0 B10R1.15 CC(CN)c1ccccc1 LS10637 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 CC(CN)c1ccccc1 LS10638 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 CC[C@@H](c1ccccc1)N LS30125 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.15 CC[C@H](c1ccccc1)N LS30175 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.15 COC(=O)c1cccnc1 LS20584 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 C[C@@H](CN)c1ccccc1 LS30174 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.15 C[C@H](CN)c1ccccc1 LS30173 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.15 c1ccc(cc1)C(=O)CBr LS11352 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.15 c1ccc(cc1)C(=O)CCl LS11677 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.15 c1ccc(cc1)C(=O)CO LS10613 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.15 c1ccc(cc1)[C@@H](CO)N LS30212 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.15 c1ccc(cc1)[C@@H](CO)O LS30263 [0,0,0,0,0,0|1,0,2]=3 12 B10R1.15 c1ccc(cc1)[C@H](CO)N LS30213 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.15 c1ccc(cc1)[C@H](CO)O LS30264 [0,0,0,0,0,0|1,0,2]=3 14 B9R1.6 B(c1ccccc1)(O)O LS00011 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.6 CC(=O)c1cccnc1 LS20960 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.6 C[C@H](c1ccccc1)N LS30099 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.6 c1cc(cnc1)C(=S)N LS40686 [1,0,0,0,0,0|2,1,0]=4 19 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [1,0,0,0,0,0|1,1,0]=3 22 B9R1.6 c1ccnc(c1)C(=N)N LS21180 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.6 c1cnc(cn1)C(=O)O LS20078 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.6 c1cnc(nc1)C(=O)O LS20267 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.6 c1cncnc1C(=O)O LS20389 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.8 CNNc1ccccc1 LS10173 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 c1ccc(cc1)CCN LS10634 [1,0,0,0,0,0|1,0,1]=3 28 B9R1.8 c1ccc(cc1)CCN LS10635 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.8 c1ccc(cc1)CNO LS11836 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.8 c1ccc(cc1)CNO LS40338 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 c1ccc(cc1)CON LS40003 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 c1ccc(cc1)[Se]C#N LS11775 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.8 c1cnccc1CCN LS21103 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.7 C=CS(=O)(=O)c1ccccc1 LS11432 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.12 CN[C@@H](CO)c1ccccc1 LS30211 [0,1,0,0,0,0|1,0,2]=4 36 B11R1.12 CN[C@H](CO)c1ccccc1 LS30210 [0,1,0,0,0,0|1,0,2]=4 37 B11R1.16 CCOC(=O)c1cccnc1 LS00014 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O LS30119 [0,1,0,0,0,0|0,0,2]=3 39 B11R1.22 COC(=O)c1ccc(nc1)Cl LS20217 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.22 COC(=O)c1ccc(nc1)N LS20441 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.22 COC(=O)c1cnc(nc1)Cl LS20786 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.22 Cc1ccc(cn1)C(=O)OC LS20731 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.22 c1cc(ccc1C(=O)CN)Br LS11597 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.22 c1cc(ccc1C(=O)NN)Cl LS11767 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.22 c1cc(ccc1C(CN)O)O LS41256 [0,1,0,0,0,0|1,0,2]=4 46 B11R1.23 CCC(=O)c1cccc(c1)Cl LS41311 [0,1,0,0,0,0|0,0,0]=1 47 B11R1.23 CNC(=O)c1cc(ccn1)Cl LS21026 