0 B16R3.1796 C1=C(OCCC1)c2ccc3c(c2)CC3 AIFCHEM-6356202681 [0,0,0,0,0,0|2,0,0]=2 1 B16R3.1796 c1cnc(cn1)c2ccc3c(c2)CC3 AIFCHEM-6307780105 [0,0,0,0,0,0|3,0,1]=4 2 B16R3.1796 c1ncc(cn1)c2ccc3c(c2)CC3 AIFCHEM-6356548013 [0,0,0,0,0,0|1,0,3]=4 3 B17R3.2414 CC1CC=C(CC1)c2ccc3c(c2)CC3 AIFCHEM-6381124522 [0,1,0,0,0,0|1,0,0]=2 4 B17R3.2414 CN1CC=C(CC1)c2ccc3c(c2)CC3 AIFCHEM-6307860442 [0,1,0,0,0,0|2,0,0]=3 5 B17R3.2444 CN1CCC=C(C1)c2ccc3c(c2)CC3 AIFCHEM-6356405242 [0,1,0,0,0,0|0,0,0]=1 6 B17R3.3070 O=c1[nH]cccc1c2ccc3c(c2)CC3 AIFCHEM-6356548012 [0,1,0,0,0,0|0,0,3]=4 7 B15R2.1 CCc1ccc(cn1)C2=CCCCC2 AIFCHEM-6328715505 [0,0,1,0,0,0|2,0,0]=3 8 B15R2.1 CCc1ccc(cn1)C2=CCCCO2 AIFCHEM-6362730332 [0,0,1,0,0,0|3,0,0]=4 9 B15R2.1 CCc1ccc(cn1)C2=CCCNC2 AIFCHEM-6311719475 [0,0,1,0,0,0|1,0,0]=2 10 B15R2.1 CCc1ccc(cn1)C2=CCSCC2 AIFCHEM-6362907338 [0,0,1,0,0,0|3,0,0]=4 11 B15R2.1 CCc1ccc(nc1)C2=CCOCC2 AIFCHEM-6329517797 [0,0,1,0,0,0|3,0,0]=4 12 B15R2.1 CNc1ccc(cc1)C2=CCCCC2 AIFCHEM-6155003294 [0,0,1,0,0,0|2,0,0]=3 13 B15R2.1 CNc1ccc(cc1)C2=CCSCC2 AIFCHEM-94568459235 [0,0,1,0,0,0|3,0,0]=4 14 B15R2.1 CNc1ccc(cn1)C2=CCCCC2 AIFCHEM-6068612860 [0,0,1,0,0,0|3,0,0]=4 15 B15R2.1 CNc1ccc(cn1)C2=CCCNC2 AIFCHEM-6068725247 [0,0,1,0,0,0|2,0,0]=3 16 B15R2.1 COc1ccc(nn1)C2=CCCNC2 AIFCHEM-6350652712 [0,0,1,0,0,0|3,0,0]=4 17 B15R2.1 COc1cnc(cn1)C2=CCCNC2 AIFCHEM-6315103271 [0,0,1,0,0,0|3,0,0]=4 18 B15R2.1 CSc1ccc(nc1)C2=CCCCC2 AIFCHEM-6317741365 [0,0,1,0,0,0|3,0,0]=4 19 B15R2.1 N#Cc1ccc(cc1)C2=CCCNC2 AIFCHEM-6366422905 [0,0,1,0,0,0|1,0,1]=3 20 B15R2.1 N#Cc1ccc(cn1)C2=CCCNC2 AIFCHEM-6412141833 [0,0,1,0,0,0|2,0,1]=4 21 B15R2.1 NCc1ccc(cc1)C2=CCNCC2 AIFCHEM-94592180870 [0,0,1,0,0,0|3,0,0]=4 22 B15R2.1 O=Cc1ccc(nc1)C2=CCCNC2 AIFCHEM-6400706407 [0,0,1,0,0,0|2,0,1]=4 23 B15R2.1 OCc1ccc(cc1)C2=COCCC2 AIFCHEM-6194275880 [0,0,1,0,0,0|3,0,0]=4 24 B15R2.1 OCc1ccc(nc1)C2=CCCNC2 AIFCHEM-6365355214 [0,0,1,0,0,0|2,0,0]=3 25 B15R2.17 CCc1cc(ccn1)C2=CCNCC2 AIFCHEM-6360781787 [0,0,1,0,0,0|3,0,0]=4 26 B15R2.17 CCc1cccc(c1)C2=CCCNC2 AIFCHEM-6324657765 [0,0,1,0,0,0|0,0,0]=1 27 B15R2.17 CCc1cccc(c1)C2=CCSCC2 AIFCHEM-6324775881 [0,0,1,0,0,0|2,0,0]=3 28 B15R2.17 CCc1cccc(c1)C2=COCCC2 AIFCHEM-6302405187 [0,0,1,0,0,0|2,0,0]=3 29 B15R2.17 CCc1cccc(n1)C2=CCCCC2 AIFCHEM-6306907609 [0,0,1,0,0,0|2,0,0]=3 30 B15R2.17 CCc1cncc(c1)C2=CCCCC2 AIFCHEM-6394252019 [0,0,1,0,0,0|2,0,0]=3 31 B15R2.17 CCc1cncc(c1)C2=CCSCC2 AIFCHEM-6394258591 [0,0,1,0,0,0|3,0,0]=4 32 B15R2.17 CNc1cc(ccn1)C2=CCCCC2 AIFCHEM-6238771129 [0,0,1,0,0,0|3,0,0]=4 33 B15R2.17 CNc1cccc(c1)C2=CCCCO2 AIFCHEM-5800746879 [0,0,1,0,0,0|3,0,0]=4 34 B15R2.17 CNc1cccc(c1)C2=CCCNC2 AIFCHEM-5861488062 [0,0,1,0,0,0|1,0,0]=2 35 B15R2.17 CNc1ccnc(c1)C2=CCCNC2 AIFCHEM-6306664909 [0,0,1,0,0,0|2,0,0]=3 36 B15R2.17 COc1cccc(c1)C2=CCNCC2 AIFCHEM-94547740454 [0,0,1,0,0,0|3,0,0]=4 37 B15R2.17 COc1cccc(c1)C2=CCSCC2 AIFCHEM-94547743275 [0,0,1,0,0,0|3,0,0]=4 38 B15R2.17 CSc1cccc(n1)C2=CCCCC2 AIFCHEM-6318653395 [0,0,1,0,0,0|3,0,0]=4 39 B15R2.17 CSc1cncc(c1)C2=CCCCC2 AIFCHEM-6345882796 [0,0,1,0,0,0|3,0,0]=4 40 B15R2.17 N#Cc1cc(ccn1)C2=CCCNC2 AIFCHEM-6355114940 [0,0,1,0,0,0|2,0,1]=4 41 B15R2.17 NCc1cccc(c1)C2=CCSCC2 AIFCHEM-94592400855 [0,0,1,0,0,0|3,0,0]=4 42 B15R2.17 OCc1cccc(c1)C2=CCCCC2 AIFCHEM-6458609594 [0,0,1,0,0,0|2,0,0]=3 43 B15R2.17 OCc1cccc(c1)C2=CCCNC2 AIFCHEM-6428563204 [0,0,1,0,0,0|1,0,0]=2 44 B15R2.17 OCc1cccc(c1)C2=CCNCC2 AIFCHEM-6360613798 [0,0,1,0,0,0|3,0,0]=4 45 B15R2.17 OCc1cccc(c1)C2=CCSCC2 AIFCHEM-6296857940 [0,0,1,0,0,0|3,0,0]=4 46 B15R2.17 OCc1cncc(c1)C2=CCCCC2 AIFCHEM-6391270774 [0,0,1,0,0,0|3,0,0]=4 47 B15R2.94 Cc1cc(c[nH]c1=O)C2=CCCCC2 AIFCHEM-6392286496 [0,0,1,0,0,0|3,0,0]=4 48 B15R2.94 Cc1cc(ccc1F)C2=CCNCC2 AIFCHEM-6370742294 [0,0,1,0,0,0|3,0,0]=4 49 B15R2.94 Cc1cc(ccc1N)C2=CCCCC2 AIFCHEM-5618372250 [0,0,1,0,0,0|2,0,0]=3 50 B15R2.94 Cc1cc(cnc1C)C2=CCCCO2 AIFCHEM-6301552278 [0,0,1,0,0,0|3,0,0]=4 51 B15R2.94 Cc1cc(cnc1C)C2=CCNCC2 AIFCHEM-6331373677 [0,0,1,0,0,0|3,0,0]=4 52 B15R2.94 Cc1ccc(cc1C)C2=CCCCC2 AIFCHEM-94530432755 [0,0,1,0,0,0|1,0,0]=2 53 B15R2.94 Cc1ccc(cc1C)C2=CCCCO2 AIFCHEM-6312323647 [0,0,1,0,0,0|2,0,0]=3 54 B15R2.94 Cc1ccc(cc1C)C2=CCOCC2 AIFCHEM-6296325129 [0,0,1,0,0,0|2,0,0]=3 55 B15R2.94 Cc1ccc(cc1C)C2=CCSCC2 AIFCHEM-6296513103 [0,0,1,0,0,0|2,0,0]=3 56 B15R2.94 Cc1ccc(cc1N)C2=CCNCC2 AIFCHEM-6139540879 [0,0,1,0,0,0|3,0,0]=4 57 B15R2.94 Cc1ccc(cc1O)C2=CCCNC2 AIFCHEM-6335904118 [0,0,1,0,0,0|1,0,0]=2 58 