0 B7R1.1 C=Cn1ccnc1 LS21038 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.1 CCc1[nH]ccn1 LS20052 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.1 c1c(nc[nH]1)C=O LS20992 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.1 c1c(nc[nH]1)CO LS20464 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.1 c1c(ncs1)C=O LS21128 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.1 c1c(ncs1)CCl LS21096 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 c1c(ncs1)CN LS21063 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.1 c1cc([nH]c1)C=O LS00119 [0,0,0,0,0,0|1,0,0]=1 8 B7R1.1 c1cc(sc1)C=O LS40350 [0,0,0,0,0,0|0,1,0]=1 9 B7R1.1 c1cc(sc1)CO LS20642 [0,0,0,0,0,0|0,1,2]=3 10 B7R1.1 c1cnc([nH]1)C=O LS20564 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.1 c1csc(n1)C=O LS20580 [0,0,0,0,0,0|1,1,0]=2 12 B7R1.1 c1csc(n1)CN LS21076 [0,0,0,0,0,0|2,1,1]=4 13 B7R1.1 c1cscc1C=O LS20646 [0,0,0,0,0,0|2,0,0]=2 14 B6R1.2 C1CC(=O)OC1 LS40356 [1,0,0,0,0,0|0,0,3]=4 15 B6R1.2 Cc1[nH]ccn1 LS20670 [1,0,0,0,0,0|2,0,1]=4 16 B6R1.2 Cc1cc[nH]n1 LS20095 [1,0,0,0,0,0|2,0,1]=4 17 B6R1.2 Cc1cccs1 LS20640 [1,0,0,0,0,0|0,1,1]=3 18 B6R1.2 Cn1cccn1 LS20706 [1,0,0,0,0,0|2,0,1]=4 19 B6R1.2 c1c(nc[nH]1)Br LS20192 [1,0,0,0,0,0|3,0,0]=4 20 B6R1.2 c1c(ncs1)Cl LS21055 [1,0,0,0,0,0|3,0,0]=4 21 B6R1.2 c1c[nH]nc1N LS20237 [1,0,0,0,0,0|3,0,0]=4 22 B6R1.2 c1cc(sc1)Br LS20644 [1,0,0,0,0,0|1,1,0]=3 23 B6R1.2 c1cc(sc1)Cl LS21132 [1,0,0,0,0,0|1,1,0]=3 24 B6R1.2 c1cc(sc1)S LS21100 [1,0,0,0,0,0|0,2,0]=3 25 B6R1.2 c1cnsc1N LS20872 [1,0,0,0,0,0|2,1,0]=4 26 B6R1.2 c1coc(=O)o1 LS40378 [1,0,0,0,0,0|1,0,0]=2 27 B6R1.2 c1cocc1Br LS20289 [1,0,0,0,0,0|3,0,0]=4 28 B6R1.2 c1conc1N LS20282 [1,0,0,0,0,0|3,0,0]=4 29 B6R1.2 c1cscc1Br LS20645 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.1 C1=CC(=O)O[C@@H]1CO LS30091 [0,1,0,0,0,0|0,0,3]=4 31 B8R1.1 Cc1ccc(s1)C=O LS20392 [0,1,0,0,0,0|0,1,0]=2 32 B8R1.1 c1c(coc1C=O)Br LS20868 [0,1,0,0,0,0|0,0,0]=1 33 B8R1.1 c1c(csc1C=O)Br LS20660 [0,1,0,0,0,0|0,1,0]=2 34 B8R1.1 c1cc(sc1CCl)Cl LS20823 [0,1,0,0,0,0|1,1,1]=4 35 B8R1.7 B(c1ccco1)(O)O LS11074 [0,1,0,0,0,0|1,0,1]=3 36 B8R1.7 B(c1cccs1)(O)O LS00104 [0,1,0,0,0,0|1,1,1]=4 37 B8R1.7 C1C=CCC1C(=O)O LS41644 [0,1,0,0,0,0|1,0,2]=4 38 B8R1.7 CC(=O)c1c[nH]cn1 