0 B14R3.49 C1C=CC=C2C=C3SC=CC3=C21 Amb24627566 [0,0,0,0,0,0|2,0,1]=3 1 B14R3.49 C1C=CC=C2N=C3ON=CC3=C21 Amb25360836 [0,0,0,0,0,0|0,1,2]=3 2 B14R3.49 C1C=C[n]2[n]c3ccccc3c21 Amb24089148 [0,0,0,0,0,0|3,0,1]=4 3 B14R3.49 C1C=Cc2[n][n]3ccccc3c21 Amb24088943 [0,0,0,0,0,0|3,0,1]=4 4 B14R3.49 C1C=Cc2[n]c3ccccc3[n]21 Amb24089145 [0,0,0,0,0,0|3,0,1]=4 5 B14R3.49 C1C=Cc2c1[nH]c3ccccc32 Amb24409043 [0,0,0,0,0,0|2,0,1]=3 6 B14R3.49 C1C=Cc2c1oc3ccccc32 Amb24078839 [0,0,0,0,0,0|3,0,0]=3 7 B14R3.49 C1C=Cc2oc3ccccc3c21 Amb24088946 [0,0,0,0,0,0|3,0,1]=4 8 B14R3.49 C1C=N[n]2c1[n]c3ccccc23 Amb24062012 [0,0,0,0,0,0|4,0,0]=4 9 B14R3.49 C1C=Nc2[n]c3ccccc3[n]21 Amb24078845 [0,0,0,0,0,0|3,0,1]=4 10 B14R3.49 C1C=Nc2oc3ccccc3c21 Amb25760764 [0,0,0,0,0,0|3,0,1]=4 11 B14R3.49 C1C=c2c(=N1)oc3ccccc32 Amb24100743 [0,0,0,0,0,0|3,0,0]=3 12 B14R3.49 C1CNc2[nH]c3ccccc3c21 Amb18199891 [0,0,0,0,0,0|2,0,2]=4 13 B14R3.49 C1CNc2[s]c3ccccc3c21 Amb18196943 [0,0,0,0,0,0|3,0,1]=4 14 B14R3.49 C1CNc2c1[n]c3cccc[n]32 Amb18830344 [0,0,0,0,0,0|4,0,0]=4 15 B14R3.49 C1CNc2c3ccccc3[nH]c21 Amb18830478 [0,0,0,0,0,0|3,0,1]=4 16 B14R3.49 C1C[n]2c([n]c3ccccc23)O1 Amb24375014 [0,0,0,0,0,0|2,1,1]=4 17 B14R3.49 C1N=C[n]2[n]c3ccccc3c21 Amb24089022 [0,0,0,0,0,0|2,0,2]=4 18 B14R3.49 C1N=Cc2[n]c3ccccc3[n]21 Amb24089018 [0,0,0,0,0,0|2,0,2]=4 19 B14R3.49 C1N=Cc2c1oc3ccccc23 Amb25231992 [0,0,0,0,0,0|2,0,1]=3 20 B14R3.49 C1N=Nc2[n]c3ccccc3[n]21 Amb24062082 [0,0,0,0,0,0|2,0,2]=4 21 B14R3.49 C1NC[n]2c3ccccc3[n]c21 Amb24089019 [0,0,0,0,0,0|2,0,1]=3 22 B14R3.49 C1NCc2[nH]c3ccccc3c21 Amb18830471 [0,0,0,0,0,0|1,0,2]=3 23 B14R3.49 C1NCc2[n][n]3ccccc3c21 Amb18830343 [0,0,0,0,0,0|2,0,1]=3 24 B14R3.49 C1NCc2[n]c3cccc[n]3c21 Amb18830345 [0,0,0,0,0,0|2,0,1]=3 25 B14R3.49 C1NCc2[s]c3ccccc3c21 Amb18197009 [0,0,0,0,0,0|2,0,1]=3 26 B14R3.49 C1NCc2c1cc3cccc[n]23 Amb18830469 [0,0,0,0,0,0|3,0,1]=4 27 B14R3.49 C1NCc2oc3ccccc3c21 Amb18830377 [0,0,0,0,0,0|2,0,1]=3 28 B14R3.49 C1OC[n]2c3ccccc3[n]c21 Amb24078390 [0,0,0,0,0,0|3,0,1]=4 29 B14R3.49 C1OCc2[nH]c3ccccc3c21 Amb23400852 [0,0,0,0,0,0|2,0,2]=4 30 B14R3.49 C1Oc2c(O1)oc3ccccc23 Amb24719864 [0,0,0,0,0,0|3,1,0]=4 31 B14R3.49 C1SC[n]2c3ccccc3[n]c21 Amb24078394 [0,0,0,0,0,0|3,0,1]=4 32 B14R3.49 C1SN[n]2c1[n]c3ccccc23 Amb24078380 [0,0,0,0,0,0|4,0,0]=4 33 B14R3.49 C1SNc2[n]c3ccccc3[n]21 Amb24078381 [0,0,0,0,0,0|3,0,1]=4 34 B14R3.49 C1SSc2[n]c3ccccc3[n]21 Amb24078838 [0,0,0,0,0,0|2,0,1]=3 35 B14R3.49 C1c2[n][nH]cc2-c3ccccc31 Amb25667029 [0,0,0,0,0,0|2,0,0]=2 36 B14R3.49 C1c2[s]c[n]c2-c3ccccc31 Amb25816602 [0,0,0,0,0,0|3,0,0]=3 37 B14R3.49 C1c2ccccc2-c3c[n]c[n]31 Amb24090182 [0,0,0,0,0,0|3,0,1]=4 38 B14R3.49 C1c2ccccc2-c3ccc[n]31 Amb25087912 [0,0,0,0,0,0|4,0,0]=4 39 B14R3.49 C1c2ccccc2-c3o[n]cc31 Amb24079468 [0,0,0,0,0,0|3,0,1]=4 40 B14R3.49 C1c2o[n]cc2-c3ccccc31 Amb24066351 [0,0,0,0,0,0|1,1,1]=3 41 B14R3.49 c1[nH][s]c2[n]c3ccccc3c21 Amb24724309 [0,0,0,0,0,0|0,0,0]=0 42 B14R3.49 c1[nH]c2c([n]1)[s]c3ccccc32 Amb24400279 [0,0,0,0,0,0|4,0,0]=4 43 B14R3.49 c1[nH]oc2c3ccccc3cc21 Amb24100780 [0,0,0,0,0,0|3,0,0]=3 44 B14R3.49 c1[n][nH]c2c1[nH]c3ccccc32 Amb24704248 [0,0,0,0,0,0|2,0,2]=4 45 B14R3.49 c1[n][nH]c2c1oc3ccccc32 Amb25700865 [0,0,0,0,0,0|3,0,1]=4 46 B14R3.49 c1[n][n]c2[nH]c3ccccc3[n]21 Amb24665749 [0,0,0,0,0,0|2,0,2]=4 47 B14R3.49 c1[n][s]c2[nH]c3ccccc3c21 Amb24094767 [0,0,0,0,0,0|0,0,2]=2 48 B14R3.49 c1[n]c[n]2c1[nH]c3ccccc23 Amb24079373 [0,0,0,0,0,0|2,0,2]=4 49 B14R3.49 c1[n]oc2[nH]c3ccccc3c21 Amb24399188 [0,0,0,0,0,0|0,1,2]=3 50 B14R3.49 c1[n]oc2c1oc3ccccc32 Amb24066385 [0,0,0,0,0,0|3,0,1]=4 51 B14R3.49 c1[n]oc2oc3ccccc3c21 Amb24066387 [0,0,0,0,0,0|1,1,1]=3 52 B14R3.49 c1c2[nH]cc[n]2c3ccccc31 Amb24088987 [0,0,0,0,0,0|4,0,0]=4 53 B14R3.49 c1c2[nH]occ2c3ccccc31 Amb24089080 [0,0,0,0,0,0|3,0,0]=3 54 B14R3.49 c1c2o[nH]cc2c3ccccc31 Amb24100779 [0,0,0,0,0,0|1,1,0]=2 55 B14R3.49 c1c[n]2c([nH]c3ccccc23)[n]1 Amb24737640 [0,0,0,0,0,0|3,0,1]=4 56 B14R3.49 c1c[n]2c([n]c3ccccc23)o1 Amb24564324 [0,0,0,0,0,0|2,1,0]=3 57 B14R3.49 c1c[s][n]2c1[n]c3ccccc23 Amb24081891 [0,0,0,0,0,0|4,0,0]=4 58 B14R3.49 c1c[s]c2c1[nH]c3ccccc32 Amb25108449 [0,0,0,0,0,0|3,0,1]=4 59 B14R3.49 c1cc2[nH]c3ccccc3c2o1 Amb17666795 [0,0,0,0,0,0|3,0,1]=4 60 B14R3.49 c1cc2[s]c3ccccc3c2[nH]1 Amb25764530 [0,0,0,0,0,0|4,0,0]=4 61 B14R3.49 c1cc2c([nH]1)oc3ccccc32 Amb24088938 [0,0,0,0,0,0|3,0,0]=3 62 B14R3.49 c1cc2c([nH]c3ccccc23)[s]1 Amb24056703 [0,0,0,0,0,0|1,0,1]=2 63 B14R3.49 c1cc2c([nH]c3ccccc23)o1 Amb25667617 [0,0,0,0,0,0|1,1,1]=3 64 B14R3.49 c1cc2c(oc3ccccc32)o1 Amb24081764 [0,0,0,0,0,0|2,1,0]=3 65 B14R3.49 c1cc2oc3ccccc3c2[nH]1 Amb24088939 [0,0,0,0,0,0|4,0,0]=4 66 B14R3.49 c1ccc2c(c1)[n+]3CCSc3s2 Amb1036552 [0,0,0,0,0,0|3,0,1]=4 67 B14R3.49 c1ccc2c(c1)n3CCCc3n2 Amb2137051 [0,0,0,0,0,0|3,0,1]=4 68 B14R3.49 c1ccc2c(c1)n3CCNc3n2 Amb1639394 [0,0,0,0,0,0|3,0,1]=4 69 B14R3.49 c1ccc2c(c1)n3cnnc3s2 Amb1147135 [0,0,0,0,0,0|3,0,1]=4 70 B14R3.49 c1cccc2[nH]c3ccc[n]3c21 Amb22388499 [0,0,0,0,0,0|3,0,1]=4 71 B14R3.49 c1cccc2[n]c3[n][n][nH][n]3c21 Amb24700265 [0,0,0,0,0,0|3,0,1]=4 72 B14R3.49 c1cccc2oc3[n][n][nH]c3c21 Amb24415344 [0,0,0,0,0,0|3,0,1]=4 73 B14R3.49 c1o[nH]c2c3ccccc3cc21 Amb24089079 [0,0,0,0,0,0|4,0,0]=4 74 B14R3.49 c1o[n]c2[nH]c3ccccc3c21 Amb24492955 [0,0,0,0,0,0|2,0,1]=3 75 B14R3.49 c1o[n]c2c3ccccc3oc21 Amb24066386 [0,0,0,0,0,0|4,0,0]=4 76 B14R3.49 c1occ2c1[nH]c3ccccc32 Amb25816346 [0,0,0,0,0,0|2,0,1]=3 77 B15R3.50 Brc1cc2Cc3[s]c[n]c3-c2cc1 Amb24411841 [0,1,0,0,0,0|3,0,0]=4 78 B15R3.50 Brc1cc2oc3CNCc3c2cc1 Amb18157752 [0,1,0,0,0,0|2,0,1]=4 79 B15R3.50 Clc1cc2Cc3c[nH][n]c3-c2cc1 Amb25246704 [0,1,0,0,0,0|3,0,0]=4 80 B15R3.50 Clc1cc2[nH]c3[s][n]cc3c2cc1 Amb25690417 [0,1,0,0,0,0|0,0,2]=3 81 B15R3.50 Fc1cc2[nH]c3[s][n]cc3c2cc1 Amb24392132 [0,1,0,0,0,0|0,0,2]=3 82 B15R3.50 Nc1cc2[n]c3SCC[n]3c2cc1 Amb18129912 [0,1,0,0,0,0|2,0,1]=4 83 B15R3.173 CC1c2[s]c[n]c2-c3ccccc31 Amb24375902 [0,1,0,0,0,0|3,0,0]=4 84 B15R3.173 C[n]1c2ccccc2c3CNCc13 Amb18198216 [0,1,0,0,0,0|1,0,2]=4 85 B15R3.173 O=C1c2[n][nH]cc2-c3ccccc31 Amb25134052 [0,1,0,0,0,0|2,0,0]=3 86 B15R3.173 O=C1c2snnc2c3c1cccc3 Amb2384521 [0,1,0,0,0,0|2,0,1]=4 87 B15R3.173 OC1c2[s]ccc2-c3ccccc31 Amb25753327 [0,1,0,0,0,0|2,0,0]=3 88 B15R3.173 OC1c2c[s]cc2-c3ccccc31 Amb25271577 [0,1,0,0,0,0|3,0,0]=4 89 B15R3.562 Brc1cccc2c1[nH]c3CNCc32 Amb18158458 [0,1,0,0,0,0|1,0,2]=4 90 B15R3.562 Brc1cccc2c1oc3CNCc32 Amb18157740 [0,1,0,0,0,0|2,0,1]=4 91 B15R3.562 Cc1cccc2c1oc3CNCc32 Amb18825296 [0,1,0,0,0,0|2,0,1]=4 92 B15R3.562 Clc1cccc2c1oc3CNCc32 Amb18190073 [0,1,0,0,0,0|2,0,1]=4 93 B15R3.562 Fc1cccc2c1[nH]c3CNCc32 Amb24511569 [0,1,0,0,0,0|1,0,2]=4 94 B15R3.562 Fc1cccc2c1[n]c3SCC[n]23 Amb25119980 [0,1,0,0,0,0|2,0,1]=4 95 B15R3.2009 Brc1[n]c-2c(Cc3ccccc23)[s]1 Amb18154473 [0,1,0,0,0,0|3,0,0]=4 96 B15R3.2009 Cc1cc2c([nH]c3ccccc23)[s]1 Amb24490128 [0,1,0,0,0,0|1,0,1]=3 97 B15R3.2009 Clc1[n]c-2c(Cc3ccccc23)[s]1 Amb25070171 [0,1,0,0,0,0|3,0,0]=4 98 B15R3.2009 Ic1[n]c-2c(Cc3ccccc23)[s]1 Amb24659276 [0,1,0,0,0,0|3,0,0]=4 99 B15R3.2009 N=C1Nc2c(oc3ccccc32)S1 Amb24343868 [0,1,0,0,0,0|3,0,0]=4 100 B15R3.2009 Nc1[n]c2c([nH]c3ccccc32)[s]1 Amb22443444 [0,1,0,0,0,0|2,0,1]=4 101 B15R3.2009 Nc1sc2c(n1)c3c(C2)cccc3 Amb1135831 [0,1,0,0,0,0|3,0,0]=4 102 B15R3.2009 O=C1CC2=Cc3ccccc3C2=C1 Amb24647712 [0,1,0,0,0,0|3,0,0]=4 103 B15R3.2009 O=C1NC2=C(Cc3ccccc23)S1 Amb19077760 [0,1,0,0,0,0|3,0,0]=4 104 B15R3.2009 OC1CC2=Cc3ccccc3C2=C1 Amb25769389 [0,1,0,0,0,0|3,0,0]=4 105 B15R3.2249 CC1NCc2c1[n]c3cccc[n]32 Amb18825286 [0,1,0,0,0,0|2,0,1]=4 106 B15R3.2249 C[C@@H]1NC[n]2c1[n]c3ccccc23 Amb24079768 [0,1,0,0,0,0|2,0,1]=4 107 B15R3.2249 C[n]1cc[n]2c3ccccc3[n]c21 Amb24088974 [0,1,0,0,0,0|3,0,0]=4 108 B15R3.2249 O=C1NC=C2c3ccccc3CN21 Amb25137087 [0,1,0,0,0,0|3,0,0]=4 109 B15R3.2249 O=C1NCc2c1[s]c3ccccc32 Amb24615843 [0,1,0,0,0,0|2,0,1]=4 110 B15R3.10083 CC1=CCc2[n]c3ccccc3[n]21 Amb24062068 [0,1,0,0,0,0|3,0,0]=4 111 B15R3.10083 CC1=NCc2[n]c3ccccc3[n]21 Amb24078847 [0,1,0,0,0,0|2,0,1]=4 112 B15R3.10083 CC1NCc2[n]c3cccc[n]3c21 Amb18197935 [0,1,0,0,0,0|2,0,1]=4 113 B15R3.10083 ClC1=NCc2[n]c3ccccc3[n]21 Amb24078846 [0,1,0,0,0,0|2,0,1]=4 114 B15R3.10083 N=C1SCc2[n]c3ccccc3[n]21 Amb22476989 [0,1,0,0,0,0|3,0,0]=4 115 B15R3.10083 Nc1[n][s]c2[n]c3ccccc3[n]21 Amb24739729 [0,1,0,0,0,0|1,0,1]=3 116 B15R3.10083 O=C1C=Cc2[n]c3ccccc3[n]21 Amb24089144 [0,1,0,0,0,0|3,0,0]=4 117 B15R3.10083 O=C1CCc2[nH]c3ccccc3c21 Amb22372257 [0,1,0,0,0,0|2,0,1]=4 118 B15R3.10083 O=C1CCc2[s]c3ccccc3c21 Amb25274448 [0,1,0,0,0,0|3,0,0]=4 119 B15R3.10083 O=C1CCc2oc3ccccc3c21 Amb25834321 [0,1,0,0,0,0|3,0,0]=4 120 B15R3.10083 O=C1CNc2[nH]c3ccccc3c21 Amb18825370 [0,1,0,0,0,0|2,0,1]=4 121 B15R3.10083 O=C1NCc2[nH]c3ccccc3c21 Amb22372200 [0,1,0,0,0,0|1,0,1]=3 122 B15R3.10083 O=C1NN=C2Sc3ccccc3N21 Amb22497524 [0,1,0,0,0,0|3,0,0]=4 123 B15R3.10083 O=C1OCc2[n]c3ccccc3[n]21 Amb24078389 [0,1,0,0,0,0|3,0,0]=4 124 B15R3.10083 O=C1SCc2[n]c3ccccc3[n]21 Amb24078393 [0,1,0,0,0,0|3,0,0]=4 125 B15R3.10083 Oc1[n][nH]c2[n]c3ccccc3[n]21 Amb24119556 [0,1,0,0,0,0|2,0,1]=4 126 B15R3.10083 Oc1c[s]c2[n]c3ccccc3[n]21 Amb25088872 [0,1,0,0,0,0|2,0,0]=3 127 B15R3.10083 S=C1NCc2[n]c3ccccc3[n]21 Amb24089020 [0,1,0,0,0,0|2,0,0]=3 128 B15R3.10083 S=C1NN=C2Nc3ccccc3N21 Amb19748319 [0,1,0,0,0,0|2,0,1]=4 129 B15R3.10083 S=C1NN=C2Oc3ccccc3N21 Amb22080543 [0,1,0,0,0,0|3,0,0]=4 130 B15R3.10083 S=C1NN=C2Sc3ccccc3N21 Amb17987662 [0,1,0,0,0,0|3,0,0]=4 131 B15R3.10083 S=c1[nH]nc2n1c3ccccc3s2 Amb1262726 [0,1,0,0,0,0|3,0,0]=4 132 B15R3.10591 Brc1cc-2c(Cc3[nH][n]cc23)cc1 Amb24663607 [0,1,0,0,0,0|2,0,1]=4 133 B15R3.10591 Brc1cc2c(cc1)oc3CNCc32 Amb18157742 [0,1,0,0,0,0|2,0,1]=4 134 B15R3.10591 Brc1ccc2[nH]c3CNCc3c2c1 Amb18158450 [0,1,0,0,0,0|1,0,2]=4 135 B15R3.10591 Cc1cc-2c(Cc3[s]c[n]c23)cc1 Amb25710017 [0,1,0,0,0,0|3,0,0]=4 136 B15R3.10591 