0 B9R1.6 B(c1ccccn1)(O)O un097 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.6 CS(=O)c1ccccn1 ct006vp1fp4 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.6 CS(=O)c1ccncc1 bio026 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 c1cc(nnc1)C(=O)O a065 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.2 c1cc(cnc1)CI cic018 [1,0,0,0,0,0|2,0,1]=4 5 B8R1.2 c1cc(nnc1)CO a065vp [1,0,0,0,0,0|2,0,1]=4 6 B8R1.2 c1ccc(cc1)CI a245 [1,0,0,0,0,0|1,0,1]=3 7 B8R1.2 c1cncnc1C=O a249 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.13 B(c1ccc(cn1)Br)(O)O pb034 [0,1,0,0,0,0|2,0,1]=4 9 B10R1.13 B(c1ccc(cn1)C)(O)O un095 [0,1,0,0,0,0|2,0,1]=4 10 B10R1.13 B(c1ccc(nc1)C)(O)O un119 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] cdp160 [0,1,0,0,0,0|2,0,1]=4 12 B10R1.13 Cc1ccc(nc1)C(=O)N cdp147fp1 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.13 Cc1ccc(nc1)C(=O)O cdp147 [0,1,0,0,0,0|1,0,0]=2 14 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] cdp140 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] un178 [0,1,0,0,0,0|1,0,0]=2 16 B10R1.13 c1cc(ncc1C(=O)O)Br ct055 [0,1,0,0,0,0|1,0,0]=2 17 B10R1.13 c1cc(ncc1C(=O)O)F cdp137 [0,1,0,0,0,0|1,0,0]=2 18 B10R1.13 c1cc(ncc1C(=O)O)I un202 [0,1,0,0,0,0|1,0,0]=2 19 B10R1.13 c1cc(ncc1Cl)C(=O)N cdp104vp1de13 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.13 c1cc(ncc1F)C(=O)N cdp187fp8 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.13 c1cc(ncc1F)C(=O)O cdp187 [0,1,0,0,0,0|1,0,0]=2 22 B10R1.13 c1cc(ncc1F)[N+](=O)[O-] rp019 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.13 c1cc(ncc1I)C(=O)O cdp165de1 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.13 c1cc(ncc1N)C(=O)O ct083 [0,1,0,0,0,0|1,0,0]=2 25 B10R1.13 c1cc(ncc1N)[N+](=O)[O-] cdp152 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.13 c1cc(ncc1O)C(=O)O ct074 [0,1,0,0,0,0|1,0,0]=2 27 B10R1.13 c1cc(ncc1O)[N+](=O)[O-] cdp154 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.13 c1cc(ncc1S)C(=O)O cdp157de3 [0,1,0,0,0,0|1,0,0]=2 29 B10R1.13 c1cc(ncc1[N+](=O)[O-])F cdp138 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.15 c1cc(cnc1)C(=O)C=O wh081de2 [0,1,0,0,0,0|1,0,1]=3 31 B10R1.15 c1ccnc(c1)C(=O)C=O wh081de3 [0,1,0,0,0,0|1,0,1]=3 32 B10R1.15 c1cnc(cn1)C(=O)C=O wh081de9 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.15 c1cnccc1C(=O)C=O wh081de8 [0,1,0,0,0,0|1,0,1]=3 34 B10R1.28 CS(=O)(=O)c1ccccn1 ct006vp1fp3 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.28 c1cc(cnc1)S(=O)(=O)N ct044fp2de16 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.28 c1cnccc1S(=O)(=O)O a137 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.61 B(c1c(cccn1)C)(O)O pb030 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.61 B(c1c(cccn1)F)(O)O pb038 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.61 B(c1cccnc1C)(O)O pb035 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.61 B(c1ccncc1F)(O)O cdp288vp1 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.61 B(c1cnccc1Br)(O)O a005vp2 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.61 B(c1cnccc1C)(O)O un083 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.61 