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.23 COC(=O)c1cc(ccn1)Cl LS20268 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.23 COC(=O)c1cc(cnc1)Br LS20201 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.23 COC(=O)c1ccnc(c1)Br LS20070 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl LS10356 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.36 CC(C)[C@H](c1ccccc1)O LS30202 [0,1,0,0,0,0|0,0,2]=3 53 B11R1.222 CCC(=O)c1ccccc1Cl LS11338 [0,1,0,0,0,0|0,0,0]=1 54 B11R1.222 CNC(=O)c1ccccc1N LS11490 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.222 COC(=O)c1ccccc1Cl LS10628 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.222 COC(=O)c1cccnc1N LS20032 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.222 Cc1ccccc1C(=O)CBr LS11319 [0,1,0,0,0,0|1,0,0]=2 58 B11R2.1 c1cc2c(nc1)COC2=O LS41441 [0,0,0,1,0,0|2,0,0]=3 59 B11R2.1 c1ccc2c(c1)CCC2N LS40652 [0,0,0,1,0,0|1,0,1]=3 60 B11R2.1 c1ccc2c(c1)CC[C@H]2N LS30488 [0,0,0,1,0,0|1,0,1]=3 61 B11R2.40 c1ccc(cc1)C2(CC2)N LS10606 [0,0,0,1,0,0|1,0,1]=3 62 B9R1.11 COC(=O)c1c[nH]cn1 LS20049 [0,0,0,0,1,0|3,0,0]=4 63 B9R1.11 COC(=O)c1ccc[nH]1 LS20248 [0,0,0,0,1,0|2,0,0]=3 64 B8R1.2 C#Cc1ccccc1 LS10701 [2,0,0,0,0,0|0,0,2]=4 65 B8R1.2 CNc1cccnc1 LS20470 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.2 c1cc(cnc1)C=O LS20485 [2,0,0,0,0,0|1,0,0]=3 67 B8R1.2 c1ccc(cc1)C=O LS41490 [2,0,0,0,0,0|0,0,0]=2 68 B8R1.2 c1ccc(cc1)CO LS41488 [2,0,0,0,0,0|1,0,0]=3 69 B8R1.2 c1cnccc1C=O LS20943 [2,0,0,0,0,0|1,0,0]=3 70 B8R1.2 c1cnccc1CN LS20857 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [1,1,0,0,0,0|0,0,0]=2 72 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [1,1,0,0,0,0|0,0,0]=2 73 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [1,1,0,0,0,0|0,0,0]=2 74 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [1,1,0,0,0,0|0,0,0]=2 75 B10R1.13 CC(=O)c1ccc(cn1)Br LS20859 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.13 CC(=O)c1ccc(nc1)Br LS21178 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.13 CN(C)c1ccc(cc1)Br LS10693 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.13 CN(C)c1ccc(cc1)Cl LS10239 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.13 Cc1ccc(cn1)C(=O)O LS20541 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.13 Cc1ncc(cn1)C(=O)C LS20101 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.13 c1cc(ccc1C(=N)N)Br LS00131 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.13 c1cc(ccc1C(=O)Cl)N LS11728 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.13 c1cc(ccc1C(=O)O)Cl LS10674 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] LS10622 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl LS10621 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.13 c1cc(ncc1Br)C(=O)O LS20244 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.13 c1cc(ncc1C(=O)O)Cl LS20664 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.13 c1cc(ncc1C(=O)O)N LS20730 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.13 c1cc(ncc1F)C(=O)O LS20092 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.28 CC(C)(c1ccccc1)O LS11531 [1,1,0,0,0,0|0,0,2]=4 91 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl LS40262 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.28 c1ccc(cc1)S(=O)(=O)O LS10672 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] LS40553 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.61 CC(=O)c1ccccc1N LS10731 [1,1,0,0,0,0|0,0,0]=2 95 