0 B9R1.6 B(c1cccnn1)(O)O DA-35187 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 C1CC(=CC=C1)C(=O)N DA-30288 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.13 CC(=C)c1ccc(nc1)Br DA-26820 [0,1,0,0,0,0|3,0,0]=4 3 B10R1.13 CC(=O)c1ccc(cn1)N DA-30880 [0,1,0,0,0,0|2,0,0]=3 4 B10R1.13 CC(=O)c1ccc(nn1)Cl DA-43261 [0,1,0,0,0,0|3,0,0]=4 5 B10R1.13 CC(c1ccc(cc1)Br)Cl DA-29650 [0,1,0,0,0,0|2,0,1]=4 6 B10R1.13 CC(c1ccc(cn1)Cl)O DA-30838 [0,1,0,0,0,0|2,0,1]=4 7 B10R1.13 CC(c1ccc(cn1)F)O DA-48370 [0,1,0,0,0,0|2,0,1]=4 8 B10R1.13 CC(c1ccc(nc1)Br)O DA-30788 [0,1,0,0,0,0|2,0,1]=4 9 B10R1.13 CS(=O)c1ccc(cc1)N DA-22158 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.13 Cc1ccc(cc1)S(=O)C DA-31695 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.13 Cc1ccc(nn1)C(=O)C DA-40581 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.13 Cc1cnc(cn1)C(=O)Cl DA-37121 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.15 C#CC(c1cccnc1)O DA-30570 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.15 CC(c1ccccc1)ON DA-42022 [0,1,0,0,0,0|1,0,1]=3 15 B10R1.15 CNC(=N)c1ccccc1 DA-42718 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.15 COC(=N)c1cccnc1 DA-42038 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.61 CC(=C)c1ccncc1Br DA-45719 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.61 CC(=O)c1cnccc1Br DA-31034 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.61 CC(c1ccccc1N)N DA-28843 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.61 CN(C)c1ccccc1N DA-48516 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.61 CS(=O)c1ccccc1N DA-27649 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.61 Cc1ccccc1C(=C)I DA-31748 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.61 Cc1cccnc1C(=O)Cl DA-23313 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.61 c1c(c(cnn1)O)C(=O)O DA-37308 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.61 c1cc(c(=O)oc1)C(=O)Cl DA-25732 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.61 c1cc(c(=O)oc1)C(=O)O DA-25731 [0,1,0,0,0,0|1,0,0]=2 27 B10R1.61 c1cc(c(nc1)C(=N)N)O DA-25541 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.113 CC(=C)c1cc(cnc1)N DA-38350 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.113 