0 B8R1.7 B(c1ccco1)(O)O LS11074 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.7 B(c1cccs1)(O)O LS00104 [0,0,0,0,0,0|2,1,1]=4 2 B8R1.7 C1C=CCC1C(=O)O LS41644 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.7 CC(=O)c1c[nH]cn1 LS20519 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.7 CC(=O)c1cccs1 LS20643 [0,0,0,0,0,0|0,1,0]=1 5 B8R1.7 CC(=O)c1ccsc1 LS20391 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.7 CC(C)c1c[nH]cn1 LS21206 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.7 c1c(cn[nH]1)C(=O)O LS21130 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.7 c1c(con1)C(=O)O LS20144 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.7 c1c(nc[nH]1)C(=O)O LS20993 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.7 c1c(nco1)C(=O)O LS41294 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.7 c1c(ncs1)C(=O)N LS21083 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.7 c1c(ncs1)C(=O)O LS21061 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.7 c1c[nH]nc1[N+](=O)[O-] LS20161 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.7 c1cc([nH]c1)C(=O)O LS20064 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.7 c1cc(sc1)C(=O)Cl LS20650 [0,0,0,0,0,0|1,1,0]=2 16 B8R1.7 c1cc(sc1)C(=O)O LS20648 [0,0,0,0,0,0|1,1,0]=2 17 B8R1.7 c1cc(sc1)C(=O)[O-] LS21106 [0,0,0,0,0,0|1,1,0]=2 18 B8R1.7 c1cnc([nH]1)C(=O)O LS20563 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.7 c1cnn(c1)C(=N)N LS41433 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.7 c1cnoc1C(=O)O LS20280 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.7 c1conc1C(=O)O LS20146 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.7 c1cscc1C(=O)Cl LS20651 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.7 c1cscc1C(=O)O LS20647 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.1 CCc1[nH]ccn1 LS20052 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.1 c1c(nc[nH]1)C=O LS20992 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.1 c1c(ncs1)C=O LS21128 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.1 c1cc([nH]c1)C=O LS00119 [1,0,0,0,0,0|1,0,0]=2 28 B7R1.1 c1cc(sc1)C=O LS40350 [1,0,0,0,0,0|0,1,0]=2 29 B7R1.1 c1cc(sc1)CO LS20642 [1,0,0,0,0,0|0,1,2]=4 30 B7R1.1 c1cnc([nH]1)C=O LS20564 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.1 c1csc(n1)C=O LS20580 [1,0,0,0,0,0|1,1,0]=3 32 B7R1.1 c1cscc1C=O