)cc1C cdp100fp3 [0,2,0,0,0,0|2,0,0]=4 143 B11R1.81 Cc1ccc(c(c1)C)CCN a062 [0,2,0,0,0,0|0,0,0]=2 144 B11R1.81 c1cc(c(cc1Br)F)\C=N/N bc025vp1de4 [0,2,0,0,0,0|1,0,1]=4 145 B11R1.83 c1cc(ccc1\C=N\N)C#N un313 [0,2,0,0,0,0|1,0,1]=4 146 B11R1.192 c1cc(c(cc1\C=N/N)F)F bc025vp1de5 [0,2,0,0,0,0|1,0,1]=4 147 B11R1.192 c1cc(c(cc1\C=N/N)O)O bc025vp1de3 [0,2,0,0,0,0|1,0,1]=4 148 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCN a057 [0,2,0,0,0,0|0,0,0]=2 149 B11R1.17 c1cncc(c1CCCO)Br ct051vp1fp4 [0,2,0,0,0,0|2,0,0]=4 150 B11R1.24 Cc1cccc(c1)OCC#C fd131lit18 [0,2,0,0,0,0|1,0,1]=4 151 B11R1.189 c1cc(cc(c1)C#N)\C=N\N un320 [0,2,0,0,0,0|1,0,1]=4 152 B11R1.7 CC(C)(CN)c1ccccn1 qe007 [0,2,0,0,0,0|1,0,0]=3 153 B11R1.12 c1ccc(cc1)C(C#N)C#N un212vp1de15 [0,2,0,0,0,0|0,0,2]=4 154 B11R1.12 c1ccc(cc1)\C(=C\N)\C#N pw043 [0,2,0,0,0,0|0,0,2]=4 155 B11R1.36 CC(c1ccccc1)C(=O)N jmc043 [0,2,0,0,0,0|0,0,1]=3 156 B11R1.28 c1cc(cnc1)CCCCN tv004lit2 [0,2,0,0,0,0|1,0,0]=3 157 B11R1.28 c1ccnc(c1)CCCCN tv004lit6 [0,2,0,0,0,0|1,0,0]=3 158 B11R1.28 c1cnccc1CCCCN tv004lit1 [0,2,0,0,0,0|1,0,0]=3 159 B11R1.40 C=CC(Cc1ccccc1)O jmc125 [0,2,0,0,0,0|1,0,0]=3 160 B11R1.91 CN(C)\N=C\c1ccccc1 a083 [0,2,0,0,0,0|1,0,1]=4 161 B11R1.509 c1ccc(cc1)OS(=O)(=O)N jmc011 [0,2,0,0,0,0|2,0,0]=4 162 B11R2.34 Cc1ccc(cc1)C2CC2 ll027 [0,1,0,1,0,0|1,0,0]=3 163 B11R2.34 c1cc(ccc1C2CC2)Cl ll020 [0,1,0,1,0,0|1,0,0]=3 164 B11R2.34 c1cc(ccc1C2CC2)F ll021 [0,1,0,1,0,0|1,0,0]=3 165 B11R2.36 c1cc(cc2c1cc[nH]2)N md003 [0,1,0,1,0,0|0,0,2]=4 166 B11R2.36 c1cc2c(cc[nH]2)cc1Cl md017 [0,1,0,1,0,0|0,0,2]=4 167 B11R2.20 c1cc2c(nc1)CCCO2 un291 [0,1,0,1,0,0|2,0,0]=4 168 B11R2.55 Cc1ccccc1C2CC2 ll026 [0,1,0,1,0,0|1,0,0]=3 169 B11R2.55 c1ccc(c(c1)C2CC2)Cl ll018 [0,1,0,1,0,0|1,0,0]=3 170 B11R2.55 c1ccc(c(c1)C2CC2)F ll022 [0,1,0,1,0,0|1,0,0]=3 171 B11R2.106 Cc1cccc2c1cn[nH]2 ct453 [0,1,0,1,0,0|1,0,1]=4 172 B11R2.106 c1cc2c(cc[nH]2)c(c1)O md016 [0,1,0,1,0,0|0,0,2]=4 173 B11R2.35 Cc1cc(ccn1)C2CC2 cdp107fp24 [0,1,0,1,0,0|2,0,0]=4 174 B11R2.35 Cc1cccc(c1)C2CC2 ll025 [0,1,0,1,0,0|1,0,0]=3 175 B11R2.35 c1cc(cc(c1)Cl)C2CC2 ll019 [0,1,0,1,0,0|1,0,0]=3 176 B11R2.35 c1cc(cc(c1)F)C2CC2 ll023 [0,1,0,1,0,0|1,0,0]=3 177 B11R2.35 c1cc(cc(c1)O)C2CC2 ll012 [0,1,0,1,0,0|1,0,0]=3 178 B11R2.1 c1ccc2c(c1)c(cs2)N un070de6 [0,1,0,1,0,0|0,0,2]=4 179 B11R2.1 c1cncc2c1C(CO2)O f002fp5 [0,1,0,1,0,0|2,0,0]=4 180 B11R2.238 c1ccc(cc1)NC2CC2 bio045 [0,1,0,1,0,0|1,0,0]=3 181 B7R1.1 c1cocc1CBr fpzz0131fp1 [1,0,0,0,1,0|2,0,0]=4