B15R2.94 Cc1cnc(cc1C)C2=CCNCC2 AIFCHEM-6429136929 [0,0,1,0,0,0|3,0,0]=4 59 B15R2.94 Cc1cnc(cc1C)C2=CCSCC2 AIFCHEM-6442784905 [0,0,1,0,0,0|3,0,0]=4 60 B15R2.94 Cc1nc(ccc1F)C2=CCCCC2 AIFCHEM-6295232225 [0,0,1,0,0,0|3,0,0]=4 61 B15R2.94 Cc1nc(ccc1O)C2=CCCCC2 AIFCHEM-6333467701 [0,0,1,0,0,0|3,0,0]=4 62 B15R2.94 Cc1ncc(cc1F)C2=CCCNC2 AIFCHEM-6381808502 [0,0,1,0,0,0|2,0,0]=3 63 B15R2.94 Cc1ncc(cc1O)C2=CCCNC2 AIFCHEM-6375878435 [0,0,1,0,0,0|2,0,0]=3 64 B15R2.94 Cc1ncc(nc1C)C2=CCCCC2 AIFCHEM-6421556114 [0,0,1,0,0,0|3,0,0]=4 65 B15R2.94 Cn1cc(ccc1=O)C2=CCCCC2 AIFCHEM-6339947211 [0,0,1,0,0,0|3,0,0]=4 66 B15R2.94 Fc1cnc(cc1F)C2=CCCNC2 AIFCHEM-6365094099 [0,0,1,0,0,0|3,0,0]=4 67 B15R2.94 Nc1cc(cnc1N)C2=CCCNC2 AIFCHEM-94587761169 [0,0,1,0,0,0|3,0,0]=4 68 B15R2.94 Nc1ccc(cc1O)C2=CCCNC2 AIFCHEM-5611282481 [0,0,1,0,0,0|2,0,0]=3 69 B15R2.94 Nc1cnc(cc1N)C2=CCCNC2 AIFCHEM-6329336179 [0,0,1,0,0,0|3,0,0]=4 70 B15R2.94 Nc1nc(ccc1O)C2=CCCNC2 AIFCHEM-6381952290 [0,0,1,0,0,0|3,0,0]=4 71 B15R2.94 O=c1[nH]cc(cc1F)C2=CCCNC2 AIFCHEM-6395609168 [0,0,1,0,0,0|3,0,0]=4 72 B15R2.94 Oc1ccc(cc1O)C2=CCCCC2 AIFCHEM-6335979023 [0,0,1,0,0,0|3,0,0]=4 73 B15R2.94 Oc1ccc(cc1O)C2=CCCNC2 AIFCHEM-6312135517 [0,0,1,0,0,0|2,0,0]=3 74 B15R2.7912 COCCNCc1ccc2c(c1)CC2 AIFCHEM-6058220211 [0,0,1,0,0,0|2,0,1]=4 75 B15R3.1713 C1=C(COC1)c2ccc3c(c2)CC3 AIFCHEM-6380960016 [0,0,0,0,1,0|1,0,0]=2 76 B17R3.1941 C1=C(CCCC1)c2ccc3cnoc3c2 AIFCHEM-6422196304 [0,0,0,0,0,1|2,0,1]=4 77 B17R3.1941 C1=C(CCCC1)c2ccc3nonc3c2 AIFCHEM-6317793036 [0,0,0,0,0,1|3,0,0]=4 78 B17R3.1941 C1=C(CCCC1)c2ccc3nsnc3c2 AIFCHEM-6274546400 [0,0,0,0,0,1|3,0,0]=4 79 B17R3.1941 C1=C(CCCC1)c2ccc3sccc3c2 AIFCHEM-6345893068 [0,0,0,0,0,1|1,0,2]=4 80 B17R3.1941 C1=C(CCCO1)c2ccc3c(c2)NCC3 AIFCHEM-94558768192 [0,0,0,0,0,1|2,0,0]=3 81 B17R3.1941 C1=C(CCNC1)c2ccc3c(c2)CCC3 AIFCHEM-6345147988 [0,0,0,0,0,1|2,0,0]=3 82 B17R3.1941 C1=C(CCNC1)c2ccc3c(c2)NCC3 AIFCHEM-94558768419 [0,0,0,0,0,1|2,0,0]=3 83 B17R3.1941 C1=C(CCOC1)c2ccc3c(c2)CCO3 AIFCHEM-6334813317 [0,0,0,0,0,1|2,0,0]=3 84 B17R3.1941 C1=C(CCOC1)c2ccc3c(c2)CNC3 AIFCHEM-5833879930 [0,0,0,0,0,1|2,0,0]=3 85 B17R3.1941 C1=C(CCOC1)c2cnc3c(c2)CCN3 AIFCHEM-94574717817 [0,0,0,0,0,1|3,0,0]=4 86 B17R3.1941 C1=C(CCSC1)c2cnc3c(c2)CCC3 AIFCHEM-6349887780 [0,0,0,0,0,1|3,0,0]=4 87 B17R3.1941 C1=C(CCSC1)c2cnc3c(c2)CNC3 AIFCHEM-94602263096 [0,0,0,0,0,1|3,0,0]=4 88 B17R3.1941 C1=C(CNCC1)c2ccc3[nH]ccc3c2 AIFCHEM-6475915777 [0,0,0,0,0,1|0,0,2]=3 89 B17R3.1941 C1=C(CNCC1)c2ccc3c(c2)CCO3 AIFCHEM-6412700809 [0,0,0,0,0,1|0,0,0]=1 90 B17R3.1941 C1=C(CNCC1)c2ccc3c(c2)CNC3 AIFCHEM-94605742810 [0,0,0,0,0,1|0,0,0]=1 91 B17R3.1941 C1=C(CNCC1)c2ccc3c(c2)COC3 AIFCHEM-6338656909 [0,0,0,0,0,1|0,0,0]=1 92 B17R3.1941 C1=C(CNCC1)c2ccc3c(c2)OCO3 AIFCHEM-6340797016 [0,0,0,0,0,1|1,0,0]=2 93 B17R3.1941 C1=C(CNCC1)c2ccc3c(n2)CCN3 AIFCHEM-5738235040 [0,0,0,0,0,1|1,0,0]=2 94 B17R3.1941 C1=C(CNCC1)c2ccc3ccoc3c2 AIFCHEM-6426910907 [0,0,0,0,0,1|0,0,2]=3 95 B17R3.1941 C1=C(CNCC1)c2ccc3ncnn3c2 AIFCHEM-6310584081 [0,0,0,0,0,1|2,0,1]=4 96 B17R3.1941 C1=C(CNCC1)c2ccc3nonc3c2 AIFCHEM-6354231232 [0,0,0,0,0,1|2,0,0]=3 97 B17R3.1941 C1=C(CNCC1)c2ccc3nsnc3c2 AIFCHEM-6196817986 [0,0,0,0,0,1|2,0,0]=3 98 B17R3.1941 C1=C(CNCC1)c2ccc3oncc3c2 AIFCHEM-6335868880 [0,0,0,0,0,1|1,0,1]=3 99 B17R3.1941 C1=C(CNCC1)c2ccc3sccc3c2 AIFCHEM-6337859341 [0,0,0,0,0,1|0,0,2]=3 100 B17R3.1941 C1=C(CNCC1)c2ccc3sncc3c2 AIFCHEM-6365403535 [0,0,0,0,0,1|1,0,1]=3 101 B17R3.1941 C1=C(CNCC1)c2ccn3nccc3c2 AIFCHEM-6189519884 [0,0,0,0,0,1|1,0,2]=4 102 B17R3.1941 C1=C(CNCC1)c2cnc3n[nH]cc3c2 AIFCHEM-94559829224 [0,0,0,0,0,1|2,0,1]=4 103 B17R3.1941 C1=C(CNCC1)c2cnc3nc[nH]c3c2 AIFCHEM-6361415038 [0,0,0,0,0,1|2,0,1]=4 104 B17R3.1941 C1=C(CNCC1)c2cnc3ncoc3c2 AIFCHEM-6289445127 [0,0,0,0,0,1|2,0,1]=4 105 B17R3.1941 C1=C(OCCC1)c2ccc3c(c2)CCO3 AIFCHEM-6486105338 [0,0,0,0,0,1|2,0,0]=3 106 B17R3.1941 C1=C(OCCC1)c2ccc3c(c2)CNC3 AIFCHEM-5833706057 [0,0,0,0,0,1|2,0,0]=3 107 B17R3.1941 C1=C(OCCC1)c2ccc3c(c2)COC3 AIFCHEM-6291275329 [0,0,0,0,0,1|2,0,0]=3 108 B17R3.1941 C1=C(OCCC1)c2ccc3c(c2)NCC3 AIFCHEM-5724726735 [0,0,0,0,0,1|2,0,0]=3 109 B17R3.1941 C1=C(OCCC1)c2ccc3c(c2)OCO3 AIFCHEM-6339725438 [0,0,0,0,0,1|3,0,0]=4 110 B17R3.1941 C1=C(OCCC1)c2ccc3c(n2)CCN3 AIFCHEM-5767695627 [0,0,0,0,0,1|3,0,0]=4 111 B17R3.1941 C1=C(OCCC1)c2cnc3c(c2)CCN3 AIFCHEM-5606175610 [0,0,0,0,0,1|3,0,0]=4 112 B17R3.1941 C1=C(OCCC1)c2cnc3c(c2)NCC3 AIFCHEM-6022955540 [0,0,0,0,0,1|3,0,0]=4 