LS20646 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.11 COC(=O)C1=CCCC1 LS20758 [0,1,0,0,0,0|1,0,2]=4 34 B9R1.11 COC(=O)c1c[nH]cn1 LS20049 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.11 COC(=O)c1ccc[nH]1 LS20248 [0,1,0,0,0,0|1,0,0]=2 36 B9R1.19 c1cc(sc1)S(=O)(=O)Cl LS20747 [0,1,0,0,0,0|2,1,0]=4 37 B9R1.19 c1cc(sc1)S(=O)(=O)N LS20748 [0,1,0,0,0,0|2,1,0]=4 38 B9R1.35 B(c1ccc(o1)C)(O)O LS11076 [0,1,0,0,0,0|2,0,1]=4 39 B9R1.35 Cc1cc([nH]n1)C(=O)O LS20817 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.35 Cc1cc(n[nH]1)C(=O)O LS20295 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.35 Cc1ccc(s1)C(=O)O LS20662 [0,1,0,0,0,0|1,1,0]=3 42 B9R1.35 Cc1ncc(s1)C(=O)O LS21069 [0,1,0,0,0,0|2,1,0]=4 43 B9R1.35 Cc1nnc(o1)C(=O)[O-] LS40165 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.35 c1c(csc1C(=O)O)Br LS20661 [0,1,0,0,0,0|1,1,0]=3 45 B9R1.35 c1c(nc(s1)Br)C(=O)N LS21070 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.35 c1c(sc(n1)Br)C(=O)O LS21091 [0,1,0,0,0,0|2,1,0]=4 47 B9R1.35 c1cc(sc1C(=O)O)Br LS20297 [0,1,0,0,0,0|1,1,0]=3 48 B9R1.35 c1cc(sc1C(=O)O)Cl LS20472 [0,1,0,0,0,0|1,1,0]=3 49 B9R1.41 Cc1ccsc1C(=O)O LS20659 [0,1,0,0,0,0|1,1,0]=3 50 B9R1.41 Cn1c(ccn1)C(=O)O LS20083 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.41 c1[nH]c(c(n1)C(=O)N)N LS20847 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.41 c1[nH]c(c(n1)N)C(=O)N LS20482 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.41 c1csc(c1Br)C(=O)O LS20750 [0,1,0,0,0,0|1,1,0]=3 54 B9R1.41 c1csc(c1C(=O)O)Br LS20833 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.41 c1csc(c1Cl)C(=O)O LS20749 [0,1,0,0,0,0|1,1,0]=3 56 B9R1.41 c1nc(c(s1)Br)C(=O)O LS21078 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.41 c1nc(c(s1)N)C(=O)N LS21194 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.4 CCC\C=C\C(=O)C LS41924 [0,0,1,0,0,0|1,0,2]=4 59 B9R1.6 CC(=O)c1cccnc1 LS20960 [0,0,0,0,0,1|1,0,0]=2 60 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [0,0,0,0,0,1|2,0,1]=4 61 B9R1.6 C[C@H](c1ccccc1)N LS30099 [0,0,0,0,0,1|2,0,1]=4 62 B9R1.6 c1cc(cnc1)C(=S)N LS40686 [0,0,0,0,0,1|2,1,0]=4 63 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [0,0,0,0,0,1|3,0,0]=4 64 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [0,0,0,0,0,1|2,0,0]=3 65 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [0,0,0,0,0,1|2,1,0]=4 66 B9R1.6 