LS20519 [0,1,0,0,0,0|2,0,0]=3 39 B8R1.7 CC(=O)c1cccs1 LS20643 [0,1,0,0,0,0|0,1,0]=2 40 B8R1.7 CC(=O)c1ccsc1 LS20391 [0,1,0,0,0,0|2,0,0]=3 41 B8R1.7 c1c(cn[nH]1)C(=O)O LS21130 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.7 c1c(con1)C(=O)O LS20144 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.7 c1c(nc[nH]1)C(=O)O LS20993 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.7 c1c(nco1)C(=O)O LS41294 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.7 c1c(ncs1)C(=O)N LS21083 [0,1,0,0,0,0|2,0,0]=3 46 B8R1.7 c1c(ncs1)C(=O)O LS21061 [0,1,0,0,0,0|2,0,0]=3 47 B8R1.7 c1c[nH]nc1[N+](=O)[O-] LS20161 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.7 c1cc([nH]c1)C(=O)O LS20064 [0,1,0,0,0,0|1,0,0]=2 49 B8R1.7 c1cc(sc1)C(=O)Cl LS20650 [0,1,0,0,0,0|0,1,0]=2 50 B8R1.7 c1cc(sc1)C(=O)O LS20648 [0,1,0,0,0,0|0,1,0]=2 51 B8R1.7 c1cc(sc1)C(=O)[O-] LS21106 [0,1,0,0,0,0|0,1,0]=2 52 B8R1.7 c1cnc([nH]1)C(=O)O LS20563 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.7 c1cnn(c1)C(=N)N LS41433 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.7 c1cnoc1C(=O)O LS20280 [0,1,0,0,0,0|1,0,0]=2 55 B8R1.7 c1conc1C(=O)O LS20146 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.7 c1cscc1C(=O)Cl LS20651 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.7 c1cscc1C(=O)O LS20647 [0,1,0,0,0,0|2,0,0]=3 58 B8R1.8 c1cc(sc1)CC#N LS21115 [0,1,0,0,0,0|1,1,1]=4 59 B8R1.8 c1cc(sc1)CCN LS21113 [0,1,0,0,0,0|1,1,1]=4 60 B8R1.8 c1cc(sc1)CCO LS21112 [0,1,0,0,0,0|0,1,2]=4 61 B8R1.11 Cc1ccsc1C=O LS20658 [0,1,0,0,0,0|0,1,0]=2 62 B8R1.11 Cn1c(ccn1)C=O LS20046 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.2 C#Cc1ccccc1 LS10701 [0,0,0,0,0,1|2,0,1]=4 64 B8R1.2 CNc1cccnc1 LS20470 [0,0,0,0,0,1|3,0,0]=4 65 B8R1.2 c1cc(cnc1)C=O LS20485 [0,0,0,0,0,1|1,0,0]=2 66 B8R1.2 c1ccc(cc1)C=O LS41490 [0,0,0,0,0,1|1,0,0]=2 67 B8R1.2 c1ccc(cc1)CO LS41488 [0,0,0,0,0,1|1,0,2]=4 68 B8R1.2 c1cnc(cn1)CN LS20127 [0,0,0,0,0,1|2,0,1]=4 69 B8R1.2 c1cnc(cn1)CN LS20128 [0,0,0,0,0,1|2,0,1]=4 70 B8R1.2 c1cnccc1C=O LS20943 [0,0,0,0,0,1|1,0,0]=2 71 B8R1.2 c1cnccc1CN LS20857 [0,0,0,0,0,1|2,0,1]=4 72 B8R1.2 c1cnccc1NN LS20045 [0,0,0,0,0,1|3,0,0]=4 73 B5R1.1 c1c[nH]nc1 LS21032 [2,0,0,0,0,0|2,0,0]=4 74 B5R1.1 c1cnoc1 LS21145 [2,0,0,0,0,0|1,0,0]=3 75 