CC(c1cc(ccn1)Br)O DA-44208 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.113 CC(c1cccc(c1)Br)Br DA-42002 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.113 CC(c1cccc(c1)Br)N DA-40700 [0,1,0,0,0,0|2,0,1]=4 32 B10R1.113 CC(c1cccc(n1)F)O DA-30774 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.113 CC(c1ccnc(c1)Br)O DA-31442 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.113 CC(c1ccnc(c1)Cl)O DA-31404 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.113 Cc1cc(ccn1)C(=O)Cl DA-25798 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.113 Cc1ccnc(c1)C(=O)Cl DA-39066 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.113 c1c(cnnc1Cl)C(=O)O DA-36205 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.113 c1c(nc(cn1)N)C(=O)N DA-42773 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.113 c1cc([nH]c(=O)c1)C(=O)Cl DA-30155 [0,1,0,0,0,0|2,0,0]=3 40 B10R1.113 c1cnc(cc1Br)C(=O)Cl DA-39794 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.113 c1cnc(cc1C(=O)Cl)Br DA-26745 [0,1,0,0,0,0|2,0,0]=3 42 B10R1.113 c1cnc(nc1C(=O)O)Cl DA-44173 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.113 c1coc(cc1=O)C(=O)O DA-39015 [0,1,0,0,0,0|1,0,0]=2 44 B10R2.6 c1cc(cnc1)C2CO2 DA-25327 [0,0,0,1,0,0|2,0,1]=4 45 B10R2.6 c1ccnc(c1)C2CO2 DA-28571 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.7 B(C1=CC=C[CH]1)(O)O DA-33630 [0,0,0,0,1,0|1,0,2]=4 47 B8R1.7 C1=CC(=C(Cl)Cl)C=C1 DA-36722 [0,0,0,0,1,0|2,0,0]=3 48 B8R1.7 C1C=C(CO1)C(=O)O DA-27535 [0,0,0,0,1,0|1,0,2]=4 49 B8R1.7 c1c(nco1)C(=O)Cl DA-39022 [0,0,0,0,1,0|3,0,0]=4 50 B8R1.7 c1cc(oc1)C(=N)N DA-33618 [0,0,0,0,1,0|3,0,0]=4 51 B10R1.18 C=C(Cc1ccccc1)Br DA-32140 [0,0,0,0,0,1|2,0,0]=3 52 B10R1.18 CC(=N)Nc1ccccc1 DA-44930 [0,0,0,0,0,1|2,0,0]=3 53 B7R1.3 c1cnc[nH]c1=O DA-42222 [2,0,0,0,0,0|2,0,0]=4 54 B9R0.55 C(=C/C(=O)O)/C=C\C(=O)O DA-47820 [0,1,1,0,0,0|1,0,0]=3 55 B9R1.1 c1c(ncc(=O)[nH]1)C=O DA-21965 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.1 c1cc(ccc1CCl)O DA-22267 [1,1,0,0,0,0|1,0,1]=4 57 B9R1.2 Cc1cc(ncn1)C=O DA-48009 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.2 c1cc([nH]c(=O)c1)CO DA-36752 [1,1,0,0,0,0|1,0,1]=4 59 B9R1.2 c1cc(cc(c1)Cl)CI DA-29565 [1,1,0,0,0,0|1,0,1]=4 60 B9R1.2 c1cnc(=S)[nH]c1C=O