B(c1cnccc1Cl)(O)O a004vp2 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.61 CC(=O)c1c(cccn1)Cl cdp027vp1fp1 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.61 Cc1c(cccn1)C(=O)O cdp048 [0,1,0,0,0,0|1,0,0]=2 46 B10R1.61 Cc1cccnc1[N+](=O)[O-] cdp051 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.61 Cc1cnccc1C(=O)C cdp263fp2 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.61 Cc1cnccc1C(=O)N cin074 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.61 Cc1cnccc1C(=O)O cdp263 [0,1,0,0,0,0|1,0,0]=2 50 B10R1.61 Cc1cnccc1[N+](=O)[O-] cdp255 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] cdp049 [0,1,0,0,0,0|2,0,1]=4 52 B10R1.61 c1cc(c(nc1)C(=O)N)Cl cdp104vp1de8 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.61 c1cc(c(nc1)C(=O)N)F cdp006fp1 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.61 c1cc(c(nc1)C(=O)O)Br cdp045 [0,1,0,0,0,0|1,0,0]=2 55 B10R1.61 c1cc(c(nc1)C(=O)O)Cl cdp027 [0,1,0,0,0,0|1,0,0]=2 56 B10R1.61 c1cc(c(nc1)C(=O)O)F cdp006 [0,1,0,0,0,0|1,0,0]=2 57 B10R1.61 c1cc(c(nc1)C(=O)O)N ct255 [0,1,0,0,0,0|1,0,0]=2 58 B10R1.61 c1cc(c(nc1)C(=O)O)S cdp157de1 [0,1,0,0,0,0|1,0,0]=2 59 B10R1.61 c1cc(c(nc1)Cl)[N+](=O)[O-] cdp038 [0,1,0,0,0,0|2,0,1]=4 60 B10R1.61 c1cc(c(nc1)F)C(=O)O cdp072 [0,1,0,0,0,0|1,0,0]=2 61 B10R1.61 c1cc(c(nc1)F)[N+](=O)[O-] cdp070 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.61 c1cc(c(nc1)I)C(=O)O un202de1 [0,1,0,0,0,0|1,0,0]=2 63 B10R1.61 c1cc(c(nc1)I)[N+](=O)[O-] rp226 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] cdp007 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])Br cdp032 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])Cl cdp033 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])I cdp057fp1 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])N cdp057 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.61 c1cncc(c1C(=O)N)Br ct051fp1 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.61 c1cncc(c1C(=O)N)Cl cdp104vp1de12 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.61 c1cncc(c1C(=O)O)Br ct051 [0,1,0,0,0,0|1,0,0]=2 72 B10R1.61 c1cncc(c1C(=O)O)F cdp252 [0,1,0,0,0,0|1,0,0]=2 73 B10R1.61 c1cncc(c1C(=O)O)N f002a [0,1,0,0,0,0|1,0,0]=2 74 B10R1.61 c1cncc(c1C(=O)O)O f002 [0,1,0,0,0,0|1,0,0]=2 75 B10R1.61 c1cncc(c1C(=O)O)S cdp157de8 [0,1,0,0,0,0|1,0,0]=2 76 B10R1.61 c1cncc(c1Cl)C(=O)N cdp104vp1de10 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.61 c1cncc(c1I)C(=O)O ct438 [0,1,0,0,0,0|1,0,0]=2 78 B10R1.61 c1cncc(c1N)C(=O)O cdp268 [0,1,0,0,0,0|1,0,0]=2 79 B10R1.61 c1cncc(c1N)[N+](=O)[O-] cdp256 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.61 c1cncc(c1O)C(=O)O ct342 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.61 c1cncc(c1S)C(=O)O cdp157de5 [0,1,0,0,0,0|1,0,0]=2 82 B10R1.61 c1cncc(c1[N+](=O)[O-])Cl cdp273 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.61 c1cncc(c1[N+](=O)[O-])N cdp276 [0,1,0,0,0,0|2,0,1]=4 84 B10R1.61 c1cncc(c1[N+](=O)[O-])O cdp275 [0,1,0,0,0,0|2,0,1]=4 85 B10R1.113 B(c1cc(ccn1)C)(O)O un096 [0,1,0,0,0,0|2,0,1]=4 86 B10R1.113 B(c1cc(cnc1)C)(O)O un080 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.113 