Clc1cc2c3c[n][s]c3[nH]c2cc1 Amb24753854 [0,1,0,0,0,0|0,0,2]=3 137 B15R3.10591 Fc1ccc2[nH]c3CNCc3c2c1 Amb25308894 [0,1,0,0,0,0|1,0,2]=4 138 B15R3.10591 Nc1cc2c(cc1)[n]c3SCC[n]23 Amb18129914 [0,1,0,0,0,0|2,0,1]=4 139 B15R3.10591 Nc1cc2c(cc1)[s]c3CNCc32 Amb18190905 [0,1,0,0,0,0|2,0,1]=4 140 B15R3.10591 Oc1cc2c(cc1)[n]c3[s]c[n][n]23 Amb24570356 [0,1,0,0,0,0|3,0,0]=4 141 B15R3.10591 Oc1cc2c(cc1)[n]c3[s]cc[n]23 Amb25707512 [0,1,0,0,0,0|2,0,0]=3 142 B15R3.15273 Brc1cccc2Cc3[nH][n]cc3-c21 Amb24663606 [0,1,0,0,0,0|2,0,1]=4 143 B15R3.15273 Brc1cccc2Cc3o[n]cc3-c21 Amb25311725 [0,1,0,0,0,0|1,1,1]=4 144 B15R3.15273 Brc1cccc2[nH]c3CNCc3c21 Amb18158446 [0,1,0,0,0,0|1,0,2]=4 145 B15R3.15273 Brc1cccc2oc3CNCc3c21 Amb18157745 [0,1,0,0,0,0|2,0,1]=4 146 B13R2.1 CNCc1[nH][n]c2ccccc21 Amb18960077 [0,0,1,0,0,0|2,0,1]=4 147 B13R2.1 CNCc1c[nH]c2c1cccc2 Amb2519349 [0,0,1,0,0,0|1,0,2]=4 148 B13R2.1 CNCc1c[n]c2cccc[n]21 Amb22587616 [0,0,1,0,0,0|2,0,1]=4 149 B13R2.1 CNCc1c[n]c2cccc[n]21 Amb22587686 [0,0,1,0,0,0|2,0,1]=4 150 B13R2.1 CNCc1c[s]c2ccccc21 Amb18286790 [0,0,1,0,0,0|2,0,1]=4 151 B13R2.1 CNCc1coc2ccccc21 Amb19649828 [0,0,1,0,0,0|2,0,1]=4 152 B13R2.1 CNCc1coc2ccccc21 Amb21961522 [0,0,1,0,0,0|2,0,1]=4 153 B13R2.1 C\C=C\c1c[s]c2ccccc21 Amb24519019 [0,0,1,0,0,0|3,0,0]=4 154 B13R2.1 NNCc1c[nH]c2ccccc12 Amb19664693 [0,0,1,0,0,0|1,0,2]=4 155 B13R2.1 NNCc1c[s]c2ccccc21 Amb18796045 [0,0,1,0,0,0|2,0,1]=4 156 B13R2.1 NNCc1coc2ccccc21 Amb19664673 [0,0,1,0,0,0|2,0,1]=4 157 B13R2.1 N\C=C\c1c[nH]c2ccccc21 Amb25208609 [0,0,1,0,0,0|2,0,1]=4 158 B13R2.1 N\N=C\c1c[n]c2cccc[n]12 Amb25206585 [0,0,1,0,0,0|2,0,1]=4 159 B13R2.1 N\N=C\c1c[s]c2ccccc12 Amb25127573 [0,0,1,0,0,0|2,0,1]=4 160 B13R2.1 O=C\C=C\1/C=Cc2ccccc21 Amb18125977 [0,0,1,0,0,0|2,1,0]=4 161 B13R2.1 ON=Cc1c[nH]c2c1cccc2 Amb17616069 [0,0,1,0,0,0|0,1,2]=4 162 B13R2.1 ON=Cc1c[n]c2cccc[n]12 Amb20668890 [0,0,1,0,0,0|1,1,1]=4 163 B13R2.1 ONCc1c[nH]c2ccccc12 Amb24726020 [0,0,1,0,0,0|0,1,2]=4 164 B13R2.1 ONCc1c[n][n]2ccccc21 Amb25091654 [0,0,1,0,0,0|1,1,1]=4 165 B13R2.1 ONCc1coc2ccccc21 Amb25736634 [0,0,1,0,0,0|1,1,1]=4 166 B13R2.1 O\N=C\c1c[n]c2cccc[n]12 Amb22304666 [0,0,1,0,0,0|1,1,1]=4 167 B13R2.1 SCC[n]1c[n]c2ccccc12 Amb24078484 [0,0,1,0,0,0|2,0,1]=4 168 B13R2.1 SCCc1c[nH]c2ccccc21 Amb18564063 [0,0,1,0,0,0|1,0,2]=4 169 B13R2.1 SCCc1c[s]c2ccccc21 Amb25045544 [0,0,1,0,0,0|2,0,1]=4 170 B13R2.15 Brc1c[nH]nc1c2ccccc2 Amb15772363 [0,0,1,0,0,0|3,0,0]=4 171 B13R2.15 Brc1occc1c2ccccc2 Amb13884539 [0,0,1,0,0,0|2,1,0]=4 172 B13R2.15 Brc1sccc1c2ccccc2 Amb13884517 [0,0,1,0,0,0|2,0,0]=3 173 B13R2.15 Brc1sccc1c2ccccn2 Amb13884522 [0,0,1,0,0,0|3,0,0]=4 174 B13R2.15 Brc1sccc1c2cccnc2 Amb13884527 [0,0,1,0,0,0|3,0,0]=4 175 B13R2.15 Brc1sccc1c2ccncc2 Amb13884532 [0,0,1,0,0,0|3,0,0]=4 176 B13R2.15 Brc1scnc1c2ccccc2 Amb17410191 [0,0,1,0,0,0|3,0,0]=4 177 B13R2.15 Brc1snnc1c2ccccc2 Amb2417824 [0,0,1,0,0,0|2,0,1]=4 178 B13R2.15 Cc1[n][nH]cc1-c2cccc[n]2 Amb25712603 [0,0,1,0,0,0|3,0,0]=4 179 B13R2.15 Cc1[n][s]cc1-c2ccccc2 Amb24616307 [0,0,1,0,0,0|3,0,0]=4 180 B13R2.15 Cc1[n]occ1-c2ccccc2 Amb24707807 [0,0,1,0,0,0|3,0,0]=4 181 B13R2.15 Cc1[s]ccc1-c2c[n]ccc2 Amb24090926 [0,0,1,0,0,0|3,0,0]=4 182 B13R2.15 Cc1[s]ccc1-c2cccc[n]2 Amb25052932 [0,0,1,0,0,0|3,0,0]=4 183 B13R2.15 Cc1c[nH]cc1-c2cccc[n]2 Amb25320923 [0,0,1,0,0,0|3,0,0]=4 184 B13R2.15 Clc1[s]c[n]c1-c2ccccc2 Amb22753527 [0,0,1,0,0,0|3,0,0]=4 185 B13R2.15 Clc1[s]ccc1-c2cc[n]cc2 Amb24532585 [0,0,1,0,0,0|3,0,0]=4 186 B13R2.15 Clc1[s]ccc1-c2ccccc2 Amb24537779 [0,0,1,0,0,0|2,0,0]=3 187 B13R2.15 Clc1c[nH][n]c1-c2ccccc2 Amb18790996 [0,0,1,0,0,0|3,0,0]=4 188 B13R2.15 Clc1c[s]cc1-c2ccccc2 Amb25269696 [0,0,1,0,0,0|3,0,0]=4 189 B13R2.15 Clc1o[n]cc1-c2ccccc2 Amb25267862 [0,0,1,0,0,0|1,1,1]=4 190 B13R2.15 Clc1snnc1c2ccccc2 Amb2417839 [0,0,1,0,0,0|2,0,1]=4 191 B13R2.15 Fc1c[nH][n]c1-c2ccccc2 Amb24554800 [0,0,1,0,0,0|3,0,0]=4 192 B13R2.15 Ic1[n][nH]cc1-c2ccccc2 Amb25065745 [0,0,1,0,0,0|2,0,0]=3 193 B13R2.15 Ic1c[nH][n]c1-c2ccccc2 Amb23513043 [0,0,1,0,0,0|3,0,0]=4 194 B13R2.15 Nc1[nH]ncc1c2ccccc2 Amb1281898 [0,0,1,0,0,0|1,0,2]=4 195 B13R2.15 Nc1[s]ccc1-c2cccc[n]2 Amb18944327 [0,0,1,0,0,0|2,0,1]=4 196 B13R2.15 Nc1[s]ccc1-c2ccccc2 Amb25725071 [0,0,1,0,0,0|1,0,1]=3 197 B13R2.15 Nc1cscc1c2ccccc2 Amb17335068 [0,0,1,0,0,0|2,0,1]=4 198 B13R2.15 Nc1n[nH]cc1c2ccccc2 Amb2234634 [0,0,1,0,0,0|1,0,1]=3 199 B13R2.15 Nc1nocc1c2ccccc2 Amb17334490 [0,0,1,0,0,0|2,0,1]=4 200 B13R2.15 Nc1oncc1c2ccccc2 Amb2384414 [0,0,1,0,0,0|0,1,2]=4 201 B13R2.15 Nc1scnc1c2ccccc2 Amb13951990 [0,0,1,0,0,0|2,0,1]=4 202 B13R2.15 O=C1CCC=C1c2ccccc2 Amb24099094 [0,0,1,0,0,0|3,0,0]=4 203 B13R2.15 O=C1N=NC=C1c2ccccc2 Amb24122127 [0,0,1,0,0,0|2,0,1]=4 204 B13R2.15 Oc1[n][nH]cc1-c2c[n]ccc2 Amb24497494 [0,0,1,0,0,0|3,0,0]=4 205 B13R2.15 Oc1[n][nH]cc1-c2ccccc2 Amb24105442 [0,0,1,0,0,0|2,0,0]=3 206 B13R2.15 S=C1SC=CN1c2ccccc2 Amb24117111 [0,0,1,0,0,0|3,0,0]=4 207 B13R2.15 S=C1SSC=C1c2ccccc2 Amb19754496 [0,0,1,0,0,0|2,0,0]=3 208 B13R2.15 S=C1SSN=C1c2ccccc2 Amb25775228 [0,0,1,0,0,0|3,0,0]=4 209 B13R2.15 Sc1snnc1c2ccccc2 Amb2421198 [0,0,1,0,0,0|2,0,1]=4 210 B13R2.18 Brc1[n]cccc1-c2c[s]cc2 Amb24319327 [0,0,1,0,0,0|3,0,0]=4 211 B13R2.18 Brc1c[n]ccc1-c2c[nH][n]c2 Amb24321022 [0,0,1,0,0,0|3,0,0]=4 212 B13R2.18 Brc1c[n]ccc1-c2c[s]cc2 Amb24320578 [0,0,1,0,0,0|3,0,0]=4 213 B13R2.18 Brc1cc[n]cc1-c2c[nH][n]c2 Amb24320962 [0,0,1,0,0,0|3,0,0]=4 214 B13R2.18 Brc1cc[n]cc1-c2c[s]cc2 Amb24320599 [0,0,1,0,0,0|3,0,0]=4 215 B13R2.18 Brc1ccc[n]c1-c2c[nH][n]c2 Amb24320858 [0,0,1,0,0,0|3,0,0]=4 216 B13R2.18 Brc1ccc[n]c1-c2c[s]cc2 Amb24320697 [0,0,1,0,0,0|3,0,0]=4 217 B13R2.18 Brc1ccccc1-c2c[nH][n]c2 Amb18164849 [0,0,1,0,0,0|2,0,0]=3 218 B13R2.18 Brc1ccccc1-c2c[n]oc2 Amb18755046 [0,0,1,0,0,0|1,1,1]=4 219 B13R2.18 Brc1ccccc1c2c[nH]cn2 Amb10608190 [0,0,1,0,0,0|3,0,0]=4 220 B13R2.18 Brc1ccccc1c2cc[nH]c2 Amb10605573 [0,0,1,0,0,0|2,0,0]=3 221 B13R2.18 Cc1c[n]ccc1-c2c[nH][n]c2 Amb25052882 [0,0,1,0,0,0|3,0,0]=4 222 B13R2.18 Cc1ccccc1-c2c[nH]c[n]2 Amb25187490 [0,0,1,0,0,0|3,0,0]=4 223 B13R2.18 Cc1ccccc1C=2CNCC2 Amb22059719 [0,0,1,0,0,0|2,0,1]=4 224 B13R2.18 Cc1ccccc1c2c[nH]nc2 Amb17334430 [0,0,1,0,0,0|2,0,0]=3 225 B13R2.18 Cc1ccccc1c2cc[nH]n2 Amb10070608 [0,0,1,0,0,0|3,0,0]=4 226 B13R2.18 Cc1cccnc1c2ccsc2 Amb13890759 [0,0,1,0,0,0|3,0,0]=4 227 B13R2.18 Cc1ccncc1c2ccsc2 Amb13890762 [0,0,1,0,0,0|3,0,0]=4 228 B13R2.18 Clc1[n]cccc1-c2c[nH][n]c2 Amb24321073 [0,0,1,0,0,0|3,0,0]=4 229 B13R2.18 Clc1[n]cccc1-c2c[s]cc2 Amb24319328 [0,0,1,0,0,0|3,0,0]=4 230 B13R2.18 Clc1ccc[n]c1-c2c[nH][n]c2 Amb22264487 [0,0,1,0,0,0|3,0,0]=4 231 B13R2.18 Clc1ccccc1-c2c[nH]c[n]2 Amb25149866 [0,0,1,0,0,0|3,0,0]=4 232 B13R2.18 Clc1ccccc1c2c[nH]nc2 Amb17335272 [0,0,1,0,0,0|2,0,0]=3 233 B13R2.18 Clc1ccccc1c2cc[nH]c2 Amb10606633 [0,0,1,0,0,0|2,0,0]=3 234 B13R2.18 Clc1ccccc1c2cscn2 Amb2234855 [0,0,1,0,0,0|3,0,0]=4 235 B13R2.18 Fc1ccc[n]c1-c2c[nH][n]c2 Amb24525507 [0,0,1,0,0,0|3,0,0]=4 236 B13R2.18 Fc1ccccc1-c2c[nH][n][n]2 Amb25808139 [0,0,1,0,0,0|3,0,0]=4 237 B13R2.18 Fc1ccccc1-c2c[nH]c[n]2 Amb25187489 [0,0,1,0,0,0|3,0,0]=4 238 B13R2.18 Fc1ccccc1-c2c[nH]cc2 Amb24651003 [0,0,1,0,0,0|2,0,0]=3 239 B13R2.18 Fc1ccccc1-c2c[n]oc2 Amb25715933 [0,0,1,0,0,0|1,1,1]=4 240 B13R2.18 Fc1ccccc1C=2CNCC2 Amb22059720 [0,0,1,0,0,0|2,0,1]=4 241 B13R2.18 Fc1ccccc1c2c[nH]nc2 Amb17334552 [0,0,1,0,0,0|2,0,0]=3 242 B13R2.18 Nc1[n]cccc1-c2c[nH][n]c2 Amb24321074 [0,0,1,0,0,0|2,0,1]=4 243 B13R2.18 Nc1[n]cccc1-c2c[s]cc2 Amb24319329 [0,0,1,0,0,0|2,0,1]=4 244 B13R2.18 Nc1c[n]ccc1-c2c[nH][n]c2 Amb24321023 [0,0,1,0,0,0|2,0,1]=4 245 B13R2.18 Nc1c[n]ccc1-c2c[nH]cc2 Amb25152489 [0,0,1,0,0,0|2,0,1]=4 246 B13R2.18 Nc1c[n]ccc1-c2c[s]cc2 Amb24320579 [0,0,1,0,0,0|2,0,1]=4 247 B13R2.18 Nc1cc[n]cc1-c2c[nH][n]c2 Amb24320963 [0,0,1,0,0,0|2,0,1]=4 248 B13R2.18 Nc1cc[n]cc1-c2c[s]cc2 Amb24320600 [0,0,1,0,0,0|2,0,1]=4 249 B13R2.18 Nc1ccc[n]c1-c2c[nH][n]c2 Amb24320859 [0,0,1,0,0,0|2,0,1]=4 250 B13R2.18 Nc1ccccc1-c2c[nH][n]c2 Amb18830346 [0,0,1,0,0,0|1,0,1]=3 251 B13R2.18 Nc1ccccc1-c2c[nH]c[n]2 Amb22749784 [0,0,1,0,0,0|2,0,1]=4 252 B13R2.18 Nc1ccccc1-c2c[n][s]c2 Amb24366468 [0,0,1,0,0,0|0,0,2]=3 253 B13R2.18 Nc1ccccc1-c2c[n]oc2 Amb18645301 [0,0,1,0,0,0|0,1,2]=4 254 B13R2.18 Nc1ccccc1-c2c[s][n][n]2 Amb20622208 [0,0,1,0,0,0|1,0,2]=4 255 B13R2.18 Nc1ccccc1-c2c[s]cc2 Amb24081285 [0,0,1,0,0,0|1,0,1]=3 256 B13R2.18 Nc1ccccc1c2cscn2 Amb13884101 [0,0,1,0,0,0|2,0,1]=4 257 B13R2.18 Oc1[n]cccc1-c2c[s]cc2 Amb24319330 [0,0,1,0,0,0|3,0,0]=4 258 B13R2.18 Oc1ccc[n]c1-c2c[s]cc2 Amb24320698 [0,0,1,0,0,0|3,0,0]=4 259 B13R2.18 Oc1ccccc1-c2c[nH]c[n]2 Amb25149867 [0,0,1,0,0,0|3,0,0]=4 260 B13R2.18 Oc1ccccc1-c2c[nH]cc2 Amb24739540 [0,0,1,0,0,0|2,0,0]=3 261 B13R2.18 Oc1ccccc1-c2c[n][s][n]2 Amb24583514 [0,0,1,0,0,0|2,0,1]=4 262 B13R2.18 Oc1ccccc1-c2c[n]oc2 Amb23313305 [0,0,1,0,0,0|1,1,1]=4 263 B13R2.18 Oc1ccccc1c2cc[nH]n2 Amb10068999 [0,0,1,0,0,0|3,0,0]=4 264 B13R2.18 Oc1ccccc1c2csnn2 Amb2409834 [0,0,1,0,0,0|2,0,1]=4 265 B13R2.18 Sc1ccccc1-c2c[nH]c[n]2 Amb25299479 [0,0,1,0,0,0|3,0,0]=4 266 B13R2.26 C=C=Cc1[n]c2ccccc2[s]1 Amb24084951 [0,0,1,0,0,0|3,0,0]=4 267 B13R2.26 C=C=Cc1[n]c2ccccc2o1 Amb24084952 [0,0,1,0,0,0|3,0,0]=4 268 B13R2.26 C=CCc1[nH]c2ccccc2[n]1 Amb20622889 [0,0,1,0,0,0|3,0,0]=4 269 B13R2.26 C=CCc1[n]c2ccccc2[s]1 Amb24105975 [0,0,1,0,0,0|3,0,0]=4 270 B13R2.26 C=CCc1[n]c2ccccc2o1 Amb24105982 [0,0,1,0,0,0|3,0,0]=4 271 B13R2.26 C=CCc1cc2ccccc2o1 Amb24105983 [0,0,1,0,0,0|3,0,0]=4 272 B13R2.26 C=CSc1[n]c2[n]cccc2[s]1 Amb24098844 [0,0,1,0,0,0|3,0,0]=4 273 B13R2.26 C=CSc1[n]c2ccccc2o1 Amb24627303 [0,0,1,0,0,0|2,0,0]=3 274 B13R2.26 C=NCc1[nH]c2ccccc2[n]1 Amb24444819 [0,0,1,0,0,0|2,0,1]=4 275 B13R2.26 CCSc1[nH]c2ccccc2[n]1 Amb22032595 [0,0,1,0,0,0|2,0,1]=4 276 B13R2.26 CCSc1[n]c2ccccc2o1 Amb25204488 [0,0,1,0,0,0|2,0,1]=4 277 B13R2.26 