B5R1.1 c1cnsc1 LS21251 [2,0,0,0,0,0|1,1,0]=4 76 B7R1.2 Cc1cc(cs1)Br LS20656 [1,1,0,0,0,0|0,1,1]=4 77 B7R1.2 Cc1cc(no1)N LS21146 [1,1,0,0,0,0|1,0,1]=4 78 B7R1.2 Cc1ccc(s1)Br LS20655 [1,1,0,0,0,0|0,1,1]=4 79 B7R1.2 Cc1ccc(s1)C LS20641 [1,1,0,0,0,0|0,1,1]=4 80 B7R1.2 Cc1ccc(s1)Cl LS20653 [1,1,0,0,0,0|0,1,1]=4 81 B7R1.2 c1cc(sc1Br)Br LS20657 [1,1,0,0,0,0|1,1,0]=4 82 B7R1.4 Cc1ccsc1Br LS20654 [1,1,0,0,0,0|1,1,0]=4 83 B7R1.4 Cc1ccsc1Cl LS20652 [1,1,0,0,0,0|1,1,0]=4 84 B7R1.14 C1C=CS(=O)(=O)O1 LS40134 [1,1,0,0,0,0|1,0,1]=4 85 B9R1.1 C=Cc1ccc(cc1)Br LS11650 [0,1,0,0,0,1|2,0,0]=4 86 B9R1.1 C=Cc1ccc(cc1)Cl LS11649 [0,1,0,0,0,1|2,0,0]=4 87 B9R1.1 c1cc(ccc1C=O)Cl LS10198 [0,1,0,0,0,1|1,0,0]=3 88 B9R1.1 c1cc(ncc1Br)C=O LS20518 [0,1,0,0,0,1|1,0,0]=3 89 B9R1.1 c1cc(ncc1C=O)Br LS20544 [0,1,0,0,0,1|1,0,0]=3 90 B9R1.1 c1cc(ncc1C=O)Cl LS20242 [0,1,0,0,0,1|1,0,0]=3 91 B9R1.1 c1cc(ncc1Cl)C=O LS20775 [0,1,0,0,0,1|1,0,0]=3 92 B9R1.2 C=Cc1cccc(c1)Br LS11651 [0,1,0,0,0,1|2,0,0]=4 93 B9R1.2 C=Cc1cccc(c1)Cl LS11652 [0,1,0,0,0,1|2,0,0]=4 94 B9R1.2 C=Cc1cccc(c1)F LS11648 [0,1,0,0,0,1|2,0,0]=4 95 B9R1.2 Cc1cccc(c1)C=O LS11853 [0,1,0,0,0,1|1,0,0]=3 96 B9R1.2 c1c(cncc1Br)C=O LS20038 [0,1,0,0,0,1|1,0,0]=3 97 B9R1.2 c1cc(cc(c1)I)C=O LS10324 [0,1,0,0,0,1|1,0,0]=3 98 B9R1.2 c1cc(cc(c1)O)C=O LS10593 [0,1,0,0,0,1|1,0,0]=3 99 B9R1.2 c1cc(nc(c1)Cl)C=O LS20219 [0,1,0,0,0,1|1,0,0]=3 100 B9R1.6 CC(=O)c1cccnc1 LS20960 [0,1,0,0,0,1|1,0,0]=3 101 B9R1.6 c1cc(cnc1)C(=S)N LS40686 [0,1,0,0,0,1|1,1,0]=4 102 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [0,1,0,0,0,1|2,0,0]=4 103 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [0,1,0,0,0,1|1,0,0]=3 104 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [0,1,0,0,0,1|1,1,0]=4 105 B9R1.6 c1ccnc(c1)C(=N)N LS21180 [0,1,0,0,0,1|2,0,0]=4 106 B9R1.6 c1cnc(cn1)C(=O)O LS20078 [0,1,0,0,0,1|1,0,0]=3 107 B9R1.6 c1cnc(nc1)C(=O)O LS20267 [0,1,0,0,0,1|1,0,0]=3 108 B9R1.6 c1cncnc1C(=O)O LS20389 [0,1,0,0,0,1|1,0,0]=3 109 B9R1.8 c1cc(cnc1)CC=O LS21221 [0,1,0,0,0,1|1,0,0]=3 110 B9R1.15 C=Cc1ccccc1Br LS11653 [0,1,0,0,0,1|2,0,0]=4 111 B9R1.15 C=Cc1ccccc1Cl LS11654 [0,1,0,0,0,1|2,0,0]=4 112 B9R1.15 C=Cc1ccccc1F LS11647 [0,1,0,0,0,1|2,0,0]=4 113 B9R1.15 Cc1ccccc1C=O LS11852 [0,1,0,0,0,1|1,0,0]=3 114 B9R1.15 c1cc(c(nc1)C=O)O