B(c1cccc(n1)Br)(O)O un092 [0,1,0,0,0,0|2,0,1]=4 88 B10R1.113 B(c1cccc(n1)C)(O)O un094 [0,1,0,0,0,0|2,0,1]=4 89 B10R1.113 B(c1cccc(n1)Cl)(O)O pb029 [0,1,0,0,0,0|2,0,1]=4 90 B10R1.113 B(c1cccc(n1)F)(O)O pb031 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.113 B(c1ccnc(c1)Br)(O)O ct069fp3 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.113 C1C(C=CC=C1C(=O)O)N tj021 [0,1,0,0,0,0|0,0,2]=3 93 B10R1.113 CC(=O)c1cc(ccn1)Br cdp113fp9 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.113 Cc1cc(ccn1)C(=O)N cdp082fp3 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.113 Cc1cc(ccn1)C(=O)O cdp082 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.113 Cc1cc(cnc1)C(=O)N cdp225de1 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.113 Cc1cc(cnc1)C(=O)O cdp225 [0,1,0,0,0,0|1,0,0]=2 98 B10R1.113 Cc1cccc(n1)[N+](=O)[O-] cdp198 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.113 Cc1ccnc(c1)C(=O)N cdp081fp3 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.113 Cc1ccnc(c1)C(=O)O cdp081 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.113 Cc1ccnc(c1)[N+](=O)[O-] cdp097 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.113 c1c(cncc1Br)C(=O)O cdp240vp1 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.113 c1c(cncc1Br)[N+](=O)[O-] cdp236 [0,1,0,0,0,0|2,0,1]=4 104 B10R1.113 c1c(cncc1Cl)C(=O)N cdp104vp1de11 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.113 c1c(cncc1Cl)C(=O)O ct036 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.113 c1c(cncc1Cl)[N+](=O)[O-] cdp238 [0,1,0,0,0,0|2,0,1]=4 107 B10R1.113 c1c(cncc1F)C(=O)N cdp221fp3 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.113 c1c(cncc1I)C(=O)O cdp240fp1 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.113 c1c(cncc1N)C(=O)N cdp240fp2 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.113 c1c(cncc1N)C(=O)O cdp240 [0,1,0,0,0,0|1,0,0]=2 111 B10R1.113 c1c(cncc1O)[N+](=O)[O-] cdp248 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.113 c1c(cncc1S)C(=O)O cdp157de6 [0,1,0,0,0,0|1,0,0]=2 113 B10R1.113 c1c(cncc1[N+](=O)[O-])N cdp223 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.113 c1cc(nc(c1)Br)C(=O)O cdp202 [0,1,0,0,0,0|1,0,0]=2 115 B10R1.113 c1cc(nc(c1)Cl)C(=O)N cdp104vp1de9 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.113 c1cc(nc(c1)Cl)[N+](=O)[O-] cdp209 [0,1,0,0,0,0|2,0,1]=4 117 B10R1.113 c1cc(nc(c1)F)C(=O)O cdp191 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.113 c1cc(nc(c1)S)C(=O)O cdp157de4 [0,1,0,0,0,0|1,0,0]=2 119 B10R1.113 c1cc(nc(c1)[N+](=O)[O-])N cdp197 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.113 c1cnc(cc1Br)C(=O)N cdp113fp7 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.113 c1cnc(cc1Br)C(=O)O cdp113 [0,1,0,0,0,0|1,0,0]=2 122 B10R1.113 c1cnc(cc1C(=O)O)Br cdp128 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.113 c1cnc(cc1C(=O)O)F cdp073 [0,1,0,0,0,0|1,0,0]=2 124 B10R1.113 c1cnc(cc1C(=O)O)N cdp088 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.113 c1cnc(cc1C(=O)O)S cdp157de7 [0,1,0,0,0,0|1,0,0]=2 126 B10R1.113 c1cnc(cc1Cl)C(=O)N cdp104vp1 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.113 