DA-27412 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.8 c1ccc(cc1)CNN DA-35038 [1,1,0,0,0,0|1,0,1]=4 62 B9R1.15 CSc1ccccc1[Zn+] DA-35007 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.15 Cc1ccccc1CI DA-30617 [1,1,0,0,0,0|1,0,1]=4 64 B9R1.15 c1cc(c(=O)[nH]c1)CO DA-42463 [1,1,0,0,0,0|1,0,1]=4 65 B9R1.15 c1ccc(c(c1)CI)Cl DA-29576 [1,1,0,0,0,0|1,0,1]=4 66 B9R1.11 CCC(=O)c1ccsc1 DA-31133 [0,1,0,0,1,0|2,0,0]=4 67 B9R1.35 CC(=O)c1cc(sc1)Br DA-30857 [0,1,0,0,1,0|2,0,0]=4 68 B9R1.35 Cc1cc(oc1)C(=O)O DA-39140 [0,1,0,0,1,0|1,0,0]=3 69 B9R1.35 c1c([nH]c(=S)s1)C(=O)O DA-27411 [0,1,0,0,1,0|2,0,0]=4 70 B9R1.35 c1c(c[nH]c1C(=O)N)Cl DA-39743 [0,1,0,0,1,0|2,0,0]=4 71 B9R1.35 c1c(coc1C(=O)Cl)Br DA-39933 [0,1,0,0,1,0|2,0,0]=4 72 B9R1.35 c1c(coc1C(=O)N)Br DA-39932 [0,1,0,0,1,0|2,0,0]=4 73 B9R1.35 c1c(coc1C(=O)O)Cl DA-39695 [0,1,0,0,1,0|1,0,0]=3 74 B9R1.35 c1c(csc1C(=O)O)N DA-21452 [0,1,0,0,1,0|1,0,0]=3 75 B9R1.35 c1c(csc1I)C(=O)O DA-37272 [0,1,0,0,1,0|1,0,0]=3 76 B9R1.35 c1c(nc(o1)Br)C(=O)O DA-26829 [0,1,0,0,1,0|2,0,0]=4 77 B9R1.35 c1c(nc(o1)C(=O)O)Br DA-39914 [0,1,0,0,1,0|2,0,0]=4 78 B9R1.35 c1c(oc(=O)[nH]1)C(=O)O DA-27415 [0,1,0,0,1,0|2,0,0]=4 79 B9R1.35 c1c(onc1N)C(=O)O DA-24177 [0,1,0,0,1,0|2,0,0]=4 80 B9R1.41 CC(=O)c1ccsc1Br DA-31492 [0,1,0,0,1,0|2,0,0]=4 81 B9R1.41 c1[nH]c(c(n1)C(=O)O)Br DA-37925 [0,1,0,0,1,0|2,0,0]=4 82 B9R1.41 c1[nH]c(c(n1)C(=O)O)Cl DA-37625 [0,1,0,0,1,0|2,0,0]=4 83 B9R1.41 c1c(c(no1)C(=O)O)O DA-39350 [0,1,0,0,1,0|2,0,0]=4 84 B9R1.41 c1c(c(ns1)C(=O)O)N DA-41553 [0,1,0,0,1,0|2,0,0]=4 85 B9R1.41 c1c[nH]c(c1Br)C(=O)O DA-24076 [0,1,0,0,1,0|1,0,0]=3 86 B9R1.41 c1c[nH]c(c1Cl)C(=O)O DA-23866 [0,1,0,0,1,0|1,0,0]=3 87 B9R1.41 c1coc(c1C(=O)Cl)I DA-28917 [0,1,0,0,1,0|2,0,0]=4 88 B9R1.41 c1coc(c1C(=O)O)Cl DA-26661 [0,1,0,0,1,0|1,0,0]=3 89 B9R1.41 c1coc(c1C(=O)O)I DA-28916 [0,1,0,0,1,0|1,0,0]=3 90 B9R1.41 c1csc(c1C(=O)O)I DA-26099 [0,1,0,0,1,0|1,0,0]=3 91 B11R1.20 CC(=O)Nc1ccc(=O)[nH]c1 DA-42482 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.20 CC(=O)Nc1ccc(cn1)Cl DA-42408 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.20 c1cc(ncc1CC(=O)N)Cl DA-27982 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.20 c1cc(ncc1I)CC(=O)O DA-37279 [0,1,0,0,0,1|1,0,0]=3 95 