CCSc1c[n]2ccccc2[n]1 Amb25376137 [0,0,1,0,0,0|2,0,1]=4 278 B13R2.26 CCSc1cc2ccccc2[nH]1 Amb25290226 [0,0,1,0,0,0|1,0,2]=4 279 B13R2.26 CCSc1nc2c([nH]1)cccc2 Amb1263347 [0,0,1,0,0,0|2,0,1]=4 280 B13R2.26 CCSc1nc2c([nH]1)cccc2 Amb16205362 [0,0,1,0,0,0|2,0,1]=4 281 B13R2.26 CNCC=1Cc2ccccc2C1 Amb24451114 [0,0,1,0,0,0|2,0,1]=4 282 B13R2.26 CNCc1[nH]c2ccccc2[n]1 Amb18363957 [0,0,1,0,0,0|2,0,1]=4 283 B13R2.26 CNCc1[n]c2ccccc2[s]1 Amb21959881 [0,0,1,0,0,0|2,0,1]=4 284 B13R2.26 CNCc1cc2c(o1)cccc2 Amb10813873 [0,0,1,0,0,0|2,0,1]=4 285 B13R2.26 CNCc1cc2c(s1)cccc2 Amb1792462 [0,0,1,0,0,0|2,0,1]=4 286 B13R2.26 CNCc1nc2c([nH]1)cccc2 Amb1760901 [0,0,1,0,0,0|2,0,1]=4 287 B13R2.26 CNCc1nc2n(c1)cccc2 Amb10825272 [0,0,1,0,0,0|2,0,1]=4 288 B13R2.26 CNCc1nc2n(c1)cccc2 Amb1945767 [0,0,1,0,0,0|2,0,1]=4 289 B13R2.26 CNSc1[n]c2ccccc2[s]1 Amb24517192 [0,0,1,0,0,0|1,0,1]=3 290 B13R2.26 ClCSc1[n]c2ccccc2o1 Amb25725046 [0,0,1,0,0,0|3,0,0]=4 291 B13R2.26 ClCSc1cc2ccccc2[nH]1 Amb25763333 [0,0,1,0,0,0|2,0,1]=4 292 B13R2.26 ClCSc1cc2ccccc2[s]1 Amb24628210 [0,0,1,0,0,0|3,0,0]=4 293 B13R2.26 FCSc1[n]c2ccccc2[s]1 Amb24106748 [0,0,1,0,0,0|3,0,0]=4 294 B13R2.26 N#CSc1[n]c2ccccc2o1 Amb24517090 [0,0,1,0,0,0|3,0,0]=4 295 B13R2.26 N#CSc1nc2c(s1)cccc2 Amb10559539 [0,0,1,0,0,0|3,0,0]=4 296 B13R2.26 NNCc1[nH]c2ccccc2[n]1 Amb19664670 [0,0,1,0,0,0|3,0,0]=4 297 B13R2.26 NNCc1[n]c2ccccc2[s]1 Amb22483987 [0,0,1,0,0,0|3,0,0]=4 298 B13R2.26 NNCc1cc2ccccc2[s]1 Amb18790981 [0,0,1,0,0,0|3,0,0]=4 299 B13R2.26 NNCc1nc2c(s1)cccc2 Amb1113644 [0,0,1,0,0,0|3,0,0]=4 300 B13R2.26 NNCc1nc2n(c1)cccc2 Amb1118462 [0,0,1,0,0,0|3,0,0]=4 301 B13R2.26 NNSc1[n]c2ccccc2[s]1 Amb24101308 [0,0,1,0,0,0|2,0,0]=3 302 B13R2.26 O=CSc1[n]c2ccccc2[s]1 Amb24097107 [0,0,1,0,0,0|3,0,0]=4 303 B13R2.26 O=CSc1[n]c2ccccc2o1 Amb24639244 [0,0,1,0,0,0|3,0,0]=4 304 B13R2.26 ONCc1cc2ccccc2[nH]1 Amb24627863 [0,0,1,0,0,0|2,0,1]=4 305 B13R2.26 ONCc1cc2ccccc2o1 Amb25736635 [0,0,1,0,0,0|3,0,0]=4 306 B13R2.26 SCSc1[n]c2ccccc2[s]1 Amb24094694 [0,0,1,0,0,0|3,0,0]=4 307 B13R2.45 CCC1=Nc2ccccc2C1=O Amb24753327 [0,0,1,0,0,0|3,0,0]=4 308 B13R2.45 CSC1=Nc2ccccc2C1=O Amb25136885 [0,0,1,0,0,0|2,0,0]=3 309 B13R2.45 CSc1[n][n]2ccccc2c1N Amb25152667 [0,0,1,0,0,0|3,0,0]=4 310 B13R2.45 CSc1[s]c2ccccc2c1Br Amb24708434 [0,0,1,0,0,0|3,0,0]=4 311 B13R2.45 CSc1nc2c(n1C)cccc2 Amb2228313 [0,0,1,0,0,0|2,0,1]=4 312 B13R2.45 CSc1nc2c(n1N)cccc2 Amb1147981 [0,0,1,0,0,0|3,0,0]=4 313 B13R2.45 C\C=C/1\Nc2ccccc2C1=C Amb24566691 [0,0,1,0,0,0|2,0,1]=4 314 B13R2.45 Cc1c(CN)[n]c2cccc[n]21 Amb25301944 [0,0,1,0,0,0|2,0,1]=4 315 B13R2.45 Cc1c(CN)[s]c2ccccc21 Amb24557728 [0,0,1,0,0,0|2,0,1]=4 316 B13R2.45 Cc1c2ccccc2[nH]c1SC Amb25738999 [0,0,1,0,0,0|1,0,2]=4 317 B13R2.45 NCc1[nH]c2ccccc2c1Cl Amb18909191 [0,0,1,0,0,0|2,0,1]=4 318 B13R2.45 NCc1[nH]c2ccccc2c1F Amb25705348 [0,0,1,0,0,0|2,0,1]=4 319 B13R2.45 NCc1[s]c2ccccc2c1Cl Amb22586794 [0,0,1,0,0,0|3,0,0]=4 320 B13R2.45 NCc1nc2c(n1C)cccc2 Amb1154126 [0,0,1,0,0,0|2,0,1]=4 321 B13R2.45 NCc1nc2c(n1C)cccc2 Amb17622265 [0,0,1,0,0,0|2,0,1]=4 322 B13R2.45 NCc1nc2c(n1C)cccc2 Amb2371158 [0,0,1,0,0,0|2,0,1]=4 323 B13R2.45 NCc1oc2c(c1C)cccc2 Amb15701585 [0,0,1,0,0,0|2,0,1]=4 324 B13R2.45 NNc1nc2c(n1C)cccc2 Amb1101733 [0,0,1,0,0,0|2,0,1]=4 325 B13R2.45 N\C=C/1\Cc2ccccc2C1=O Amb24553059 [0,0,1,0,0,0|3,0,0]=4 326 B13R2.45 N\C=C/1\Oc2ccccc2C1=O Amb24061513 [0,0,1,0,0,0|3,0,0]=4 327 B13R2.45 N\C=C/1\Sc2ccccc2C1=S Amb24738758 [0,0,1,0,0,0|3,0,0]=4 328 B13R2.45 N\N=C\1/Cc2ccccc2C1=O Amb24364156 [0,0,1,0,0,0|3,0,0]=4 329 B13R2.45 Nc1c2ccccc2[s]c1CN Amb23402513 [0,0,1,0,0,0|3,0,0]=4 330 B13R2.45 O=C1c2ccccc2N=C1C=O Amb18645133 [0,0,1,0,0,0|3,0,0]=4 331 B13R2.64 C(c1c[nH][n]c1)c2ccccc2 Amb25187683 [0,0,1,0,0,0|3,0,0]=4 332 B13R2.64 C(c1c[nH]c[n]1)c2ccccc2 Amb24400401 [0,0,1,0,0,0|3,0,0]=4 333 B13R2.64 C(c1c[nH]cc1)c2ccccc2 Amb24488524 [0,0,1,0,0,0|2,0,0]=3 334 B13R2.64 C(c1c[n]c[s]1)c2ccccc2 Amb24732115 [0,0,1,0,0,0|3,0,0]=4 335 B13R2.64 C(c1c[s]cc1)c2ccccc2 Amb20620368 [0,0,1,0,0,0|3,0,0]=4 336 B13R2.64 C(c1ccc[nH]1)c2ccccc2 Amb24356775 [0,0,1,0,0,0|3,0,0]=4 337 B13R2.64 C(c1ccc[s]1)c2ccccc2 Amb22045059 [0,0,1,0,0,0|2,0,0]=3 338 B13R2.64 C(c1ccccc1)[n+]2ccc[s]2 Amb22450183 [0,0,1,0,0,0|3,0,0]=4 339 B13R2.64 c1[nH][n]cc1Oc2ccccc2 Amb23556492 [0,0,1,0,0,0|3,0,0]=4 340 B13R2.64 c1[nH][n]cc1Sc2ccccc2 Amb24497930 [0,0,1,0,0,0|3,0,0]=4 341 B13R2.64 c1[nH]cc([n]1)Oc2ccccc2 Amb24069253 [0,0,1,0,0,0|3,0,0]=4 342 B13R2.64 c1ccc(cc1)Cc2ccn[nH]2 Amb10555451 [0,0,1,0,0,0|2,0,1]=4 343 B13R2.64 c1ccc(cc1)Cc2cnns2 Amb10571406 [0,0,1,0,0,0|2,0,1]=4 344 B13R2.64 c1ccc(cc1)Nc2cnns2 Amb16208385 [0,0,1,0,0,0|1,0,2]=4 345 B13R2.64 c1ccc(cc1)Oc2cnns2 Amb2424389 [0,0,1,0,0,0|2,0,1]=4 346 B13R2.64 c1ccc(cc1)Oc2cocc2 Amb10071966 [0,0,1,0,0,0|3,0,0]=4 347 B13R2.64 c1ccc(cc1)Sc2c[nH]cn2 Amb10553647 [0,0,1,0,0,0|3,0,0]=4 348 B13R2.64 c1ccc(cc1)Sc2ccn[nH]2 Amb10555447 [0,0,1,0,0,0|2,0,1]=4 349 B13R2.64 c1ccc(cc1)Sc2cnns2 Amb2417700 [0,0,1,0,0,0|2,0,1]=4 350 B13R2.64 c1ccc(cc1)Sc2nccs2 Amb10573494 [0,0,1,0,0,0|3,0,0]=4 351 B13R2.64 c1ccc(cc1)\N=c/2\snn[nH]2 Amb16210251 [0,0,1,0,0,0|2,0,1]=4 352 B13R2.64 c1ccccc1Nc2ccc[s]2 Amb24394931 [0,0,1,0,0,0|1,0,1]=3 353 B13R2.64 c1ccccc1Nc2cco[n]2 Amb25152560 [0,0,1,0,0,0|2,0,1]=4 354 B13R2.64 c1ccccc1\N=C\2/NN=NS2 Amb22520522 [0,0,1,0,0,0|2,0,1]=4 355 B13R2.67 c1cccc2C=CC=CC=Cc21 Amb22356302 [0,0,1,0,0,0|3,0,0]=4 356 B13R2.67 c1cccc2C=CC=CC=Cc21 Amb22364889 [0,0,1,0,0,0|3,0,0]=4 357 B13R2.135 C=C[n]1c(N)[n]c2ccccc12 Amb24693925 [0,0,1,0,0,0|3,0,0]=4 358 B13R2.135 CC/1=Nc2ccccc2\C1=N\O Amb25751222 [0,0,1,0,0,0|3,0,0]=4 359 B13R2.135 CC1=Nc2ccccc2C1=[N+]=[N-] Amb25377424 [0,0,1,0,0,0|2,0,1]=4 360 B13R2.135 CCn1c(S)nc2c1cccc2 Amb1104433 [0,0,1,0,0,0|2,0,1]=4 361 B13R2.135 C\C=C/1\C(=O)Nc2ccccc21 Amb24487101 [0,0,1,0,0,0|1,1,1]=4 362 B13R2.135 Cc1[nH]c2ccccc2c1CN Amb21959853 [0,0,1,0,0,0|1,0,2]=4 363 B13R2.135 Cc1[n][n]2ccccc2c1C=O Amb18830238 [0,0,1,0,0,0|3,0,0]=4 364 B13R2.135 Cc1oc2ccccc2c1C=C Amb24084754 [0,0,1,0,0,0|3,0,0]=4 365 B13R2.135 Cc1oc2ccccc2c1CN Amb24061887 [0,0,1,0,0,0|2,0,1]=4 366 B13R2.135 N=Cc1c(O)[s]c2ccccc21 Amb25376422 [0,0,1,0,0,0|1,1,1]=4 367 B13R2.135 N=Cc1c(S)[s]c2ccccc21 Amb24615862 [0,0,1,0,0,0|1,0,1]=3 368 B13R2.135 N\C=C/1\C(=O)Sc2ccccc21 Amb24485637 [0,0,1,0,0,0|1,1,0]=3 369 B13R2.135 N\C=C\1/C(=S)Nc2ccccc21 Amb24415265 [0,0,1,0,0,0|0,0,2]=3 370 B13R2.135 N\N=C/1\C(=O)Cc2ccccc12 Amb24723936 [0,0,1,0,0,0|2,1,0]=4 371 B13R2.135 N\N=C/1\C(=O)Nc2c1cccc2 Amb2550333 [0,0,1,0,0,0|1,1,1]=4 372 B13R2.135 N\N=C/1\C(=O)Sc2ccccc21 Amb24579786 [0,0,1,0,0,0|2,1,0]=4 373 B13R2.135 N\N=C\1/C(=O)Cc2ccccc12 Amb24633409 [0,0,1,0,0,0|2,1,0]=4 374 B13R2.135 N\N=C\1/C(=O)Nc2ccccc21 Amb22492050 [0,0,1,0,0,0|1,1,1]=4 375 B13R2.135 N\N=C\1/C(=O)Sc2ccccc21 Amb19134061 [0,0,1,0,0,0|2,1,0]=4 376 B13R2.135 Nc1[nH]c2ccccc2c1C=O Amb18830279 [0,0,1,0,0,0|2,0,1]=4 377 B13R2.135 Nc1[s]c2ccccc2c1C=O Amb18825001 [0,0,1,0,0,0|3,0,0]=4 378 B13R2.135 Nc1oc2ccccc2c1C=O Amb18830101 [0,0,1,0,0,0|3,0,0]=4 379 B13R2.135 O=Cc1c(Br)[nH]c2ccccc21 Amb18134342 [0,0,1,0,0,0|2,0,1]=4 380 B13R2.135 O=Cc1c(Br)[n]c2cccc[n]21 Amb18754830 [0,0,1,0,0,0|3,0,0]=4 381 B13R2.135 O=Cc1c(Br)[s]c2ccccc21 Amb18661020 [0,0,1,0,0,0|3,0,0]=4 382 B13R2.135 O=Cc1c(C)nc2n1cccc2 Amb1106632 [0,0,1,0,0,0|3,0,0]=4 383 B13R2.135 O=Cc1c(C)oc2c1cccc2 Amb1003032 [0,0,1,0,0,0|3,0,0]=4 384 B13R2.135 O=Cc1c(C)sc2c1cccc2 Amb10569109 [0,0,1,0,0,0|3,0,0]=4 385 B13R2.135 O=Cc1c(Cl)[nH]c2c1cccc2 Amb1153968 [0,0,1,0,0,0|2,0,1]=4 386 B13R2.135 O=Cc1c(Cl)[s]c2ccccc21 Amb18675050 [0,0,1,0,0,0|3,0,0]=4 387 B13R2.135 O=Cc1c(Cl)nc2n1cccc2 Amb1106631 [0,0,1,0,0,0|3,0,0]=4 388 B13R2.135 O=Cc1c(I)[nH]c2ccccc21 Amb24067889 [0,0,1,0,0,0|2,0,1]=4 389 B13R2.135 O=Cc1c(S)[nH]c2ccccc21 Amb18825011 [0,0,1,0,0,0|1,0,1]=3 390 B13R2.135 O\C=C/1\C(=O)Cc2ccccc12 Amb24518375 [0,0,1,0,0,0|2,1,0]=4 391 B13R2.135 O\C=C/1\C(=O)N=C2C=CC=CN21 Amb24068486 [0,0,1,0,0,0|2,1,0]=4 392 B13R2.135 O\C=C\1/C(=O)Nc2ccccc21 Amb22494713 [0,0,1,0,0,0|1,1,1]=4 393 B13R2.135 Oc1[nH]c2ccccc2c1C=O Amb18645450 [0,0,1,0,0,0|1,1,1]=4 394 B13R2.135 Oc1[n]c2cccc[n]2c1C=O Amb25032456 [0,0,1,0,0,0|2,1,0]=4 395 B13R2.135 Oc1[s]c2ccccc2c1C=O Amb18128171 [0,0,1,0,0,0|2,1,0]=4 396 B13R2.135 Oc1oc2ccccc2c1C=O Amb24061878 [0,0,1,0,0,0|2,1,0]=4 397 B13R2.182 c1[nH]oc2cc[n]ccccc21 Amb25335469 [0,0,1,0,0,0|2,1,0]=4 398 B13R2.182 c1[nH]oc2cccccccc21 Amb24100746 [0,0,1,0,0,0|1,1,0]=3 399 B15R4.1429 C1c2oc3cccc4C1=Cc2c43 Amb24061005 [0,0,0,1,0,0|3,0,0]=4 400 B13R3.25 C1Cc2[nH]c3ccccc3c21 Amb23402084 [0,0,0,0,1,0|1,0,2]=4 401 B13R3.25 C1Cc2[s]c3ccccc3c21 Amb25205360 [0,0,0,0,1,0|2,0,1]=4 402 B13R3.25 C1Oc2[nH]c3ccccc3c21 Amb25378939 [0,0,0,0,1,0|0,1,2]=4 403 B13R3.1922 C1c2[s]ccc2-[n]3cccc31 Amb24433073 [0,0,0,0,1,0|3,0,0]=4 404 B13R3.1922 C1c2[s]ccc2-c3[s]ccc31 Amb24631897 [0,0,0,0,1,0|3,0,0]=4 405 B13R3.1922 C1c2[s]ccc2-c3cc[s]c31 Amb24544100 [0,0,0,0,1,0|3,0,0]=4 406 B13R3.1922 c1[nH]cc2[s]c3c[nH]cc3c21 Amb24610577 [0,0,0,0,1,0|3,0,0]=4 407 B13R3.1922 c1[s]cc2c3cc[s]c3[s]c21 Amb25751126 [0,0,0,0,1,0|3,0,0]=4 408 B13R3.1922 c1c[s]c2[s]c3[s]ccc3c21 Amb21954250 [0,0,0,0,1,0|3,0,0]=4 409 B13R3.1922 c1c[s]c2[s]c3cc[s]c3c21 Amb21858266 [0,0,0,0,1,0|3,0,0]=4 410 B15R3.3 C1C=CCc2[nH]c3ccccc3c21 Amb25736205 [0,0,0,0,0,1|2,0,1]=4 411 B15R3.3 C1C=CCc2[s]c3ccccc3c21 Amb25843803 [0,0,0,0,0,1|3,0,0]=4 412 B15R3.3 C1C=CSc2[n]c3ccccc3[n]21 Amb24079196 [0,0,0,0,0,1|2,0,0]=3 413 B15R3.3 C1C=C[n]2c([n]c3ccccc23)O1 Amb24093671 [0,0,0,0,0,1|2,1,0]=4 414 B15R3.3 C1C=C[n]2c([n]c3ccccc23)S1 Amb24093672 [0,0,0,0,0,1|2,0,0]=3 415 B15R3.3 C1C=Cc2c(S1)[s]c3ccccc23 Amb25712122 [0,0,0,0,0,1|2,0,0]=3 416 B15R3.3 C1C=N[n]2c([n]c3ccccc23)S1 Amb24093670 [0,0,0,0,0,1|2,0,0]=3 417 B15R3.3 C1CC=C2Nc3ccccc3C2=C1 Amb25123854 [0,0,0,0,0,1|2,0,1]=4 418 B15R3.3 C1CCSc2[nH]c3ccccc3c21 Amb24469380 [0,0,0,0,0,1|1,0,2]=4 419 B15R3.3 C1CSc2[nH]c3ccccc3c2S1 Amb21953838 [0,0,0,0,0,1|1,0,2]=4 420 B15R3.3 C1N=C[n]2c([n]c3ccccc23)O1 Amb24093677 [0,0,0,0,0,1|1,1,1]=4 421 B15R3.3 C1N=C[n]2c([n]c3ccccc23)S1 Amb24093679 [0,0,0,0,0,1|1,0,1]=3 422 B15R3.3 C1NCCc2[n]c3ccccc3[n]21 Amb25732072 [0,0,0,0,0,1|2,0,1]=4 423 B15R3.3 C1NCCc2[s]c3ccccc3c21 Amb24342462 [0,0,0,0,0,1|2,0,1]=4 424 B15R3.3 C1NCCc2c1[n]c3cccc[n]23 Amb18197933 [0,0,0,0,0,1|2,0,1]=4 425 B15R3.3 C1NCCc2c3ccccc3[nH]c21 Amb22754008 [0,0,0,0,0,1|1,0,2]=4 426 B15R3.3 C1NCCc2c3ccccc3[s]c21 Amb18129824 [0,0,0,0,0,1|2,0,1]=4 427 B15R3.3 C1NCCc2c3ccccc3oc21 Amb22728044 [0,0,0,0,0,1|2,0,1]=4 428 B15R3.3 C1NCc2c(C1)[nH]c3c2cccc3 Amb1040965 [0,0,0,0,0,1|1,0,2]=4 429 B15R3.3 C1NCc2c(C1)nc3n2cccc3 Amb17074432 [0,0,0,0,0,1|2,0,1]=4 430 B15R3.3 C1NNCc2[nH]c3ccccc3c21 Amb24341424 [0,0,0,0,0,1|1,0,2]=4 431 B15R3.3 C1OC=C[n]2c1[n]c3ccccc23 Amb24078407 [0,0,0,0,0,1|2,1,0]=4 432 B15R3.3 C1OC=N[n]2c1[n]c3ccccc23 Amb24079190 [0,0,0,0,0,1|3,0,0]=4 433 B15R3.3 C1ON=C[n]2c1[n]c3ccccc23 Amb24078399 [0,0,0,0,0,1|1,1,1]=4 434 B15R3.3 C1SC=C[n]2c1[n]c3ccccc23 Amb24078408 [0,0,0,0,0,1|2,0,0]=3 435 B15R3.3 C1SC=N[n]2c1[n]c3ccccc23 Amb24079191 [0,0,0,0,0,1|3,0,0]=4 436 B15R3.3 C1c2[n]cccc2-c3ccccc31 Amb25189883 [0,0,0,0,0,1|3,0,0]=4 437 B15R3.3 C1c2ccccc2-c3cc[n]cc31 Amb25707786 [0,0,0,0,0,1|2,0,1]=4 438 B15R3.3 C1c2ccccc2C=3CCNCC31 Amb25806145 [0,0,0,0,0,1|2,0,1]=4 439 B15R3.3 C1c2ccccc2C=3CNCCC31 Amb25047437 [0,0,0,0,0,1|2,0,1]=4 440 B15R3.3 N1CCc2c(C1)oc3c2cccc3 Amb10603350 [0,0,0,0,0,1|2,0,1]=4 441 B15R3.3 c1[n][n]2c(c[n]1)[n]c3ccccc23 Amb24432654 [0,0,0,0,0,1|2,0,1]=4 442 B15R3.3 c1[n][n]c[n]2c1[n]c3ccccc23 Amb25793448 [0,0,0,0,0,1|2,0,1]=4 443 B15R3.3 c1[n][n]cc2c1[nH]c3ccccc32 Amb24640367 [0,0,0,0,0,1|1,0,2]=4 444 B15R3.3 c1[n]cc[n]2c1[n]c3ccccc23 Amb24081980 [0,0,0,0,0,1|2,0,1]=4 445 B15R3.3 c1[n]ccc2[n]c3[nH]cccc3c21 Amb24753372 [0,0,0,0,0,1|2,0,1]=4 446 B15R3.3 c1[n]ccc2c1[nH]c3ccccc23 Amb21934670 [0,0,0,0,0,1|1,0,2]=4 447 B15R3.3 c1[n]ccc2c1[n][n]3ccccc32 Amb25831213 [0,0,0,0,0,1|2,0,1]=4 448 B15R3.3 c1[n]ccc2c3cc[nH]cc3[n]c21 Amb24742966 [0,0,0,0,0,1|2,0,0]=3 449 B15R3.3 c1[n]ccc2c3ccc[nH]c3[n]c21 Amb24724302 [0,0,0,0,0,1|2,0,1]=4 450 B15R3.3 c1[n]ccc2c3ccccc3[n][n]21 Amb25849249 [0,0,0,0,0,1|2,0,1]=4 451 B15R3.3 c1c[n]2c([n][n]1)[n]c3ccccc23 Amb24647658 [0,0,0,0,0,1|2,0,1]=4 452 B15R3.3 c1c[n]c2[nH]c3ccccc3c2[n]1 Amb22372202 [0,0,0,0,0,1|2,0,1]=4 453 B15R3.3 c1ccc2[n]c3ccccc3[n]2[n]1 Amb24082002 [0,0,0,0,0,1|3,0,0]=4 454 B15R3.3 c1ccc2c([n]1)oc3ccccc32 Amb22641129 [0,0,0,0,0,1|3,0,0]=4 455 B15R3.3 c1ccc2c([n][n]3ccccc32)[n]1 Amb24631861 [0,0,0,0,0,1|3,0,0]=4 456 B15R3.3 c1ccc2c([n]c3[nH]cccc23)[n]1 Amb25288576 [0,0,0,0,0,1|3,0,0]=4 457 B15R3.3 c1ccc2c(c1)C[13c]3[13c]2[13cH][13cH][13cH][13cH]3 Amb17614359 [0,0,0,0,0,1|3,0,0]=4 458 B15R3.3 c1ccc2c(c1)Cc3c2nccc3 Amb1056107 [0,0,0,0,0,1|3,0,0]=4 459 B15R3.3 c1ccc2c(c1)[15nH]c3c2ccc[15n]3 Amb17610508 [0,0,0,0,0,1|2,0,1]=4 460 B15R3.3 c1ccc2c(c1)[nH]c3c2cccc3 Amb1014005 [0,0,0,0,0,1|2,0,1]=4 461 B15R3.3 c1cccc2:[I+]:c3ccccc3:c21 Amb20662691 [0,0,0,0,0,1|3,0,0]=4 462 B15R3.3 c1cccc2:[I+]:c3ccccc3:c21 Amb22731765 [0,0,0,0,0,1|3,0,0]=4 463 B15R3.3 c1cccc2:c3ccccc3:[I+]:c21 Amb22731734 [0,0,0,0,0,1|3,0,0]=4 464 B15R3.3 c1cccc2[14CH2]c3ccccc3-c21 Amb22731868 [0,0,0,0,0,1|3,0,0]=4 465 B15R3.3 c1cccc2[n-]c3ccccc3c21 Amb22732472 [0,0,0,0,0,1|2,0,1]=4 466 B15R3.3 c1cccc2[n]c3NSC=C[n]3c21 Amb24590165 [0,0,0,0,0,1|2,0,0]=3 467 B15R3.3 c1cccc2[n]c3SNC=C[n]3c21 Amb25760684 [0,0,0,0,0,1|1,0,0]=2 468 B15R3.3 c1cccc2[pH]c3ccccc3c21 Amb24496398 [0,0,0,0,0,1|2,1,0]=4 469 B15R3.3 c1ccn2c(c1)nc3c2cccc3 Amb1014333 [0,0,0,0,0,1|3,0,0]=4 470 B15R3.1739 C1C=Cc2c1ccc3ccccc32 Amb19887826 [0,0,0,0,0,1|3,0,0]=4 471 B15R3.1739 C1CCc2c3ccccc3[n]cc21 Amb25360875 [0,0,0,0,0,1|2,0,1]=4 472 B15R3.1739 C1CNc2c3ccccc3[n][n]c21 Amb18198616 [0,0,0,0,0,1|3,0,0]=4 473 B15R3.1739 C1Cc2cocc2-c3ccccc31 Amb25305549 [0,0,0,0,0,1|3,0,0]=4 474 B15R3.1739 C1N=Nc2c1[n]cc3ccccc32 Amb24082885 [0,0,0,0,0,1|2,0,1]=4 475 B15R3.1739 C1N=Nc2c[n]c3ccccc3c21 Amb24364731 [0,0,0,0,0,1|1,0,2]=4 476 B15R3.1739 C1Nc2ccccc2-c3[n][n][s]c31 Amb18191055 [0,0,0,0,0,1|1,0,2]=4 477 B15R3.1739 C1Nc2ccccc2-c3[n]c[s]c31 Amb18820765 [0,0,0,0,0,1|2,0,1]=4 478 B15R3.1739 C1Nc2ccccc2-c3c[nH][n]c31 Amb18825439 [0,0,0,0,0,1|1,0,1]=3 479 B15R3.1739 C1Oc2c[n]c3ccccc3c2O1 Amb24060672 [0,0,0,0,0,1|2,1,0]=4 480 B15R3.1739 C1Sc2ccccc2-c3[n][nH]cc31 Amb22476907 [0,0,0,0,0,1|3,0,0]=4 481 B15R3.1739 c1[nH]c2c(c[n]c3ccccc32)[n]1 Amb24432894 [0,0,0,0,0,1|3,0,0]=4 482 B15R3.1739 c1[nH]c2ccccc2c3cccc31 Amb25738604 [0,0,0,0,0,1|2,0,1]=4 483 B15R3.1739 c1[nH]cc2c3ccccc3ccc21 Amb25160525 [0,0,0,0,0,1|2,0,0]=3 484 B15R3.1739 c1[n][nH]c2ccc3ccccc3c21 Amb22495896 [0,0,0,0,0,1|2,0,1]=4 485 B15R3.1739 c1[n]c2[s]ccc2c3ccccc31 Amb25103729 [0,0,0,0,0,1|1,0,0]=2 486 B15R3.1739 c1[n]c2cc[nH]c2c3ccccc31 Amb24428915 [0,0,0,0,0,1|3,0,0]=4 487 B15R3.1739 c1[n]c2ccccc2[n]3c[n][n]c31 Amb20461135 [0,0,0,0,0,1|2,0,1]=4 488 B15R3.1739 c1[n]c2ccccc2c3[nH]ccc31 Amb25780553 [0,0,0,0,0,1|3,0,0]=4 489 B15R3.1739 c1[n]c2ccccc2c3ccoc31 Amb25742647 [0,0,0,0,0,1|1,1,0]=3 490 B15R3.1739 c1[n]c2ccccc2c3occc31 Amb25223051 [0,0,0,0,0,1|3,0,0]=4 491 B15R3.1739 c1[n]c2occc2c3ccccc31 Amb23437183 [0,0,0,0,0,1|1,1,0]=3 492 B15R3.1739 c1cc2c(ccc3ccccc23)s1 Amb17666938 [0,0,0,0,0,1|2,0,0]=3 493 B15R3.1739 c1ccc2c(c1)c3cn[nH]c3CC2 Amb10569860 [0,0,0,0,0,1|2,0,1]=4 494 B15R3.1739 c1ccc2c(c1)c3n[nH]cc3CO2 Amb2430200 [0,0,0,0,0,1|3,0,0]=4 495 B15R3.1739 c1ccc2c(ccc3[s]ccc32)[n]1 Amb24714714 [0,0,0,0,0,1|3,0,0]=4 496 B15R3.1739 c1cccc2[n][n]c3ccc[n]3c21 Amb25845609 [0,0,0,0,0,1|3,0,0]=4 497 B15R3.1739 c1cccc2c3ccoc3ccc21 Amb25791543 [0,0,0,0,0,1|2,1,0]=4 498 B15R3.4266 C1C=Cc2[n]c3ccccc3[n]c21 Amb24088947 [0,0,0,0,0,1|2,0,0]=3 499 B15R3.4266 C1C=Cc2[n]c3ccccc3cc21 Amb25144554 [0,0,0,0,0,1|2,0,1]=4 500 B15R3.4266 C1C=Nc2[n]c3ccccc3[n]c21 Amb24062078 [0,0,0,0,0,1|2,0,1]=4 501 B15R3.4266 C1CCc2[n]c3ccccc3[n]c21 Amb25791550 [0,0,0,0,0,1|2,0,1]=4 502 B15R3.4266 C1CCc2[n]c3ccccc3cc21 Amb21858729 [0,0,0,0,0,1|2,0,1]=4 503 B15R3.4266 C1CNc2[n]c3ccccc3[n]c21 Amb18825438 [0,0,0,0,0,1|2,0,1]=4 504 B15R3.4266 C1N=Cc2[n]c3ccccc3[n]c21 Amb24089162 [0,0,0,0,0,1|1,0,1]=3 505 B15R3.4266 C1N=Cc2cc3ccccc3cc21 Amb24691562 [0,0,0,0,0,1|2,0,1]=4 506 B15R3.4266 C1NCc2[n]c3ccccc3[n]c21 Amb18198617 [0,0,0,0,0,1|1,0,1]=3 507 B15R3.4266 C1NCc2cc3ccccc3cc21 Amb25101455 [0,0,0,0,0,1|2,0,1]=4 508 B15R3.4266 C1OCc2[n]c3ccccc3[n]c21 Amb25350657 [0,0,0,0,0,1|2,0,1]=4 509 B15R3.4266 C1Oc2[n]c3ccccc3[n]c2O1 Amb24060670 [0,0,0,0,0,1|2,1,0]=4 510 B15R3.4266 C1SCc2[n]c3ccccc3[n]c21 Amb22053031 [0,0,0,0,0,1|2,0,1]=4 511 B15R3.4266 C1c2ccccc2N=C3NC=CN31 Amb25798182 [0,0,0,0,0,1|3,0,0]=4 512 B15R3.4266 c1[nH]cc2[n]c3ccccc3[n]c21 Amb24406563 [0,0,0,0,0,1|1,0,0]=2 513 B15R3.4266 c1[nH]cc2cc3ccccc3cc21 Amb25376921 [0,0,0,0,0,1|2,0,0]=3 514 B15R3.4266 c1[n][nH]c2Oc3ccccc3Nc21 Amb24455723 [0,0,0,0,0,1|2,0,1]=4 515 B15R3.4266 c1[n][nH]c2cc3ccccc3cc21 Amb25851607 [0,0,0,0,0,1|2,0,1]=4 516 B15R3.4266 c1[n]c2[n]c3ccccc3[n]c2o1 Amb24066865 [0,0,0,0,0,1|2,1,0]=4 517 B15R3.4266 c1[n]oc2[n]c3ccccc3[n]c21 Amb25225571 [0,0,0,0,0,1|0,1,1]=3 518 B15R3.4266 c1[s]cc2Oc3ccccc3Oc21 Amb25144110 [0,0,0,0,0,1|3,0,0]=4 519 B15R3.4266 c1c2[nH]ccc2[n]c3ccccc31 Amb25160707 [0,0,0,0,0,1|3,0,0]=4 520 B15R3.4266 c1c2[nH]ccc2cc3ccccc31 Amb25723729 [0,0,0,0,0,1|3,0,0]=4 521 B15R3.4266 c1c2c[nH]cc2[n]c3ccccc31 Amb25209985 [0,0,0,0,0,1|1,0,0]=2 522 B15R3.4266 c1c2ccccc2[n]c3occc31 Amb23437181 [0,0,0,0,0,1|1,1,0]=3 523 B15R3.4266 c1c2ccccc2oc3cccc31 Amb25113367 [0,0,0,0,0,1|3,0,0]=4 524 B15R3.4266 c1cc2[nH]c3ccccc3[n]c2[n]1 Amb25109533 [0,0,0,0,0,1|2,0,0]=3 525 B15R3.4266 c1cc2[n]c3ccccc3[n]c2[nH]1 Amb25072695 [0,0,0,0,0,1|2,0,0]=3 526 B15R3.4266 c1cc2[n]c3ccccc3[n]c2[s]1 Amb22490430 [0,0,0,0,0,1|1,0,0]=2 527 B15R3.4266 c1cc2[n]c3ccccc3[n]c2o1 Amb24081785 [0,0,0,0,0,1|1,1,0]=3 528 B15R3.4266 c1cccc2[n]c3[n]o[n]c3[n]c21 Amb24493676 [0,0,0,0,0,1|3,0,0]=4 529 B15R3.4266 c1o[n]c2cc3ccccc3cc21 Amb25212657 [0,0,0,0,0,1|3,0,0]=4 530 B15R3.4266 c1occ2[n]c3ccccc3[n]c21 Amb25208163 [0,0,0,0,0,1|2,0,0]=3 531 B12R2.1 C=C[n]1c[n]c2ccccc12 Amb20647962 [1,0,1,0,0,0|2,0,0]=4 532 B12R2.1 C=Cc1c[n][n]2ccccc21 Amb23449230 [1,0,1,0,0,0|2,0,0]=4 533 B12R2.1 C=Cc1cnc2n1cccc2 Amb17601404 [1,0,1,0,0,0|2,0,0]=4 534 B12R2.1 C=Cn1cnc2c1cccc2 Amb1035881 [1,0,1,0,0,0|2,0,0]=4 535 B12R2.1 CNc1c[nH]c2ccccc12 Amb18553874 [1,0,1,0,0,0|1,0,1]=4 536 B12R2.1 CNc1c[n]c2cccc[n]21 Amb23437245 [1,0,1,0,0,0|2,0,0]=4 537 B12R2.1 CNc1c[s]c2ccccc21 Amb23403655 [1,0,1,0,0,0|2,0,0]=4 538 B12R2.1 C\C=C/1\C=Cc2ccccc21 Amb25322411 [1,0,1,0,0,0|2,0,0]=4 539 B12R2.1 NCC1=CCc2ccccc12 Amb18560208 [1,0,1,0,0,0|1,0,1]=4 540 B12R2.1 NC[n]1c[n]c2ccccc12 Amb24078485 [1,0,1,0,0,0|1,0,1]=4 541 B12R2.1 NCc1c[nH]c2c1cccc2 Amb17603142 [1,0,1,0,0,0|0,0,2]=4 542 B12R2.1 NCc1c[nH]c2ccccc12 Amb17760648 [1,0,1,0,0,0|0,0,2]=4 543 B12R2.1 NCc1c[nH]c2ccccc12 Amb17844951 [1,0,1,0,0,0|0,0,2]=4 544 B12R2.1 NCc1c[n][n]2ccccc21 Amb22491668 [1,0,1,0,0,0|1,0,1]=4 545 B12R2.1 NCc1c[n]c2cccc[n]21 Amb20413753 [1,0,1,0,0,0|1,0,1]=4 546 B12R2.1 NCc1c[n]c2cccc[n]21 Amb22492384 [1,0,1,0,0,0|1,0,1]=4 547 B12R2.1 NCc1cnc2n1cccc2 Amb10067697 [1,0,1,0,0,0|1,0,1]=4 548 B12R2.1 NCc1cnc2n1cccc2 Amb10608545 [1,0,1,0,0,0|1,0,1]=4 549 B12R2.1 NCc1cnn2c1cccc2 Amb15701392 [1,0,1,0,0,0|1,0,1]=4 550 B12R2.1 NCc1coc2ccccc21 Amb19373967 [1,0,1,0,0,0|1,0,1]=4 551 B12R2.1 NCc1coc2ccccc21 Amb19649824 [1,0,1,0,0,0|1,0,1]=4 552 B12R2.1 NNc1c[nH]c2ccccc12 Amb25113889 [1,0,1,0,0,0|1,0,1]=4 553 B12R2.1 NNc1c[s]c2ccccc21 Amb25359511 [1,0,1,0,0,0|2,0,0]=4 