c1cnc(cc1Cl)C(=O)O cdp085 [0,1,0,0,0,0|1,0,0]=2 128 B10R1.113 c1cnc(cc1Cl)[N+](=O)[O-] cdp127 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.113 c1cnc(cc1F)C(=O)O un200 [0,1,0,0,0,0|1,0,0]=2 130 B10R1.113 c1cnc(cc1N)[N+](=O)[O-] cdp094 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.113 c1cnc(cc1O)C(=O)O cdp108 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.113 c1cnc(cc1O)[N+](=O)[O-] cdp133 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.113 c1cnc(cc1S)C(=O)O cdp157de2 [0,1,0,0,0,0|1,0,0]=2 134 B10R1.113 c1cnc(cc1[N+](=O)[O-])Br cdp086 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.113 c1cnc(cc1[N+](=O)[O-])F cdp098 [0,1,0,0,0,0|2,0,1]=4 136 B10R1.113 c1cnc(cc1[N+](=O)[O-])N cdp083 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.113 c1cnc(cc1[N+](=O)[O-])O cdp084 [0,1,0,0,0,0|2,0,1]=4 138 B8R1.7 CC(=O)c1ccoc1 f001 [0,0,0,0,1,0|2,0,0]=3 139 B8R1.7 c1c[nH]nc1C(=O)O a078 [0,0,0,0,1,0|2,0,0]=3 140 B8R1.7 c1csc(n1)C(=O)O a079 [0,0,0,0,1,0|2,0,0]=3 141 B8R1.7 c1cscc1[N+](=O)[O-] un070lit3 [0,0,0,0,1,0|2,0,1]=4 142 B7R0.1 C(=C\C=O)/C=C/C=O tox013 [1,0,1,0,0,0|1,0,0]=3 143 B7R1.3 c1cc(nnc1)O jg113 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.1 c1c(cnc(n1)C=O)O un185 [1,1,0,0,0,0|2,0,0]=4 145 B9R1.1 c1cc(ccc1C#N)S a230 [1,1,0,0,0,0|1,0,1]=4 146 B9R1.1 c1cc(ccc1[N+]#N)Br jmc051 [1,1,0,0,0,0|2,0,0]=4 147 B9R1.1 c1cc(ccc1[N+]#N)F jmc052 [1,1,0,0,0,0|2,0,0]=4 148 B9R1.1 c1cc(ncc1C=O)I rp017 [1,1,0,0,0,0|1,0,0]=3 149 B9R1.1 c1cc(ncc1CO)I rp017vp2 [1,1,0,0,0,0|1,0,1]=4 150 B9R1.1 c1cc(ncc1F)CO cdp187fp3 [1,1,0,0,0,0|1,0,1]=4 151 B9R1.1 c1cc(ncc1O)C=O un184 [1,1,0,0,0,0|1,0,0]=3 152 B9R1.2 Cc1cc(ccn1)C=O cia032 [1,1,0,0,0,0|1,0,0]=3 153 B9R1.2 Cc1cc(cnc1)CO cdp225fp3 [1,1,0,0,0,0|1,0,1]=4 154 B9R1.2 Cc1ccnc(c1)CO cia036lit3 [1,1,0,0,0,0|1,0,1]=4 155 B9R1.2 c1c(cncc1Br)CO cdp240vp1fp1 [1,1,0,0,0,0|1,0,1]=4 156 B9R1.2 c1c(cncc1N)CO cdp240fp3fp1 [1,1,0,0,0,0|1,0,1]=4 157 B9R1.2 c1c(cncc1O)C=O cia038de1 [1,1,0,0,0,0|1,0,0]=3 158 B9R1.2 c1c(cncc1O)CO cdp240fp3fp2 [1,1,0,0,0,0|1,0,1]=4 159 B9R1.2 c1cc(cc(c1)S)C#N a230de1 [1,1,0,0,0,0|1,0,1]=4 160 B9R1.2 c1cc(nc(c1)O)C=O un195 [1,1,0,0,0,0|1,0,0]=3 161 B9R1.2 c1cnc(cc1Br)C=O cdp113fp1 [1,1,0,0,0,0|1,0,0]=3 162 B9R1.2 c1cnc(cc1Br)CO cdp107fp4 [1,1,0,0,0,0|1,0,1]=4 163 B9R1.2 c1cnc(cc1C=O)Br cia021 [1,1,0,0,0,0|1,0,0]=3 164 B9R1.2 c1cnc(cc1C=O)Cl cia025 [1,1,0,0,0,0|1,0,0]=3 165 B9R1.2 c1cnc(cc1C=O)F cia020 [1,1,0,0,0,0|1,0,0]=3 166 B9R1.2 c1cnc(cc1C=O)O cia015 [1,1,0,0,0,0|1,0,0]=3 167 B9R1.2 c1cnc(cc1Cl)C=O un125 [1,1,0,0,0,0|1,0,0]=3 168 B9R1.8 c1ccc(cc1)C#N=O jmc047 [1,1,0,0,0,0|0,0,1]=3 169 B9R1.8 c1ccc(cc1)\C=N\N un308 [1,1,0,0,0,0|1,0,0]=3 170 B9R1.15 Cc1ccncc1C=O ct051vp1fp3 [1,1,0,0,0,0|1,0,0]=3 171 B9R1.15 Cc1cnccc1C=O cia026 [1,1,0,0,0,0|1,0,0]=3 172 B9R1.15 c1cc(c(nc1)C=O)Cl un125de1 [1,1,0,0,0,0|1,0,0]=3 173 B9R1.15 c1cc(c(nc1)C=O)N ct255fp3fp9 [1,1,0,0,0,0|1,0,0]=3 174 B9R1.15 c1cc(c(nc1)CO)N ct255fp3fp8 [1,1,0,0,0,0|1,0,1]=4 175 B9R1.15 c1cncc(c1Br)C=O cia024de4 [1,1,0,0,0,0|1,0,0]=3 176 B9R1.15 c1cncc(c1C=O)Cl cia027 [1,1,0,0,0,0|1,0,0]=3 