0 B8R1.1 C1=CC(=O)O[C@@H]1CO LS30091 [0,0,0,0,0,0|1,0,3]=4 1 B8R1.1 Cc1ccc(s1)C=O LS20392 [0,0,0,0,0,0|0,1,0]=1 2 B8R1.1 c1c(coc1C=O)Br LS20868 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.1 c1c(csc1C=O)Br LS20660 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.1 c1cc(sc1CCl)Cl LS20823 [0,0,0,0,0,0|2,1,1]=4 5 B7R1.1 c1c(nc[nH]1)C=O LS20992 [1,0,0,0,0,0|2,0,0]=3 6 B7R1.1 c1c(ncs1)C=O LS21128 [1,0,0,0,0,0|2,0,0]=3 7 B7R1.1 c1cc([nH]c1)C=O LS00119 [1,0,0,0,0,0|1,0,0]=2 8 B7R1.1 c1cc(sc1)C=O LS40350 [1,0,0,0,0,0|0,1,0]=2 9 B7R1.1 c1cc(sc1)CO LS20642 [1,0,0,0,0,0|0,1,2]=4 10 B7R1.1 c1cnc([nH]1)C=O LS20564 [1,0,0,0,0,0|2,0,0]=3 11 B7R1.1 c1csc(n1)C=O LS20580 [1,0,0,0,0,0|1,1,0]=3 12 B7R1.1 c1cscc1C=O LS20646 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [1,0,0,0,0,0|1,0,2]=4 14 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [1,0,0,0,0,0|1,0,2]=4 15 B7R1.2 Cc1cc(cs1)Br LS20656 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.2 Cc1ccc(s1)Br LS20655 [1,0,0,0,0,0|1,1,0]=3 17 B7R1.2 Cc1ccc(s1)C LS20641 [1,0,0,0,0,0|0,1,1]=3 18 B7R1.2 Cc1ccc(s1)Cl LS20653 [1,0,0,0,0,0|1,1,0]=3 19 B7R1.2 Cc1ccn(n1)C LS20249 [1,0,0,0,0,0|2,0,1]=4 20 B7R1.2 Cc1cnc(s1)N LS20937 [1,0,0,0,0,0|2,1,0]=4 21 B7R1.2 Cn1ccc(n1)N LS20251 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.2 c1cc(sc1Br)Br LS20657 [1,0,0,0,0,0|2,1,0]=4 23 B9R1.21 c1cc(oc1C=O)C=O LS20855 [0,1,0,0,0,0|0,0,1]=2 24 B9R1.35 B(c1ccc(o1)C)(O)O LS11076 [0,1,0,0,0,0|1,0,1]=3 25 B9R1.35 Cc1cc([nH]n1)C(=O)O LS20817 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.35 Cc1cc(n[nH]1)C(=O)O LS20295 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.35 Cc1ccc(s1)C(=O)O LS20662 [0,1,0,0,0,0|0,1,0]=2 28 B9R1.35 Cc1ncc(s1)C(=O)O LS21069 [0,1,0,0,0,0|1,1,0]=3 29 B9R1.35 Cc1nnc(o1)C(=O)[O-] LS40165 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.35 c1c(csc1C(=O)O)Br LS20661 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.35 c1c(nc(s1)Br)C(=O)N LS21070 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.35 c1c(sc(n1)Br)C(=O)O LS21091 [0,1,0,0,0,0|2,1,0]=4 33 B9R1.35 c1cc(sc1C(=O)O)Br LS20297 [0,1,0,0,0,0|1,1,0]=3 34 B9R1.35 c1cc(sc1C(=O)O)Cl LS20472 [0,1,0,0,0,0|1,1,0]=3 35 B9R1.1 C=Cc1ccc(cc1)Br LS11650 [0,0,0,0,0,1|3,0,0]=4 36 