554 B12R2.1 O=CC1=CCc2ccccc12 Amb18644151 [1,0,1,0,0,0|1,1,0]=4 555 B12R2.1 O=CC1C=Nc2ccccc21 Amb21952746 [1,0,1,0,0,0|0,1,1]=4 556 B12R2.1 O=C[n]1c[n]c2ccccc12 Amb24078339 [1,0,1,0,0,0|1,1,0]=4 557 B12R2.1 O=Cc1c[n-]c2ccccc21 Amb22751036 [1,0,1,0,0,0|0,1,1]=4 558 B12R2.1 O=Cc1c[nH]c2c1cccc2 Amb1147114 [1,0,1,0,0,0|0,1,1]=4 559 B12R2.1 O=Cc1c[n][n]2ccccc21 Amb18124776 [1,0,1,0,0,0|1,1,0]=4 560 B12R2.1 O=Cc1cnc2c1ccc[nH]2 Amb17614567 [1,0,1,0,0,0|1,1,0]=4 561 B12R2.1 O=Cc1coc2c1cccc2 Amb10844786 [1,0,1,0,0,0|1,1,0]=4 562 B12R2.1 O=Cc1csc2c1cccc2 Amb1157901 [1,0,1,0,0,0|1,1,0]=4 563 B12R2.1 O=Cc1o[n]c2ccccc21 Amb18831437 [1,0,1,0,0,0|1,1,0]=4 564 B12R2.1 O=Cc:1:c:[n]:c-2:[nH]:c:c:c:c21 Amb19132390 [1,0,1,0,0,0|1,1,0]=4 565 B12R2.1 O=[13CH]c1c[nH]c2c1cccc2 Amb17616072 [1,0,1,0,0,0|0,1,1]=4 566 B12R2.1 O\N=C/1\C=Nc2ccccc12 Amb25288455 [1,0,1,0,0,0|0,1,1]=4 567 B12R2.1 SC[n]1c[n]c2ccccc12 Amb24078486 [1,0,1,0,0,0|1,0,1]=4 568 B12R2.1 SCc1coc2ccccc21 Amb24405838 [1,0,1,0,0,0|1,0,1]=4 569 B12R2.1 [N-]=[N+]=C1C=Nc2ccccc12 Amb25192423 [1,0,1,0,0,0|1,0,1]=4 570 B12R2.2 C1NCC=C1c2ccccc2 Amb22059494 [1,0,1,0,0,0|1,0,1]=4 571 B12R2.2 c1[nH][n]cc1-c2ccccc2 Amb23438813 [1,0,1,0,0,0|1,0,0]=3 572 B12R2.2 c1[nH]ccc1-c2cccc[n]2 Amb20622994 [1,0,1,0,0,0|2,0,0]=4 573 B12R2.2 c1ccc(cc1)c2c[nH]cc2 Amb10606854 [1,0,1,0,0,0|1,0,0]=3 574 B12R2.2 c1ccc(cc1)c2c[nH]cn2 Amb1294343 [1,0,1,0,0,0|2,0,0]=4 575 B12R2.2 c1ccc(cc1)c2cscn2 Amb2234625 [1,0,1,0,0,0|2,0,0]=4 576 B12R2.2 c1ccc(cc1)c2n[nH]cc2 Amb15740832 [1,0,1,0,0,0|2,0,0]=4 577 B12R2.2 c1ccc(cc1)c2n[nH]cc2 Amb1818207 [1,0,1,0,0,0|2,0,0]=4 578 B12R2.2 c1ccc(cn1)c2c[nH]nc2 Amb1073677 [1,0,1,0,0,0|2,0,0]=4 579 B12R2.2 c1ccccc1-c2cc[s][n]2 Amb24376714 [1,0,1,0,0,0|2,0,0]=4 580 B12R2.2 c1nocc1-c2ccccc2 Amb17777666 [1,0,1,0,0,0|0,1,1]=4 581 B12R2.2 n1ccc(cc1)c2c[nH]nc2 Amb1014217 [1,0,1,0,0,0|2,0,0]=4 582 B12R2.32 C=Cc1[n]c2ccccc2[s]1 Amb24085073 [1,0,1,0,0,0|2,0,0]=4 583 B12R2.32 C=Cc1[n]c2ccccc2o1 Amb24602813 [1,0,1,0,0,0|2,0,0]=4 584 B12R2.32 C=Cc1cc2ccccc2o1 Amb24470459 [1,0,1,0,0,0|2,0,0]=4 585 B12R2.32 CNc1[nH]c2ccccc2[n]1 Amb19516238 [1,0,1,0,0,0|1,0,1]=4 586 B12R2.32 CNc1c[n]2ccccc2[n]1 Amb24617293 [1,0,1,0,0,0|1,0,1]=4 587 B12R2.32 CNc1cc2ccccc2[nH]1 Amb18831442 [1,0,1,0,0,0|0,0,2]=4 588 B12R2.32 CNc1nc2c([nH]1)cccc2 Amb1145755 [1,0,1,0,0,0|1,0,1]=4 589 B12R2.32 CNc1nc2c(o1)cccc2 Amb1162733 [1,0,1,0,0,0|1,0,1]=4 590 B12R2.32 CNc1nc2c(s1)cccc2 Amb219907 [1,0,1,0,0,0|1,0,1]=4 591 B12R2.32 CSC=1Cc2ccccc2N1 Amb24474025 [1,0,1,0,0,0|0,0,2]=4 592 B12R2.32 CSc1[nH]c2ccccc2[n]1 Amb18363958 [1,0,1,0,0,0|1,0,1]=4 593 B12R2.32 CSc1[nH]c2ccccc2[n]1 Amb22343423 [1,0,1,0,0,0|1,0,1]=4 594 B12R2.32 CSc1cc2ccccc2[nH]1 Amb25678622 [1,0,1,0,0,0|0,0,2]=4 595 B12R2.32 CSc1cc2ccccc2o1 Amb24101348 [1,0,1,0,0,0|1,0,1]=4 596 B12R2.32 ClSc1[n]c2ccccc2[s]1 Amb24061127 [1,0,1,0,0,0|2,0,0]=4 597 B12R2.32 NCC=1Cc2ccccc2C1 Amb25178878 [1,0,1,0,0,0|2,0,0]=4 598 B12R2.32 NCc1[nH]c2ccccc2[n]1 Amb22336415 [1,0,1,0,0,0|2,0,0]=4 599 B12R2.32 NCc1cc2c([nH]1)cccc2 Amb1934136 [1,0,1,0,0,0|1,0,1]=4 600 B12R2.32 NCc1cc2c(s1)cccc2 Amb1801549 [1,0,1,0,0,0|2,0,0]=4 601 B12R2.32 NCc1cc2c[nH]ccc2[n]1 Amb25741503 [1,0,1,0,0,0|2,0,0]=4 602 B12R2.32 NCc1cc2cccc[n]2[n]1 Amb18202295 [1,0,1,0,0,0|2,0,0]=4 603 B12R2.32 NCc1cc2cccc[n]2[n]1 Amb24069171 [1,0,1,0,0,0|2,0,0]=4 604 B12R2.32 NCc1cc2ccccc2[nH]1 Amb22587612 [1,0,1,0,0,0|1,0,1]=4 605 B12R2.32 NCc1cc2ccccc2[nH]1 Amb22756827 [1,0,1,0,0,0|1,0,1]=4 606 B12R2.32 NCc1nc2c(o1)cccc2 Amb1102725 [1,0,1,0,0,0|2,0,0]=4 607 B12R2.32 NCc1nc2c(s1)cccc2 Amb1105420 [1,0,1,0,0,0|2,0,0]=4 608 B12R2.32 NCc1nc2c(s1)cccc2 Amb1156945 [1,0,1,0,0,0|2,0,0]=4 609 B12R2.32 NCc1nc2n(c1)cccc2 Amb10072977 [1,0,1,0,0,0|2,0,0]=4 610 B12R2.32 NCc1nc2n(c1)cccc2 Amb1107174 [1,0,1,0,0,0|2,0,0]=4 611 B12R2.32 NCc1nc2n(c1)cccc2 Amb1154302 [1,0,1,0,0,0|2,0,0]=4 612 B12R2.32 NCc:1:c:c-2:c:c:c:[nH]:c2:[n]1 Amb18251305 [1,0,1,0,0,0|2,0,0]=4 613 B12R2.32 NNC=1Cc2ccccc2N1 Amb18644335 [1,0,1,0,0,0|1,0,1]=4 614 B12R2.32 NNc1cc2ccccc2[nH]1 Amb18124830 [1,0,1,0,0,0|1,0,1]=4 615 B12R2.32 NNc1cc2ccccc2[s]1 Amb25178744 [1,0,1,0,0,0|2,0,0]=4 616 B12R2.32 NNc1nc2c([nH]1)cccc2 Amb1068359 [1,0,1,0,0,0|2,0,0]=4 617 B12R2.32 NNc1nc2c(o1)cccc2 Amb1148180 [1,0,1,0,0,0|2,0,0]=4 618 B12R2.32 NNc1nc2c(s1)cccc2 Amb1101127 [1,0,1,0,0,0|2,0,0]=4 619 B12R2.32 NOc1[n]c2ccccc2[s]1 Amb24101178 [1,0,1,0,0,0|1,1,0]=4 620 B12R2.32 NOc1cc2ccccc2o1 Amb24621929 [1,0,1,0,0,0|1,1,0]=4 621 B12R2.32 SSc1[n]c2ccccc2[s]1 Amb24061130 [1,0,1,0,0,0|2,0,0]=4 622 B12R2.32 [Na]Sc1nc2c(s1)cccc2 Amb10552717 [1,0,1,0,0,0|2,0,0]=4 623 B12R2.18 C=C1C(=O)Nc2ccccc12 Amb17779246 [1,0,1,0,0,0|0,1,1]=4 624 B12R2.18 C[n]1[n]c2ccccc2c1N Amb24084319 [1,0,1,0,0,0|2,0,0]=4 625 B12R2.18 Cc1[n][n]2ccccc2c1N Amb24084878 [1,0,1,0,0,0|2,0,0]=4 626 B12R2.18 Cc1[n]c2cccc[n]2c1N Amb23403548 [1,0,1,0,0,0|2,0,0]=4 627 B12R2.18 Cc1c(N)[s]c2ccccc21 Amb21932910 [1,0,1,0,0,0|1,0,1]=4 628 B12R2.18 Cc1c(N)oc2ccccc21 Amb18202306 [1,0,1,0,0,0|1,0,1]=4 629 B12R2.18 Cn1c(N)nc2c1cccc2 Amb10561226 [1,0,1,0,0,0|1,0,1]=4 630 B12R2.18 Cn1c(S)nc2c1cccc2 Amb1104434 [1,0,1,0,0,0|1,0,1]=4 631 B12R2.18 NC1=Nc2ccccc2C1=O Amb24078927 [1,0,1,0,0,0|1,0,0]=3 632 B12R2.18 Nc1[n]c2cccc[n]2c1Br Amb18175843 [1,0,1,0,0,0|2,0,0]=4 633 B12R2.18 Nc1[n]c2ccccc2[n]1O Amb24429903 [1,0,1,0,0,0|2,0,0]=4 634 B12R2.18 Nc1[s]c2ccccc2c1Br Amb18135037 [1,0,1,0,0,0|2,0,0]=4 635 B12R2.18 Nc1[s]c2ccccc2c1Cl Amb18129257 [1,0,1,0,0,0|2,0,0]=4 636 B12R2.18 Nc1c(Br)[n]c2cccc[n]21 Amb18175844 [1,0,1,0,0,0|2,0,0]=4 637 B12R2.18 Nc1c(Br)[s]c2ccccc21 Amb18135010 [1,0,1,0,0,0|2,0,0]=4 638 B12R2.18 Nc1c(Cl)[n]c2cccc[n]21 Amb25336309 [1,0,1,0,0,0|2,0,0]=4 639 B12R2.18 Nc1c(Cl)[s]c2ccccc21 Amb18129290 [1,0,1,0,0,0|2,0,0]=4 640 B12R2.18 Nc1c2cccc[n]2[n]c1N Amb24081984 [1,0,1,0,0,0|2,0,0]=4 641 B12R2.18 Nn1c(C)nc2c1cccc2 Amb1156070 [1,0,1,0,0,0|2,0,0]=4 642 B12R2.18 Nn1c(Cl)nc2c1cccc2 Amb1082479 [1,0,1,0,0,0|2,0,0]=4 643 B12R2.18 Nn1c(N)nc2c1cccc2 Amb1147317 [1,0,1,0,0,0|2,0,0]=4 644 B12R2.18 O=C1C(=Nc2c1cccc2)Cl Amb17594117 [1,0,1,0,0,0|2,0,0]=4 645 B12R2.18 Oc1c(S)[nH]c2ccccc21 Amb24085063 [1,0,1,0,0,0|1,0,1]=4 646 B12R2.18 Oc1c(S)[s]c2ccccc21 Amb24518700 [1,0,1,0,0,0|2,0,0]=4 647 B14R2.3 CN\N=C\c1c[s]c2ccccc12 Amb25739450 [0,1,1,0,0,0|2,0,0]=4 648 B14R2.95 CNC(=N)c1coc2ccccc12 Amb24492152 [0,1,1,0,0,0|2,0,0]=4 649 B14R2.95 CNC(=O)[n]1c[n]c2ccccc12 Amb24310272 [0,1,1,0,0,0|2,0,0]=4 650 B14R2.95 CNC(=O)c1c[n][n]2ccccc21 Amb24395872 [0,1,1,0,0,0|2,0,0]=4 651 B14R2.95 CNC(=O)c1c[n]c2cccc[n]12 Amb25837700 [0,1,1,0,0,0|2,0,0]=4 652 B14R2.95 CNC(=O)c1coc2ccccc12 Amb25065021 [0,1,1,0,0,0|2,0,0]=4 653 B14R2.95 NNC(=N)[n]1c[n]c2ccccc12 Amb24534433 [0,1,1,0,0,0|2,0,0]=4 654 B14R2.95 NNC(=O)c1c[n][n]2ccccc21 Amb22754437 [0,1,1,0,0,0|2,0,0]=4 655 B14R2.95 NNC(=O)c1c[n]c2cccc[n]12 Amb24097747 [0,1,1,0,0,0|2,0,0]=4 656 B14R2.95 NNC(=S)c1c[nH]c2ccccc12 Amb25160649 [0,1,1,0,0,0|1,0,1]=4 657 B14R2.95 ONC(=O)c1c[n][n]2ccccc21 Amb25795832 [0,1,1,0,0,0|1,1,0]=4 658 B14R2.95 ONC(=O)c1c[s]c2ccccc12 Amb18330378 [0,1,1,0,0,0|1,1,0]=4 659 B14R2.14 N#Cc1c[nH]cc1c2ccccc2 Amb10564257 [0,1,1,0,0,0|1,0,1]=4 660 B14R2.14 O=Cc1[n][nH]cc1-c2ccccc2 Amb22501083 [0,1,1,0,0,0|2,0,0]=4 661 B14R2.14 O=Cc1sccc1c2ccccc2 Amb17619375 [0,1,1,0,0,0|2,0,0]=4 662 B14R2.14 OCc1[n][nH]cc1-c2ccccc2 Amb24495362 [0,1,1,0,0,0|2,0,0]=4 663 B14R2.269 Cc1[n][nH]cc1-c2cc(Br)ccc2 Amb18158792 [0,1,1,0,0,0|2,0,0]=4 664 B14R2.269 Cc1[n][nH]cc1-c2cc(Cl)ccc2 Amb24409507 [0,1,1,0,0,0|2,0,0]=4 665 B14R2.269 Cc1[n][nH]cc1-c2cc(N)ccc2 Amb18825287 [0,1,1,0,0,0|2,0,0]=4 666 B14R2.269 Cc1cccc(c1)c2c[nH]nc2N Amb2236684 [0,1,1,0,0,0|1,0,1]=4 667 B14R2.269 Cc1cccc(c1)c2ccsc2Br Amb13884526 [0,1,1,0,0,0|2,0,0]=4 668 B14R2.269 Fc1cc(ccc1)-c2cc[s]c2Cl Amb25324095 [0,1,1,0,0,0|2,0,0]=4 669 B14R2.269 Fc1cccc(c1)c2c[nH]nc2N Amb10608718 [0,1,1,0,0,0|1,0,1]=4 670 B14R2.269 Fc1cccc(c1)c2ccsc2Br Amb13884523 [0,1,1,0,0,0|2,0,0]=4 671 B14R2.277 CC=1ONC(=O)C1c2ccccc2 Amb25839218 [0,1,1,0,0,0|1,1,0]=4 672 B14R2.277 CC=1SSC(=S)C1c2ccccc2 Amb19787141 [0,1,1,0,0,0|2,0,0]=4 673 B14R2.277 Cc1[nH][n]c(Br)c1-c2ccccc2 Amb22755205 [0,1,1,0,0,0|2,0,0]=4 674 B14R2.277 Cc1[n][nH]c(C)c1-c2ccccc2 Amb18035938 [0,1,1,0,0,0|2,0,0]=4 675 B14R2.277 Cc1[n][nH]c(O)c1-c2ccccc2 Amb24456810 [0,1,1,0,0,0|2,0,0]=4 676 B14R2.277 Cc1c[nH]c(C)c1-c2ccccc2 Amb24385687 [0,1,1,0,0,0|2,0,0]=4 677 B14R2.277 Cc1c[s]c(N)c1-c2ccccc2 Amb18819907 [0,1,1,0,0,0|1,0,1]=4 678 B14R2.277 Cc1n[nH]c(c1c2ccccc2)N Amb1041317 [0,1,1,0,0,0|2,0,0]=4 679 B14R2.277 N=C1CNC(=O)N1c2ccccc2 Amb25803662 [0,1,1,0,0,0|2,0,0]=4 680 B14R2.277 N=C1NNC(=S)N1c2ccccc2 Amb19517719 [0,1,1,0,0,0|2,0,0]=4 681 B14R2.277 NC=1NNC(=O)C1c2ccccc2 Amb18048533 [0,1,1,0,0,0|1,0,1]=4 682 B14R2.277 Nc1[n][nH]c(N)c1-c2ccccc2 Amb18127280 [0,1,1,0,0,0|1,0,1]=4 683 B14R2.277 Nc1csc(c1c2ccccc2)C Amb17336145 [0,1,1,0,0,0|2,0,0]=4 684 B14R2.277 O=C1SSC(Cl)=C1c2ccccc2 Amb25780697 [0,1,1,0,0,0|2,0,0]=4 685 B14R2.277 SC=1SSC(=S)C1c2ccccc2 Amb19894944 [0,1,1,0,0,0|2,0,0]=4 686 B14R2.296 Cc1[n][nH]cc1-c2ccccc2Br Amb18736364 [0,1,1,0,0,0|2,0,0]=4 687 B14R2.296 Cc1ccccc1c2c[nH]nc2N Amb2234784 [0,1,1,0,0,0|1,0,1]=4 688 B14R2.296 Cc1ccccc1c2c[nH]nc2N Amb2237277 [0,1,1,0,0,0|1,0,1]=4 689 B14R2.296 Cc1ccccc1c2ccsc2Br Amb13884521 [0,1,1,0,0,0|2,0,0]=4 690 B14R2.296 Fc1ccccc1c2ccsc2Br Amb13884518 [0,1,1,0,0,0|2,0,0]=4 691 B14R2.296 Nc1[n][nH]cc1-c2ccccc2F Amb17659014 [0,1,1,0,0,0|1,0,1]=4 692 B14R2.296 Nc1ccccc1-c2cc[s]c2Cl Amb25163720 [0,1,1,0,0,0|2,0,0]=4 693 B14R2.598 Brc1cc(-c2ccccc2)c(Br)[s]1 Amb22353383 [0,1,1,0,0,0|2,0,0]=4 694 B14R2.598 Brc1sc(c(c1)c2ccccc2)C Amb10600995 [0,1,1,0,0,0|2,0,0]=4 695 B14R2.598 C[n]1cc(c(N)[n]1)-c2ccccc2 Amb18127087 [0,1,1,0,0,0|1,0,1]=4 696 