B10R1.61 CC(=O)c1ccccc1O LS10607 [1,1,0,0,0,0|0,0,0]=2 96 B10R1.61 CC(=O)c1cccnc1Cl LS20570 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.61 CN(C)c1ccccc1Br LS10558 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.61 CN(C)c1ccccc1Cl LS10168 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.61 CN(C)c1ccccc1F LS10242 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.61 C[C@H](c1ccccc1Cl)O LS30121 [1,1,0,0,0,0|0,0,2]=4 101 B10R1.61 Cc1c(cccn1)C(=O)N LS20770 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.61 Cc1c(cccn1)C(=O)O LS20435 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.61 Cc1ccccc1C(=O)O LS10119 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.61 Cc1cccnc1C(=O)O LS20983 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.61 c1cc(c(nc1)Br)C(=O)O LS20396 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.61 c1cc(c(nc1)C(=O)O)F LS20394 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.61 c1cc(c(nc1)C(=O)O)N LS00020 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.61 c1cc(c(nc1)Cl)C(=O)O LS20665 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.61 c1cc(c(nc1)N)C(=O)O LS20530 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.61 c1cc(c(nc1)O)C(=O)O LS20423 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.61 c1cc(c(nc1)S)C(=O)O LS20725 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.61 c1ccc(c(c1)C(=O)O)Br LS10336 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.61 c1ccc(c(c1)C(=O)O)Cl LS10675 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.61 c1ccc(c(c1)C(=O)O)I LS00003 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] LS11572 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br LS11477 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I LS11476 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.61 c1cncc(c1C(=O)O)Br LS20726 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.61 c1cncc(c1C(=O)O)F LS20409 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.61 c1cncc(c1C(=O)O)N LS20439 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.61 c1cncc(c1C(=O)O)O LS20035 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.61 c1cncc(c1Cl)C(=O)O LS20834 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.113 CC(=O)c1cccc(c1)N LS11527 [1,1,0,0,0,0|0,0,0]=2 125 B10R1.113 CC(=O)c1cccc(n1)Br LS20488 [1,1,0,0,0,0|1,0,0]=3 126 B10R1.113 CN(C)c1cccc(c1)O LS11214 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.113 Cc1ccnc(c1)C(=O)C LS21177 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.113 c1c(cncc1Br)C(=O)O LS20729 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.113 c1c(cncc1Cl)C(=O)O LS20728 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.113 c1c(cncc1N)C(=O)O LS20110 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.113 c1c(cncc1O)C(=O)O LS20727 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.113 c1cc(cc(c1)Br)C(=N)N LS10543 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] LS11800 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.113 c1cc(nc(c1)Br)C(=O)O LS20438 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.113 c1cc(nc(c1)Cl)C(=O)O LS20264 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.113 c1cnc(cc1C(=O)O)Br LS20245 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.113 c1cnc(cc1C(=O)O)Cl LS20583 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.113 c1cnc(cc1C(=O)O)F LS20410 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.113 