B9R1.1 C=Cc1ccc(cc1)Cl LS11649 [0,0,0,0,0,1|3,0,0]=4 37 B9R1.1 Cc1ccc(cc1)C#C LS10578 [0,0,0,0,0,1|2,0,1]=4 38 B9R1.1 Cc1ccc(cc1)CBr LS11264 [0,0,0,0,0,1|2,0,1]=4 39 B9R1.1 Cc1ccc(cc1)CN LS11220 [0,0,0,0,0,1|2,0,1]=4 40 B9R1.1 Cc1ccc(cc1)CO LS11273 [0,0,0,0,0,1|1,0,2]=4 41 B9R1.1 Cc1ccc(nc1)C#N LS20218 [0,0,0,0,0,1|2,0,1]=4 42 B9R1.1 Cc1ccc(nc1)OC LS20323 [0,0,0,0,0,1|3,0,0]=4 43 B9R1.1 c1cc(ccc1C=O)Cl LS10198 [0,0,0,0,0,1|2,0,0]=3 44 B9R1.1 c1cc(ncc1Br)C=O LS20518 [0,0,0,0,0,1|2,0,0]=3 45 B9R1.1 c1cc(ncc1C=O)Br LS20544 [0,0,0,0,0,1|2,0,0]=3 46 B9R1.1 c1cc(ncc1C=O)Cl LS20242 [0,0,0,0,0,1|2,0,0]=3 47 B9R1.1 c1cc(ncc1Cl)C=O LS20775 [0,0,0,0,0,1|2,0,0]=3 48 B9R1.2 C=Cc1cccc(c1)Br LS11651 [0,0,0,0,0,1|3,0,0]=4 49 B9R1.2 C=Cc1cccc(c1)Cl LS11652 [0,0,0,0,0,1|3,0,0]=4 50 B9R1.2 C=Cc1cccc(c1)F LS11648 [0,0,0,0,0,1|3,0,0]=4 51 B9R1.2 Cc1cccc(c1)C=O LS11853 [0,0,0,0,0,1|1,0,0]=2 52 B9R1.2 Cc1cccc(c1)CBr LS11263 [0,0,0,0,0,1|2,0,1]=4 53 B9R1.2 Cc1cccc(c1)CCl LS11215 [0,0,0,0,0,1|2,0,1]=4 54 B9R1.2 Cc1cccc(c1)CN LS11219 [0,0,0,0,0,1|2,0,1]=4 55 B9R1.2 Cc1cccc(n1)CO LS20207 [0,0,0,0,0,1|1,0,2]=4 56 B9R1.2 c1c(cncc1Br)C=O LS20038 [0,0,0,0,0,1|2,0,0]=3 57 B9R1.2 c1cc(cc(c1)I)C=O LS10324 [0,0,0,0,0,1|2,0,0]=3 58 B9R1.2 c1cc(cc(c1)O)C=O LS10593 [0,0,0,0,0,1|2,0,0]=3 59 B9R1.2 c1cc(nc(c1)Cl)C=O LS20219 [0,0,0,0,0,1|2,0,0]=3 60 B6R1.2 Cc1[nH]ccn1 LS20670 [2,0,0,0,0,0|2,0,0]=4 61 B6R1.2 Cc1cc[nH]n1 LS20095 [2,0,0,0,0,0|2,0,0]=4 62 B6R1.2 Cc1cccs1 LS20640 [2,0,0,0,0,0|0,1,0]=3 63 B6R1.2 Cn1cccn1 LS20706 [2,0,0,0,0,0|2,0,0]=4 64 B6R1.2 c1cc(sc1)Br LS20644 [2,0,0,0,0,0|1,1,0]=4 65 B6R1.2 c1cc(sc1)Cl LS21132 [2,0,0,0,0,0|1,1,0]=4 66 B6R1.2 c1cc(sc1)S LS21100 [2,0,0,0,0,0|0,2,0]=4 67 B6R1.2 c1coc(=O)o1 LS40378 [2,0,0,0,0,0|1,0,0]=3 68 B8R1.7 B(c1ccco1)(O)O LS11074 [1,1,0,0,0,0|1,0,1]=4 69 B8R1.7 CC(=O)c1c[nH]cn1 LS20519 [1,1,0,0,0,0|2,0,0]=4 70 B8R1.7 CC(=O)c1cccs1 LS20643 [1,1,0,0,0,0|0,1,0]=3 71 B8R1.7 CC(=O)c1ccsc1 LS20391 [1,1,0,0,0,0|2,0,0]=4 72 B8R1.7 c1c(nc[nH]1)C(=O)O LS20993 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.7 c1c(nco1)C(=O)O LS41294 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.7 c1c(ncs1)C(=O)N LS21083 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.7 c1c(ncs1)C(=O)O LS21061 