0 B10R1.113 CC(=O)c1cccc(c1)N LS11527 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.113 CC(=O)c1cccc(n1)Br LS20488 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.113 Cc1ccnc(c1)C(=O)C LS21177 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.113 c1c(nc(cn1)Cl)C(=O)O LS20459 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.113 c1c(ncnc1O)C(=O)O LS20104 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.113 c1cc(nc(c1)Br)C(=O)O LS20438 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.113 c1cc(nc(c1)Cl)C(=O)O LS20264 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.113 c1cnc(cc1C(=O)O)Br LS20245 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.113 c1cnc(cc1C(=O)O)Cl LS20583 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.113 c1cnc(cc1C(=O)O)F LS20410 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.113 c1cnc(cc1C(=O)O)N LS20627 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.113 c1cnc(cc1C(=O)O)O LS20483 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.113 c1cnc(cc1[N+](=O)[O-])Cl LS20004 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.113 c1cnc(nc1C(=O)O)Cl LS20776 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.2 COc1cccc(n1)Cl LS20709 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.2 COc1cccc(n1)N LS20232 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.2 Cc1cccc(c1)C=O LS11853 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.2 Cc1cccc(n1)CO LS20207 [1,0,0,0,0,0|1,0,2]=4 18 B9R1.2 c1cc(cc(c1)I)C=O LS10324 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.2 c1cc(cc(c1)O)C=O LS10593 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.2 c1cc(nc(c1)Cl)C=O LS20219 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.6 B(c1ccncn1)(O)O LS11623 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.6 CC(=O)c1cccnc1 LS20960 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.6 c1ccnc(c1)C(=N)N LS21180 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.6 c1cnc(cn1)C(=O)O LS20078 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.6 c1cnc(nc1)C(=O)O LS20267 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.6 c1cncnc1C(=O)O LS20389 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.23 CCC(=O)c1cccc(c1)Cl LS41311 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.23 COC(=O)c1ccnc(c1)Br LS20070 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl LS10356 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.74 CC(=O)c1cc(cc(c1)F)F LS11171 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.74 Cc1cc(cc(c1)N)C(=O)O LS10247 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.159 CC(=O)c1cccc(c1F)Br LS10318 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.159 Cc1cccc(c1C)C(=O)O LS11825 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.159 Cc1cccc(c1I)C(=O)O LS10145 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.159 Cc1cccc(c1N)C(=O)O LS11462 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.167 CC(=O)c1cc(ccc1Br)Cl LS11579 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.167 CC(=O)c1cc(ccc1Br)F LS10365 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.167 CC(=O)c1cc(ccc1F)Br LS10106 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.167 CC(=O)c1cc(ccc1I)F LS10113 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.167 