B11R1.36 c1ccnc(c1)C(C(=O)O)Br DA-26910 [0,1,0,0,0,1|1,0,0]=3 96 B11R1.40 c1cc(cnc1)CC(=O)NN DA-27595 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.86 CC(=C)Cc1ccccc1O DA-28587 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.86 CC(=O)Oc1cnccc1I DA-24380 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.86 Cc1ccccc1NC(=N)C DA-42654 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.157 CC(=O)Cc1cc(ccn1)Cl DA-40659 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.157 CC(=O)Nc1cc(ccn1)Br DA-48278 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.3 C#Cc1ccc(nc1)C(=O)O DA-43497 [0,2,0,0,0,0|1,0,0]=3 103 B11R1.3 CC(=O)c1ccc(cc1)CCl DA-29902 [0,2,0,0,0,0|1,0,0]=3 104 B11R1.3 CC(=O)c1ccc(cc1)CO DA-31115 [0,2,0,0,0,0|1,0,0]=3 105 B11R1.3 CC(=O)c1ccc(nc1)C=O DA-38113 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.3 CC(=O)c1ccc(nc1)NC DA-29877 [0,2,0,0,0,0|2,0,0]=4 107 B11R1.3 CCc1ccc(nc1)C(=O)C DA-42902 [0,2,0,0,0,0|2,0,0]=4 108 B11R1.3 CNc1ccc(nn1)C(=O)O DA-36743 [0,2,0,0,0,0|2,0,0]=4 109 B11R1.3 COc1ccc(cn1)C(=O)Cl DA-36048 [0,2,0,0,0,0|2,0,0]=4 110 B11R1.3 CS(=O)c1ccc(cc1)CCl DA-30669 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.3 CSc1cnc(cn1)C(=O)O DA-38937 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.3 c1c(cnc(n1)C(=O)O)C#N DA-38903 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.3 c1cc(ccc1C#N)C(=N)N DA-39499 [0,2,0,0,0,0|2,0,0]=4 114 B11R1.19 CC(C)(c1ccc(cc1)N)O DA-28994 [0,2,0,0,0,0|1,0,1]=4 115 B11R1.21 B(c1ccc(c(c1)O)Cl)(O)O DA-35273 [0,2,0,0,0,0|1,0,1]=4 116 B11R1.21 CC(=O)c1ccc(c(c1)O)Br DA-31072 [0,2,0,0,0,0|1,0,0]=3 117 B11R1.21 Cc1cc(ccc1Cl)C(=O)Cl DA-23359 [0,2,0,0,0,0|1,0,0]=3 118 B11R1.21 Cc1cc(cnc1Br)C(=O)O DA-36413 [0,2,0,0,0,0|1,0,0]=3 119 B11R1.21 c1c(c(cnc1C(=O)O)Br)Cl DA-37748 [0,2,0,0,0,0|1,0,0]=3 120 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)Cl DA-37714 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.21 c1c(cnc(c1F)Br)C(=O)O DA-36420 [0,2,0,0,0,0|1,0,0]=3 122 B11R1.21 c1c(cnc(c1I)N)C(=O)O DA-36578 [0,2,0,0,0,0|1,0,0]=3 123 B11R1.21 c1c(cnc(c1N)Cl)C(=O)O DA-38008 [0,2,0,0,0,0|1,0,0]=3 124 B11R1.21 c1c(nc(c(n1)Cl)Cl)C(=O)O DA-38261 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.21 