177 B9R1.15 c1cncc(c1C=O)F cia035 [1,1,0,0,0,0|1,0,0]=3 178 B9R1.15 c1cncc(c1C=O)N cia033 [1,1,0,0,0,0|1,0,0]=3 179 B9R1.15 c1cncc(c1C=O)O cia038 [1,1,0,0,0,0|1,0,0]=3 180 B9R1.15 c1cncc(c1CO)Br ct051fp5 [1,1,0,0,0,0|1,0,1]=4 181 B9R1.15 c1cncc(c1CO)F fpzz0408fp1 [1,1,0,0,0,0|1,0,1]=4 182 B9R1.15 c1cncc(c1CO)N f002afp4 [1,1,0,0,0,0|1,0,1]=4 183 B9R1.15 c1cncc(c1CO)O f002fp1fp3 [1,1,0,0,0,0|1,0,1]=4 184 B9R1.15 c1cncc(c1O)C=O rp183 [1,1,0,0,0,0|1,0,0]=3 185 B9R1.15 c1cncc(c1O)CO f002fp1fp3de1 [1,1,0,0,0,0|1,0,1]=4 186 B9R1.11 c1cc([nH]c1)C(=O)C=O wh081de16 [0,1,0,0,1,0|1,0,1]=4 187 B9R1.11 c1cc(oc1)C(=O)C=O wh081de13 [0,1,0,0,1,0|1,0,1]=4 188 B9R1.11 c1cc(sc1)C(=O)C=O wh081de11 [0,1,0,0,1,0|1,0,1]=4 189 B9R1.11 c1cscc1C(=O)C=O wh081de4 [0,1,0,0,1,0|1,0,1]=4 190 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 tj007 [0,1,0,0,0,1|1,0,0]=3 191 B11R1.20 CC(=O)Oc1ccc(=O)[nH]c1 f011fp2 [0,1,0,0,0,1|2,0,0]=4 192 B11R1.20 c1cc(ccc1C[N+](=O)[O-])Cl jmc036 [0,1,0,0,0,1|1,0,1]=4 193 B11R1.20 c1cn(ccc1=O)CC(=O)O ct443 [0,1,0,0,0,1|1,0,0]=3 194 B11R1.36 C=C(c1ccccc1)C(=O)O f066 [0,1,0,0,0,1|0,0,0]=2 195 B11R1.36 CC(c1ccccc1)C(=O)N jmc043 [0,1,0,0,0,1|1,0,0]=3 196 B11R1.40 C=CC(Cc1ccccc1)O jmc125 [0,1,0,0,0,1|1,0,1]=4 197 B11R1.86 CC(=O)Nc1c(cccn1)Cl cdp036fp8 [0,1,0,0,0,1|2,0,0]=4 198 B11R1.157 CC(=O)Nc1cc(ccn1)Br cdp131fp12 [0,1,0,0,0,1|2,0,0]=4 199 B11R1.157 CC(=O)Nc1cc(ccn1)Cl cdp104fp1 [0,1,0,0,0,1|2,0,0]=4 200 B11R1.157 CC(=O)Nc1cccc(n1)O cdp194fp7 [0,1,0,0,0,1|2,0,0]=4 201 B11R1.157 c1cnc(cc1Cl)NC(=O)N cdp112fp23 [0,1,0,0,0,1|2,0,0]=4 202 B11R1.509 c1ccc(cc1)OS(=O)(=O)N jmc011 [0,1,0,0,0,1|1,0,1]=4 203 B11R1.3 CC(=O)c1ccc(nc1)C#N cdp027vp1de8 [0,2,0,0,0,0|2,0,0]=4 204 B11R1.3 CC(=O)c1ccc(nc1)CO cia036lit3de4 [0,2,0,0,0,0|2,0,0]=4 205 B11R1.3 CCc1ccc(nc1)C(=O)O ct080 [0,2,0,0,0,0|1,0,0]=3 206 B11R1.3 COc1ccc(nc1)C(=O)O cdp317 [0,2,0,0,0,0|1,0,0]=3 207 B11R1.3 CS(=O)c1ccc(cc1)C=O bio025 [0,2,0,0,0,0|2,0,0]=4 208 B11R1.3 CS(=O)c1ccc(cc1)CO bio024 [0,2,0,0,0,0|2,0,0]=4 209 B11R1.3 c1cc(ncc1C#N)C(=O)O cin119de2 [0,2,0,0,0,0|1,0,0]=3 210 B11R1.3 c1cc(ncc1C(=O)O)NN a252vp1 [0,2,0,0,0,0|1,0,0]=3 211 B11R1.3 c1cc(ncc1CCl)C(=O)O cdp183de2 [0,2,0,0,0,0|1,0,0]=3 212 B11R1.3 c1cc(ncc1NO)C(=O)O cdp165fp3 [0,2,0,0,0,0|1,0,0]=3 213 B11R1.19 Cc1ccc(cn1)S(=O)(=O)O cdp148 [0,2,0,0,0,0|2,0,0]=4 214 B11R1.19 Cc1ccc(nc1)S(=O)(=O)O cdp136de2 [0,2,0,0,0,0|2,0,0]=4 215 B11R1.19 c1cc(ncc1N)S(=O)(=O)O cdp156de2 [0,2,0,0,0,0|2,0,0]=4 216 B11R1.19 c1cc(ncc1O)S(=O)(=O)O cdp189 [0,2,0,0,0,0|2,0,0]=4 217 B11R1.19 c1cc(ncc1S(=O)(=O)O)Cl cdp159 [0,2,0,0,0,0|2,0,0]=4 218 B11R1.19 c1cc(ncc1S(=O)(=O)O)N cdp156 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.19 c1cc(ncc1S(=O)(=O)O)O cdp151 [0,2,0,0,0,0|2,0,0]=4 220 B11R1.21 Cc1c(ccc(n1)C(=O)O)Cl rp211de38 [0,2,0,0,0,0|1,0,0]=3 221 B11R1.21 Cc1c(ccc(n1)C(=O)O)I rp211de34 [0,2,0,0,0,0|1,0,0]=3 222 B11R1.21 Cc1cc(cnc1C)C(=O)O ct077de1 [0,2,0,0,0,0|1,0,0]=3 223 B11R1.21 Cc1ccc(nc1C)C(=O)O rp126 [0,2,0,0,0,0|1,0,0]=3 224 B11R1.21 c1c(=O)c(c[nH]c1C(=O)O)O un165lit2 [0,2,0,0,0,0|1,0,0]=3 225 B11R1.21 c1c(cnc(c1Br)Br)C(=O)O un145 [0,2,0,0,0,0|1,0,0]=3 