CC(=O)c1cc(ccc1O)O LS11715 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.167 Cc1ccc(c(c1)C(=O)O)I LS10696 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.167 c1c(c(cnc1F)F)C(=O)O LS20887 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.167 c1cc(nc(c1F)C(=O)O)Cl LS20461 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.266 COc1cccc(c1)C(=O)O LS11528 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.266 c1cc(cc(c1)C(=O)Cl)CCl LS10105 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.35 Cc1cc([nH]n1)C(=O)O LS20817 [0,0,0,0,1,0|3,0,0]=4 48 B9R1.35 Cc1ccc(s1)C(=O)O LS20662 [0,0,0,0,1,0|2,0,0]=3 49 B9R1.35 Cc1ncc(s1)C(=O)O LS21069 [0,0,0,0,1,0|2,0,0]=3 50 B9R1.35 Cc1nnc(o1)C(=O)[O-] LS40165 [0,0,0,0,1,0|3,0,0]=4 51 B9R1.35 c1c(nc(s1)Br)C(=O)N LS21070 [0,0,0,0,1,0|3,0,0]=4 52 B9R1.35 c1c(sc(n1)Br)C(=O)O LS21091 [0,0,0,0,1,0|3,0,0]=4 53 B9R1.35 c1cc(sc1C(=O)O)Br LS20297 [0,0,0,0,1,0|3,0,0]=4 54 B9R1.35 c1cc(sc1C(=O)O)Cl LS20472 [0,0,0,0,1,0|3,0,0]=4 55 B9R1.41 Cc1c(con1)C(=O)O LS20143 [0,0,0,0,1,0|2,0,0]=3 56 B9R1.41 Cc1ccsc1C(=O)O LS20659 [0,0,0,0,1,0|3,0,0]=4 57 B9R1.41 Cn1c(ccn1)C(=O)O LS20083 [0,0,0,0,1,0|2,0,0]=3 58 B9R1.41 c1[nH]c(c(n1)N)C(=O)N LS20482 [0,0,0,0,1,0|3,0,0]=4 59 B9R1.41 c1csc(c1C(=O)O)Br LS20833 [0,0,0,0,1,0|3,0,0]=4 60 B11R1.157 CC(=O)Cc1cccc(c1)Br LS11254 [0,0,0,0,0,1|3,0,0]=4 61 B11R1.157 CC(=O)Cc1cccc(c1)Cl LS11257 [0,0,0,0,0,1|3,0,0]=4 62 B11R1.157 CC(=O)Nc1cccc(n1)N LS20129 [0,0,0,0,0,1|2,0,0]=3 63 B11R1.157 CC(=O)Nc1ccnc(=O)[nH]1 LS40107 [0,0,0,0,0,1|1,0,1]=3 64 B8R1.2 c1ccc(cc1)C=O LS41490 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.2 c1cnccc1C=O LS20943 [2,0,0,0,0,0|1,0,0]=3 66 B8R1.4 Cc1cccc(n1)Br LS20561 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.4 Cc1cccc(n1)Cl LS20527 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.4 Cc1ccnc(c1)Br LS20539 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.4 Cc1ccnc(c1)Cl LS20535 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.4 Cc1ccnc(c1)F LS20532 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.4 Cc1ccnc(n1)Cl LS20314 [2,0,0,0,0,0|1,0,0]=3 72 B8R1.4 Cc1ccnc(n1)O LS20077 [2,0,0,0,0,0|1,0,0]=3 73 B8R1.4 Cc1nccc(n1)Cl LS20043 [2,0,0,0,0,0|1,0,0]=3 74 B8R1.4 c1cnc(nc1Cl)Cl LS20619 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.2 Cc1cccc(c1F)C=O LS10502 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.8 Cc1cc(cc(c1)Cl)C=O LS10080 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.30 Cc1ccc(c(c1)C=O)Br LS10095 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.30 Cc1ccc(c(n1)OC)Br LS20277 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.172 CCc1cccc(c1)C=O LS10374 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.172 CCc1cccc(n1)CC LS21232 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.176 Cc1c(ccc(n1)OC)Br LS20326 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.176 Cc1c(ccc(n1)OC)F LS20325 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.176 Cc1c(ccc(n1)OC)N LS20506 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.176 Cc1c(ccc(n1)OC)N LS20740 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.176 Cc1ccc(cc1C)C=O LS11363 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.13 CC(=O)c1ccc(cn1)Br LS20859 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.13 