B14R2.598 Cc1cc(c(N)[s]1)-c2ccccc2 Amb18119896 [0,1,1,0,0,0|1,0,1]=4 697 B14R2.598 Nc1sc(c(c1)c2ccccc2)C Amb17096063 [0,1,1,0,0,0|2,0,0]=4 698 B14R2.926 Brc1ccc(cc1)c2c[nH]nc2C Amb10067433 [0,1,1,0,0,0|2,0,0]=4 699 B14R2.926 Brc1ccc(cc1)c2c[nH]nc2N Amb2236682 [0,1,1,0,0,0|1,0,1]=4 700 B14R2.926 Cc1[s]ccc1-c2ccc(F)cc2 Amb25294975 [0,1,1,0,0,0|2,0,0]=4 701 B14R2.926 Cc1ccc(cc1)-c2c[s][s]c2=S Amb24097576 [0,1,1,0,0,0|2,0,0]=4 702 B14R2.926 Cc1ccc(cc1)c2c[nH]nc2N Amb2236634 [0,1,1,0,0,0|1,0,1]=4 703 B14R2.926 Cc1ccc(cc1)c2ccsc2Br Amb13884531 [0,1,1,0,0,0|2,0,0]=4 704 B14R2.926 Clc1ccc(cc1)c2c[nH]nc2N Amb2234785 [0,1,1,0,0,0|1,0,1]=4 705 B14R2.926 Fc1ccc(cc1)-c2cc[s]c2Cl Amb24658119 [0,1,1,0,0,0|2,0,0]=4 706 B14R2.926 Fc1ccc(cc1)c2ccsc2Br Amb13884528 [0,1,1,0,0,0|2,0,0]=4 707 B14R2.926 Nc1ccc(cc1)-c2c[nH][n]c2O Amb18197299 [0,1,1,0,0,0|2,0,0]=4 708 B14R2.926 Nc1ccc(cc1)C2=CSSC2=O Amb25709685 [0,1,1,0,0,0|2,0,0]=4 709 B14R2.926 Sc1[n][nH]cc1-c2ccc(Cl)cc2 Amb19886958 [0,1,1,0,0,0|2,0,0]=4 710 B14R2.4514 O=C1C(=CNC1=O)c2ccccc2 Amb25192458 [0,1,1,0,0,0|2,0,0]=4 711 B14R2.23 Cc1cccc(c1F)-c2c[nH][n]c2 Amb25820185 [0,1,1,0,0,0|2,0,0]=4 712 B14R2.23 Fc1cccc(-c2c[s]cc2)c1F Amb24360101 [0,1,1,0,0,0|2,0,0]=4 713 B14R2.23 Nc1c(Cl)cccc1-c2c[nH]cc2 Amb24094280 [0,1,1,0,0,0|1,0,1]=4 714 B14R2.23 Nc1c(F)cccc1-c2c[nH][n]c2 Amb24710630 [0,1,1,0,0,0|1,0,1]=4 715 B14R2.23 Nc1c(F)cccc1-c2c[s]cc2 Amb24740310 [0,1,1,0,0,0|1,0,1]=4 716 B14R2.23 Nc1cccc(-c2c[s]cc2)c1N Amb24648317 [0,1,1,0,0,0|1,0,1]=4 717 B14R2.98 C=Cc1ccccc1c2c[nH]nc2 Amb2389750 [0,1,1,0,0,0|2,0,0]=4 718 B14R2.98 COc1ccccc1c2c[nH]nc2 Amb17334980 [0,1,1,0,0,0|2,0,0]=4 719 B14R2.98 NCc1ccccc1-c2c[nH][n]c2 Amb18908928 [0,1,1,0,0,0|1,0,1]=4 720 B14R2.98 NCc1ccccc1-c2c[s]cc2 Amb18253039 [0,1,1,0,0,0|1,0,1]=4 721 B14R2.98 OCc1ccccc1-c2c[s]cc2 Amb24453574 [0,1,1,0,0,0|2,0,0]=4 722 B14R2.256 Brc1scc(c1)c2ccccc2C Amb10600639 [0,1,1,0,0,0|2,0,0]=4 723 B14R2.256 Brc1scc(c1)c2ccccc2F Amb10600641 [0,1,1,0,0,0|2,0,0]=4 724 B14R2.256 C[n]1cc(c[n]1)-c2ccccc2N Amb18647744 [0,1,1,0,0,0|1,0,1]=4 725 B14R2.256 C[n]1cc(cc1)-c2ccccc2N Amb25052288 [0,1,1,0,0,0|1,0,1]=4 726 B14R2.256 Cc1cc(c[s]1)-c2ccccc2N Amb25763274 [0,1,1,0,0,0|1,0,1]=4 727 B14R2.256 Cc1cc(c[s]1)-c2ccccc2O Amb24491360 [0,1,1,0,0,0|2,0,0]=4 728 B14R2.256 Cc1ccccc1-c2c[s]c(O)c2 Amb20617907 [0,1,1,0,0,0|2,0,0]=4 729 B14R2.256 Cn1ncc(c1)c2ccccc2C Amb17334889 [0,1,1,0,0,0|2,0,0]=4 730 B14R2.256 Cn1ncc(c1)c2ccccc2Cl Amb17336535 [0,1,1,0,0,0|2,0,0]=4 731 B14R2.256 Cn1ncc(c1)c2ccccc2F Amb17335105 [0,1,1,0,0,0|2,0,0]=4 732 B14R2.256 Nc1cc(c[s]1)-c2ccccc2Br Amb18154217 [0,1,1,0,0,0|2,0,0]=4 733 B14R2.256 Nc1cc(c[s]1)-c2ccccc2Cl Amb18774605 [0,1,1,0,0,0|2,0,0]=4 734 B14R2.256 Nc1scc(c1)c2ccccc2C Amb10600640 [0,1,1,0,0,0|2,0,0]=4 735 B14R2.256 Nc1scc(c1)c2ccccc2F Amb10600642 [0,1,1,0,0,0|2,0,0]=4 736 B14R2.256 Oc1cc(c[s]1)-c2ccccc2F Amb20617908 [0,1,1,0,0,0|2,0,0]=4 737 B14R2.306 Cc1cc(c(O)cc1)-c2c[s]cc2 Amb25701406 [0,1,1,0,0,0|2,0,0]=4 738 B14R2.306 Cc1ccc(c(c1)c2c[nH]nc2)C Amb17334892 [0,1,1,0,0,0|2,0,0]=4 739 B14R2.306 Nc1cc(-c2c[s]cc2)c(N)cc1 Amb25109982 [0,1,1,0,0,0|1,0,1]=4 740 B14R2.306 Nc1cc(c(O)cc1)-c2c[nH]cc2 Amb24565273 [0,1,1,0,0,0|2,0,0]=4 741 B14R2.306 Nc1ccc(Br)cc1-c2c[nH][n]c2 Amb25242590 [0,1,1,0,0,0|1,0,1]=4 742 B14R2.306 Nc1ccc(Cl)cc1-c2c[nH][n]c2 Amb25201659 [0,1,1,0,0,0|1,0,1]=4 743 B14R2.739 Cc1cc(O)c(cc1)-c2c[nH][n]c2 Amb23515375 [0,1,1,0,0,0|2,0,0]=4 744 B14R2.739 Cc1ccc(c(c1)C)c2c[nH]nc2 Amb17334893 [0,1,1,0,0,0|2,0,0]=4 745 B14R2.739 Clc1cc(Cl)c(cc1)-c2c[s]cc2 Amb24534538 [0,1,1,0,0,0|2,0,0]=4 746 B14R2.739 Clc1ccc(c(c1)Cl)c2c[nH]nc2 Amb17339929 [0,1,1,0,0,0|2,0,0]=4 747 B14R2.739 Nc1cc(Br)ccc1-c2c[nH][n]c2 Amb24517224 [0,1,1,0,0,0|1,0,1]=4 748 B14R2.739 Nc1cc(Cl)c(cc1)-c2c[s]cc2 Amb25160886 [0,1,1,0,0,0|2,0,0]=4 749 B14R2.739 Nc1cc(F)c(cc1)-c2c[s]cc2 Amb25237045 [0,1,1,0,0,0|2,0,0]=4 750 B14R2.739 Nc1cc(F)ccc1-c2c[nH][n]c2 Amb24517225 [0,1,1,0,0,0|1,0,1]=4 751 B14R2.739 Nc1cc(N)c(cc1)-c2c[n][s]c2 Amb22450199 [0,1,1,0,0,0|0,0,2]=4 752 B14R2.739 Nc1cc(N)c(cc1)-c2c[s]cc2 Amb25238731 [0,1,1,0,0,0|1,0,1]=4 753 B14R2.739 Oc1cc(Cl)ccc1-c2c[nH][n]c2 Amb23515377 [0,1,1,0,0,0|2,0,0]=4 754 B14R2.739 Oc1cc(F)c(cc1)-c2c[s]cc2 Amb25723755 [0,1,1,0,0,0|2,0,0]=4 755 B14R2.739 Oc1cc(F)ccc1-c2c[nH][n]c2 Amb23515372 [0,1,1,0,0,0|2,0,0]=4 756 B14R2.739 Oc1cc(O)c(cc1)-c2c[s]cc2 Amb25838783 [0,1,1,0,0,0|2,0,0]=4 757 B14R2.9066 Clc1cccc(Cl)c1-c2c[nH]cc2 Amb25278239 [0,1,1,0,0,0|2,0,0]=4 758 B14R2.9066 Fc1cccc(F)c1-c2c[nH][n]c2 Amb24644007 [0,1,1,0,0,0|2,0,0]=4 759 B14R2.9066 Fc1cccc(c1c2cn[nH]c2)Cl Amb17337134 [0,1,1,0,0,0|2,0,0]=4 760 B14R2.9066 Nc1cccc(Cl)c1-c2c[nH][n]c2 Amb24711752 [0,1,1,0,0,0|1,0,1]=4 761 B14R2.67 C=C=CSc1[nH]c2ccccc2[n]1 Amb25839742 [0,1,1,0,0,0|2,0,0]=4 762 B14R2.67 C=CCSc1cc2ccccc2o1 Amb24611079 [0,1,1,0,0,0|2,0,0]=4 763 B14R2.67 C=CCSc1nc2c([nH]1)cccc2 Amb1263249 [0,1,1,0,0,0|2,0,0]=4 764 B14R2.67 C=CCSc1nc2c([nH]1)cccc2 Amb16205361 [0,1,1,0,0,0|2,0,0]=4 765 B14R2.67 C=NCSc1[n]c2ccccc2[s]1 Amb25222886 [0,1,1,0,0,0|1,0,1]=4 766 B14R2.67 CCNSc1[nH]c2ccccc2[n]1 Amb24493810 [0,1,1,0,0,0|1,0,1]=4 767 B14R2.67 CCNSc1[n]c2ccccc2[s]1 Amb25375763 [0,1,1,0,0,0|1,0,1]=4 768 B14R2.67 C\C=C\Sc1[nH]c2ccccc2[n]1 Amb25258195 [0,1,1,0,0,0|2,0,0]=4 769 B14R2.67 C\C=N\Sc1[n]c2ccccc2[s]1 Amb24517191 [0,1,1,0,0,0|1,0,1]=4 770 B14R2.67 O=CCSc1[nH]c2ccccc2[n]1 Amb18330288 [0,1,1,0,0,0|2,0,0]=4 771 B14R2.67 O=CCSc1[n]c2ccccc2[s]1 Amb24091114 [0,1,1,0,0,0|2,0,0]=4 772 B14R2.67 O=CCSc1[n]c2ccccc2o1 Amb19079316 [0,1,1,0,0,0|2,0,0]=4 773 B14R2.67 O=CCSc1cc2ccccc2[nH]1 Amb25122198 [0,1,1,0,0,0|1,0,1]=4 774 B14R2.67 O=CNCc1nc2c([nH]1)cccc2 Amb1760903 [0,1,1,0,0,0|2,0,0]=4 775 B14R2.67 O=CNNc1[n]c2ccccc2o1 Amb24610961 [0,1,1,0,0,0|2,0,0]=4 776 B14R2.1129 CSc1[nH]c2ccccc2c1C=O Amb18818236 [0,1,1,0,0,0|1,0,1]=4 777 B14R2.1129 CSc1[n]c2cccc[n]2c1C=O Amb25331136 [0,1,1,0,0,0|2,0,0]=4 778 B14R2.1129 CSc1[s]c2ccccc2c1C=O Amb18131043 [0,1,1,0,0,0|2,0,0]=4 779 B14R2.1129 CSc1oc2ccccc2c1C=O Amb18651229 [0,1,1,0,0,0|2,0,0]=4 780 B14R2.1129 N\N=C\1/C(NN)=Nc2ccccc21 Amb24379726 [0,1,1,0,0,0|2,0,0]=4 781 B14R2.1129 OSc1[nH]c2ccccc2c1C=O Amb24642549 [0,1,1,0,0,0|1,0,1]=4 782 B14R2.19 Brc1ccc(Cc2ccccc2)[s]1 Amb24756639 [0,1,1,0,0,0|2,0,0]=4 783 B14R2.19 CC1=CS\C(\N1)=N\c2ccccc2 Amb22520688 [0,1,1,0,0,0|2,0,0]=4 784 B14R2.19 Cc1[nH]nc(c1)Cc2ccccc2 Amb17232888 [0,1,1,0,0,0|2,0,0]=4 785 B14R2.19 Cc1ccc(Cc2ccccc2)[s]1 Amb24362945 [0,1,1,0,0,0|2,0,0]=4 786 B14R2.19 NC1=N\C(=N/c2ccccc2)\SS1 Amb20665099 [0,1,1,0,0,0|2,0,0]=4 787 B14R2.19 Nc1[nH]nc(c1)Cc2ccccc2 Amb17232959 [0,1,1,0,0,0|2,0,0]=4 788 B14R2.19 Nc1c[s]c(Cc2ccccc2)c1 Amb18143820 [0,1,1,0,0,0|2,0,0]=4 789 B14R2.19 Nc1cc(Cc2ccccc2)[s][n]1 Amb25305011 [0,1,1,0,0,0|1,0,1]=4 790 B14R2.19 O=C1C=C(Cc2ccccc2)NN1 Amb25299854 [0,1,1,0,0,0|2,0,0]=4 791 B14R2.19 O=C1C=C(Nc2ccccc2)NN1 Amb22049648 [0,1,1,0,0,0|1,0,1]=4 792 B14R2.19 O=C1CSC(=C1)Nc2ccccc2 Amb25365169 [0,1,1,0,0,0|1,0,1]=4 793 B14R2.19 O=C1CS\C(=N\c2ccccc2)\N1 Amb2527865 [0,1,1,0,0,0|2,0,0]=4 794 B14R2.30 Brc1cc[s]c1Cc2ccccc2 Amb25155475 [0,1,1,0,0,0|2,0,0]=4 795 B14R2.30 Cc1[nH]ccc1Sc2ccccc2 Amb25350236 [0,1,1,0,0,0|2,0,0]=4 796 B14R2.30 ClC/1=NSS\C1=N/c2ccccc2 Amb19814240 [0,1,1,0,0,0|2,0,0]=4 797 B14R2.30 Nc1cc[s]c1Cc2ccccc2 Amb18650282 [0,1,1,0,0,0|2,0,0]=4 798 B14R2.30 Nc1cc[s]c1Oc2ccccc2 Amb19929915 [0,1,1,0,0,0|2,0,0]=4 799 B14R2.50 Cc1ccccc1Cc2cc[nH][n]2 Amb20241560 [0,1,1,0,0,0|2,0,0]=4 800 B14R2.50 Nc1ccccc1Cc2cc[nH][n]2 Amb18825285 [0,1,1,0,0,0|2,0,0]=4 801 B14R2.50 Nc1ccccc1Cc2cccs2 Amb17139234 [0,1,1,0,0,0|2,0,0]=4 802 B14R2.50 Nc1ccccc1[SH2]c2ccc[s]2 Amb18540867 [0,1,1,0,0,0|2,0,0]=4 803 B14R2.50 Oc1ccccc1Cc2ccc[s]2 Amb24609370 [0,1,1,0,0,0|2,0,0]=4 804 B14R2.50 Oc1ccccc1Nc2cc[nH][n]2 Amb25858254 [0,1,1,0,0,0|1,0,1]=4 805 B14R2.72 Cc1ccc(cc1)Nc2ccc[s]2 Amb25039976 [0,1,1,0,0,0|1,0,1]=4 806 B14R2.72 Cc1ccc(cc1)Sc2c[nH]cc2 Amb25350475 [0,1,1,0,0,0|2,0,0]=4 807 B14R2.72 Clc1ccc(cc1)Sc2c[nH]cc2 Amb25095736 [0,1,1,0,0,0|2,0,0]=4 808 B14R2.72 Clc1ccc(cc1)[I+]c2ccc[s]2 Amb22731580 [0,1,1,0,0,0|2,0,0]=4 809 B14R2.72 Fc1ccc(cc1)Cc2cccs2 Amb10841920 [0,1,1,0,0,0|2,0,0]=4 810 B14R2.72 Nc1ccc(Cc2cc[nH][n]2)cc1 Amb18197932 [0,1,1,0,0,0|2,0,0]=4 811 B14R2.72 Nc1ccc(cc1)Cc2cccs2 Amb10982468 [0,1,1,0,0,0|2,0,0]=4 812 B14R2.72 Nc1ccc(cc1)Sc2cccs2 Amb17339395 [0,1,1,0,0,0|2,0,0]=4 813 B14R2.72 Nc1ccc(cc1)[SH2]c2ccc[s]2 Amb18540866 [0,1,1,0,0,0|2,0,0]=4 814 B14R2.72 Oc1ccc(Cc2ccc[s]2)cc1 Amb18129862 [0,1,1,0,0,0|2,0,0]=4 815 B14R2.72 Oc1ccc(cc1)Sc2ccc[s]2 Amb24492679 [0,1,1,0,0,0|2,0,0]=4 816 B14R2.114 ClC(c1cc[n][s]1)c2ccccc2 Amb25827597 [0,1,1,0,0,0|1,0,1]=4 817 B14R2.114 ClC(c1ccc[s]1)c2ccccc2 Amb25852339 [0,1,1,0,0,0|2,0,0]=4 818 B14R2.114 NC(c1cc[n][s]1)c2ccccc2 Amb24586089 [0,1,1,0,0,0|1,0,1]=4 819 B14R2.114 NC(c1ccc[s]1)c2ccccc2 Amb22586398 [0,1,1,0,0,0|2,0,0]=4 820 B14R2.114 O=C(c1cccs1)c2ccccc2 Amb1014215 [0,1,1,0,0,0|2,0,0]=4 821 B14R2.114 O=S(c1c[nH]cc1)c2ccccc2 Amb25270106 [0,1,1,0,0,0|2,0,0]=4 822 B14R2.716 Nc1cc(Cc2cc[nH][n]2)ccc1 Amb18197931 [0,1,1,0,0,0|2,0,0]=4 823 B14R2.716 Nc1cc(ccc1)Sc2ccc[s]2 Amb24643295 [0,1,1,0,0,0|2,0,0]=4 824 B14R2.716 Nc1cccc(c1)Cc2cccs2 Amb17139233 [0,1,1,0,0,0|2,0,0]=4 825 B14R2.642 Cc1[n]c2cccc[n]2c1C(N)=O Amb19121461 [0,1,1,0,0,0|2,0,0]=4 826 B14R2.642 Cc1[s]c2ccccc2c1C(N)=O Amb24656695 [0,1,1,0,0,0|2,0,0]=4 827 B14R2.642 Cc1oc2ccccc2c1C(N)=N Amb25072878 [0,1,1,0,0,0|2,0,0]=4 828 B14R2.642 NC(=O)c1c(O)[n]c2cccc[n]21 Amb25305386 [0,1,1,0,0,0|1,1,0]=4 829 B14R2.642 NC(=S)c1c(C)[nH]c2c1cccc2 Amb17086699 [0,1,1,0,0,0|1,0,1]=4 830 B14R2.642 NC(=S)c1c(C)nc2n1cccc2 Amb1134128 [0,1,1,0,0,0|2,0,0]=4 831 B14R2.642 N\C(\O)=C/1\C(=O)Sc2ccccc21 Amb25038920 [0,1,1,0,0,0|1,1,0]=4 832 