226 B11R1.21 c1c(cnc(c1Br)I)C(=O)O cdp240vp1fp4 [0,2,0,0,0,0|1,0,0]=3 227 B11R1.21 c1c(cnc(c1Br)N)C(=O)N abp002 [0,2,0,0,0,0|2,0,0]=4 228 B11R1.21 c1c(cnc(c1Cl)N)C(=O)N acp003 [0,2,0,0,0,0|2,0,0]=4 229 B11R1.21 c1c(cnc(c1Cl)N)C(=O)O acp005 [0,2,0,0,0,0|1,0,0]=3 230 B11R1.21 c1cc(c(cc1C(=O)O)Br)N ps016 [0,2,0,0,0,0|0,0,0]=2 231 B11R1.21 c1cc(nc(c1Br)N)C(=O)O cdp104fp6de28 [0,2,0,0,0,0|1,0,0]=3 232 B11R1.21 c1cc(nc(c1Br)O)C(=O)O cdp236vp3de2 [0,2,0,0,0,0|1,0,0]=3 233 B11R1.21 c1cc(nc(c1Cl)N)C(=O)O cdp104fp6de27 [0,2,0,0,0,0|1,0,0]=3 234 B11R1.21 c1cc(nc(c1O)Cl)C(=O)O ct074fp8a [0,2,0,0,0,0|1,0,0]=3 235 B11R1.21 c1cc(nc(c1O)I)C(=O)O ct074fp6 [0,2,0,0,0,0|1,0,0]=3 236 B11R1.22 CNC(=O)c1ccc(cn1)Cl cdp183fp7 [0,2,0,0,0,0|2,0,0]=4 237 B11R1.22 CNC(=O)c1ccc(cn1)F cdp187fp5 [0,2,0,0,0,0|2,0,0]=4 238 B11R1.22 COC(=O)c1ccc(cn1)F cdp187fp1 [0,2,0,0,0,0|1,0,0]=3 239 B11R1.22 COC(=O)c1ccc(cn1)I ct255fp8de5 [0,2,0,0,0,0|1,0,0]=3 240 B11R1.22 COC(=O)c1ccc(cn1)O ct074fp7 [0,2,0,0,0,0|1,0,0]=3 241 B11R1.22 COC(=O)c1ccc(nc1)I cdp263fp1de26 [0,2,0,0,0,0|1,0,0]=3 242 B11R1.22 Cc1ccc(nc1)C(=O)NN cdp147fp2 [0,2,0,0,0,0|2,0,0]=4 243 B11R1.22 Cc1ccc(nc1)C(=O)OC fpzz0294fp1 [0,2,0,0,0,0|1,0,0]=3 244 B11R1.22 c1cc(ncc1F)C(=O)CBr cdp187fp7 [0,2,0,0,0,0|2,0,0]=4 245 B11R1.22 c1cc(ncc1F)C(=O)NN cdp187fp6 [0,2,0,0,0,0|2,0,0]=4 246 B11R1.166 Cc1c(ccc(n1)N)C(=O)O rp107 [0,2,0,0,0,0|1,0,0]=3 247 B11R1.166 Cc1c[n+](ccc1C(=O)O)[O-] cdp263fp6 [0,2,0,0,0,0|1,0,0]=3 248 B11R1.166 Cc1cc(c(nc1)C(=O)O)C cdp147de2 [0,2,0,0,0,0|1,0,0]=3 249 B11R1.166 Cc1cc(ncc1C(=O)O)C ct077 [0,2,0,0,0,0|1,0,0]=3 250 B11R1.166 c1c(c(cnc1Br)C(=O)O)Br ct010vp1fp2fp1 [0,2,0,0,0,0|1,0,0]=3 251 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl ct365 [0,2,0,0,0,0|1,0,0]=3 252 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br pic009 [0,2,0,0,0,0|1,0,0]=3 253 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl cdp108de4 [0,2,0,0,0,0|1,0,0]=3 254 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] a257 [0,2,0,0,0,0|1,0,1]=4 255 B11R1.166 c1cc(nc(c1C(=O)O)O)N cdp194fp6 [0,2,0,0,0,0|1,0,0]=3 256 B11R1.7 COS(=O)(=O)c1ccccn1 ct006vp1fp5 [0,2,0,0,0,0|2,0,0]=4 257 B11R1.12 c1ccc(cc1)\C(=C/Br)\C=O cdp180vp2fp3 [0,2,0,0,0,0|1,0,0]=3 258 B11R1.12 c1ccc(cc1)\C(=C\N)\C#N pw043 [0,2,0,0,0,0|2,0,0]=4 259 B11R1.23 CNC(=O)c1cc(ccn1)Cl cdp104vp1de1 [0,2,0,0,0,0|2,0,0]=4 260 B11R1.23 COC(=O)c1cc(ccn1)Br cdp113fp2 [0,2,0,0,0,0|1,0,0]=3 261 B11R1.23 COC(=O)c1cc(ccn1)Cl un125vp1 [0,2,0,0,0,0|1,0,0]=3 262 B11R1.23 COC(=O)c1cc(ccn1)O cdp263fp1de16 [0,2,0,0,0,0|1,0,0]=3 263 B11R1.23 COC(=O)c1cc(cnc1)Cl ct036fp1 [0,2,0,0,0,0|1,0,0]=3 264 B11R1.23 COC(=O)c1cc(cnc1)F cdp221fp1 [0,2,0,0,0,0|1,0,0]=3 265 B11R1.23 COC(=O)c1cc(cnc1)I ct255fp8de4 [0,2,0,0,0,0|1,0,0]=3 266 B11R1.23 COC(=O)c1cc(cnc1)N cdp240fp3 [0,2,0,0,0,0|1,0,0]=3 267 B11R1.23 COC(=O)c1cccc(n1)N cdp203fp2 [0,2,0,0,0,0|1,0,0]=3 268 B11R1.23 COC(=O)c1ccnc(c1)I ct255fp8de8 [0,2,0,0,0,0|1,0,0]=3 269 B11R1.23 Cc1cc(ccn1)C(=O)OC cdp082fp1 [0,2,0,0,0,0|1,0,0]=3 270 B11R1.23 Cc1ccnc(c1)C(=O)OC cdp081fp1 [0,2,0,0,0,0|1,0,0]=3 271 B11R1.222 COC(=O)c1c(cccn1)Cl cdp027fp1 [0,2,0,0,0,0|1,0,0]=3 272 B11R1.222 COC(=O)c1c(cccn1)F cdp006fp2 [0,2,0,0,0,0|1,0,0]=3 273 B11R1.222 COC(=O)c1c(cccn1)I ct255fp8 [0,2,0,0,0,0|1,0,0]=3 274 B11R1.222 COC(=O)c1c(cccn1)N ct255fp3 [0,2,0,0,0,0|1,0,0]=3 275 B11R1.222 COC(=O)c1ccncc1Br ct051de1 [0,2,0,0,0,0|1,0,0]=3 276 B11R1.222 COC(=O)c1ccncc1Cl cdp302fp1 [0,2,0,0,0,0|1,0,0]=3 277 B11R1.222 COC(=O)c1ccncc1F cdp263fp1de2 [0,2,0,0,0,0|1,0,0]=3 278 B11R1.222 COC(=O)c1ccncc1I cin101 [0,2,0,0,0,0|1,0,0]=3 279 B11R1.222 COC(=O)c1ccncc1N f002de1 [0,2,0,0,0,0|1,0,0]=3 280 B11R1.222 COC(=O)c1ccncc1O f002fp1 [0,2,0,0,0,0|1,0,0]=3 281 B11R1.222 COC(=O)c1cnccc1Br cdp282fp1 [0,2,0,0,0,0|1,0,0]=3 282 B11R1.222 COC(=O)c1cnccc1Cl cdp270fp1 [0,2,0,0,0,0|1,0,0]=3 283 B11R1.222 COC(=O)c1cnccc1I ct255fp8de3 [0,2,0,0,0,0|1,0,0]=3 284 B11R1.222 Cc1cnccc1C(=O)OC cdp263fp1 [0,2,0,0,0,0|1,0,0]=3 285 B11R1.87 Cc1c(cccn1)S(=O)(=O)O cdp136de1 [0,2,0,0,0,0|2,0,0]=4 286 B11R1.87 Cc1cccnc1S(=O)(=O)O cdp003 [0,2,0,0,0,0|2,0,0]=4 287 B11R1.87 Cc1ccncc1S(=O)(=O)O cdp265 [0,2,0,0,0,0|2,0,0]=4 288 B11R1.87 Cc1cnccc1S(=O)(=O)O cdp280 [0,2,0,0,0,0|2,0,0]=4 289 B11R1.87 c1cc(c(nc1)Cl)S(=O)(=O)O cdp059 [0,2,0,0,0,0|2,0,0]=4 290 B11R1.87 c1cc(c(nc1)N)S(=O)(=O)O cdp053 [0,2,0,0,0,0|2,0,0]=4 291 B11R1.87 c1cc(c(nc1)O)S(=O)(=O)O cdp058 [0,2,0,0,0,0|2,0,0]=4 292 B11R1.87 c1cc(c(nc1)S(=O)(=O)O)N cdp029 [0,2,0,0,0,0|2,0,0]=4 293 B11R1.87 c1cc(c(nc1)S(=O)(=O)O)O cdp019 [0,2,0,0,0,0|2,0,0]=4 294 B11R1.87 c1ccc(c(c1)O)S(=O)(=O)[O-] un150de11 [0,2,0,0,0,0|1,0,1]=4 295 B11R1.87 c1cncc(c1Cl)S(=O)(=O)O ct058 [0,2,0,0,0,0|2,0,0]=4 296 B11R1.155 CC(C)(c1cccc(c1)O)O bc208vp1 [0,2,0,0,0,0|1,0,1]=4 297 B11R1.155 Cc1cc(ccn1)S(=O)(=O)O cdp136 [0,2,0,0,0,0|2,0,0]=4 298 B11R1.155 Cc1cc(cnc1)S(=O)(=O)O ct044 [0,2,0,0,0,0|2,0,0]=4 299 B11R1.155 Cc1cccc(c1)S(=O)(=O)O un150de11de2 [0,2,0,0,0,0|1,0,0]=3 300 B11R1.155 Cc1cccc(n1)S(=O)(=O)O cdp199 [0,2,0,0,0,0|2,0,0]=4 301 B11R1.155 Cc1ccnc(c1)S(=O)(=O)O cdp101 [0,2,0,0,0,0|2,0,0]=4 302 B11R1.155 c1c(cncc1S(=O)(=O)O)N cdp156de1 [0,2,0,0,0,0|2,0,0]=4 303 B11R1.155 c1cc(cc(c1)S(=O)(=O)O)O un333 [0,2,0,0,0,0|1,0,0]=3 304 B11R1.155 c1cc(nc(c1)Cl)S(=O)(=O)O cdp217 [0,2,0,0,0,0|2,0,0]=4 305 B11R1.155 c1cc(nc(c1)S(=O)(=O)O)N cdp216 [0,2,0,0,0,0|2,0,0]=4 306 B11R1.155 c1cnc(cc1N)S(=O)(=O)O cdp156de3 [0,2,0,0,0,0|2,0,0]=4 307 B11R1.53 COc1ccncc1C(=O)O ct342lit1 [0,2,0,0,0,0|1,0,0]=3 308 B11R1.53 COc1cnccc1C(=O)O cia028de2np1 [0,2,0,0,0,0|1,0,0]=3 309 B11R1.53 c1cc(c(nc1)C(=O)O)C#N cin119de1 [0,2,0,0,0,0|1,0,0]=3 310 B11R1.53 c1cc(c(nc1)NN)C(=O)O a252vp1de1 [0,2,0,0,0,0|1,0,0]=3 311 B11R1.156 CC(=O)c1c(cncc1Br)F a114fp5 [0,2,0,0,0,0|2,0,0]=4 312 B11R1.156 Cc1cncc(c1C(=O)O)C rp036 [0,2,0,0,0,0|1,0,0]=3 313 B11R1.156 c1c(c(c(cn1)Br)C(=O)O)F a114fp8 [0,2,0,0,0,0|1,0,0]=3 314 B11R1.156 c1cnc(c(c1Cl)C(=O)O)F cdp118fp2 [0,2,0,0,0,0|1,0,0]=3 315 B11R1.156 c1cnc(c(c1Cl)C(=O)O)O un236 [0,2,0,0,0,0|1,0,0]=3 316 B11R1.156 c1cnc(c(c1N)C(=O)O)O un237 [0,2,0,0,0,0|1,0,0]=3 317 B11R1.159 Cc1c(c(ccn1)C(=O)O)N cin106de3 [0,2,0,0,0,0|1,0,0]=3 318 B11R1.159 Cc1cncc(c1C)C(=O)O ct077de4 [0,2,0,0,0,0|1,0,0]=3 319 B11R1.159 c1c(c(c(cn1)Br)I)C(=O)O