113 B17R3.7252 C1=C(CCCCC1)c2ccc3c(c2)CC3 AIFCHEM-6381115462 [0,0,0,0,0,1|1,0,0]=2 114 B14R2.68 Cc1ccc(cc1)C2=COCCC2 AIFCHEM-94528939493 [1,0,1,0,0,0|2,0,0]=4 115 B14R2.68 Cc1ccc(cn1)C2=CCCCC2 AIFCHEM-6414627731 [1,0,1,0,0,0|2,0,0]=4 116 B14R2.68 Cc1ccc(nn1)C2=CCCNC2 AIFCHEM-6307764407 [1,0,1,0,0,0|2,0,0]=4 117 B14R2.68 Nc1ccc(cc1)C2=CCCCC2 AIFCHEM-94608717822 [1,0,1,0,0,0|2,0,0]=4 118 B14R2.68 Nc1ccc(nc1)C2=CCCNC2 AIFCHEM-6306580880 [1,0,1,0,0,0|2,0,0]=4 119 B14R2.21 Cc1ccnc(n1)C2=CCCNC2 AIFCHEM-6329115210 [1,0,1,0,0,0|2,0,0]=4 120 B14R2.21 Fc1cccc(c1)C2=CCCNC2 AIFCHEM-6413552005 [1,0,1,0,0,0|1,0,0]=3 121 B14R2.21 Nc1cccc(c1)C2=CCCNC2 AIFCHEM-5596931608 [1,0,1,0,0,0|1,0,0]=3 122 B14R2.21 Oc1cccc(c1)C2=CCCNC2 AIFCHEM-94595707673 [1,0,1,0,0,0|1,0,0]=3 123 B14R2.2557 CCCNCc1ccc2c(c1)CC2 AIFCHEM-94521366133 [1,0,1,0,0,0|0,0,1]=3 124 B14R2.2557 N#CCNCc1ccc2c(c1)CC2 AIFCHEM-94558702378 [1,0,1,0,0,0|1,0,1]=4 125 B16R2.1 CCc1ccc(cn1)C2=CCCN(C2)C AIFCHEM-6304978762 [0,1,1,0,0,0|1,0,0]=3 126 B16R2.1 CN1CCC=C(C1)c2ccc(cc2)CN AIFCHEM-6153219755 [0,1,1,0,0,0|1,0,0]=3 127 B16R2.1 CNc1ccc(nc1)C2=CCCN(C2)C AIFCHEM-6416271284 [0,1,1,0,0,0|2,0,0]=4 128 B16R2.1 COc1ccc(cc1)C2=CCCN(C2)C AIFCHEM-6286863005 [0,1,1,0,0,0|1,0,0]=3 129 B16R2.1 CSc1ccc(cn1)C2=CCCN(C2)C AIFCHEM-6423522019 [0,1,1,0,0,0|2,0,0]=4 130 B16R2.7 CCCc1ccc(cc1)C2=CCCCC2 AIFCHEM-6326522704 [0,1,1,0,0,0|1,0,0]=3 131 B16R2.7 CCOc1ccc(cc1)C2=CCCNC2 AIFCHEM-6293370397 [0,1,1,0,0,0|0,0,0]=2 132 B16R2.7 CCOc1ccc(cc1)C2=CCNCC2 AIFCHEM-6294592141 [0,1,1,0,0,0|2,0,0]=4 133 B16R2.7 CCOc1ccc(cc1)C2=CCSCC2 AIFCHEM-6300517636 [0,1,1,0,0,0|2,0,0]=4 134 B16R2.7 CCOc1ccc(nc1)C2=CCCNC2 AIFCHEM-6337366643 [0,1,1,0,0,0|1,0,0]=3 135 B16R2.7 CCSc1ccc(cc1)C2=CCCCC2 AIFCHEM-6255257707 [0,1,1,0,0,0|1,0,0]=3 136 B16R2.7 CCSc1ccc(cc1)C2=CCNCC2 AIFCHEM-6192428513 [0,1,1,0,0,0|2,0,0]=4 137 B16R2.7 N#CCc1ccc(nc1)C2=CCCNC2 AIFCHEM-6363200540 [0,1,1,0,0,0|1,0,1]=4 138 B16R2.7 NOCc1ccc(cc1)C2=CCCNC2 AIFCHEM-6381363330 [0,1,1,0,0,0|1,0,0]=3 139 B16R2.7 OCCc1ccc(cc1)C2=CCOCC2 AIFCHEM-6329950368 [0,1,1,0,0,0|2,0,0]=4 140 B16R2.7 OCCc1ccc(cn1)C2=CCCCC2 AIFCHEM-6380481204 [0,1,1,0,0,0|2,0,0]=4 141 B16R2.13 CCc1ccc(cc1)C2=CCC(CC2)N AIFCHEM-94531768901 [0,1,1,0,0,0|1,0,0]=3 142 B16R2.13 CCc1ccc(cn1)C2=CCC(CC2)C AIFCHEM-6328581133 [0,1,1,0,0,0|2,0,0]=4 143 B16R2.13 CCc1ccc(cn1)C2=CCC(CC2)N AIFCHEM-94531773276 [0,1,1,0,0,0|2,0,0]=4 144 B16R2.13 CCc1ccc(cn1)C2=CCC(CC2)O AIFCHEM-6287144839 [0,1,1,0,0,0|2,0,0]=4 145 B16R2.13 CCc1ccc(nc1)C2=CCC(CC2)C AIFCHEM-6363435719 [0,1,1,0,0,0|2,0,0]=4 146 B16R2.13 NC1CC=C(CC1)c2ccc(cc2)CO AIFCHEM-94531777919 [0,1,1,0,0,0|2,0,0]=4 147 B16R2.85 CC(C)c1ccc(cc1)C2=CCOCC2 AIFCHEM-6301384925 [0,1,1,0,0,0|2,0,0]=4 148 B16R2.85 CC(N)c1ccc(cc1)C2=CCCCO2 AIFCHEM-94606087813 [0,1,1,0,0,0|2,0,0]=4 149 B16R2.85 CC(N)c1ccc(cc1)C2=CCSCC2 AIFCHEM-94575782168 [0,1,1,0,0,0|2,0,0]=4 150 B16R2.85 CC(N)c1ccc(cn1)C2=CCCCC2 AIFCHEM-5844346496 [0,1,1,0,0,0|2,0,0]=4 151 B16R2.85 CC(O)c1ccc(cc1)C2=COCCC2 AIFCHEM-6311930472 [0,1,1,0,0,0|2,0,0]=4 152 B16R2.85 CC(O)c1ccc(nc1)C2=CCCCC2 AIFCHEM-6328660489 [0,1,1,0,0,0|2,0,0]=4 153 B16R2.85 CN(C)c1ccc(cc1)C2=CCCCC2 AIFCHEM-6354587496 [0,1,1,0,0,0|2,0,0]=4 154 B16R2.85 CN(C)c1ccc(cc1)C2=CCCNC2 AIFCHEM-6303313939 [0,1,1,0,0,0|1,0,0]=3 155 B16R2.85 C[C@@H](N)c1ccc(cc1)C2=CCCCO2 AIFCHEM-5741825684 [0,1,1,0,0,0|2,0,0]=4 156 B16R2.85 C[C@@H](N)c1ccc(cc1)C2=CCSCC2 AIFCHEM-5719894978 [0,1,1,0,0,0|2,0,0]=4 157 B16R2.85 C[C@@H](N)c1ccc(cn1)C2=CCCCC2 AIFCHEM-94563776813 [0,1,1,0,0,0|2,0,0]=4 158 B16R2.85 C[C@@H](O)c1ccc(cc1)C2=COCCC2 AIFCHEM-6343824863 [0,1,1,0,0,0|2,0,0]=4 159 B16R2.85 C[C@H](N)c1ccc(cc1)C2=CCCCO2 AIFCHEM-6095271578 [0,1,1,0,0,0|2,0,0]=4 160 B16R2.85 C[C@H](N)c1ccc(cc1)C2=CCSCC2 AIFCHEM-94519293015 [0,1,1,0,0,0|2,0,0]=4 161 B16R2.85 C[C@H](N)c1ccc(cn1)C2=CCCCC2 AIFCHEM-94537384930 [0,1,1,0,0,0|2,0,0]=4 162 B16R2.85 C[C@H](O)c1ccc(cc1)C2=COCCC2 AIFCHEM-6311633226 [0,1,1,0,0,0|2,0,0]=4 163 B16R2.85 FC(F)c1ccc(cc1)C2=CCCNC2 AIFCHEM-6389448072 [0,1,1,0,0,0|1,0,0]=3 164 B16R2.2279 CCc1ccc(cc1N)C2=CCCNC2 AIFCHEM-6279484958 [0,1,1,0,0,0|0,0,0]=2 165 B16R2.2279 CCc1ccc(cc1N)C2=CCOCC2 AIFCHEM-6211701847 [0,1,1,0,0,0|2,0,0]=4 166 B16R2.2279 CCc1ccc(cc1N)C2=COCCC2 AIFCHEM-6212228537 [0,1,1,0,0,0|2,0,0]=4 167 B16R2.2279 CCn1ccc(cc1=O)C2=CCCNC2 AIFCHEM-6319416787 [0,1,1,0,0,0|1,0,0]=3 168 B16R2.2279 CNc1ccc(cc1N)C2=CCCNC2 AIFCHEM-6305636235 [0,1,1,0,0,0|1,0,0]=3 169 B16R2.2279 COc1ccc(cc1N)C2=CCCNC2 AIFCHEM-6019673567 [0,1,1,0,0,0|1,0,0]=3 170 B16R2.2279 COc1ccc(cc1O)C2=CCCCC2 AIFCHEM-6337395797 [0,1,1,0,0,0|2,0,0]=4 171 B16R2.2279 COc1cnc(cc1N)C2=CCCNC2 AIFCHEM-6294931390 [0,1,1,0,0,0|2,0,0]=4 172 B16R2.2279 CSc1ccc(cc1C)C2=CCCCC2 AIFCHEM-6470907403 [0,1,1,0,0,0|2,0,0]=4 173 B16R2.2279 CSc1ccc(cc1F)C2=CCCNC2 AIFCHEM-6416580811 [0,1,1,0,0,0|1,0,0]=3 174 B16R2.2279 Cc1cc(ccc1CO)C2=CCCCC2 AIFCHEM-6423452782 [0,1,1,0,0,0|2,0,0]=4 175 B16R2.2279 Cc1cc(ccc1CO)C2=CCCNC2 AIFCHEM-6423435733 [0,1,1,0,0,0|1,0,0]=3 176 B16R2.2279 N#Cc1ccc(cc1F)C2=CCCNC2 AIFCHEM-6289837314 [0,1,1,0,0,0|1,0,1]=4 177 B16R2.2279 NCc1ccc(cc1O)C2=CCCCC2 AIFCHEM-94527572477 [0,1,1,0,0,0|2,0,0]=4 178 B16R2.2279 NCc1ccc(cc1O)C2=CCCNC2 AIFCHEM-94527573118 [0,1,1,0,0,0|1,0,0]=3 179 B16R2.2506 CCc1ccc(c(c1)F)C2=CCCCO2 AIFCHEM-6430757827 [0,1,1,0,0,0|2,0,0]=4 180 B16R2.2506 CCc1ccc(c(c1)F)C2=CCNCC2 AIFCHEM-6458153717 [0,1,1,0,0,0|2,0,0]=4 181 B16R2.2506 CCc1ccc(c(c1)F)C2=COCCC2 AIFCHEM-6404804577 [0,1,1,0,0,0|2,0,0]=4 182 B16R2.2506 CNc1cc(c(cn1)C2=CCCNC2)C AIFCHEM-6249873487 [0,1,1,0,0,0|2,0,0]=4 183 B16R2.2506 CNc1ccc(c(c1)C)C2=CCCCC2 AIFCHEM-6247920300 [0,1,1,0,0,0|2,0,0]=4 184 B16R2.2506 COc1cc(c(cn1)C2=CCCNC2)C AIFCHEM-6225478949 [0,1,1,0,0,0|2,0,0]=4 185 B16R2.2506 COc1ccc(c(c1)N)C2=CCCCC2 AIFCHEM-94580802066 [0,1,1,0,0,0|2,0,0]=4 186 B16R2.2506 COc1ccc(c(c1)O)C2=CCCCC2 AIFCHEM-6304352633 [0,1,1,0,0,0|2,0,0]=4 187 B16R2.2506 COc1ccc(c(n1)C)C2=CCCNC2 AIFCHEM-6385182079 [0,1,1,0,0,0|2,0,0]=4 188 B16R2.2506 COc1cnc(c(c1)F)C2=CCCNC2 AIFCHEM-6333272175 [0,1,1,0,0,0|2,0,0]=4 189 B16R2.2506 COc1cnc(c(c1)N)C2=CCCNC2 AIFCHEM-6302117641 [0,1,1,0,0,0|2,0,0]=4 190 B16R2.2506 CSc1ccc(c(c1)F)C2=CCCNC2 AIFCHEM-6323972317 [0,1,1,0,0,0|1,0,0]=3 191 B16R2.2506 Cc1cc(ccc1C2=CCCNC2)CN AIFCHEM-6247445292 [0,1,1,0,0,0|1,0,0]=3 192 B16R2.2506 O=Cc1ccc(c(c1)O)C2=CCCNC2 AIFCHEM-6380865973 [0,1,1,0,0,0|1,0,1]=4 193 B16R2.19 CCc1cc(cc(c1)C2=CCNCC2)N AIFCHEM-6153635063 [0,1,1,0,0,0|2,0,0]=4 194 B16R2.19 CCc1cc(cc(c1)C2=CCOCC2)N AIFCHEM-6153439117 [0,1,1,0,0,0|2,0,0]=4 195 B16R2.19 CNc1cc(cc(c1)C2=CCCCC2)F AIFCHEM-6007116828 [0,1,1,0,0,0|2,0,0]=4 196 B16R2.19 CNc1cc(cc(c1)C2=CCCNC2)F AIFCHEM-6085624468 [0,1,1,0,0,0|1,0,0]=3 197 B16R2.19 COc1cc(cc(c1)C2=CCCNC2)N AIFCHEM-6182202968 [0,1,1,0,0,0|1,0,0]=3 198 B16R2.19 Cc1cc(cc(c1)C2=CCCCC2)CN AIFCHEM-94565838821 [0,1,1,0,0,0|2,0,0]=4 199 B16R2.19 Nc1cc(cc(c1)C2=CCCCC2)CO AIFCHEM-6331367033 [0,1,1,0,0,0|2,0,0]=4 200 B16R2.19 Nc1cc(cc(c1)C2=CCCNC2)CO AIFCHEM-6331532314 [0,1,1,0,0,0|1,0,0]=3 201 B16R2.19 O=Cc1cc(cc(c1)C2=CCCNC2)F AIFCHEM-6456993353 [0,1,1,0,0,0|1,0,1]=4 202 B16R2.22 CCc1cc(ccn1)C2=CCCN(C2)C AIFCHEM-6344726142 [0,1,1,0,0,0|1,0,0]=3 203 B16R2.22 CCc1cccc(c1)C2=CC(=O)CCC2 AIFCHEM-6341347323 [0,1,1,0,0,0|1,0,1]=4 204 B16R2.22 CCc1cncc(c1)C2=CCCN(C2)C AIFCHEM-6472366586 [0,1,1,0,0,0|1,0,0]=3 205 B16R2.22 CN1CCC=C(C1)c2cccc(n2)CO AIFCHEM-6368325426 [0,1,1,0,0,0|2,0,0]=4 206 B16R2.24 COc1ccnc(c1N)C2=CCCNC2 AIFCHEM-6335031761 [0,1,1,0,0,0|2,0,0]=4 207 B16R2.24 COc1nccc(c1C)C2=CCCNC2 AIFCHEM-6380977903 [0,1,1,0,0,0|2,0,0]=4 208 B16R2.24 Cc1c(cccc1C2=CCCCC2)CO AIFCHEM-6420015005 [0,1,1,0,0,0|2,0,0]=4 209 B16R2.24 Cc1c(cccc1C2=CCCNC2)C#N AIFCHEM-6302371524 [0,1,1,0,0,0|1,0,1]=4 210 B16R2.24 NCc1cccc(c1F)C2=CCCCC2 AIFCHEM-94542965089 [0,1,1,0,0,0|2,0,0]=4 211 B16R2.24 NCc1cccc(c1O)C2=CCCCC2 AIFCHEM-6249188013 [0,1,1,0,0,0|2,0,0]=4 212 B16R2.24 NCc1cccc(c1O)C2=CCCNC2 AIFCHEM-6281598346 [0,1,1,0,0,0|1,0,0]=3 213 B16R2.24 Nc1c(cccc1C2=CCCNC2)C=O AIFCHEM-5814616295 [0,1,1,0,0,0|1,0,1]=4 214 B16R2.27 COc1cc(c(cn1)C)C2=CCCNC2 AIFCHEM-6405932444 [0,1,1,0,0,0|2,0,0]=4 215 B16R2.27 COc1ccc(c(n1)C2=CCCNC2)N AIFCHEM-6433090204 [0,1,1,0,0,0|2,0,0]=4 216 B16R2.27 COc1ccc(c(n1)C2=CCCNC2)O AIFCHEM-6352396995 [0,1,1,0,0,0|2,0,0]=4 217 B16R2.27 Cc1ccc(cc1C2=CCCCC2)CN AIFCHEM-94552104820 [0,1,1,0,0,0|2,0,0]=4 218 B16R2.27 N#Cc1ccc(c(c1)C2=CCCNC2)F AIFCHEM-6331117339 [0,1,1,0,0,0|1,0,1]=4 219 B16R2.27 OCc1ccc(c(c1)C2=CCCNC2)F AIFCHEM-6398669940 [0,1,1,0,0,0|1,0,0]=3 220 B16R2.86 CC(C)c1cc(ccn1)C2=CCCNC2 AIFCHEM-6445374080 [0,1,1,0,0,0|1,0,0]=3 221 B16R2.86 CC(C)c1cccc(c1)C2=CCCCC2 AIFCHEM-6333532219 [0,1,1,0,0,0|1,0,0]=3 222 B16R2.86 CC(C)c1cccc(n1)C2=CCCCC2 AIFCHEM-6330976684 [0,1,1,0,0,0|2,0,0]=4 223 B16R2.86 CC(N)c1cccc(c1)C2=CCCCC2 AIFCHEM-94536158296 [0,1,1,0,0,0|1,0,0]=3 224 B16R2.86 