B14R2.642 Nc1[n]c2ccccc2[n]1C(N)=O Amb25109905 [0,1,1,0,0,0|2,0,0]=4 833 B14R2.642 Nc1[s]c2ccccc2c1C(N)=O Amb25815173 [0,1,1,0,0,0|2,0,0]=4 834 B14R2.642 OC(=O)c1c(S)[n]c2cccc[n]21 Amb19042461 [0,1,1,0,0,0|2,0,0]=4 835 B14R2.4220 Nc1cccc2c(C=O)c(S)[s]c21 Amb24575503 [0,1,1,0,0,0|2,0,0]=4 836 B14R2.4220 O=Cc1c(S)[s]c2c(Cl)cccc21 Amb24579812 [0,1,1,0,0,0|2,0,0]=4 837 B14R2.4220 O=Cc1c(S)[s]c2c(I)cccc21 Amb24584958 [0,1,1,0,0,0|2,0,0]=4 838 B14R2.19007 O=Cc1c(S)[s]c2cccc(Cl)c21 Amb24575509 [0,1,1,0,0,0|2,0,0]=4 839 B14R2.19008 Cc1cc2c(C=O)c(S)[s]c2cc1 Amb25203457 [0,1,1,0,0,0|2,0,0]=4 840 B14R2.19008 NCC=1C(=O)N=C2C=CC(F)=CC21 Amb22001505 [0,1,1,0,0,0|0,1,1]=4 841 B14R2.19008 N\C=C/1\C(=O)Nc2ccc(Cl)cc21 Amb25744003 [0,1,1,0,0,0|0,1,1]=4 842 B14R2.19008 Nc1ccc2NC(=O)\C(=C\N)\c2c1 Amb25097196 [0,1,1,0,0,0|0,1,1]=4 843 B14R2.19008 O=Cc1c(S)[s]c2ccc(F)cc21 Amb25245530 [0,1,1,0,0,0|2,0,0]=4 844 B14R2.19008 Oc1cc2c(C=O)c(S)[s]c2cc1 Amb24621962 [0,1,1,0,0,0|2,0,0]=4 845 B16R3.2583 O=C1C=C2C(Cc3ccccc23)=NN1 Amb24593241 [0,1,0,0,0,1|2,0,0]=4 846 B16R3.2583 O=C1C[n]2c(NN1)[n]c3ccccc23 Amb24391730 [0,1,0,0,0,1|2,0,0]=4 847 B16R3.2583 O=C1C[n]2c3ccccc3[n]c2CN1 Amb22904230 [0,1,0,0,0,1|2,0,0]=4 848 B16R3.2583 O=C1NN=C2Nc3ccccc3C2=N1 Amb24568915 [0,1,0,0,0,1|1,0,1]=4 849 B16R3.2637 N=C1N=Cc2c([nH]c3ccccc23)S1 Amb24720569 [0,1,0,0,0,1|0,0,2]=4 850 B16R3.2637 S=C1NNC=2C(N=C3C=CC=CC32)=N1 Amb20635586 [0,1,0,0,0,1|2,0,0]=4 851 B16R3.2637 Sc1[nH]nc2c(n1)nc3c2cccc3 Amb1265364 [0,1,0,0,0,1|2,0,0]=4 852 B16R3.3329 CC1NC=Cc2c1[nH]c3ccccc23 Amb25055830 [0,1,0,0,0,1|1,0,1]=4 853 B16R3.3329 Clc1[nH]ccc2c1[n]c3ccccc32 Amb24730105 [0,1,0,0,0,1|1,0,0]=3 854 B16R3.3329 O=C1NC=Cc2c1[s]c3ccccc23 Amb24383103 [0,1,0,0,0,1|2,0,0]=4 855 B16R3.3329 O=C1NC=Nc2c1[nH]c3ccccc32 Amb19955122 [0,1,0,0,0,1|1,0,1]=4 856 B16R3.3329 O=C1NC=Nc2c1[n]c3cccc[n]32 Amb18631766 [0,1,0,0,0,1|2,0,0]=4 857 B16R3.3329 O=C1NC=Nc2c1[s]c3ccccc32 Amb19747148 [0,1,0,0,0,1|2,0,0]=4 858 B16R3.3329 O=C1NC=Nc2c1oc3ccccc32 Amb18532464 [0,1,0,0,0,1|2,0,0]=4 859 B16R3.3329 O=C1NN=C[n]2c1[n]c3ccccc23 Amb20407267 [0,1,0,0,0,1|2,0,0]=4 860 B16R3.3329 O=C1NN=Cc2c1[nH]c3ccccc23 Amb18528728 [0,1,0,0,0,1|1,0,1]=4 861 B16R3.3329 O=C1NN=Cc2c1oc3ccccc23 Amb20239403 [0,1,0,0,0,1|2,0,0]=4 862 B16R3.3329 O=c1[nH]cnc2c1[nH]c3c2cccc3 Amb1035463 [0,1,0,0,0,1|1,0,1]=4 863 B16R3.3329 O=c1[nH]cnc2c1oc3c2cccc3 Amb1039838 [0,1,0,0,0,1|2,0,0]=4 864 B16R3.3329 OC1NC=Nc2c1[s]c3ccccc32 Amb24277085 [0,1,0,0,0,1|2,0,0]=4 865 B16R3.3329 S=C1NC=Nc2c1[nH]c3ccccc32 Amb19860388 [0,1,0,0,0,1|1,0,1]=4 866 B16R3.3329 S=C1NC=Nc2c1oc3ccccc32 Amb18532465 [0,1,0,0,0,1|2,0,0]=4 867 B16R3.3329 S=C1NN=Cc2c1[nH]c3ccccc23 Amb18528729 [0,1,0,0,0,1|1,0,1]=4 868 B16R3.3329 S=C1NNC=C2C1=Nc3ccccc23 Amb25776250 [0,1,0,0,0,1|1,0,0]=3 869 B16R3.27838 Cc1[nH]ccc2[n]c3ccccc3c21 Amb24400001 [0,1,0,0,0,1|1,0,0]=3 870 B16R3.27838 O=C1CCSC2=C1c3ccccc3C2 Amb2427529 [0,1,0,0,0,1|2,0,0]=4 871 B16R3.27838 O=C1CNCc2[nH]c3ccccc3c21 Amb24597002 [0,1,0,0,0,1|1,0,1]=4 872 B16R3.27838 O=C1NC=Cc2[s]c3ccccc3c21 Amb24506427 [0,1,0,0,0,1|2,0,0]=4 873 B16R3.27838 O=C1NC=Cc2oc3ccccc3c21 Amb22354962 [0,1,0,0,0,1|2,0,0]=4 874 B16R3.27838 O=C1NC=Nc2[nH]c3ccccc3c21 Amb22365577 [0,1,0,0,0,1|1,0,1]=4 875 B16R3.27838 O=C1NC=Nc2oc3ccccc3c21 Amb19901507 [0,1,0,0,0,1|2,0,0]=4 876 B16R3.27838 O=C1NCC[n]2[n]c3ccccc3c21 Amb25054759 [0,1,0,0,0,1|2,0,0]=4 877 B16R3.27838 O=C1NCCc2[nH]c3ccccc3c21 Amb25324951 [0,1,0,0,0,1|1,0,1]=4 878 B16R3.27838 O=C1NCCc2oc3ccccc3c21 Amb24674291 [0,1,0,0,0,1|2,0,0]=4 879 B16R3.27838 O=C1NCNc2[n]c3ccccc3[n]21 Amb24754387 [0,1,0,0,0,1|2,0,0]=4 880 B16R3.27838 S=C1NC=Nc2[s]c3ccccc3c21 Amb25123922 [0,1,0,0,0,1|2,0,0]=4 881 B16R3.27838 S=C1NCCc2[nH]c3ccccc3c21 Amb25290228 [0,1,0,0,0,1|1,0,1]=4 882 B16R3.27838 S=C1NCCc2[n]c3ccccc3[n]21 Amb21952764 [0,1,0,0,0,1|2,0,0]=4 883 B16R3.335 Nc1[n]c2c([n]cc3ccccc32)[s]1 Amb23403180 [0,1,0,0,0,1|2,0,0]=4 884 B16R3.335 Nc1[n]c2c(c[n]c3ccccc32)[s]1 Amb25785689 [0,1,0,0,0,1|2,0,0]=4 885 B16R3.335 O=C1Nc2c([n]cc3ccccc32)S1 Amb25165944 [0,1,0,0,0,1|2,0,0]=4 886 B16R3.2620 Clc1[nH][n]c2c1c[n]c3ccccc32 Amb25856360 [0,1,0,0,0,1|2,0,0]=4 887 B16R3.3350 Cc1cccc-2c1NCc3[n][nH]cc23 Amb18822468 [0,1,0,0,0,1|1,0,1]=4 888 B16R3.3350 Fc1cccc-2c1NCc3[n][nH]cc23 Amb18820563 [0,1,0,0,0,1|1,0,1]=4 889 B16R3.3510 O=C1Nc2ccccc2-c3cc[s]c31 Amb25326056 [0,1,0,0,0,1|1,0,1]=4 890 B16R3.11020 Fc1ccc2NCc3[n][nH]cc3-c2c1 Amb18820558 [0,1,0,0,0,1|1,0,1]=4 891 B16R3.11020 S=C1C=Cc2[n]cc3[s]ccc3c2N1 Amb25049255 [0,1,0,0,0,1|2,0,0]=4 892 B16R3.13490 Nc1[n]c2SCCc2c3ccccc31 Amb25077269 [0,1,0,0,0,1|1,0,1]=4 893 B16R3.13490 O=C1Nc2[s]ccc2-c3ccccc31 Amb19134089 [0,1,0,0,0,1|1,0,1]=4 894 B16R3.13490 O=C1Oc2[n][nH]cc2-c3ccccc31 Amb19942256 [0,1,0,0,0,1|2,0,0]=4 895 B16R3.17392 Cc1[nH][n]c2CNc3ccccc3-c21 Amb18822488 [0,1,0,0,0,1|1,0,1]=4 896 B16R3.17392 Cc1nsc2c1c3ccccc3cc2 Amb16752954 [0,1,0,0,0,1|1,0,1]=4 897 B16R3.17392 Nc1o[n]c2c[n]c3ccccc3c21 Amb25360868 [0,1,0,0,0,1|2,0,0]=4 898 B16R3.17392 O=C1CSc2ccc3ccccc3c21 Amb24667654 [0,1,0,0,0,1|2,0,0]=4 899 B16R3.17392 O=C1NN=C2C=Nc3ccccc3N21 Amb19852874 [0,1,0,0,0,1|2,0,0]=4 900 B16R3.17392 O=C1NN=C2N=Nc3ccccc3N21 Amb19665322 [0,1,0,0,0,1|2,0,0]=4 901 B16R3.17392 S=C1NN=C2N=Nc3ccccc3N21 Amb19665321 [0,1,0,0,0,1|2,0,0]=4 902 B16R3.2273 Cc1cc2[n]c3ccccc3[n]c2[nH]1 Amb25287385 [0,1,0,0,0,1|2,0,0]=4 903 B16R3.2273 Clc1cc2cc3ccccc3[n]c2[nH]1 Amb24336685 [0,1,0,0,0,1|2,0,0]=4 904 B16R3.2273 Nc1[n]c2[n]c3ccccc3[n]c2[s]1 Amb20659738 [0,1,0,0,0,1|2,0,0]=4 905 B16R3.2273 Nc1[n]c2cc3ccccc3[n]c2[s]1 Amb25824718 [0,1,0,0,0,1|2,0,0]=4 906 B16R3.2273 O=C1Nc2[n]c3ccccc3[n]c2S1 Amb25783741 [0,1,0,0,0,1|2,0,0]=4 907 B16R3.2754 Cc1c2CNCc2nc3c1cccc3 Amb17319884 [0,1,0,0,0,1|1,0,1]=4 908 B16R3.2754 Cc1c2cc[nH]c2[n]c3ccccc31 Amb25181789 [0,1,0,0,0,1|2,0,0]=4 909 B16R3.2754 Cc1c2ccoc2[n]c3ccccc31 Amb24581204 [0,1,0,0,0,1|1,1,0]=4 910 B16R3.2754 Clc1c2cc[nH]c2[n]c3ccccc31 Amb24336644 [0,1,0,0,0,1|2,0,0]=4 911 B16R3.2754 Clc1c2ccoc2[n]c3ccccc31 Amb25674792 [0,1,0,0,0,1|1,1,0]=4 912 B16R3.2754 Nc1c2ccoc2[n]c3ccccc31 Amb25085436 [0,1,0,0,0,1|1,1,0]=4 913 B16R3.2754 O=C1c2ccccc2Cc3[s]ccc31 Amb25843842 [0,1,0,0,0,1|2,0,0]=4 914 B16R3.2754 Oc1c2ccccc2cc3[s]ccc31 Amb25093795 [0,1,0,0,0,1|2,0,0]=4 915 B16R3.2754 [O-][n+]1c2c[n][nH]c2[n]c3ccccc13 Amb22478099 [0,1,0,0,0,1|1,0,1]=4 916 B16R3.10840 Brc1cc2cc3CNCc3[n]c2cc1 Amb18706238 [0,1,0,0,0,1|1,0,1]=4 917 B16R3.10840 Cc1cc2[n]c3[s]ccc3cc2cc1 Amb24086803 [0,1,0,0,0,1|1,0,0]=3 918 B16R3.17428 Brc1n[nH]c2c1nc3ccccc3n2 Amb2389978 [0,1,0,0,0,1|1,0,1]=4 919 B16R3.17428 Cc1[n][nH]c2[n]c3ccccc3cc21 Amb24069562 [0,1,0,0,0,1|1,0,1]=4 920 B16R3.17428 Cc1[n][s]c2[n]c3ccccc3cc21 Amb24102354 [0,1,0,0,0,1|0,0,1]=3 921 B16R3.17428 Cc1c[nH]c2[n]c3ccccc3[n]c21 Amb23536221 [0,1,0,0,0,1|2,0,0]=4 922 B16R3.17428 Cn1ncc2c1nc3ccccc3c2 Amb1152112 [0,1,0,0,0,1|1,0,1]=4 923 B16R3.17428 Nc1n[nH]c2c1cc3ccccc3n2 Amb1080953 [0,1,0,0,0,1|1,0,1]=4 924 B16R3.17428 Nc1noc2c1cc3ccccc3n2 Amb17064797 [0,1,0,0,0,1|0,1,1]=4 925 B16R3.17428 Nc1onc2c1cc3ccccc3n2 Amb17064834 [0,1,0,0,0,1|2,0,0]=4 926 B16R3.17428 O=C1CSc2c1cc3ccccc3c2 Amb17595312 [0,1,0,0,0,1|2,0,0]=4 927 B16R3.17428 O=C1NCc2[n]c3ccccc3cc21 Amb24090947 [0,1,0,0,0,1|1,0,0]=3 928 B16R3.17428 O=C1NCc2cc3ccccc3[n]c21 Amb25277243 [0,1,0,0,0,1|1,0,1]=4 929 B16R3.17428 O=C1NN=C2Oc3ccccc3C=C21 Amb21948630 [0,1,0,0,0,1|2,0,0]=4 930 B16R3.17428 O=C1NNC=2Nc3ccccc3SC21 Amb24347018 [0,1,0,0,0,1|1,0,1]=4 931 B16R3.17428 O=C1OCc2[n]c3ccccc3cc21 Amb24081818 [0,1,0,0,0,1|2,0,0]=4 932 B16R3.17428 Oc1[n][nH]c2[n]c3ccccc3cc21 Amb22483754 [0,1,0,0,0,1|1,0,1]=4 933 B16R3.17428 Oc1n[nH]c2c1nc3ccccc3n2 Amb2390022 [0,1,0,0,0,1|1,0,1]=4 934 B16R3.17428 Oc1noc2c1nc3ccccc3n2 Amb2389961 [0,1,0,0,0,1|0,1,1]=4 935 B16R3.17428 S=C1NCc2[n]c3ccccc3cc21 Amb25806048 [0,1,0,0,0,1|1,0,0]=3 936 B16R3.17428 S=C1NCc2cc3ccccc3[n]c21 Amb24375409 [0,1,0,0,0,1|1,0,1]=4 937 B16R3.1533 COc1cc2[nH]c3[s][n]cc3c2cc1 Amb24336513 [0,2,0,0,0,0|0,0,2]=4 938 B16R3.11418 Cc1ccc2c(c1)[nH]c3CNC(=O)c23 Amb25342184 [0,2,0,0,0,0|1,0,1]=4 939 B16R3.11418 O=C1NCc2[nH]c3cc(Br)ccc3c21 Amb18701042 [0,2,0,0,0,0|1,0,1]=4 940 B16R3.5908 CO[n]1c2[s][n]cc2c3ccccc13 Amb25205135 [0,2,0,0,0,0|0,0,2]=4 941 B16R3.1272 CCc1cc2c([nH]c3ccccc23)[s]1 Amb25125815 [0,2,0,0,0,0|1,0,1]=4 942 B16R3.1272 O=Cc1c[n]2c([n]c3ccccc23)[s]1 Amb18786989 [0,2,0,0,0,0|2,0,0]=4 943 B16R3.1272 O=Cc1cc2c([nH]c3ccccc23)[s]1 Amb18675049 [0,2,0,0,0,0|1,0,1]=4 944 B16R3.27163 CN1Sc2[n]c3ccccc3[n]2C1=O Amb24704423 [0,2,0,0,0,0|1,0,0]=3 945 B16R3.27163 NC1Sc2[n]c3ccccc3[n]2C1=O Amb25313116 [0,2,0,0,0,0|2,0,0]=4 946 B16R3.20244 O=C1NC(=O)c2[s]c3ccccc3c12 Amb25035888 [0,2,0,0,0,0|2,0,0]=4 947 B16R3.18487 Cc1ccc2[nH]c3CNC(=O)c3c2c1 Amb25303944 [0,2,0,0,0,0|1,0,1]=4 948 B16R3.48523 BrCc1[n][s]c2[n]c3ccccc3[n]21 Amb25800837 [0,2,0,0,0,0|1,0,1]=4 949 B16R3.48523 CSc1[n][s]c2[n]c3ccccc3[n]12 Amb25127792 [0,2,0,0,0,0|1,0,1]=4 950 B16R3.48523 ClCc1c[s]c2[n]c3ccccc3[n]21 Amb25276564 [0,2,0,0,0,0|2,0,0]=4 951 B16R3.49150 O=Cc1cc2c(cc1)[n]c3[s]cc[n]23 Amb18786987 [0,2,0,0,0,0|2,0,0]=4 952 B12R1.3 CN\C=C(/C=S)\c1ccccc1 Amb24637960 [0,0,2,0,0,0|2,0,0]=4 953 B12R1.3 CN\C=C(\C=S)/c1ccccc1 Amb24642034 [0,0,2,0,0,0|2,0,0]=4 954 B12R1.3 ON/C=C(\C=O)c1ccccc1 Amb17777667 [0,0,2,0,0,0|1,1,0]=4 955 B12R1.8 C=CCN\C=N\c1ccccc1 Amb25105373 [0,0,2,0,0,0|2,0,0]=4 956 B12R1.478 CC(=O)C(/c1ccccc1)=C\N Amb17777807 [0,0,2,0,0,0|1,1,0]=4 957 B12R1.478 CC(=O)\C(=C\N)\c1ccccc1 Amb25238332 [0,0,2,0,0,0|1,1,0]=4 958 B14R3.2534 C1Cc2[n]c3ccccc3cc21 Amb24654835 [0,0,1,1,0,0|2,0,0]=4 959 B14R3.1226 c1c2c3o[nH]cc3ccccc21 Amb24100751 [0,0,1,1,0,0|1,1,0]=4 960 B14R3.3022 c1[nH]oc2[n]c3cccc3cc21 Amb25817141 [0,0,1,1,0,0|0,1,0]=3 961 B14R3.3022 