c1cc(c(cc1C(=O)Cl)Br)O DA-24017 [0,2,0,0,0,0|1,0,0]=3 126 B11R1.21 c1cc(c(cc1C(=O)N)Cl)O DA-23797 [0,2,0,0,0,0|1,0,0]=3 127 B11R1.21 c1cc(c(cc1C(=O)N)O)N DA-21337 [0,2,0,0,0,0|1,0,0]=3 128 B11R1.21 c1cc(c(cc1C(=O)[O-])O)O DA-40560 [0,2,0,0,0,0|0,0,1]=3 129 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)I DA-26089 [0,2,0,0,0,0|1,0,1]=4 130 B11R1.22 CNC(=O)c1ccc(cc1)Cl DA-41687 [0,2,0,0,0,0|1,0,0]=3 131 B11R1.22 COC(=C)c1ccc(cc1)Br DA-42246 [0,2,0,0,0,0|1,0,0]=3 132 B11R1.22 COC(=O)c1ccc(nc1)I DA-43524 [0,2,0,0,0,0|1,0,0]=3 133 B11R1.22 COC(=O)c1ncc(cn1)F DA-47059 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.22 COC(=O)c1ncc(cn1)N DA-41536 [0,2,0,0,0,0|2,0,0]=4 135 B11R1.22 Cc1ccc(cc1)C(=O)NN DA-39080 [0,2,0,0,0,0|1,0,0]=3 136 B11R1.22 Cc1ccc(cn1)C(=N)NO DA-42398 [0,2,0,0,0,0|2,0,0]=4 137 B11R1.22 Cc1ccc(cn1)C(=O)CBr DA-26943 [0,2,0,0,0,0|2,0,0]=4 138 B11R1.22 Cc1ccc(cn1)C(=O)CBr DA-26944 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.22 Cc1ccc(nc1)C(=O)NN DA-37083 [0,2,0,0,0,0|2,0,0]=4 140 B11R1.22 c1cc(ncc1Br)C(=O)NN DA-37648 [0,2,0,0,0,0|2,0,0]=4 141 B11R1.22 c1cc(ncc1C(=O)CBr)N DA-30803 [0,2,0,0,0,0|2,0,0]=4 142 B11R1.166 CS(=O)c1ccc(cc1N)Cl DA-37598 [0,2,0,0,0,0|2,0,0]=4 143 B11R1.166 Cc1c(ccc(n1)Br)C(=O)O DA-36476 [0,2,0,0,0,0|1,0,0]=3 144 B11R1.166 Cc1cc(=O)c(n[nH]1)C(=O)O DA-30223 [0,2,0,0,0,0|2,0,0]=4 145 B11R1.166 Cc1cc(c(cn1)C(=O)Cl)Cl DA-39565 [0,2,0,0,0,0|2,0,0]=4 146 B11R1.166 Cc1cc(cnc1C(=O)N)Br DA-37764 [0,2,0,0,0,0|2,0,0]=4 147 B11R1.166 Cc1cc(cnc1C(=O)N)Cl DA-46645 [0,2,0,0,0,0|2,0,0]=4 148 B11R1.166 Cc1cc(ncc1C(=O)O)Br DA-36426 [0,2,0,0,0,0|1,0,0]=3 149 B11R1.166 Cc1ccc(c(c1)Br)[N+](=O)[O-] DA-26836 [0,2,0,0,0,0|1,0,1]=4 150 B11R1.166 Cc1ccc(c(n1)C)C(=O)C DA-31522 [0,2,0,0,0,0|2,0,0]=4 151 B11R1.166 c1c(c(=O)[nH]c(=S)[nH]1)C(=O)O DA-30402 [0,2,0,0,0,0|2,0,0]=4 152 B11R1.166 c1c(cnc(c1N)C(=O)N)Cl DA-42951 [0,2,0,0,0,0|2,0,0]=4 153 B11R1.166 c1cc(c(cc1Cl)O)[N+](=O)[O-] DA-37554 [0,2,0,0,0,0|1,0,1]=4 154 B11R1.166 c1cc(c(cc1O)Cl)C(=O)N DA-26570 [0,2,0,0,0,0|1,0,0]=3 155 B11R1.7 CC(CO)(c1ccccc1)N DA-40677 [0,2,0,0,0,0|1,0,1]=4 156 B11R1.23 C=C(CO)c1cc(cnc1)Br DA-28019 [0,2,0,0,0,0|2,0,0]=4 157 B11R1.23 CCC(=O)c1cc(cnc1)Br DA-30858 [0,2,0,0,0,0|2,0,0]=4 158 B11R1.23 