c1ccnc(c1)C(=N)N LS21180 [0,0,0,0,0,1|3,0,0]=4 67 B9R1.6 c1cnc(cn1)C(=O)O LS20078 [0,0,0,0,0,1|2,0,0]=3 68 B9R1.6 c1cnc(nc1)C(=O)O LS20267 [0,0,0,0,0,1|2,0,0]=3 69 B9R1.6 c1cncnc1C(=O)O LS20389 [0,0,0,0,0,1|2,0,0]=3 70 B9R1.13 c1c(nc[nH]1)CC(=O)O LS20933 [0,0,0,0,0,1|3,0,0]=4 71 B9R1.13 c1cc(oc1)CC(=O)O LS40055 [0,0,0,0,0,1|1,0,0]=2 72 B9R1.13 c1cc(sc1)CC(=O)Cl LS21114 [0,0,0,0,0,1|1,1,0]=3 73 B9R1.13 c1cc(sc1)CC(=O)O LS20649 [0,0,0,0,0,1|1,1,0]=3 74 B6R1.2 Cc1[nH]ccn1 LS20670 [2,0,0,0,0,0|2,0,0]=4 75 B6R1.2 Cc1cc[nH]n1 LS20095 [2,0,0,0,0,0|2,0,0]=4 76 B6R1.2 Cc1cccs1 LS20640 [2,0,0,0,0,0|0,1,0]=3 77 B6R1.2 Cn1cccn1 LS20706 [2,0,0,0,0,0|2,0,0]=4 78 B6R1.2 c1cc(sc1)Br LS20644 [2,0,0,0,0,0|1,1,0]=4 79 B6R1.2 c1cc(sc1)Cl LS21132 [2,0,0,0,0,0|1,1,0]=4 80 B6R1.2 c1cc(sc1)S LS21100 [2,0,0,0,0,0|0,2,0]=4 81 B6R1.2 c1coc(=O)o1 LS40378 [2,0,0,0,0,0|1,0,0]=3 82 B8R1.1 Cc1ccc(s1)C=O LS20392 [1,1,0,0,0,0|0,1,0]=3 83 B8R1.1 c1c(coc1C=O)Br LS20868 [1,1,0,0,0,0|0,0,0]=2 84 B8R1.1 c1c(csc1C=O)Br LS20660 [1,1,0,0,0,0|0,1,0]=3 85 B8R1.8 c1cc(sc1)CCN LS21113 [1,1,0,0,0,0|0,1,1]=4 86 B8R1.8 c1cc(sc1)CCO LS21112 [1,1,0,0,0,0|0,1,1]=4 87 B8R1.11 Cc1ccsc1C=O LS20658 [1,1,0,0,0,0|0,1,0]=3 88 B8R1.11 Cn1c(ccn1)C=O LS20046 [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|1,0,0]=3 90 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [0,1,0,0,0,1|1,0,0]=3 91 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [0,1,0,0,0,1|1,0,0]=3 92 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [0,1,0,0,0,1|1,0,0]=3 93 B10R1.13 CC(=O)c1ccc(cn1)Br LS20859 [0,1,0,0,0,1|1,0,0]=3 94 B10R1.13 CC(=O)c1ccc(nc1)Br LS21178 [0,1,0,0,0,1|1,0,0]=3 95 B10R1.13 Cc1ccc(cn1)C(=O)O LS20541 [0,1,0,0,0,1|2,0,0]=4 96 B10R1.13 Cc1ncc(cn1)C(=O)C LS20101 [0,1,0,0,0,1|2,0,0]=4 97 B10R1.13 c1c(ncc(n1)Cl)C(=O)O LS20205 [0,1,0,0,0,1|2,0,0]=4 98 B10R1.13 c1c(ncc(n1)O)C(=O)O LS20206 [0,1,0,0,0,1|2,0,0]=4 99 B10R1.13 c1cc(ccc1C(=O)Cl)N LS11728 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.13 c1cc(ccc1C(=O)O)Cl LS10674 [0,1,0,0,0,1|2,0,0]=4 101 B10R1.13 c1cc(ncc1Br)C(=O)O LS20244 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.13 c1cc(ncc1C(=O)O)Cl LS20664 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.13 c1cc(ncc1C(=O)O)N LS20730 [0,1,0,0,0,1|2,0,0]=4 104 B10R1.13 c1cc(ncc1F)C(=O)O LS20092 [0,1,0,0,0,1|2,0,0]=4 105 B10R1.15 COC(=O)c1cccnc1 LS20584 [0,1,0,0,0,1|1,0,0]=3 106 B10R1.15 c1ccc(cc1)C(=O)CBr LS11352 [0,1,0,0,0,1|1,0,0]=3 107 B10R1.15 c1ccc(cc1)C(=O)CCl LS11677 [0,1,0,0,0,1|1,0,0]=3 108 B10R1.15 c1ccc(cc1)C(=O)CO LS10613 [0,1,0,0,0,1|1,0,0]=3 109 B10R1.61 CC(=O)c1ccccc1N LS10731 [0,1,0,0,0,1|1,0,0]=3 110 B10R1.61 CC(=O)c1ccccc1O LS10607 [0,1,0,0,0,1|1,0,0]=3 111 B10R1.61 CC(=O)c1cccnc1Cl LS20570 [0,1,0,0,0,1|1,0,0]=3 112 B10R1.61 Cc1c(cccn1)C(=O)N LS20770 [0,1,0,0,0,1|2,0,0]=4 113 B10R1.61 Cc1c(cccn1)C(=O)O LS20435 [0,1,0,0,0,1|2,0,0]=4 114 B10R1.61 Cc1ccccc1C(=O)O LS10119 [0,1,0,0,0,1|2,0,0]=4 115 B10R1.61 Cc1cccnc1C(=O)O LS20983 [0,1,0,0,0,1|2,0,0]=4 116 B10R1.61 c1cc(c(nc1)Br)C(=O)O LS20396 [0,1,0,0,0,1|2,0,0]=4 117 B10R1.61 c1cc(c(nc1)C(=O)O)F LS20394 [0,1,0,0,0,1|2,0,0]=4 118 B10R1.61 c1cc(c(nc1)C(=O)O)N LS00020 [0,1,0,0,0,1|2,0,0]=4 119 B10R1.61 c1cc(c(nc1)Cl)C(=O)O LS20665 [0,1,0,0,0,1|2,0,0]=4 120 B10R1.61 c1cc(c(nc1)N)C(=O)O LS20530 [0,1,0,0,0,1|2,0,0]=4 121 B10R1.61 c1cc(c(nc1)O)C(=O)O LS20423 [0,1,0,0,0,1|2,0,0]=4 122 B10R1.61 c1cc(c(nc1)S)C(=O)O LS20725 [0,1,0,0,0,1|2,0,0]=4 123 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [0,1,0,0,0,1|2,0,0]=4 124 B10R1.61 c1ccc(c(c1)C(=O)O)Br LS10336 [0,1,0,0,0,1|2,0,0]=4 125 B10R1.61 c1ccc(c(c1)C(=O)O)Cl LS10675 [0,1,0,0,0,1|2,0,0]=4 126 B10R1.61 c1ccc(c(c1)C(=O)O)I LS00003 [0,1,0,0,0,1|2,0,0]=4 127 B10R1.61 c1cnc(c(n1)C(=O)O)O LS20287 [0,1,0,0,0,1|2,0,0]=4 128 B10R1.61 c1cncc(c1C(=O)O)Br LS20726 [0,1,0,0,0,1|2,0,0]=4 129 B10R1.61 c1cncc(c1C(=O)O)F LS20409 [0,1,0,0,0,1|2,0,0]=4 130 B10R1.61 c1cncc(c1C(=O)O)N LS20439 [0,1,0,0,0,1|2,0,0]=4 131 B10R1.61 c1cncc(c1C(=O)O)O LS20035 [0,1,0,0,0,1|2,0,0]=4 132 B10R1.61 c1cncc(c1Cl)C(=O)O LS20834 [0,1,0,0,0,1|2,0,0]=4 133 B10R1.113 CC(=O)c1cccc(c1)N LS11527 [0,1,0,0,0,1|1,0,0]=3 134 B10R1.113 CC(=O)c1cccc(n1)Br LS20488 [0,1,0,0,0,1|1,0,0]=3 135 B10R1.113 Cc1ccnc(c1)C(=O)C LS21177 [0,1,0,0,0,1|1,0,0]=3 136 B10R1.113 c1c(cncc1Br)C(=O)O LS20729 [0,1,0,0,0,1|2,0,0]=4 137 B10R1.113 c1c(cncc1Cl)C(=O)O LS20728 [0,1,0,0,0,1|2,0,0]=4 138 B10R1.113 c1c(cncc1N)C(=O)O LS20110 [0,1,0,0,0,1|2,0,0]=4 139 B10R1.113 c1c(cncc1O)C(=O)O LS20727 [0,1,0,0,0,1|2,0,0]=4 140 B10R1.113 c1c(nc(cn1)Cl)C(=O)O LS20459 [0,1,0,0,0,1|2,0,0]=4 141 B10R1.113 c1c(ncnc1O)C(=O)O LS20104 [0,1,0,0,0,1|2,0,0]=4 142 B10R1.113 c1cc(nc(c1)Br)C(=O)O LS20438 [0,1,0,0,0,1|2,0,0]=4 143 B10R1.113 c1cc(nc(c1)Cl)C(=O)O