CC(N)c1cccc(c1)C2=CCCCO2 AIFCHEM-5824885080 [0,1,1,0,0,0|2,0,0]=4 225 B16R2.86 CC(N)c1cccc(c1)C2=CCSCC2 AIFCHEM-94536160238 [0,1,1,0,0,0|2,0,0]=4 226 B16R2.86 CC(N)c1cccc(c1)C2=COCCC2 AIFCHEM-5799020948 [0,1,1,0,0,0|2,0,0]=4 227 B16R2.86 CC(O)c1cccc(c1)C2=CCSCC2 AIFCHEM-6431462713 [0,1,1,0,0,0|2,0,0]=4 228 B16R2.86 CN(C)c1ccnc(c1)C2=CCCNC2 AIFCHEM-6322346351 [0,1,1,0,0,0|2,0,0]=4 229 B16R2.86 CN(C)c1cncc(c1)C2=CCCNC2 AIFCHEM-6484993553 [0,1,1,0,0,0|2,0,0]=4 230 B16R2.86 C[C@@H](N)c1cccc(c1)C2=CCCCC2 AIFCHEM-6081283995 [0,1,1,0,0,0|1,0,0]=3 231 B16R2.86 C[C@@H](N)c1cccc(c1)C2=CCCCO2 AIFCHEM-94598331171 [0,1,1,0,0,0|2,0,0]=4 232 B16R2.86 C[C@@H](N)c1cccc(c1)C2=CCSCC2 AIFCHEM-6008886380 [0,1,1,0,0,0|2,0,0]=4 233 B16R2.86 C[C@@H](N)c1cccc(c1)C2=COCCC2 AIFCHEM-94598331261 [0,1,1,0,0,0|2,0,0]=4 234 B16R2.86 C[C@@H](O)c1cccc(c1)C2=CCSCC2 AIFCHEM-6292266590 [0,1,1,0,0,0|2,0,0]=4 235 B16R2.86 C[C@H](N)c1cccc(c1)C2=CCCCC2 AIFCHEM-94537262655 [0,1,1,0,0,0|1,0,0]=3 236 B16R2.86 C[C@H](N)c1cccc(c1)C2=CCCCO2 AIFCHEM-5956807469 [0,1,1,0,0,0|2,0,0]=4 237 B16R2.86 C[C@H](N)c1cccc(c1)C2=CCSCC2 AIFCHEM-5940852169 [0,1,1,0,0,0|2,0,0]=4 238 B16R2.86 C[C@H](N)c1cccc(c1)C2=COCCC2 AIFCHEM-94537259304 [0,1,1,0,0,0|2,0,0]=4 239 B16R2.86 C[C@H](O)c1cccc(c1)C2=CCSCC2 AIFCHEM-6383610729 [0,1,1,0,0,0|2,0,0]=4 240 B16R2.86 FC(F)c1cc(ccn1)C2=CCCNC2 AIFCHEM-6193886958 [0,1,1,0,0,0|2,0,0]=4 241 B16R2.86 FC(F)c1cccc(c1)C2=CCCNC2 AIFCHEM-6378420927 [0,1,1,0,0,0|1,0,0]=3 242 B16R2.86 FC(F)c1cccc(n1)C2=CCCNC2 AIFCHEM-6296695235 [0,1,1,0,0,0|2,0,0]=4 243 B16R2.86 O=C(O)c1cccc(c1)C2=CCCNC2 AIFCHEM-6365729036 [0,1,1,0,0,0|1,0,1]=4 244 B16R2.94 CCCc1cccc(c1)C2=CCOCC2 AIFCHEM-6367883936 [0,1,1,0,0,0|2,0,0]=4 245 B16R2.94 CCOc1cccc(c1)C2=CCCNC2 AIFCHEM-6288775673 [0,1,1,0,0,0|0,0,0]=2 246 B16R2.94 CCOc1cccc(n1)C2=CCCCC2 AIFCHEM-6294511458 [0,1,1,0,0,0|2,0,0]=4 247 B16R2.94 CCOc1cncc(c1)C2=CCCCC2 AIFCHEM-6317284621 [0,1,1,0,0,0|2,0,0]=4 248 B16R2.94 CCSc1cccc(c1)C2=CCCNC2 AIFCHEM-6366196077 [0,1,1,0,0,0|0,0,0]=2 249 B16R2.94 CCSc1cccc(c1)C2=COCCC2 AIFCHEM-6383462833 [0,1,1,0,0,0|2,0,0]=4 250 B16R2.94 COCc1cccc(c1)C2=CCCCC2 AIFCHEM-6432239110 [0,1,1,0,0,0|1,0,0]=3 251 B16R2.94 COCc1cccc(c1)C2=CCCNC2 AIFCHEM-6460338141 [0,1,1,0,0,0|0,0,0]=2 252 B16R2.94 COCc1cccc(c1)C2=CCNCC2 AIFCHEM-6428195503 [0,1,1,0,0,0|2,0,0]=4 253 B16R2.94 OCCc1cccc(c1)C2=CCCCC2 AIFCHEM-6356659152 [0,1,1,0,0,0|1,0,0]=3 254 B16R2.94 OCCc1cccc(c1)C2=CCNCC2 AIFCHEM-6303859651 [0,1,1,0,0,0|2,0,0]=4 255 B16R2.175 CCc1cc(ccn1)C2=CCC(CC2)N AIFCHEM-94531768851 [0,1,1,0,0,0|2,0,0]=4 256 B16R2.175 CCc1cc(ccn1)C2=CCC(CC2)O AIFCHEM-6326869236 [0,1,1,0,0,0|2,0,0]=4 257 B16R2.175 CCc1cccc(n1)C2=CCC(CC2)C AIFCHEM-6328336512 [0,1,1,0,0,0|2,0,0]=4 258 B16R2.175 CCc1cccc(n1)C2=CCC(CC2)O AIFCHEM-6374356371 [0,1,1,0,0,0|2,0,0]=4 259 B16R2.175 CCc1cncc(c1)C2=CCC(CC2)C AIFCHEM-6394245672 [0,1,1,0,0,0|2,0,0]=4 260 B16R2.175 COc1cccc(c1)C2=CCC(CC2)C AIFCHEM-6358012976 [0,1,1,0,0,0|2,0,0]=4 261 B16R2.175 CSc1cccc(c1)C2=CCC(CC2)C AIFCHEM-6400315787 [0,1,1,0,0,0|2,0,0]=4 262 B16R2.175 CSc1cccc(c1)C2=CCC(CC2)N AIFCHEM-94531772632 [0,1,1,0,0,0|2,0,0]=4 263 B16R2.175 CSc1cccc(c1)C2=CCC(CC2)O AIFCHEM-6404308527 [0,1,1,0,0,0|2,0,0]=4 264 B16R2.175 NCc1cccc(c1)C2=CCC(CC2)N AIFCHEM-94531776331 [0,1,1,0,0,0|2,0,0]=4 265 B16R2.175 OCc1cccc(c1)C2=CCC(CC2)O AIFCHEM-6418849239 [0,1,1,0,0,0|2,0,0]=4 266 B16R2.2321 CCc1cc(ccc1F)C2=CCCCO2 AIFCHEM-6383841794 [0,1,1,0,0,0|2,0,0]=4 267 B16R2.2321 CCc1cc(ccc1N)C2=CCCCC2 AIFCHEM-5858947671 [0,1,1,0,0,0|1,0,0]=3 268 B16R2.2321 CCc1cc(ccc1O)C2=CCCCO2 AIFCHEM-6310441173 [0,1,1,0,0,0|2,0,0]=4 269 B16R2.2321 CCc1cc(ccc1O)C2=COCCC2 AIFCHEM-6348891407 [0,1,1,0,0,0|2,0,0]=4 270 B16R2.2321 CNc1cc(ccc1F)C2=CCCNC2 AIFCHEM-5849469286 [0,1,1,0,0,0|1,0,0]=3 271 B16R2.2321 CNc1cc(ccc1N)C2=CCCNC2 AIFCHEM-6289035514 [0,1,1,0,0,0|1,0,0]=3 272 B16R2.2321 COc1cc(ccc1F)C2=CCCNC2 AIFCHEM-6338038434 [0,1,1,0,0,0|1,0,0]=3 273 B16R2.2321 COc1cc(ccc1O)C2=CCCCC2 AIFCHEM-6397634252 [0,1,1,0,0,0|2,0,0]=4 274 B16R2.2321 Cc1ccc(cc1C#N)C2=CCCNC2 AIFCHEM-6360185563 [0,1,1,0,0,0|1,0,1]=4 275 B16R2.2321 Cc1ccc(cc1C=O)C2=CCCNC2 AIFCHEM-6371718268 [0,1,1,0,0,0|1,0,1]=4 276 B16R2.2321 NCc1cc(ccc1F)C2=CCCCC2 AIFCHEM-94543094661 [0,1,1,0,0,0|2,0,0]=4 277 B16R2.2321 NCc1cc(ccc1O)C2=CCCCC2 AIFCHEM-5612177836 [0,1,1,0,0,0|2,0,0]=4 278 B16R2.2321 NCc1cc(ccc1O)C2=CCCNC2 AIFCHEM-5660631620 [0,1,1,0,0,0|1,0,0]=3 279 