CCC(=O)c1cccc(n1)Br DA-30795 [0,2,0,0,0,0|2,0,0]=4 159 B11R1.23 CCC(c1cccc(c1)Br)O DA-31228 [0,2,0,0,0,0|1,0,1]=4 160 B11R1.23 CNC(=O)c1cc(cnc1)N DA-37982 [0,2,0,0,0,0|2,0,0]=4 161 B11R1.23 CNC(=O)c1cccc(c1)I DA-23501 [0,2,0,0,0,0|1,0,0]=3 162 B11R1.23 COC(=N)c1cccc(c1)Br DA-32715 [0,2,0,0,0,0|1,0,0]=3 163 B11R1.23 Cc1cncc(n1)C(=O)OC DA-42487 [0,2,0,0,0,0|2,0,0]=4 164 B11R1.23 c1cc(cc(c1)Br)C(CO)O DA-31242 [0,2,0,0,0,0|0,0,2]=4 165 B11R1.23 c1cc(cc(c1)Cl)C(C#N)O DA-28462 [0,2,0,0,0,0|1,0,1]=4 166 B11R1.23 c1cc(cc(c1)Cl)C(CO)O DA-31207 [0,2,0,0,0,0|0,0,2]=4 167 B11R1.23 c1cc(cc(c1)N)C(=O)CBr DA-31260 [0,2,0,0,0,0|1,0,0]=3 168 B11R1.23 c1cc(nc(c1)Cl)C(=O)NN DA-36208 [0,2,0,0,0,0|2,0,0]=4 169 B11R1.23 c1cnc(cc1C(=N)NO)Br DA-26729 [0,2,0,0,0,0|2,0,0]=4 170 B11R1.23 c1cnc(cc1C(=N)NO)Cl DA-26358 [0,2,0,0,0,0|2,0,0]=4 171 B11R1.222 CNC(=O)c1cccnc1Cl DA-26356 [0,2,0,0,0,0|2,0,0]=4 172 B11R1.222 CNC(=O)c1ccncc1N DA-24139 [0,2,0,0,0,0|2,0,0]=4 173 B11R1.222 CNC(=O)c1cnccc1N DA-21455 [0,2,0,0,0,0|2,0,0]=4 174 B11R1.222 Cc1c(cccn1)C(=O)CBr DA-26975 [0,2,0,0,0,0|2,0,0]=4 175 B11R1.222 Cc1ccccc1C(C=C)O DA-29126 [0,2,0,0,0,0|1,0,1]=4 176 B11R1.222 Cc1cccnc1C(=O)NN DA-23314 [0,2,0,0,0,0|2,0,0]=4 177 B11R1.222 Cc1ccncc1C(=O)CBr DA-26959 [0,2,0,0,0,0|2,0,0]=4 178 B11R1.222 Cc1ccncc1C(=O)NN DA-39064 [0,2,0,0,0,0|2,0,0]=4 179 B11R1.222 c1ccc(c(c1)C(=O)CO)Cl DA-31414 [0,2,0,0,0,0|0,0,0]=2 180 B11R1.222 c1ccc(c(c1)C(CN)O)Cl DA-43120 [0,2,0,0,0,0|1,0,1]=4 181 B11R1.155 CS(=O)(=O)c1cccc(c1)Cl DA-31716 [0,2,0,0,0,0|1,0,1]=4 182 B11R1.155 CS(=O)(=O)c1cccc(c1)I DA-29301 [0,2,0,0,0,0|1,0,1]=4 183 B11R1.53 C=Cc1cccnc1C(=O)O DA-23202 [0,2,0,0,0,0|1,0,0]=3 184 B11R1.53 CCc1cccnc1C(=O)O DA-23623 [0,2,0,0,0,0|1,0,0]=3 185 B11R1.53 CNc1cnccc1C(=O)O DA-24866 [0,2,0,0,0,0|1,0,0]=3 186 B11R1.53 COc1c(cncn1)C(=O)O DA-23099 [0,2,0,0,0,0|2,0,0]=4 187 B11R1.53 COc1ccccc1C(=C)I DA-31749 [0,2,0,0,0,0|2,0,0]=4 188 B11R1.53 COc1cccnc1C(=O)O DA-23425 [0,2,0,0,0,0|1,0,0]=3 189 B11R1.53 c1cc(c(nc1)CBr)C(=O)O DA-26741 [0,2,0,0,0,0|1,0,0]=3 190 B11R1.53 c1cncc(c1C(=O)O)C#N DA-48066 [0,2,0,0,0,0|1,0,0]=3 191 B11R1.156 CC(c1c(cccc1Br)Cl)O DA-31468 [0,2,0,0,0,0|1,0,1]=4 192 B11R1.156 Cc1cccc(c1C(C)O)Br DA-31467 [0,2,0,0,0,0|1,0,1]=4 193 