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.7 c1cc([nH]c1)C(=O)O LS20064 [1,1,0,0,0,0|1,0,0]=3 77 B8R1.7 c1cc(sc1)C(=O)Cl LS20650 [1,1,0,0,0,0|0,1,0]=3 78 B8R1.7 c1cc(sc1)C(=O)O LS20648 [1,1,0,0,0,0|0,1,0]=3 79 B8R1.7 c1cc(sc1)C(=O)[O-] LS21106 [1,1,0,0,0,0|0,1,0]=3 80 B8R1.7 c1cnc([nH]1)C(=O)O LS20563 [1,1,0,0,0,0|2,0,0]=4 81 B8R1.7 c1cnoc1C(=O)O LS20280 [1,1,0,0,0,0|1,0,0]=3 82 B8R1.7 c1conc1C(=O)O LS20146 [1,1,0,0,0,0|2,0,0]=4 83 B8R1.7 c1cscc1C(=O)Cl LS20651 [1,1,0,0,0,0|2,0,0]=4 84 B8R1.7 c1cscc1C(=O)O LS20647 [1,1,0,0,0,0|2,0,0]=4 85 B8R1.11 Cc1ccsc1C=O LS20658 [1,1,0,0,0,0|0,1,0]=3 86 B8R1.11 Cn1c(ccn1)C=O LS20046 [1,1,0,0,0,0|2,0,0]=4 87 B8R1.18 Cc1c(oc(n1)C)C LS20281 [1,1,0,0,0,0|1,0,1]=4 88 B8R1.50 CN1C(=O)C=CC1=O LS40580 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [0,1,0,0,0,1|2,0,0]=4 90 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [0,1,0,0,0,1|2,0,0]=4 93 B10R1.13 CC(=O)c1ccc(cn1)Br LS20859 [0,1,0,0,0,1|2,0,0]=4 94 B10R1.13 CC(=O)c1ccc(nc1)Br LS21178 [0,1,0,0,0,1|2,0,0]=4 95 B10R1.13 Cc1ccc(cn1)C(=O)O LS20541 [0,1,0,0,0,1|1,0,0]=3 96 B10R1.13 Cc1ncc(cn1)C(=O)C LS20101 [0,1,0,0,0,1|2,0,0]=4 97 B10R1.13 Cc1ncc(cn1)C(=O)O LS20220 [0,1,0,0,0,1|2,0,0]=4 98 B10R1.13 c1cc(ccc1C(=O)Cl)N LS11728 [0,1,0,0,0,1|2,0,0]=4 99 B10R1.13 c1cc(ccc1C(=O)O)Cl LS10674 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.13 c1cc(ncc1Br)C(=O)O LS20244 [0,1,0,0,0,1|2,0,0]=4 101 B10R1.13 c1cc(ncc1C(=O)O)Cl LS20664 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.13 c1cc(ncc1C(=O)O)N LS20730 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.13 c1cc(ncc1F)C(=O)O LS20092 [0,1,0,0,0,1|2,0,0]=4 104 B10R1.25 Cc1cc(ccc1C=O)F LS10500 [0,1,0,0,0,1|2,0,0]=4 105 B10R1.25 Cc1cc(ccc1C=O)O LS11394 [0,1,0,0,0,1|2,0,0]=4 106 B10R1.25 c1cc(c(cc1Br)F)C=O LS10657 [0,1,0,0,0,1|2,0,0]=4 107 B10R1.25 c1cc(c(cc1Br)O)C=O LS10088 [0,1,0,0,0,1|2,0,0]=4 108 B10R1.25 c1cc(c(cc1Cl)Br)C=O LS10197 [0,1,0,0,0,1|2,0,0]=4 109 B10R1.25 c1cc(c(cc1Cl)F)C=O LS10509 [0,1,0,0,0,1|2,0,0]=4 110 B10R1.25 c1cc(c(cc1Cl)O)C=O LS11382 [0,1,0,0,0,1|2,0,0]=4 111 B10R1.25 c1cc(c(cc1F)Br)C=O LS10393 [0,1,0,0,0,1|2,0,0]=4 112 B10R1.25 c1cc(c(cc1F)Cl)C=O LS11829 [0,1,0,0,0,1|2,0,0]=4 113 B10R1.25 c1cc(c(cc1F)O)C=O LS10219 [0,1,0,0,0,1|2,0,0]=4 114 