c1cc(ncc1Br)C(=O)O LS20244 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.13 c1cc(ncc1F)C(=O)O LS20092 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.15 c1ccc(cc1)C(=O)CBr LS11352 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.15 c1ccc(cc1)C(=O)CCl LS11677 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.15 c1ccc(cc1)C(=O)CO LS10613 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.61 CC(=O)c1ccccc1N LS10731 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.61 CC(=O)c1ccccc1O LS10607 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.61 Cc1cccnc1C(=O)O LS20983 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.61 c1cc(c(nc1)C(=O)O)F LS20394 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.61 c1cc(c(nc1)C(=O)O)N LS00020 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.61 c1cncc(c1C(=O)O)Br LS20726 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.61 c1cncc(c1C(=O)O)F LS20409 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.61 c1cncc(c1C(=O)O)N LS20439 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.61 c1cncc(c1C(=O)O)O LS20035 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.14 COC(=O)c1cnc(s1)Br LS20024 [0,1,0,0,1,0|2,0,0]=4 106 B10R1.14 Cc1cnc(s1)C(=O)OC LS20100 [0,1,0,0,1,0|2,0,0]=4 107 B10R1.14 Cc1csc(n1)C(=O)OC LS40336 [0,1,0,0,1,0|1,0,0]=3 108 B10R1.14 Cn1cnc(n1)C(=O)OC LS20102 [0,1,0,0,1,0|2,0,0]=4 109 B10R1.58 Cc1cc(nn1C)C(=O)O LS20809 [0,1,0,0,1,0|2,0,0]=4 110 B10R1.149 Cc1c(ccs1)C(=O)OC LS20060 [0,1,0,0,1,0|1,0,0]=3 111 B10R1.192 Cn1c(c(cn1)Br)C(=O)O LS40471 [0,1,0,0,1,0|2,0,0]=4 112 B12R1.17 CCOC(=O)c1cccc(n1)N LS20771 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.17 CCOC(=O)c1ccnc(c1)Br LS20069 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.17 Cc1cccc(n1)C(=O)CC#N LS20099 [0,2,0,0,0,0|1,0,0]=3 115 B12R1.354 Cc1ccc(c(c1)C(=O)OC)I LS10697 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.358 Cc1cc(cc(n1)Cl)C(=O)OC LS20027 [0,2,0,0,0,0|1,0,0]=3 117 B12R2.606 c1cc(nc2c1CC(=O)N2)Cl LS40092 [0,0,0,1,0,1|2,0,0]=4 118 B8R1.1 Cc1ccc(s1)C=O LS20392 [1,0,0,0,1,0|1,0,0]=3 119 B8R1.11 Cc1ccsc1C=O LS20658 [1,0,0,0,1,0|2,0,0]=4 120 B8R1.11 Cn1c(ccn1)C=O LS20046 [1,0,0,0,1,0|1,0,0]=3 121 B8R1.7 CC(=O)c1c[nH]cn1 LS20519 [1,0,0,0,1,0|0,0,1]=3 122 B8R1.7 CC(=O)c1cccs1 LS20643 [1,0,0,0,1,0|1,0,0]=3 123 B8R1.7 CC(=O)c1ccsc1 LS20391 [1,0,0,0,1,0|1,0,0]=3 124 B8R1.7 c1c(cn[nH]1)C(=O)O LS21130 [1,0,0,0,1,0|2,0,0]=4 125 B8R1.7 c1c(con1)C(=O)O LS20144 [1,0,0,0,1,0|2,0,0]=4 126 B8R1.7 c1c(nc[nH]1)C(=O)O LS20993 [1,0,0,0,1,0|1,0,1]=4 127 B8R1.7 c1c(nco1)C(=O)O LS41294 [1,0,0,0,1,0|2,0,0]=4 128 B8R1.7 c1c(ncs1)C(=O)N LS21083 [1,0,0,0,1,0|2,0,0]=4 129 B8R1.7 c1c(ncs1)C(=O)O LS21061 [1,0,0,0,1,0|2,0,0]=4 130 B8R1.7 c1cc([nH]c1)C(=O)O LS20064 [1,0,0,0,1,0|1,0,1]=4 131 B8R1.7 c1cc(sc1)C(=O)Cl LS20650 [1,0,0,0,1,0|2,0,0]=4 132 B8R1.7 c1cc(sc1)C(=O)O LS20648 [1,0,0,0,1,0|2,0,0]=4 133 B8R1.7 c1cc(sc1)C(=O)[O-] LS21106 [1,0,0,0,1,0|2,0,0]=4 134 B8R1.7 c1cnc([nH]1)C(=O)O LS20563 [1,0,0,0,1,0|2,0,0]=4 135 B8R1.7 c1cnoc1C(=O)O LS20280 [1,0,0,0,1,0|2,0,0]=4 136 B8R1.7 c1conc1C(=O)O LS20146 [1,0,0,0,1,0|2,0,0]=4 137 B8R1.7 c1cscc1C(=O)Cl LS20651 [1,0,0,0,1,0|2,0,0]=4 138 B8R1.7 c1cscc1C(=O)O LS20647 [1,0,0,0,1,0|2,0,0]=4 139 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [1,0,0,0,0,1|1,0,0]=3