cdp240vp1fp3 [0,2,0,0,0,0|1,0,0]=3 320 B11R1.159 c1c(c(c(cn1)Br)N)C(=O)O cdp268fp3 [0,2,0,0,0,0|1,0,0]=3 321 B11R1.159 c1c(c(c(cn1)N)N)C(=O)O dap036 [0,2,0,0,0,0|1,0,0]=3 322 B11R1.159 c1cnc(c(c1C(=O)N)N)Cl cin017 [0,2,0,0,0,0|2,0,0]=4 323 B11R1.159 c1cnc(c(c1C(=O)O)Br)O cdp236vp3de4 [0,2,0,0,0,0|1,0,0]=3 324 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl cin105 [0,2,0,0,0,0|1,0,0]=3 325 B11R1.159 c1cnc(c(c1C(=O)O)Cl)F rp022 [0,2,0,0,0,0|1,0,0]=3 326 B11R1.159 c1cnc(c(c1C(=O)O)F)F rp011 [0,2,0,0,0,0|1,0,0]=3 327 B11R1.159 c1cnc(c(c1C(=O)O)N)Cl cin106de5 [0,2,0,0,0,0|1,0,0]=3 328 B11R1.167 Cc1cc(c(cn1)N)C(=O)O cin106de4 [0,2,0,0,0,0|1,0,0]=3 329 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O rp124 [0,2,0,0,0,0|1,0,0]=3 330 B11R1.167 Cc1cc(c(nc1)F)C(=O)O un206 [0,2,0,0,0,0|1,0,0]=3 331 B11R1.167 Cc1ccc(c(n1)C(=O)O)Cl rp211de40 [0,2,0,0,0,0|1,0,0]=3 332 B11R1.167 Cc1ccc(c(n1)C(=O)O)I rp211de7 [0,2,0,0,0,0|1,0,0]=3 333 B11R1.167 c1c(c(cnc1F)F)C(=O)O rp151 [0,2,0,0,0,0|1,0,0]=3 334 B11R1.167 c1c(cnc(c1C(=O)O)F)F rp010 [0,2,0,0,0,0|1,0,0]=3 335 B11R1.167 c1c(cnc(c1C(=O)O)N)Cl un204 [0,2,0,0,0,0|1,0,0]=3 336 B11R1.74 Cc1cc(cc(n1)C(=O)O)Br rp211de2 [0,2,0,0,0,0|1,0,0]=3 337 B11R1.74 Cc1cc(cc(n1)C(=O)O)Cl rp211 [0,2,0,0,0,0|1,0,0]=3 338 B11R1.74 Cc1cc(cc(n1)C)C(=O)C cia036de3 [0,2,0,0,0,0|2,0,0]=4 339 B11R1.74 Cc1cc(cc(n1)C)C(=O)O cia036de1 [0,2,0,0,0,0|1,0,0]=3 340 B11R1.74 Cc1cc(nc(c1)C(=O)O)C rp211de4 [0,2,0,0,0,0|1,0,0]=3 341 B11R1.74 c1c(c[n+](cc1F)[O-])C(=O)O cdp221fp2 [0,2,0,0,0,0|1,0,0]=3 342 B11R1.74 c1c(cc(nc1C(=O)O)O)Cl cdp108de8 [0,2,0,0,0,0|1,0,0]=3 343 B11R1.266 CC(=O)c1cc(ccn1)CO cia036lit3de11 [0,2,0,0,0,0|2,0,0]=4 344 B11R1.266 CC(=O)c1cccc(n1)C#N cdp027vp1de8de1 [0,2,0,0,0,0|2,0,0]=4 345 B11R1.266 CC(=O)c1cccc(n1)CO cia036lit3de10 [0,2,0,0,0,0|2,0,0]=4 346 B11R1.266 CC(=O)c1ccnc(c1)C#N cdp027vp1de9 [0,2,0,0,0,0|2,0,0]=4 347 B11R1.266 CC(=O)c1ccnc(c1)CO cia036lit3de9 [0,2,0,0,0,0|2,0,0]=4 348 B11R1.266 CC(=O)c1ccnc(c1)OC cia028vp1fp2 [0,2,0,0,0,0|2,0,0]=4 349 B11R1.266 CCc1cccc(n1)C(=O)O cdp147de3 [0,2,0,0,0,0|1,0,0]=3 350 B11R1.266 CCc1ccnc(c1)C(=O)O cdp147de1 [0,2,0,0,0,0|1,0,0]=3 351 B11R1.266 c1cc([nH]\c(=N\N)\c1)C(=O)N un385 [0,2,0,0,0,0|2,0,0]=4 352 B11R1.266 c1cc(cc(c1)C(=O)O)CO tv010 [0,2,0,0,0,0|0,0,0]=2 353 B11R1.266 c1cc(nc(c1)C(=O)O)C#N cin119de3 [0,2,0,0,0,0|1,0,0]=3 354 B11R1.266 c1cc(nc(c1)C(=O)O)C=O rp040 [0,2,0,0,0,0|1,0,0]=3 355 B11R1.266 c1cnc(cc1C(=O)O)C#N cin119 [0,2,0,0,0,0|1,0,0]=3 356 B11R1.266 c1cnc(cc1C(=O)O)CN cin119fp1 [0,2,0,0,0,0|1,0,0]=3 357 B11R1.266 c1cnc(cc1C(=O)O)NN a252vp1de2 [0,2,0,0,0,0|1,0,0]=3 358 B11R1.266 c1cnc(cc1C(=O)O)NN a252vp1de3 [0,2,0,0,0,0|1,0,0]=3 359 B11R2.10 Cc1cc2ccncc2o1 f002fp4 [0,0,0,1,0,1|2,0,0]=4 360 B11R2.1 c1cc2c(c(=O)[nH][nH]2)nc1 ct255fp6 [0,1,0,1,0,0|2,0,0]=4 361 B11R2.1 c1cc2c(c(no2)N)nc1 cdp027vp1fp5 [0,1,0,1,0,0|2,0,0]=4 362 B11R2.1 c1ccc2c(c1)c(cs2)N un070de6 [0,1,0,1,0,0|1,1,0]=4 363 B11R2.1 c1cncc2c1C(=O)CO2 f002fp6 [0,1,0,1,0,0|1,0,0]=3 364 B11R2.1 c1cncc2c1c(=O)[nH]o2 f002fp1fp1 [0,1,0,1,0,0|1,0,0]=3 365 B7R1.1 C=Cc1ccsc1 a214 [1,0,0,0,1,0|2,0,0]=4