B10R1.25 c1cc(c(cc1O)Cl)C=O LS11740 [0,1,0,0,0,1|2,0,0]=4 115 B10R1.176 Cc1ccc(cc1C)C=O LS11363 [0,1,0,0,0,1|1,0,0]=3 116 B10R1.176 c1cc(c(cc1C=O)Br)O LS10334 [0,1,0,0,0,1|2,0,0]=4 117 B10R1.176 c1cc(c(cc1C=O)Cl)F LS10516 [0,1,0,0,0,1|2,0,0]=4 118 B10R1.176 c1cc(c(cc1C=O)Cl)O LS11734 [0,1,0,0,0,1|2,0,0]=4 119 B10R1.176 c1cc(c(cc1C=O)F)O LS10506 [0,1,0,0,0,1|2,0,0]=4 120 B10R1.176 c1cc(c(cc1C=O)I)F LS10241 [0,1,0,0,0,1|2,0,0]=4 121 B10R1.176 c1cc(c(cc1C=O)O)Br LS10136 [0,1,0,0,0,1|2,0,0]=4 122 B10R1.176 c1cc(c(cc1C=O)O)O LS10200 [0,1,0,0,0,1|2,0,0]=4 123 B10R1.2 Cc1c(cccc1F)C=O LS10501 [0,1,0,0,0,1|2,0,0]=4 124 B10R1.2 Cc1cccc(c1F)C=O LS10502 [0,1,0,0,0,1|1,0,0]=3 125 B10R1.2 c1cc(c(c(c1)Br)F)C=O LS11298 [0,1,0,0,0,1|2,0,0]=4 126 B10R1.2 c1cc(c(c(c1)Cl)F)C=O LS10517 [0,1,0,0,0,1|2,0,0]=4 127 B10R1.2 c1cc(c(c(c1)Cl)O)C=O LS10135 [0,1,0,0,0,1|2,0,0]=4 128 B10R1.2 c1cc(c(c(c1)F)Br)C=O LS10514 [0,1,0,0,0,1|2,0,0]=4 129 B10R1.2 c1cc(c(c(c1)F)Cl)C=O LS10544 [0,1,0,0,0,1|2,0,0]=4 130 B10R1.2 c1cc(c(c(c1)F)F)C=O LS10508 [0,1,0,0,0,1|2,0,0]=4 131 B10R1.2 c1cc(c(c(c1)F)I)C=O LS10507 [0,1,0,0,0,1|2,0,0]=4 132 B10R1.2 c1cc(c(c(c1)F)O)C=O LS10305 [0,1,0,0,0,1|2,0,0]=4 133 B10R1.2 c1cc(c(c(c1)O)O)C=O LS10648 [0,1,0,0,0,1|2,0,0]=4 134 B10R1.8 Cc1cc(cc(c1)Cl)C=O LS10080 [0,1,0,0,0,1|1,0,0]=3 135 B10R1.8 c1c(cc(cc1Cl)Cl)C=O LS10376 [0,1,0,0,0,1|2,0,0]=4 136 B10R1.8 c1c(cc(cc1F)Br)C=O LS10512 [0,1,0,0,0,1|2,0,0]=4 137 B10R1.30 Cc1ccc(c(c1)C=O)Br LS10095 [0,1,0,0,0,1|1,0,0]=3 138 B10R1.30 c1c(cnc(c1C=O)F)Br LS20854 [0,1,0,0,0,1|2,0,0]=4 139 B10R1.30 c1cc(c(cc1Br)C=O)F LS10392 [0,1,0,0,0,1|2,0,0]=4 140 B10R1.30 c1cc(c(cc1Br)C=O)O LS10727 [0,1,0,0,0,1|2,0,0]=4 141 B10R1.30 c1cc(c(cc1Cl)C=O)N LS10227 [0,1,0,0,0,1|2,0,0]=4 142 B10R1.30 c1cc(c(cc1Cl)C=O)O LS11289 [0,1,0,0,0,1|2,0,0]=4 143 B10R1.30 c1cc(c(cc1F)C=O)Br LS10513 [0,1,0,0,0,1|2,0,0]=4 144 B10R1.30 c1cc(c(cc1F)C=O)O LS10505 [0,1,0,0,0,1|2,0,0]=4 145 B10R1.30 c1cc(c(cc1I)C=O)O LS11783 [0,1,0,0,0,1|2,0,0]=4 146 B10R1.30 c1cc(c(cc1O)C=O)F LS10101 [0,1,0,0,0,1|2,0,0]=4 147 B10R1.113 CC(=O)c1cccc(c1)N LS11527 [0,1,0,0,0,1|2,0,0]=4 148 B10R1.113 CC(=O)c1cccc(n1)Br LS20488 [0,1,0,0,0,1|2,0,0]=4 149 B10R1.113 Cc1ccnc(c1)C(=O)C LS21177 [0,1,0,0,0,1|1,0,0]=3 150 B10R1.113 