B11R1.156 c1cc(c(c(c1)Br)C(=O)Cl)Cl DA-26756 [0,2,0,0,0,0|1,0,0]=3 194 B11R1.156 c1cc(c(c(c1)N)C(=O)N)N DA-41658 [0,2,0,0,0,0|1,0,0]=3 195 B11R1.156 c1cnc(c(c1F)C(=O)O)Cl DA-44533 [0,2,0,0,0,0|1,0,0]=3 196 B11R1.159 CC(=O)c1cccc(c1Br)Cl DA-31497 [0,2,0,0,0,0|1,0,0]=3 197 B11R1.159 CC(=O)c1cccc(c1Br)O DA-31496 [0,2,0,0,0,0|1,0,0]=3 198 B11R1.159 CC(=O)c1cccc(c1O)Br DA-31743 [0,2,0,0,0,0|1,0,0]=3 199 B11R1.159 CC(c1cccc(c1O)F)O DA-41458 [0,2,0,0,0,0|1,0,1]=4 200 B11R1.159 Cc1c(cccc1Br)C(=O)C DA-31247 [0,2,0,0,0,0|1,0,0]=3 201 B11R1.159 Cc1cccc(c1Br)C(=O)C DA-31493 [0,2,0,0,0,0|1,0,0]=3 202 B11R1.159 Cn1cncc(c1=O)C(=O)O DA-30160 [0,2,0,0,0,0|2,0,0]=4 203 B11R1.159 c1[nH]c(=O)c(c(n1)C(=O)O)Br DA-37928 [0,2,0,0,0,0|2,0,0]=4 204 B11R1.159 c1c(c(c(cn1)Br)O)C(=O)O DA-37743 [0,2,0,0,0,0|1,0,0]=3 205 B11R1.159 c1c(c(c(cn1)N)N)C(=O)N DA-21996 [0,2,0,0,0,0|2,0,0]=4 206 B11R1.159 c1c[nH]c(=O)c(c1C(=O)Cl)O DA-30315 [0,2,0,0,0,0|2,0,0]=4 207 B11R1.159 c1c[nH]c(=O)c(c1C(=O)O)O DA-30316 [0,2,0,0,0,0|1,0,0]=3 208 B11R1.159 c1cc(c(c(c1)Br)Cl)C(=O)N DA-24063 [0,2,0,0,0,0|1,0,0]=3 209 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)N DA-24052 [0,2,0,0,0,0|1,0,0]=3 210 B11R1.159 c1cc(c(c(c1)Cl)I)C(=O)Cl DA-23852 [0,2,0,0,0,0|1,0,0]=3 211 B11R1.159 c1cc(c(c(c1)F)O)C(=O)N DA-41634 [0,2,0,0,0,0|1,0,0]=3 212 B11R1.159 c1cnc(c(c1C(=O)O)F)Br DA-28949 [0,2,0,0,0,0|1,0,0]=3 213 B11R1.167 CC(=O)c1c(ccc(n1)Cl)F DA-31735 [0,2,0,0,0,0|2,0,0]=4 214 B11R1.167 CC(=O)c1cc(ccc1Cl)Br DA-48073 [0,2,0,0,0,0|1,0,0]=3 215 B11R1.167 CC(=O)c1cc(ncc1F)Br DA-31472 [0,2,0,0,0,0|2,0,0]=4 216 B11R1.167 CC(c1cc(ccc1Br)F)O DA-31471 [0,2,0,0,0,0|1,0,1]=4 217 B11R1.167 CC(c1cc(ccc1Cl)Br)O DA-41450 [0,2,0,0,0,0|1,0,1]=4 218 B11R1.167 Cc1cc(c(nc1)Br)C(=O)O DA-26774 [0,2,0,0,0,0|1,0,0]=3 219 B11R1.167 Cc1ccc(c(n1)C(=O)O)F DA-23601 [0,2,0,0,0,0|1,0,0]=3 220 B11R1.167 Cc1ccc(c(n1)C(=O)O)N DA-25576 [0,2,0,0,0,0|1,0,0]=3 221 B11R1.167 Cc1ccc(cc1C(=O)C)Br DA-30870 [0,2,0,0,0,0|1,0,0]=3 222 B11R1.167 Cc1ccc(cc1C(=O)Cl)Cl DA-37555 [0,2,0,0,0,0|1,0,0]=3 223 B11R1.167 Cc1ccc(cc1C(=O)N)Br DA-37814 [0,2,0,0,0,0|1,0,0]=3 224 B11R1.167 Cc1ccc(nc1C(=O)[O-])Cl DA-44120 [0,2,0,0,0,0|1,0,1]=4 225 B11R1.167 c1c(cnc(c1C(=O)N)Cl)Br DA-41439 [0,2,0,0,0,0|2,0,0]=4 