B16R2.2321 NCc1cc(cnc1N)C2=CCCNC2 AIFCHEM-94536795782 [0,1,1,0,0,0|2,0,0]=4 280 B16R2.309 Cc1cc(=O)n(cc1C2=CCCNC2)C AIFCHEM-94591594857 [0,1,1,0,0,0|2,0,0]=4 281 B16R2.309 Cc1cc(c(=O)[nH]c1C)C2=CCCNC2 AIFCHEM-6366127760 [0,1,1,0,0,0|1,0,0]=3 282 B16R2.309 Cc1cc(c(cc1C)C2=CCCCC2)N AIFCHEM-5976269382 [0,1,1,0,0,0|1,0,0]=3 283 B16R2.309 Cc1cc(c(cc1C)C2=CCCCC2)O AIFCHEM-6335750515 [0,1,1,0,0,0|1,0,0]=3 284 B16R2.309 Cc1cc(c(cc1C)C2=CCNCC2)C AIFCHEM-6303950850 [0,1,1,0,0,0|2,0,0]=4 285 B16R2.309 Cc1cc(c(cc1N)C)C2=CCCCC2 AIFCHEM-6170787583 [0,1,1,0,0,0|2,0,0]=4 286 B16R2.309 Cc1cc(c(cc1N)C)C2=CCCNC2 AIFCHEM-6170908099 [0,1,1,0,0,0|1,0,0]=3 287 B16R2.309 Cc1cc(c(cc1N)C2=CCCNC2)F AIFCHEM-5893558402 [0,1,1,0,0,0|1,0,0]=3 288 B16R2.309 Cc1cc(c(cc1N)F)C2=CCCNC2 AIFCHEM-5716592058 [0,1,1,0,0,0|1,0,0]=3 289 B16R2.309 Cc1cc(c(nc1C)N)C2=CCCNC2 AIFCHEM-6185032502 [0,1,1,0,0,0|1,0,0]=3 290 B16R2.309 Cc1nc(c(nc1C)C2=CCCNC2)N AIFCHEM-6116831748 [0,1,1,0,0,0|2,0,0]=4 291 B16R2.309 Oc1cc(c(cc1C2=CCCNC2)F)F AIFCHEM-6416049121 [0,1,1,0,0,0|2,0,0]=4 292 B16R2.311 Cc1c(c[nH]c(=O)c1C)C2=CCCNC2 AIFCHEM-6353222423 [0,1,1,0,0,0|2,0,0]=4 293 B16R2.311 Cc1c(ccc(c1C)C2=CCCNC2)N AIFCHEM-5687635617 [0,1,1,0,0,0|1,0,0]=3 294 B16R2.311 Cc1c(ccc(c1F)C2=CCCCC2)N AIFCHEM-6198313547 [0,1,1,0,0,0|2,0,0]=4 295 B16R2.311 Cc1c(ccc(c1F)C2=CCCNC2)N AIFCHEM-6197579678 [0,1,1,0,0,0|1,0,0]=3 296 B16R2.311 Cc1c(ccc(c1F)C2=CCCNC2)O AIFCHEM-6401335010 [0,1,1,0,0,0|1,0,0]=3 297 B16R2.311 Cc1ccc(c(c1C)F)C2=CCOCC2 AIFCHEM-6295288392 [0,1,1,0,0,0|2,0,0]=4 298 B16R2.311 Cc1ccc(c(c1F)F)C2=CCCNC2 AIFCHEM-6428680695 [0,1,1,0,0,0|1,0,0]=3 299 B16R2.311 Nc1c(ccc(c1F)C2=CCCNC2)F AIFCHEM-6173995399 [0,1,1,0,0,0|2,0,0]=4 300 B16R2.311 Oc1c(ccc(c1F)F)C2=CCCNC2 AIFCHEM-6415086993 [0,1,1,0,0,0|2,0,0]=4 301 B16R2.2864 Cc1cc(ccc1O)C2=CCC(CC2)O AIFCHEM-6378247129 [0,1,1,0,0,0|2,0,0]=4 302 B16R2.2864 Cc1cc(cnc1C)C2=CCC(CC2)C AIFCHEM-6339467436 [0,1,1,0,0,0|2,0,0]=4 303 B16R2.2864 Cc1cc(cnc1C)C2=CCC(CC2)O AIFCHEM-6332078480 [0,1,1,0,0,0|2,0,0]=4 304 B16R2.2864 Cc1ccc(cc1F)C2=CCC(CC2)C AIFCHEM-6384303417 [0,1,1,0,0,0|2,0,0]=4 305 B16R2.2864 Cc1ccc(cc1O)C2=CCC(CC2)O AIFCHEM-6353321498 [0,1,1,0,0,0|2,0,0]=4 306 B16R2.2864 Cc1cnc(cc1C)C2=CCC(CC2)O AIFCHEM-6433109086 [0,1,1,0,0,0|2,0,0]=4 307 B16R2.2917 CN1CCC=C(C1)c2ccc(c(c2)F)O AIFCHEM-6281459494 [0,1,1,0,0,0|2,0,0]=4 308 B16R2.2917 CN1CCC=C(C1)c2ccc(c(c2)N)F AIFCHEM-6156649101 [0,1,1,0,0,0|2,0,0]=4 309 B16R2.2917 CN1CCC=C(C1)c2ccc(c(c2)N)O AIFCHEM-5836684214 [0,1,1,0,0,0|2,0,0]=4 310 B16R2.2917 CN1CCC=C(C1)c2ccc(c(c2)O)O AIFCHEM-6368177819 [0,1,1,0,0,0|2,0,0]=4 311 B16R2.2917 Cc1c[nH]c(cc1=O)C2=CCCN(C2)C AIFCHEM-6413567072 [0,1,1,0,0,0|2,0,0]=4 312 B16R2.2917 Cc1cc(c[nH]c1=O)C2=CCCN(C2)C AIFCHEM-6391393466 [0,1,1,0,0,0|2,0,0]=4 313 B16R2.2917 Cc1cc(ccc1O)C2=CCCN(C2)C AIFCHEM-6372726178 [0,1,1,0,0,0|1,0,0]=3 314 B16R2.2917 Cc1ccc(cc1O)C2=CCCN(C2)C AIFCHEM-6371748501 [0,1,1,0,0,0|1,0,0]=3 315 B16R2.2917 Cc1ccc(nc1C)C2=CCCN(C2)C AIFCHEM-6448696447 [0,1,1,0,0,0|1,0,0]=3 316 B16R2.2917 Cc1cnc(cc1F)C2=CCCN(C2)C AIFCHEM-6367425592 [0,1,1,0,0,0|2,0,0]=4 317 B16R2.2917 Cc1ncc(nc1C)C2=CCCN(C2)C AIFCHEM-6418023509 [0,1,1,0,0,0|2,0,0]=4 318 B16R2.22304 Cc1c(cc(cc1F)C2=CCCCC2)F AIFCHEM-6303074644 [0,1,1,0,0,0|2,0,0]=4 319 B16R2.22304 Cc1c(cc(cc1F)C2=CCCCC2)N AIFCHEM-5694808500 [0,1,1,0,0,0|2,0,0]=4 320 B16R2.22304 Cc1c(cc(cc1F)C2=CCCNC2)N AIFCHEM-5771586890 [0,1,1,0,0,0|1,0,0]=3 321 B16R2.22304 Cc1cc(cc(c1F)O)C2=CCCCC2 AIFCHEM-94526552481 [0,1,1,0,0,0|2,0,0]=4 322 B16R2.22304 Cc1cc(cc(c1F)O)C2=CCCNC2 AIFCHEM-94526550877 [0,1,1,0,0,0|1,0,0]=3 323 B16R2.22304 Cc1cc(cc(c1N)C)C2=CCCNC2 AIFCHEM-5650902784 [0,1,1,0,0,0|1,0,0]=3 324 B16R2.22304 Cc1cc(cc(c1N)F)C2=CCCNC2 AIFCHEM-6207885630 [0,1,1,0,0,0|1,0,0]=3 325 B16R2.22304 Cc1cc(cc(c1N)O)C2=CCCCC2 AIFCHEM-5768266434 [0,1,1,0,0,0|2,0,0]=4 326 B16R2.22304 Cc1cc(cc(c1O)C)C2=CCCNC2 AIFCHEM-6371497471 [0,1,1,0,0,0|1,0,0]=3 327 B16R2.22304 Cc1cc(cc(c1O)N)C2=CCCNC2 AIFCHEM-94536947612 [0,1,1,0,0,0|1,0,0]=3 328 B16R2.22304 Cn1cc(cc(c1=O)F)C2=CCCNC2 AIFCHEM-6453979998 [0,1,1,0,0,0|2,0,0]=4 329 B16R2.22304 Nc1c(cc(cc1F)C2=CCCNC2)F AIFCHEM-6245442539 [0,1,1,0,0,0|2,0,0]=4 330 B16R2.22304 Oc1cc(cc(c1O)F)C2=CCCNC2 AIFCHEM-6360771714 [0,1,1,0,0,0|2,0,0]=4 331 B16R2.22304 Oc1cc(cc(c1O)O)C2=CCCNC2 AIFCHEM-6482944806 [0,1,1,0,0,0|2,0,0]=4 332 B16R2.155455 CCCN(C(=O)C)c1ccc2c(c1)CC2 AIFCHEM-98288106715 [0,1,1,0,0,0|2,0,0]=4 