c1c(cncc1Br)C(=O)O LS20729 [0,1,0,0,0,1|2,0,0]=4 151 B10R1.113 c1c(cncc1Cl)C(=O)O LS20728 [0,1,0,0,0,1|2,0,0]=4 152 B10R1.113 c1c(cncc1N)C(=O)O LS20110 [0,1,0,0,0,1|2,0,0]=4 153 B10R1.113 c1c(cncc1O)C(=O)O LS20727 [0,1,0,0,0,1|2,0,0]=4 154 B10R1.113 c1c(nc(cn1)Cl)C(=O)O LS20459 [0,1,0,0,0,1|2,0,0]=4 155 B10R1.113 c1cc(nc(c1)Br)C(=O)O LS20438 [0,1,0,0,0,1|2,0,0]=4 156 B10R1.113 c1cc(nc(c1)Cl)C(=O)O LS20264 [0,1,0,0,0,1|2,0,0]=4 157 B10R1.113 c1cnc(cc1C(=O)O)Br LS20245 [0,1,0,0,0,1|2,0,0]=4 158 B10R1.113 c1cnc(cc1C(=O)O)Cl LS20583 [0,1,0,0,0,1|2,0,0]=4 159 B10R1.113 c1cnc(cc1C(=O)O)F LS20410 [0,1,0,0,0,1|2,0,0]=4 160 B10R1.113 c1cnc(cc1C(=O)O)N LS20627 [0,1,0,0,0,1|2,0,0]=4 161 B10R1.113 c1cnc(cc1C(=O)O)O LS20483 [0,1,0,0,0,1|2,0,0]=4 162 B10R1.113 c1cnc(cc1Cl)C(=O)N LS20263 [0,1,0,0,0,1|2,0,0]=4 163 B10R1.113 c1cnc(nc1C(=O)O)Cl LS20776 [0,1,0,0,0,1|2,0,0]=4 164 B10R1.172 CCc1cccc(c1)C=O LS10374 [0,1,0,0,0,1|1,0,0]=3 165 B10R1.172 c1cc(cc(c1)C#N)C=O LS11367 [0,1,0,0,0,1|1,0,1]=4 166 B10R1.172 c1cc(cc(c1)C=O)C=O LS11856 [0,1,0,0,0,1|1,0,1]=4 167 B10R1.14 Cc1cnc(s1)C(=O)OC LS20100 [0,2,0,0,0,0|1,1,0]=4 168 B10R1.14 Cc1csc(n1)C(=O)OC LS40336 [0,2,0,0,0,0|2,0,0]=4 169 B10R1.31 B(c1ccc(o1)C=O)(O)O LS00105 [0,2,0,0,0,0|1,0,0]=3 170 B10R1.31 B(c1ccc(s1)C=O)(O)O LS11083 [0,2,0,0,0,0|1,1,0]=4 171 B10R1.58 Cc1cc(nn1C)C(=O)O LS20809 [0,2,0,0,0,0|2,0,0]=4 172 B10R1.55 Cc1ccc(o1)C(F)(F)F LS20462 [0,2,0,0,0,0|1,0,1]=4 173 B8R1.2 c1cc(cnc1)C=O LS20485 [0,0,1,1,0,0|2,0,0]=4 174 B8R1.2 c1ccc(cc1)C=O LS41490 [0,0,1,1,0,0|1,0,1]=4 175 B8R1.3 C1=CC(=O)C=CC1=O LS41078 [0,0,1,1,0,0|2,0,0]=4 176 B8R1.3 Cc1ccc(cc1)Cl LS11416 [0,0,1,1,0,0|2,0,0]=4 177 B8R1.3 Cc1ccc(cn1)Br LS20399 [0,0,1,1,0,0|2,0,0]=4 178 B8R1.3 c1cc(ccc1O)Br LS11445 [0,0,1,1,0,0|2,0,0]=4 179 B8R1.3 c1cc(ccc1O)F LS10647 [0,0,1,1,0,0|2,0,0]=4 180 B8R1.3 c1cc(ccc1O)I LS10366 [0,0,1,1,0,0|2,0,0]=4 181 B8R1.3 c1cc(ncc1O)F LS20343 [0,0,1,1,0,0|2,0,0]=4 182 B8R1.3 c1cc(ncc1O)N LS20718 [0,0,1,1,0,0|2,0,0]=4 183 B8R1.5 Cc1c(cccn1)O LS20321 [0,0,1,1,0,0|2,0,0]=4 184 B8R1.5 c1ccc(c(c1)O)Br LS11447 [0,0,1,1,0,0|1,0,1]=4 185 B8R1.5 c1ccc(c(c1)O)F LS10471 [0,0,1,1,0,0|1,0,1]=4 186 B8R1.5 c1ccc(c(c1)O)I LS00004 [0,0,1,1,0,0|1,0,1]=4 187 B8R1.5 c1ccn(c(=O)c1)O LS21131 [0,0,1,1,0,0|1,0,1]=4