226 B11R1.167 c1cc(c(cc1Br)C(=S)N)O DA-38922 [0,2,0,0,0,0|1,1,0]=4 227 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])I DA-39741 [0,2,0,0,0,0|1,0,1]=4 228 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Cl DA-26469 [0,2,0,0,0,0|1,0,0]=3 229 B11R1.167 c1cc(c(cc1I)[N+](=O)[O-])Br DA-29613 [0,2,0,0,0,0|1,0,1]=4 230 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])I DA-39301 [0,2,0,0,0,0|1,0,1]=4 231 B11R1.74 CC(c1cc(cc(c1)Cl)Cl)O DA-31276 [0,2,0,0,0,0|1,0,1]=4 232 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)C DA-30778 [0,2,0,0,0,0|2,0,0]=4 233 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)N DA-23974 [0,2,0,0,0,0|1,0,0]=3 234 B11R1.74 c1c(cc(cc1O)Cl)[N+](=O)[O-] DA-23763 [0,2,0,0,0,0|1,0,1]=4 235 B11R1.74 c1c(nc(nc1N)N)C(=O)O DA-27161 [0,2,0,0,0,0|2,0,0]=4 236 B11R1.266 B(c1cccc(c1)NC)(O)O DA-35231 [0,2,0,0,0,0|1,0,1]=4 237 B11R1.266 CNc1ccnc(c1)C(=O)O DA-22161 [0,2,0,0,0,0|1,0,0]=3 238 B11R1.266 COc1cccc(n1)C(=O)Cl DA-36050 [0,2,0,0,0,0|2,0,0]=4 239 B11R1.266 COc1ccnc(c1)C(=O)Cl DA-39182 [0,2,0,0,0,0|2,0,0]=4 240 B11R1.266 c1cc(cc(c1)ON)[N+](=O)[O-] DA-40209 [0,2,0,0,0,0|1,0,1]=4 241 B11R1.266 c1cc(nc(c1)C(=O)Cl)CCl DA-36771 [0,2,0,0,0,0|2,0,0]=4 242 B11R2.10 c1cc2c(nc1)sc(=O)o2 DA-30242 [0,0,0,1,0,1|1,0,0]=3 243 B11R2.10 c1cncc2c1[nH]c(=O)o2 DA-41700 [0,0,0,1,0,1|1,0,0]=3 244 B11R2.10 c1cncc2c1oc(=O)[nH]2 DA-42001 [0,0,0,1,0,1|1,0,0]=3 245 B11R2.1 CC1COc2c1cccc2 DA-27551 [0,1,0,1,0,0|1,0,1]=4 246 B11R2.1 c1cc2c(=O)[nH]oc2nc1 DA-33459 [0,1,0,1,0,0|1,0,0]=3 247 B11R2.1 c1cc2c(=O)[nH]sc2nc1 DA-33461 [0,1,0,1,0,0|1,1,0]=4 248 B11R2.1 c1cc2c(c(no2)N)nc1 DA-33460 [0,1,0,1,0,0|2,0,0]=4 249 B11R2.1 c1ccc2c(c1)c([nH]n2)N DA-26181 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.1 c1csnc1C=O DA-23476 [1,0,0,0,1,0|2,0,0]=4 251 B11R1.91 CC(=CCc1ccccc1)C DA-32020 [0,0,0,0,0,2|2,0,0]=4 252 B11R1.91 CC(=O)CCc1ccncc1 DA-22457 [0,0,0,0,0,2|2,0,0]=4 253 B11R1.91 c1c(cncn1)C=CC(=O)O DA-25070 [0,0,0,0,0,2|2,0,0]=4 254 B11R1.91 c1cc(cnc1)OCC(=O)N DA-40394 [0,0,0,0,0,2|2,0,0]=4 255 B11R1.91 c1ccc(cc1)CNC(=O)Cl DA-35039 [0,0,0,0,0,2|1,0,0]=3 256 B11R1.91 c1cnc(cn1)CCC(=O)O DA-41743 [0,0,0,0,0,2|2,0,0]=4 257 B11R1.91 c1cnccc1C#CC(=O)O DA-25115 [0,0,0,0,0,2|1,0,0]=3