c1cnc(cc1C(=O)O)N LS20627 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.113 c1cnc(cc1C(=O)O)O LS20483 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.113 c1cnc(cc1Cl)C(=O)N LS20263 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.1 CCOc1ccc(cn1)Br LS20352 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.1 Cc1ccc(cc1)CCN LS11229 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.1 Cc1ccc(cc1)CCO LS11239 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.1 c1cc(ccc1CCN)Br LS11228 [1,1,0,0,0,0|1,0,1]=4 146 B10R1.1 c1cc(ccc1CCN)Cl LS11230 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.1 c1cc(ccc1CCN)N LS10602 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.1 c1cc(ccc1CCN)O LS11714 [1,1,0,0,0,0|1,0,1]=4 149 B10R1.1 c1cc(ccc1CCO)Br LS11249 [1,1,0,0,0,0|1,0,1]=4 150 B10R1.1 c1cc(ccc1CCO)Cl LS11400 [1,1,0,0,0,0|1,0,1]=4 151 B10R1.1 c1cc(ccc1CCO)F LS11241 [1,1,0,0,0,0|1,0,1]=4 152 B10R1.4 CCOc1ccccc1Br LS10370 [1,1,0,0,0,0|1,0,0]=3 153 B10R1.4 Cc1ccccc1CCO LS11237 [1,1,0,0,0,0|1,0,1]=4 154 B10R1.4 c1ccc(c(c1)CCN)Br LS11226 [1,1,0,0,0,0|1,0,1]=4 155 B10R1.4 c1ccc(c(c1)CCN)Cl LS11231 [1,1,0,0,0,0|1,0,1]=4 156 B10R1.4 c1ccc(c(c1)CCO)Br LS11247 [1,1,0,0,0,0|1,0,1]=4 157 B10R1.4 c1ccc(c(c1)CCO)F LS11240 [1,1,0,0,0,0|1,0,1]=4 158 B10R1.10 Cc1cccc(c1)CCO LS11238 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.10 c1cc(cc(c1)Br)CCN LS11227 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.10 c1cc(cc(c1)Br)CCO LS11248 [1,1,0,0,0,0|1,0,1]=4 161 B10R1.10 c1cc(cc(c1)Cl)CCN LS11232 [1,1,0,0,0,0|1,0,1]=4 162 B10R1.17 c1ccc(cc1)NCCN LS10740 [1,1,0,0,0,0|1,0,0]=3 163 B10R1.11 CCOC(=O)c1[nH]ccn1 LS20562 [0,1,0,0,1,0|2,0,0]=4 164 B10R1.11 CCOC(=O)c1ccc[nH]1 LS20212 [0,1,0,0,1,0|1,0,0]=3 165 B10R1.11 CCOC(=O)c1cnoc1 LS20145 [0,1,0,0,1,0|2,0,0]=4 166 B10R1.11 CCOC(=O)c1cocn1 LS20054 [0,1,0,0,1,0|2,0,0]=4 167 B10R1.14 COC(=O)c1cc(c[nH]1)Br LS20815 [0,1,0,0,1,0|2,0,0]=4 168 B10R1.149 COC(=O)c1c(ccs1)F LS20067 [0,1,0,0,1,0|2,0,0]=4 169 B10R1.149 Cc1c(ccs1)C(=O)OC LS20060 [0,1,0,0,1,0|2,0,0]=4 170 B12R1.34 COC(=O)C(c1ccccc1)Br LS11730 [0,1,0,0,0,1|1,0,0]=3 171 B12R1.371 COC(=O)Cc1ccccc1O LS10128 [0,1,0,0,0,1|1,0,0]=3 172 B12R1.16 CCOC(=O)c1cnc(nc1)N LS20015 [0,2,0,0,0,0|2,0,0]=4 173 B12R1.16 CNCC(c1ccc(cc1)O)O LS41251 [0,2,0,0,0,0|0,0,2]=4 174 B12R1.16 c1cc(ccc1C(=O)CC#N)F LS10157 [0,2,0,0,0,0|0,0,1]=3 175 B12R1.17 CCOC(=O)c1cc(cnc1)Br LS20216 [0,2,0,0,0,0|1,0,0]=3 176 B12R1.17 CCOC(=O)c1cccc(n1)N LS20771 [0,2,0,0,0,0|1,0,0]=3 177 B12R1.17 CCOC(=O)c1ccnc(c1)Br LS20069 [0,2,0,0,0,0|1,0,0]=3 178 B12R1.17 Cc1cccc(n1)C(=O)CC#N LS20099 [0,2,0,0,0,0|1,0,1]=4 179 B12R1.308 CCOC(=O)c1ccccc1Cl LS10629 [0,2,0,0,0,0|0,0,0]=2 180 B12R1.308 CCOC(=O)c1cccnc1C LS21134 [0,2,0,0,0,0|1,0,0]=3 181 B12R1.308 CCOC(=O)c1ccncc1N LS20034 [0,2,0,0,0,0|1,0,0]=3 182 B12R1.5 COC(=O)c1ccc(cc1)C#C LS10765 [0,2,0,0,0,0|1,0,0]=3 183 B12R1.5 COC(=O)c1ccc(cc1)CBr LS10680 [0,2,0,0,0,0|1,0,0]=3 184 B12R1.5 COc1ccc(cc1)C(=O)CBr LS11455 [0,2,0,0,0,0|1,0,0]=3 185 B12R1.5 c1cc(ccc1C#N)C(=O)CBr LS11692 [0,2,0,0,0,0|1,0,0]=3 186 B12R1.20 c1cc(ccc1C(=O)C(O)O)Br LS10179 [0,2,0,0,0,0|1,0,0]=3 187 B12R1.367 COC(=O)c1ccc(c(c1)Br)I LS11500 [0,2,0,0,0,0|1,0,0]=3 188 B12R1.367 COC(=O)c1ccc(c(c1)Br)O LS11732 [0,2,0,0,0,0|1,0,0]=3 189 B12R1.367 Cc1ccc(cc1I)C(=O)OC LS10763 [0,2,0,0,0,0|1,0,0]=3 190 B12R1.367 c1cc(c(cc1C(=O)CCl)F)F LS10703 [0,2,0,0,0,0|1,0,0]=3 191 