c1[nH]oc2cc3cccc3cc21 Amb24100783 [0,0,1,1,0,0|1,1,0]=4 962 B14R3.3022 c1c2o[nH]cc2[n]c3cccc31 Amb24593231 [0,0,1,1,0,0|2,0,0]=4 963 B14R3.3046 c1[nH]oc2c3cccc3ccc21 Amb24100782 [0,0,1,1,0,0|1,1,0]=4 964 B14R3.3046 c1[n]c2o[nH]cc2c3c[n]cc31 Amb25243252 [0,0,1,1,0,0|1,1,0]=4 965 B12R2.41 C1=Nc2ccc[n]c2C=CO1 Amb24082022 [0,0,1,0,1,0|1,1,0]=4 966 B12R2.41 C1=Nc2ccccc2C=CO1 Amb25808170 [0,0,1,0,1,0|0,1,0]=3 967 B12R2.41 C1C=Cc2ccccc2C=C1 Amb24425441 [0,0,1,0,1,0|2,0,0]=4 968 B12R2.41 C1C=Nc2ccccc2N=C1 Amb22080089 [0,0,1,0,1,0|2,0,0]=4 969 B12R2.41 C1N=Cc2c(C=C1)cccc2 Amb10559947 [0,0,1,0,1,0|2,0,0]=4 970 B12R2.41 C=1NC=CC=C2C=CC=CC21 Amb24351660 [0,0,1,0,1,0|2,0,0]=4 971 B12R2.41 C=1OC=CN=C2C=CC=CC21 Amb25142127 [0,0,1,0,1,0|2,0,0]=4 972 B12R2.41 C=1ON=CC=C2C=CC=CC21 Amb24437474 [0,0,1,0,1,0|0,1,1]=4 973 B12R2.41 c1cccc2NC=CC=Cc21 Amb25340361 [0,0,1,0,1,0|1,0,1]=4 974 B12R2.41 c1cccc2NC=CC=Nc21 Amb24581119 [0,0,1,0,1,0|2,0,0]=4 975 B14R2.112 CNCc1cnc2c(c1)cccc2 Amb1995108 [0,0,1,0,0,1|1,0,1]=4 976 B14R2.112 C\C=C\c1cc2ccccc2[n]c1 Amb24407222 [0,0,1,0,0,1|2,0,0]=4 977 B14R2.112 NNCc1cc2ccccc2[n]c1 Amb20669581 [0,0,1,0,0,1|1,0,1]=4 978 B14R2.112 NNCc1cnc2c(c1)cccc2 Amb10844879 [0,0,1,0,0,1|1,0,1]=4 979 B14R2.112 N\N=C\c1c[n]c2ccccc2[n]1 Amb25728773 [0,0,1,0,0,1|1,0,1]=4 980 B14R2.112 O=C\C=C\1/C=Nc2ccccc2N1 Amb24651256 [0,0,1,0,0,1|1,1,0]=4 981 B14R2.112 ON=Cc1c[n]c2ccccc2c1 Amb24082059 [0,0,1,0,0,1|0,1,1]=4 982 B14R2.112 O\C=C\c1c[n]c2ccccc2[n]1 Amb25356387 [0,0,1,0,0,1|1,1,0]=4 983 B14R2.112 O\N=C\c1c[n]c2ccccc2c1 Amb24385393 [0,0,1,0,0,1|0,1,1]=4 984 B14R2.112 O\N=C\c1cnc2c(n1)cccc2 Amb1935050 [0,0,1,0,0,1|0,1,1]=4 985 B14R2.112 [N-]=[N+]=Cc1c[n]c2ccccc2[n]1 Amb25364290 [0,0,1,0,0,1|1,0,1]=4 986 B14R2.112 [N-]=[N+]=Cc1c[n]c2ccccc2c1 Amb24759347 [0,0,1,0,0,1|1,0,1]=4 987 B14R2.7150 CNCc1ccnc2c1cccc2 Amb10124833 [0,0,1,0,0,1|1,0,1]=4 988 B14R2.7150 C\N=C\c1cc[n]c2ccccc12 Amb24596859 [0,0,1,0,0,1|1,0,1]=4 989 B14R2.7150 Cl\C=C/c1cc[n]c2ccccc21 Amb24634021 [0,0,1,0,0,1|2,0,0]=4 990 B14R2.7150 NNCc1cc[n]c2ccccc21 Amb24641338 [0,0,1,0,0,1|1,0,1]=4 991 B14R2.7150 N\C=C\c1cc[n]c2ccccc21 Amb24656556 [0,0,1,0,0,1|2,0,0]=4 992 B14R2.7150 N\N=C\c1c[n]cc2ccccc21 Amb24408116 [0,0,1,0,0,1|1,0,1]=4 993 B14R2.7150 N\N=C\c1cc[n]c2ccccc12 Amb25205287 [0,0,1,0,0,1|1,0,1]=4 994 B14R2.7150 ONCc1c[n]cc2ccccc21 Amb25153768 [0,0,1,0,0,1|0,1,1]=4 995 B14R2.7150 O\N=C\c1[n]c[n]c2ccccc12 Amb24664830 [0,0,1,0,0,1|0,1,1]=4 996 B14R2.7150 O\N=C\c1c[n]cc2ccccc21 Amb25192640 [0,0,1,0,0,1|0,1,1]=4 997 B14R2.7150 O\N=C\c1cc[n]c2ccccc12 Amb24612248 [0,0,1,0,0,1|0,1,1]=4 998 B14R2.92 CSc1c[n]c2ccccc2c1Cl Amb24271296 [0,0,1,0,0,1|2,0,0]=4 999 B14R2.92 CSc1c[n]c2ccccc2c1N Amb24534167 [0,0,1,0,0,1|2,0,0]=4 1000 B14R2.92 NCc1[n][n]c2ccccc2c1Cl Amb19374882 [0,0,1,0,0,1|2,0,0]=4 1001 B14R2.92 NSc1ccc2ccccc2c1O Amb24492763 [0,0,1,0,0,1|2,0,0]=4 1002 B14R2.92 Nc1c2ccccc2[n][n]c1CN Amb25736716 [0,0,1,0,0,1|2,0,0]=4 1003 B14R2.92 Nc1c2ccccc2[n]cc1CN Amb18946631 [0,0,1,0,0,1|2,0,0]=4 1004 B14R2.1019 CSC1=Nc2ccccc2C(=N)S1 Amb24422190 [0,0,1,0,0,1|2,0,0]=4 1005 B14R2.1019 CSC1=Nc2ccccc2C(=O)O1 Amb24491783 [0,0,1,0,0,1|2,0,0]=4 1006 B14R2.1019 CSC=1NC(=O)c2ccccc2N1 Amb18013204 [0,0,1,0,0,1|2,0,0]=4 1007 B14R2.1019 CSc1cc(Cl)c2ccccc2[n]1 Amb24472663 [0,0,1,0,0,1|2,0,0]=4 1008 B14R2.1019 Cc1[n]c(CN)[n]c2ccccc21 Amb20641753 [0,0,1,0,0,1|1,0,1]=4 1009 B14R2.1019 Cc1cc(CN)[n]c2ccccc21 Amb18252188 [0,0,1,0,0,1|1,0,1]=4 1010 B14R2.1019 Cc1cc(CN)[n]c2ccccc21 Amb22498117 [0,0,1,0,0,1|1,0,1]=4 1011 B14R2.1019 NCC=1NC(=O)c2ccccc2N1 Amb18534116 [0,0,1,0,0,1|2,0,0]=4 1012 B14R2.1019 NCC=1NC(=O)c2ccccc2N1 Amb19550599 [0,0,1,0,0,1|2,0,0]=4 1013 B14R2.1019 NCc1[n]c2ccccc2c(O)[n]1 Amb18669581 [0,0,1,0,0,1|2,0,0]=4 1014 B14R2.1019 NCc1nc2ccccc2c(n1)C Amb13952520 [0,0,1,0,0,1|1,0,1]=4 1015 B14R2.1019 NNC1=Nc2ccccc2C(=O)S1 Amb24634513 [0,0,1,0,0,1|2,0,0]=4 1016 B14R2.1019 NNC=1NC(=O)c2ccccc2N1 Amb18127646 [0,0,1,0,0,1|2,0,0]=4 1017 B14R2.1019 NNc1[n]c2ccccc2c(O)[n]1 Amb18127641 [0,0,1,0,0,1|2,0,0]=4 1018 B14R2.1019 NNc1cc(C)c2c(n1)cccc2 Amb1104571 [0,0,1,0,0,1|1,0,1]=4 1019 B14R2.1019 NNc1cc(Cl)c2ccccc2[n]1 Amb25120929 [0,0,1,0,0,1|2,0,0]=4 1020 B14R2.1019 Nc1[n]c(NN)[n]c2ccccc12 Amb24116138 [0,0,1,0,0,1|2,0,0]=4 1021 B14R2.1128 CSC1=Nc2ccccc2NC1=O Amb19655026 [0,0,1,0,0,1|2,0,0]=4 1022 B14R2.1128 CSc1[n]c2ccccc2[n]c1Cl Amb24610943 [0,0,1,0,0,1|2,0,0]=4 1023 B14R2.1128 CSc1[n]c2ccccc2[n]c1N Amb22478516 [0,0,1,0,0,1|2,0,0]=4 1024 B14R2.1128 Cc1[n]c2ccccc2[n]c1CN Amb25800902 [0,0,1,0,0,1|1,0,1]=4 1025 B14R2.1128 Cc1cc2ccccc2[n]c1CN Amb22498477 [0,0,1,0,0,1|1,0,1]=4 1026 B14R2.1128 NCc1[n]c2ccccc2[nH]c1=O Amb24085311 [0,0,1,0,0,1|2,0,0]=4 1027 B14R2.1128 NCc1[n]c2ccccc2[n]c1Cl Amb25343385 [0,0,1,0,0,1|2,0,0]=4 1028 B14R2.1128 NCc1nc2ccccc2cc1C Amb17578253 [0,0,1,0,0,1|1,0,1]=4 1029 B14R2.1128 NNC1=Nc2ccccc2NC1=O Amb18127652 [0,0,1,0,0,1|2,0,0]=4 1030 B14R2.1128 NNC1=Nc2ccccc2NC1=S Amb22491044 [0,0,1,0,0,1|2,0,0]=4 1031 B14R2.1128 NNc1nc2ccccc2nc1Cl Amb2226960 [0,0,1,0,0,1|2,0,0]=4 1032 B14R2.1128 NNc1nc2ccccc2nc1O Amb1351727 [0,0,1,0,0,1|2,0,0]=4 1033 B14R2.1128 NNc1nc2ccccc2nc1S Amb1785316 [0,0,1,0,0,1|2,0,0]=4 1034 B14R2.1128 Nc1cc2ccccc2[n]c1CN Amb23399949 [0,0,1,0,0,1|2,0,0]=4 1035 B14R2.6 C1=CC=C(SC1)Oc2ccccc2 Amb15691624 [0,0,1,0,0,1|2,0,0]=4 1036 B14R2.101 C(=N\c1ccccc1)/c2c[s]cc2 Amb24445305 [0,0,1,0,0,1|2,0,0]=4 1037 B14R2.101 C(=N\c1ccccc1)\c2ccc[s]2 Amb24551047 [0,0,1,0,0,1|1,0,0]=3 1038 B14R2.101 C(=Nc1cccc[n]1)c2ccc[s]2 Amb24077928 [0,0,1,0,0,1|2,0,0]=4 1039 B14R2.101 C(=Nc1ccccc1)c2ccc[s]2 Amb24077924 [0,0,1,0,0,1|1,0,0]=3 1040 B14R2.101 C(Oc1cc[nH][n]1)c2ccccc2 Amb24699049 [0,0,1,0,0,1|2,0,0]=4 1041 B14R2.101 C(Oc1ccc[s]1)c2ccccc2 Amb24496618 [0,0,1,0,0,1|2,0,0]=4 1042 B14R2.101 C(Sc1cc[nH]c1)c2ccccc2 Amb24534069 [0,0,1,0,0,1|2,0,0]=4 1043 B14R2.101 c1ccc(cc1)C#Cc2cccs2 Amb1017421 [0,0,1,0,0,1|2,0,0]=4 1044 B14R2.101 c1ccc(cc1)N=Cc2cscc2 Amb15740262 [0,0,1,0,0,1|2,0,0]=4 1045 B14R2.101 c1ccc(cc1)\C=C\c2cccs2 Amb1060407 [0,0,1,0,0,1|2,0,0]=4 1046 B14R2.101 c1ccc(cc1)\N=C\c2cccs2 Amb2425844 [0,0,1,0,0,1|1,0,0]=3 1047 B14R2.101 c1ccccc1C#Cc2cc[nH][n]2 Amb25687937 [0,0,1,0,0,1|2,0,0]=4 1048 B14R2.101 c1ccccc1\C=C\c2cc[nH][n]2 Amb24119917 [0,0,1,0,0,1|2,0,0]=4 1049 B14R2.203 Cc1[n][n]c2ccccc2c1C=O Amb18126893 [0,0,1,0,0,1|2,0,0]=4 1050 B14R2.203 Cc1[n]cc2ccccc2c1CN Amb19110687 [0,0,1,0,0,1|1,0,1]=4 1051 B14R2.203 NCc1c(O)[n][n]c2ccccc21 Amb25268504 [0,0,1,0,0,1|0,1,1]=4 1052 B14R2.203 NCc1c(O)c[n]c2ccccc21 Amb24533293 [0,0,1,0,0,1|0,1,1]=4 1053 B14R2.203 Nc1c[n]c2ccccc2c1NN Amb25340457 [0,0,1,0,0,1|2,0,0]=4 1054 B14R2.203 O=Cc1c(Cl)[n]cc2ccccc21 Amb19957762 [0,0,1,0,0,1|2,0,0]=4 1055 B14R2.203 O=Cc1c(F)c[n]c2ccccc21 Amb22547374 [0,0,1,0,0,1|2,0,0]=4 1056 B14R2.203 O\C=C/1\C(=O)C=Nc2ccccc21 Amb25697864 [0,0,1,0,0,1|1,1,0]=4 1057 B14R2.203 Oc1c[n]c2ccccc2c1C=O Amb18198100 [0,0,1,0,0,1|1,1,0]=4 1058 B14R2.1146 C=Cc1[n]c(Cl)[n]c2ccccc21 Amb24666890 [0,0,1,0,0,1|2,0,0]=4 1059 B14R2.1146 CNc1nc(S)nc2c1cccc2 Amb2371027 [0,0,1,0,0,1|2,0,0]=4 1060 B14R2.1146 N#Cc1cc(S)[n]c2ccccc21 Amb25718063 [0,0,1,0,0,1|0,0,2]=4 1061 B14R2.1146 NCc1cc(C)nc2c1cccc2 Amb10576281 [0,0,1,0,0,1|1,0,1]=4 1062 B14R2.1146 NCc1cc(C)nc2c1cccc2 Amb1101984 [0,0,1,0,0,1|1,0,1]=4 1063 B14R2.1146 NCc1cc(Cl)[n]c2ccccc21 Amb22499463 [0,0,1,0,0,1|1,0,1]=4 1064 B14R2.1146 NCc1cc(O)[n]c2ccccc21 Amb18252216 [0,0,1,0,0,1|0,1,1]=4 1065 B14R2.1146 NNc1[n]c(Cl)[n]c2ccccc21 Amb18652015 [0,0,1,0,0,1|2,0,0]=4 1066 B14R2.1146 NNc1[n]c(O)[n]c2ccccc21 Amb21846847 [0,0,1,0,0,1|1,1,0]=4 1067 B14R2.1146 Nc1[n]c2ccccc2c(NN)[n]1 Amb18647902 [0,0,1,0,0,1|2,0,0]=4 1068 B14R2.1146 Nc1cc(CN)c2ccccc2[n]1 Amb18908931 [0,0,1,0,0,1|1,0,1]=4 1069 B14R2.1146 O=Cc1[n]c(Cl)[n]c2ccccc21 Amb22497737 [0,0,1,0,0,1|2,0,0]=4 1070 B14R2.1146 O=Cc1cc(Br)[n]c2ccccc21 Amb23412000 [0,0,1,0,0,1|2,0,0]=4 1071 B16R3.9 C1NCCc2c[n]c3ccccc3c21 Amb24359012 [0,0,0,0,0,2|1,0,1]=4 1072 B16R3.9 c1[n]c2[n]c[n]cc2c3ccccc31 Amb24658981 [0,0,0,0,0,2|1,0,1]=4 1073 B16R3.9 c1[n]c2[n]cccc2c3ccccc31 Amb24513591 [0,0,0,0,0,2|2,0,0]=4 1074 B16R3.9 c1[n]c2ccccc2c3[n]cccc31 Amb23554924 [0,0,0,0,0,2|2,0,0]=4 1075 B16R3.9 c1c[n]c2c([n][n]c3ccccc32)[n]1 Amb25692585 [0,0,0,0,0,2|2,0,0]=4 1076 B16R3.1720 C1C=C2Nc3ccccc3N=C2C=C1 Amb25830472 [0,0,0,0,0,2|2,0,0]=4 1077 B16R3.1720 C1CC=C2N=C3C=CC=CC3=NC2=C1 Amb24105615 [0,0,0,0,0,2|2,0,0]=4 1078 B16R3.1720 C1NC=Nc2[n]c3ccccc3cc21 Amb24696397 [0,0,0,0,0,2|1,0,1]=4 1079 B16R3.1720 C1NC=Nc2cc3ccccc3cc21 Amb24442805 [0,0,0,0,0,2|2,0,0]=4 1080 B16R3.1720 C1NCCc2[n]c3ccccc3cc21 Amb18863092 [0,0,0,0,0,2|1,0,1]=4 1081 B16R3.1720 c1[n]ccc2[n]c3ccccc3cc21 Amb24335786 [0,0,0,0,0,2|1,0,1]=4 1082 B16R3.1720 c1c[n]c2[n]c3ccccc3[n]c2[n]1 Amb24409933 [0,0,0,0,0,2|2,0,0]=4 1083 B16R3.1720 c1ccc2c(c1)nc3c(n2)cccc3 Amb2553397 [0,0,0,0,0,2|2,0,0]=4 1084 B16R3.1720 c1cccc2N=C3NC=CC=C3Oc21 Amb24634636 [0,0,0,0,0,2|2,0,0]=4 1085 B16R3.1720 c1cccc2[n]c3ccccc3[n]c21 Amb22167528 [0,0,0,0,0,2|2,0,0]=4 1086 B16R3.1720 c1cccc2[n]c3ccccc3[s+]c21 Amb22363495 [0,0,0,0,0,2|2,0,0]=4 1087 B16R3.1722 C1NCC=C[n]2c3ccccc3[n]c21 Amb25714450 [0,0,0,0,0,2|2,0,0]=4 1088 B16R3.1722 c1cccc2[n]c3C=CSC=C[n]3c21 Amb25742980 [0,0,0,0,0,2|2,0,0]=4 1089 B16R3.1722 c1cccc2[n]c3SC=CC=C[n]3c21 Amb25348724 [0,0,0,0,0,2|2,0,0]=4 1090 B16R3.6152 C1=Nc2[s]ccc2Oc3ccccc31 Amb25120270 [0,0,0,0,0,2|1,0,0]=3 1091 B16R3.6152 C1=Nc2ccccc2Nc3c[s]cc31 Amb24718342 [0,0,0,0,0,2|2,0,0]=4 1092 B16R3.6152 C1=Nc2ccccc2Nc3cc[s]c31 Amb24401604 [0,0,0,0,0,2|1,0,0]=3 1093 B16R3.6152 C1=Nc2ccccc2Oc3cc[s]c31 Amb24511242 [0,0,0,0,0,2|1,0,0]=3 1094 B16R3.6152 C1Nc2ccccc2Sc3c[nH]cc31 Amb18786476 [0,0,0,0,0,2|1,0,1]=4 1095 B16R3.6152 C1c2ccccc2CCc3[s]ccc31 Amb24608717 [0,0,0,0,0,2|2,0,0]=4