LS20264 [0,1,0,0,0,1|2,0,0]=4 144 B10R1.113 c1cnc(cc1C(=O)O)Br LS20245 [0,1,0,0,0,1|2,0,0]=4 145 B10R1.113 c1cnc(cc1C(=O)O)Cl LS20583 [0,1,0,0,0,1|2,0,0]=4 146 B10R1.113 c1cnc(cc1C(=O)O)F LS20410 [0,1,0,0,0,1|2,0,0]=4 147 B10R1.113 c1cnc(cc1C(=O)O)N LS20627 [0,1,0,0,0,1|2,0,0]=4 148 B10R1.113 c1cnc(cc1C(=O)O)O LS20483 [0,1,0,0,0,1|2,0,0]=4 149 B10R1.113 c1cnc(cc1Cl)C(=O)N LS20263 [0,1,0,0,0,1|2,0,0]=4 150 B10R1.113 c1cnc(nc1C(=O)O)Cl LS20776 [0,1,0,0,0,1|2,0,0]=4 151 B10R1.11 CCOC(=O)c1[nH]ccn1 LS20562 [0,2,0,0,0,0|2,0,0]=4 152 B10R1.11 CCOC(=O)c1ccc[nH]1 LS20212 [0,2,0,0,0,0|1,0,0]=3 153 B10R1.11 CCOC(=O)c1cocn1 LS20054 [0,2,0,0,0,0|2,0,0]=4 154 B10R1.14 COC(=O)c1cc(c[nH]1)Br LS20815 [0,2,0,0,0,0|1,0,0]=3 155 B10R1.14 COC(=O)c1cnc(s1)Br LS20024 [0,2,0,0,0,0|1,1,0]=4 156 B10R1.14 Cc1cnc(s1)C(=O)OC LS20100 [0,2,0,0,0,0|1,1,0]=4 157 B10R1.14 Cc1csc(n1)C(=O)OC LS40336 [0,2,0,0,0,0|1,1,0]=4 158 B10R1.149 COC(=O)c1c(ccs1)F LS20067 [0,2,0,0,0,0|0,1,0]=3 159 B10R1.149 Cc1c(ccs1)C(=O)OC LS20060 [0,2,0,0,0,0|2,0,0]=4 160 B10R1.149 Cn1cncc1C(=O)OC LS20172 [0,2,0,0,0,0|2,0,0]=4 161 B8R1.4 Cc1cccc(n1)Br LS20561 [0,0,1,1,0,0|2,0,0]=4 162 B8R1.4 Cc1cccc(n1)Cl LS20527 [0,0,1,1,0,0|2,0,0]=4 163 B8R1.4 Cc1ccnc(n1)O LS20077 [0,0,1,1,0,0|2,0,0]=4 164 B8R1.4 c1cc(cc(c1)F)O LS11397 [0,0,1,1,0,0|1,0,1]=4 165 B8R1.4 c1cc(cc(c1)S)O LS11830 [0,0,1,1,0,0|0,1,1]=4 166 B8R1.4 c1cc(nc(c1)Cl)O LS20221 [0,0,1,1,0,0|2,0,0]=4 167 B8R1.5 Cc1c(cccn1)Br LS20529 [0,0,1,1,0,0|2,0,0]=4 168 B8R1.5 Cc1c(cccn1)F LS00100 [0,0,1,1,0,0|2,0,0]=4 169 B8R1.5 Cc1c(cccn1)O LS20321 [0,0,1,1,0,0|1,0,0]=3 170 B8R1.5 Cc1ccccc1Cl LS11417 [0,0,1,1,0,0|2,0,0]=4 171 B8R1.5 Cc1cccnc1O LS20286 [0,0,1,1,0,0|2,0,0]=4 172 B8R1.5 c1ccc(c(c1)O)Br LS11447 [0,0,1,1,0,0|1,0,1]=4 173 B8R1.5 c1ccc(c(c1)O)F LS10471 [0,0,1,1,0,0|1,0,1]=4 174 B8R1.5 c1ccc(c(c1)O)I LS00004 [0,0,1,1,0,0|1,0,1]=4 175 B8R1.5 c1ccn(c(=O)c1)O LS21131 [0,0,1,1,0,0|1,0,1]=4 176 B8R1.2 CNc1cccnc1 LS20470 [1,0,0,0,0,1|2,0,0]=4 177 B8R1.2 c1cc(cnc1)C=O LS20485 [1,0,0,0,0,1|1,0,0]=3 178 B8R1.2 c1ccc(cc1)C=O LS41490 [1,0,0,0,0,1|1,0,0]=3 179 B8R1.2 c1cnccc1C=O LS20943 [1,0,0,0,0,1|1,0,0]=3 180 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [0,0,0,0,0,2|1,0,0]=3 181 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [0,0,0,0,0,2|2,0,0]=4 182 B10R1.66 c1cc(sc1)\C=C\C(=O)O LS20822 [0,0,0,0,0,2|1,1,0]=4