B12R1.1703 COC(=O)c1ccc(cc1F)Br LS11210 [0,2,0,0,0,0|1,0,0]=3 192 B12R1.1703 COC(=O)c1ccc(cc1F)F LS11835 [0,2,0,0,0,0|1,0,0]=3 193 B12R1.1703 COC(=O)c1ccc(cc1O)O LS10726 [0,2,0,0,0,0|1,0,0]=3 194 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br LS20025 [0,2,0,0,0,0|2,0,0]=4 195 B12R1.24 COC(=O)c1cccc(c1F)N LS10072 [0,2,0,0,0,0|1,0,0]=3 196 B12R1.24 COC(=O)c1cccc(c1N)Cl LS11487 [0,2,0,0,0,0|1,0,0]=3 197 B12R1.24 COC(=O)c1cccc(c1N)O LS10153 [0,2,0,0,0,0|1,0,0]=3 198 B12R1.354 COC(=O)c1cc(ccc1Br)F LS11833 [0,2,0,0,0,0|1,0,0]=3 199 B12R1.354 COC(=O)c1cc(ccc1I)Br LS10771 [0,2,0,0,0,0|1,0,0]=3 200 B12R1.354 COC(=O)c1cc(ccc1N)Cl LS10357 [0,2,0,0,0,0|1,0,0]=3 201 B12R1.354 COC(=O)c1cc(ccc1O)Cl LS10755 [0,2,0,0,0,0|1,0,0]=3 202 B12R1.354 Cc1ccc(c(c1)C(=O)OC)I LS10697 [0,2,0,0,0,0|1,0,0]=3 203 B12R1.354 Cc1ccc(cc1C(=O)OC)Br LS10769 [0,2,0,0,0,0|1,0,0]=3 204 B12R1.358 COC(=O)c1cc(cc(c1)O)O LS00127 [0,2,0,0,0,0|1,0,0]=3 205 B12R1.358 Cc1cc(cc(n1)Cl)C(=O)OC LS20027 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.77 COC(=O)c1ccccc1CBr LS10148 [0,2,0,0,0,0|1,0,0]=3 207 B10R1.20 CCc1ccccc1C=O LS00084 [0,0,1,1,0,0|2,0,0]=4 208 B10R1.172 CCc1cccc(c1)C=O LS10374 [0,0,1,1,0,0|2,0,0]=4 209 B10R2.7 c1cc2c(nc1)NCC2 LS40389 [1,0,0,1,0,0|2,0,0]=4 210 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [1,0,0,1,0,0|0,0,1]=3 211 B10R2.7 c1ccc2c(c1)CNC2 LS40329 [1,0,0,1,0,0|1,0,1]=4 212 B10R2.7 c1ccc2c(c1)OCO2 LS10418 [1,0,0,1,0,0|2,0,0]=4 213 B10R2.7 c1ccc2c(c1)ccs2 LS40109 [1,0,0,1,0,0|1,0,1]=4 214 B10R2.7 c1ccc2c(c1)cn[nH]2 LS20969 [1,0,0,1,0,0|2,0,0]=4 215 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 LS21014 [0,0,0,1,0,1|1,0,1]=4 216 B12R2.24 c1cc2c(nc1)NC(=O)CO2 LS40780 [0,0,0,1,0,1|2,0,0]=4 217 B12R2.24 c1ccc2c(c1)CCC(=O)C2 LS41173 [0,0,0,1,0,1|0,0,0]=2 218 B12R2.24 c1ccc2c(c1)NC(=O)CO2 LS40207 [0,0,0,1,0,1|1,0,0]=3 219 B12R2.48 c1ccc(cc1)C2(CC2)C#N LS11638 [0,1,0,1,0,0|1,0,1]=4 220 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO LS20980 [0,1,0,1,0,0|2,0,0]=4 221 B12R2.1 c1ccc2c(c1)c(n[nH]2)C=O LS21172 [0,1,0,1,0,0|2,0,0]=4 222 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 LS30147 [0,1,0,1,0,0|1,0,1]=4 223 B12R2.1081 CC1c2ccccc2CCN1 LS21138 [0,1,0,1,0,0|1,0,1]=4 224 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 LS40612 [0,1,0,1,0,0|1,0,0]=3 225 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N LS30071 [0,1,0,1,0,0|1,0,1]=4 226 B12R2.1081 c1ccc2c(c1)c(=O)[nH]nn2 LS41926 [0,1,0,1,0,0|2,0,0]=4 227 B12R2.2028 c1ccc2c(c1)C(OC2=O)Br LS40549 [0,1,0,1,0,0|1,0,0]=3 228 B12R2.612 c1cc2c(cc1Br)COC2=O LS40024 [0,1,0,1,0,0|1,0,0]=3 229 B12R2.612 c1cc2c(cc1Cl)CCC2=O LS00023 [0,1,0,1,0,0|0,0,0]=2 230 B12R2.612 c1cc2c(cc1F)CCC2=O LS20516 [0,1,0,1,0,0|0,0,0]=2 231 B12R2.612 c1cc2c(cc1O)CCC2=O LS40251 [0,1,0,1,0,0|0,0,0]=2 232 B12R2.612 c1cc2c(cc1O)OCC2=O LS21028 [0,1,0,1,0,0|1,0,0]=3 233 B12R2.196 c1cc2c(c(c1)O)CCC2=O LS40238 [0,1,0,1,0,0|0,0,0]=2 234 B8R1.7 CC(=O)c1c[nH]cn1 LS20519 [1,0,0,0,1,0|2,0,0]=4 235 B8R1.7 CC(=O)c1cccs1 LS20643 [1,0,0,0,1,0|1,0,0]=3 236 B8R1.7 CC(=O)c1ccsc1 LS20391 [1,0,0,0,1,0|1,0,0]=3 237 B8R1.7 c1cc([nH]c1)C(=O)O LS20064 [1,0,0,0,1,0|2,0,0]=4 238 B8R1.7 c1cc(sc1)C(=O)Cl LS20650 [1,0,0,0,1,0|2,0,0]=4 239 B8R1.7 c1cc(sc1)C(=O)O LS20648 [1,0,0,0,1,0|2,0,0]=4 240 B8R1.7 c1cc(sc1)C(=O)[O-] LS21106 [1,0,0,0,1,0|2,0,0]=4 241 B8R1.7 c1cscc1C(=O)Cl LS20651 [1,0,0,0,1,0|2,0,0]=4 242 B8R1.7 c1cscc1C(=O)O LS20647 [1,0,0,0,1,0|2,0,0]=4