LS20166 [0,1,0,0,0,1|1,0,0]=3 115 B9R1.15 c1cc(c(nc1)Cl)C=O LS20395 [0,1,0,0,0,1|1,0,0]=3 116 B9R1.15 c1cc(c(nc1)N)C=O LS41434 [0,1,0,0,0,1|1,0,0]=3 117 B9R1.15 c1cc(c(nc1)O)C=O LS21175 [0,1,0,0,0,1|1,0,0]=3 118 B9R1.15 c1ccc(c(c1)C=O)N LS10114 [0,1,0,0,0,1|1,0,0]=3 119 B9R1.15 c1cncc(c1C=O)Br LS20109 [0,1,0,0,0,1|1,0,0]=3 120 B9R1.21 c1cc(oc1C=O)C=O LS20855 [0,2,0,0,0,0|0,0,0]=2 121 B9R1.35 B(c1ccc(o1)C)(O)O LS11076 [0,2,0,0,0,0|1,0,1]=4 122 B9R1.35 Cc1cc([nH]n1)C(=O)O LS20817 [0,2,0,0,0,0|2,0,0]=4 123 B9R1.35 Cc1cc(n[nH]1)C(=O)O LS20295 [0,2,0,0,0,0|2,0,0]=4 124 B9R1.35 Cc1ccc(s1)C(=O)O LS20662 [0,2,0,0,0,0|0,1,0]=3 125 B9R1.35 Cc1ncc(s1)C(=O)O LS21069 [0,2,0,0,0,0|1,1,0]=4 126 B9R1.35 Cc1nnc(o1)C(=O)[O-] LS40165 [0,2,0,0,0,0|2,0,0]=4 127 B9R1.35 c1c(csc1C(=O)O)Br LS20661 [0,2,0,0,0,0|0,1,0]=3 128 B9R1.35 c1c(nc(s1)Br)C(=O)N LS21070 [0,2,0,0,0,0|2,0,0]=4 129 B9R1.35 c1c(sc(n1)Br)C(=O)O LS21091 [0,2,0,0,0,0|1,1,0]=4 130 B9R1.35 c1cc(sc1C(=O)O)Br LS20297 [0,2,0,0,0,0|0,1,0]=3 131 B9R1.35 c1cc(sc1C(=O)O)Cl LS20472 [0,2,0,0,0,0|0,1,0]=3 132 B9R1.11 COC(=O)c1c[nH]cn1 LS20049 [0,2,0,0,0,0|2,0,0]=4 133 B9R1.11 COC(=O)c1ccc[nH]1 LS20248 [0,2,0,0,0,0|1,0,0]=3 134 B9R1.19 c1cc(sc1)S(=O)(=O)Cl LS20747 [0,2,0,0,0,0|1,1,0]=4 135 B9R1.19 c1cc(sc1)S(=O)(=O)N LS20748 [0,2,0,0,0,0|1,1,0]=4 136 B9R1.41 Cc1ccsc1C(=O)O LS20659 [0,2,0,0,0,0|0,1,0]=3 137 B9R1.41 Cn1c(ccn1)C(=O)O LS20083 [0,2,0,0,0,0|2,0,0]=4 138 B9R1.41 c1[nH]c(c(n1)C(=O)N)N LS20847 [0,2,0,0,0,0|2,0,0]=4 139 B9R1.41 c1[nH]c(c(n1)N)C(=O)N LS20482 [0,2,0,0,0,0|2,0,0]=4 140 B9R1.41 c1csc(c1Br)C(=O)O LS20750 [0,2,0,0,0,0|0,1,0]=3 141 B9R1.41 c1csc(c1C(=O)O)Br LS20833 [0,2,0,0,0,0|2,0,0]=4 142 B9R1.41 c1csc(c1Cl)C(=O)O LS20749 [0,2,0,0,0,0|0,1,0]=3 143 B9R1.41 c1nc(c(s1)Br)C(=O)O LS21078 [0,2,0,0,0,0|2,0,0]=4 144 B9R1.41 c1nc(c(s1)N)C(=O)N LS21194 [0,2,0,0,0,0|2,0,0]=4 145 B9R1.13 c1c(nc[nH]1)CC(=O)O LS20933 [0,2,0,0,0,0|2,0,0]=4 146 B9R1.13 c1cc(oc1)CC(=O)O LS40055 [0,2,0,0,0,0|0,0,0]=2 147 B9R1.13 c1cc(sc1)CC(=O)Cl LS21114 [0,2,0,0,0,0|0,1,0]=3 148 B9R1.13 c1cc(sc1)CC(=O)O LS20649 [0,2,0,0,0,0|0,1,0]=3 149 B7R1.3 c1cc(cnc1)Br LS20426 [0,0,1,1,0,0|2,0,0]=4 150 B7R1.3 c1cc(cnc1)F LS20779 [0,0,1,1,0,0|2,0,0]=4 151 B7R1.3 c1cnccc1O LS21099 [0,0,1,1,0,0|2,0,0]=4