333 B16R3.2035 Cn1cc(cn1)c2ccc3c(c2)CC3 AIFCHEM-6356605075 [0,1,0,0,1,0|1,0,1]=4 334 B16R3.2383 Cn1cncc1c2ccc3c(c2)CC3 AIFCHEM-6381075722 [0,1,0,0,1,0|1,0,1]=4 335 B18R3.151 Cc1nc2cc(ccc2s1)C3=CCCNC3 AIFCHEM-6340116780 [0,1,0,0,0,1|1,0,1]=4 336 B18R3.151 O=C1Cc2cc(ccc2N1)C3=CCCCC3 AIFCHEM-6383580146 [0,1,0,0,0,1|1,0,1]=4 337 B18R3.151 O=C1Cc2cc(ccc2N1)C3=CCCNC3 AIFCHEM-6358584130 [0,1,0,0,0,1|0,0,1]=3 338 B18R3.151 O=C1Cc2ccc(cc2C1)C3=CCSCC3 AIFCHEM-6432193374 [0,1,0,0,0,1|2,0,0]=4 339 B18R3.151 O=C1Cc2ccc(cc2C1)C3=COCCC3 AIFCHEM-6433939379 [0,1,0,0,0,1|2,0,0]=4 340 B18R3.151 O=C1Cc2ccc(cc2N1)C3=CCCCC3 AIFCHEM-6433997170 [0,1,0,0,0,1|1,0,1]=4 341 B18R3.151 O=c1[nH]c2cc(ccc2s1)C3=CCCNC3 AIFCHEM-6295644758 [0,1,0,0,0,1|1,0,1]=4 342 B18R3.151 OC1Cc2ccc(cc2C1)C3=CCOCC3 AIFCHEM-6345615277 [0,1,0,0,0,1|2,0,0]=4 343 B18R3.171 Fc1cc2[nH]ncc2cc1C3=CCCNC3 AIFCHEM-6193830749 [0,1,0,0,0,1|1,0,1]=4 344 B18R3.171 Fc1cc2nsnc2cc1C3=CCCNC3 AIFCHEM-94535479020 [0,1,0,0,0,1|2,0,0]=4 345 B18R3.171 Oc1cc2[nH]ncc2cc1C3=CCCNC3 AIFCHEM-6335500674 [0,1,0,0,0,1|1,0,1]=4 346 B18R3.171 Oc1cc2c(cc1C3=CCNCC3)CCC2 AIFCHEM-6311352412 [0,1,0,0,0,1|2,0,0]=4 347 B18R3.171 Oc1cc2c(cc1C3=COCCC3)CCC2 AIFCHEM-6311270923 [0,1,0,0,0,1|2,0,0]=4 348 B18R3.171 Oc1cc2cn[nH]c2cc1C3=CCCNC3 AIFCHEM-6301867513 [0,1,0,0,0,1|1,0,1]=4 349 B18R3.2972 CC1CC=C(CC1)c2ccc3c(c2)CCC3 AIFCHEM-6327428695 [0,1,0,0,0,1|1,0,0]=3 350 B18R3.2972 CC1CC=C(CC1)c2ccc3c(c2)NCC3 AIFCHEM-94558771278 [0,1,0,0,0,1|1,0,0]=3 351 B18R3.2972 CN1CC=C(CC1)c2ccc3c(c2)CCN3 AIFCHEM-5897369099 [0,1,0,0,0,1|2,0,0]=4 352 B18R3.2972 CN1CC=C(CC1)c2ccc3c(c2)COC3 AIFCHEM-6315791661 [0,1,0,0,0,1|2,0,0]=4 353 B18R3.2972 NC1CC=C(CC1)c2ccc3c(c2)CNC3 AIFCHEM-94531778939 [0,1,0,0,0,1|1,0,0]=3 354 B18R3.2972 NC1CC=C(CC1)c2ccc3c(c2)OCO3 AIFCHEM-94531775257 [0,1,0,0,0,1|2,0,0]=4 355 B18R3.2972 NC1CC=C(CC1)c2ccc3c(n2)CCN3 AIFCHEM-94531766854 [0,1,0,0,0,1|2,0,0]=4 356 B18R3.2972 OC1CC=C(CC1)c2ccc3c(c2)CNC3 AIFCHEM-5840685782 [0,1,0,0,0,1|1,0,0]=3 357 B18R3.2972 OC1CC=C(CC1)c2ccc3c(c2)COC3 AIFCHEM-6315651766 [0,1,0,0,0,1|1,0,0]=3 358 B18R3.2972 OC1CC=C(CC1)c2cnc3c(c2)CNC3 AIFCHEM-94602260898 [0,1,0,0,0,1|2,0,0]=4 359 B18R3.3026 CN1CCC=C(C1)c2ccc3c(c2)OCC3 AIFCHEM-6322455799 [0,1,0,0,0,1|0,0,0]=2 360 B18R3.3026 CN1CCC=C(C1)c2ccc3cc[nH]c3c2 AIFCHEM-6471884120 [0,1,0,0,0,1|0,0,2]=4 361 B18R3.3026 CN1CCC=C(C1)c2ccc3cn[nH]c3c2 AIFCHEM-6471520341 [0,1,0,0,0,1|1,0,1]=4 362 B18R3.3026 CN1CCC=C(C1)c2ccc3ncoc3c2 AIFCHEM-6307448676 [0,1,0,0,0,1|1,0,1]=4 363 B18R3.3026 CN1CCC=C(C1)c2ccc3nonc3c2 AIFCHEM-6354238512 [0,1,0,0,0,1|2,0,0]=4 364 B18R3.3026 CN1CCC=C(C1)c2ccc3nsnc3c2 AIFCHEM-6186764206 [0,1,0,0,0,1|2,0,0]=4 365 B18R3.3026 CN1CCC=C(C1)c2ccc3sccc3c2 AIFCHEM-6297653618 [0,1,0,0,0,1|0,0,2]=4 366 B18R3.3026 CN1CCC=C(C1)c2ccc3scnc3c2 AIFCHEM-6348891221 [0,1,0,0,0,1|1,0,1]=4 367 B18R3.3026 CN1CCC=C(C1)c2cnc3c(c2)CCN3 AIFCHEM-5630068923 [0,1,0,0,0,1|1,0,0]=3 368 B18R3.4180 CN1CCc2c1ccc(c2)C3=CCCCC3 AIFCHEM-6295917055 [0,1,0,0,0,1|1,0,0]=3 369 B18R3.4180 CN1CCc2c1ccc(c2)C3=CCCCO3 AIFCHEM-6360004688 [0,1,0,0,0,1|2,0,0]=4 370 B18R3.4180 CN1CCc2c1ccc(c2)C3=CCCNC3 AIFCHEM-6349197887 [0,1,0,0,0,1|0,0,0]=2 371 B18R3.4180 CN1CCc2c1ccc(c2)C3=CCNCC3 AIFCHEM-6349797671 [0,1,0,0,0,1|2,0,0]=4 372 B18R3.4180 CN1CCc2c1ccc(c2)C3=CCOCC3 AIFCHEM-6383976856 [0,1,0,0,0,1|2,0,0]=4 373 B18R3.4180 CN1CCc2c1ccc(c2)C3=CCSCC3 AIFCHEM-6360069260 [0,1,0,0,0,1|2,0,0]=4 374 B18R3.4180 CN1CCc2c1ccc(c2)C3=COCCC3 AIFCHEM-6348778572 [0,1,0,0,0,1|2,0,0]=4 375 B18R3.4180 Cn1ccc2c1ccc(c2)C3=CCCNC3 AIFCHEM-6346784285 [0,1,0,0,0,1|0,0,2]=4 376 B18R3.4180 Cn1ncc2c1ccc(c2)C3=CCCNC3 AIFCHEM-6393457707 [0,1,0,0,0,1|1,0,1]=4 377 B18R3.4180 NC1CCc2c1ccc(c2)C3=CCCNC3 AIFCHEM-94597289758 [0,1,0,0,0,1|0,0,0]=2 378 B18R3.4180 NC1CCc2c1ccc(c2)C3=CCNCC3 AIFCHEM-5977245681 [0,1,0,0,0,1|2,0,0]=4 379 B18R3.4180 NC1COc2c1ccc(c2)C3=CCCNC3 AIFCHEM-5783661767 [0,1,0,0,0,1|0,0,0]=2 380 B18R3.4180 NC1COc2c1ccc(c2)C3=CCNCC3 AIFCHEM-94585683412 [0,1,0,0,0,1|2,0,0]=4 381 B18R3.4180 N[C@@H]1CCc2c1ccc(c2)C3=CCCNC3 AIFCHEM-5869224002 [0,1,0,0,0,1|0,0,0]=2 382 B18R3.4180 N[C@@H]1CCc2c1ccc(c2)C3=CCNCC3 AIFCHEM-5878405589 [0,1,0,0,0,1|2,0,0]=4 383 B18R3.4180 N[C@H]1CCc2c1ccc(c2)C3=CCCNC3 AIFCHEM-94608412998 [0,1,0,0,0,1|0,0,0]=2 384 B18R3.4180 N[C@H]1CCc2c1ccc(c2)C3=CCNCC3 AIFCHEM-94608411478 [0,1,0,0,0,1|2,0,0]=4 385 B18R3.4180 O=C1CCc2c1ccc(c2)C3=COCCC3 AIFCHEM-6379715646 [0,1,0,0,0,1|2,0,0]=4 386 B18R3.4180 O=C1COc2c1ccc(c2)C3=CCCCC3 AIFCHEM-6369525863 [0,1,0,0,0,1|1,0,1]=4 387 B18R3.4180 O=C1NCc2c1ccc(c2)C3=CCCNC3 AIFCHEM-6337978018 [0,1,0,0,0,1|0,0,1]=3 388 B18R3.4180 OC1CCc2c1ccc(c2)C3=CCCCC3 AIFCHEM-6478007923 [0,1,0,0,0,1|1,0,0]=3 389 B18R3.4180 OC1CCc2c1ccc(c2)C3=CCSCC3 AIFCHEM-6409299633 [0,1,0,0,0,1|2,0,0]=4 390 B18R3.4180 OC1COc2c1ccc(c2)C3=COCCC3 AIFCHEM-6483159538 [0,1,0,0,0,1|2,0,0]=4 391 B18R3.4323 Cc1c(ccc2c1OCO2)C3=CCCCC3 AIFCHEM-6374431575 [0,1,0,0,0,1|2,0,0]=4 392 B18R3.4323 Fc1c(ccc2c1OCO2)C3=CCCNC3 AIFCHEM-6321372100 [0,1,0,0,0,1|1,0,0]=3 393 B18R3.4323 Fc1c(ccc2c1[nH]nc2)C3=CCCNC3 AIFCHEM-6396990595 [0,1,0,0,0,1|1,0,1]=4 394 B18R3.4323 Nc1c(ccc2c1OCO2)C3=CCCNC3 AIFCHEM-6132308664 [0,1,0,0,0,1|1,0,0]=3 395 B18R3.6550 Cc1cc(cc2c1cn[nH]2)C3=CCCNC3 AIFCHEM-6349316924 [0,1,0,0,0,1|1,0,1]=4 396 B18R3.6550 Fc1cc(cc2c1[nH]cc2)C3=CCCNC3 AIFCHEM-6358338595 [0,1,0,0,0,1|0,0,2]=4 397 B18R3.6550 Nc1cc(cc2c1[nH]nc2)C3=CCCNC3 AIFCHEM-5833711100 [0,1,0,0,0,1|1,0,1]=4 398 B18R3.6550 Nc1cc(cc2c1cc[nH]2)C3=CCCNC3 AIFCHEM-5797707418 [0,1,0,0,0,1|0,0,2]=4 399 B18R3.6550 Oc1cc(cc2c1cn[nH]2)C3=CCCNC3 AIFCHEM-6364165485 [0,1,0,0,0,1|1,0,1]=4 400 B18R3.53542 Cc1c[nH]c2c1cc(cc2)C3=CCCNC3 AIFCHEM-6384997524 [0,1,0,0,0,1|0,0,2]=4 401 B18R3.53542 NC1COc2c1cc(cc2)C3=CCCCO3 AIFCHEM-5675260963 [0,1,0,0,0,1|2,0,0]=4 402 B18R3.53542 NC1COc2c1cc(cc2)C3=CCSCC3 AIFCHEM-5674350419 [0,1,0,0,0,1|2,0,0]=4 403 B18R3.53542 O=C1CCc2c1cc(cc2)C3=CCCCO3 AIFCHEM-6318509458 [0,1,0,0,0,1|2,0,0]=4 404 B18R3.53542 O=C1CCc2c1cc(cc2)C3=CCCNC3 AIFCHEM-6341484043 [0,1,0,0,0,1|0,0,0]=2 405 B18R3.53542 O=C1CCc2c1cc(cn2)C3=CCCNC3 AIFCHEM-6454094472 [0,1,0,0,0,1|1,0,0]=3 406 B18R3.53542 O=C1CCc2c1nc(cc2)C3=CCCNC3 AIFCHEM-6351381586 [0,1,0,0,0,1|1,0,0]=3 407 B18R3.53542 O=C1NCc2c1cc(cn2)C3=CCCNC3 AIFCHEM-6383700158 [0,1,0,0,0,1|1,0,1]=4 408 B18R3.53542 O=c1[nH]oc2c1cc(cc2)C3=CCCNC3 AIFCHEM-6475728923 [0,1,0,0,0,1|1,0,1]=4 409 B18R3.53542 OC1CCc2c1cc(cc2)C3=CCCCC3 AIFCHEM-6351698247 [0,1,0,0,0,1|1,0,0]=3 410 B18R3.53542 OC1CCc2c1cc(cc2)C3=CCOCC3 AIFCHEM-6302704493 [0,1,0,0,0,1|2,0,0]=4 411 B18R3.53542 OC1CCc2c1cc(cc2)C3=CCSCC3 AIFCHEM-6379821462 [0,1,0,0,0,1|2,0,0]=4 412 B18R3.474680 O=S1(=O)CC=C(CC1)c2ccc3c(c2)CC3 AIFCHEM-6308203920 [0,2,0,0,0,0|2,0,0]=4 413 B14R1.776 CCCCC=Cc1ccc(cc1)CN AIFCHEM-94592183042 [0,0,2,0,0,0|2,0,0]=4 414 B14R1.776 CCCCC=Cc1ccc(cc1)NC AIFCHEM-94568456971 [0,0,2,0,0,0|2,0,0]=4 415 B14R1.228 CCCCC=Cc1cc(ccn1)CC AIFCHEM-6409269160 [0,0,2,0,0,0|2,0,0]=4 416 B14R1.228 CCCCC=Cc1cccc(c1)CC AIFCHEM-6321273134 [0,0,2,0,0,0|1,0,0]=3 417 B14R1.228 CCCCC=Cc1cccc(c1)CN AIFCHEM-94533633884 [0,0,2,0,0,0|2,0,0]=4 418 B14R1.228 CCCCC=Cc1cccc(c1)OC AIFCHEM-94547741011 [0,0,2,0,0,0|2,0,0]=4 419 B14R1.228 CCCCC=Cc1ccnc(c1)CC AIFCHEM-6321162884 [0,0,2,0,0,0|2,0,0]=4 420 B14R1.232 CCCCC=Cc1ccc(c(c1)N)C AIFCHEM-6102665596 [0,0,2,0,0,0|2,0,0]=4 421 B14R1.232 CCCCC=Cc1cnc(c(c1)C)C AIFCHEM-6296194681 [0,0,2,0,0,0|2,0,0]=4 422 B14R2.1 CCc1ccc(cc1)c2cn[nH]n2 AIFCHEM-6366364966 [0,0,1,0,1,0|2,0,0]=4 423 B14R2.1 CCc1ccc(nc1)C2=CCCC2 AIFCHEM-6363216698 [0,0,1,0,1,0|1,0,0]=3 424 B14R2.1 CCc1ccc(nc1)C2=COCC2 AIFCHEM-6288304685 [0,0,1,0,1,0|2,0,0]=4 425 B14R2.1 CNc1ccc(cc1)C2=CCCC2 AIFCHEM-5748604074 [0,0,1,0,1,0|1,0,0]=3 426 B14R2.1 CNc1ccc(cn1)C2=CCCC2 AIFCHEM-6036702035 [0,0,1,0,1,0|2,0,0]=4 427 B14R2.1 COc1ccc(cc1)C2=CCCC2 AIFCHEM-94553274362 [0,0,1,0,1,0|1,0,0]=3 428 B14R2.1 COc1ccc(cn1)C2=CCNC2 AIFCHEM-6307590248 [0,0,1,0,1,0|2,0,0]=4 429 B14R2.1 N#Cc1ccc(cc1)C2=CCCC2 AIFCHEM-6357308922 [0,0,1,0,1,0|1,0,1]=4 430 B14R2.1 NCc1ccc(cc1)C2=CCOC2 AIFCHEM-94592182395 [0,0,1,0,1,0|2,0,0]=4 431 B14R2.1 O=Cc1ccc(cc1)C2=CCCC2 AIFCHEM-6470581589 [0,0,1,0,1,0|1,0,1]=4 432 B14R2.1 O=Cc1ccc(cc1)C2=CCNC2 AIFCHEM-6316581309 [0,0,1,0,1,0|1,0,1]=4 433 B14R2.1 OCc1ccc(cc1)C2=CCCC2 AIFCHEM-6194470558 [0,0,1,0,1,0|1,0,0]=3 434 B14R2.1 OCc1ccc(cc1)C2=CCOC2 AIFCHEM-6331095506 [0,0,1,0,1,0|2,0,0]=4 435 B14R2.8 CCc1ccc(s1)C2=CCCCC2 AIFCHEM-6362271321 [0,0,1,0,1,0|2,0,0]=4 436 B14R2.10 CCc1cc(ccn1)C2=CCCC2 AIFCHEM-6297761703 [0,0,1,0,1,0|1,0,0]=3 437 B14R2.10 CCc1cc(ccn1)C2=COCC2 AIFCHEM-6326736101 [0,0,1,0,1,0|2,0,0]=4 438 B14R2.10 CCc1cccc(c1)C2=CCCC2 AIFCHEM-6334064228 [0,0,1,0,1,0|0,0,0]=2 439 B14R2.10 CCc1cccc(c1)c2ccn[nH]2 AIFCHEM-6325622624 [0,0,1,0,1,0|1,0,1]=4 440 B14R2.10 CCc1cccc(c1)c2cn[nH]n2 AIFCHEM-6365794387 [0,0,1,0,1,0|2,0,0]=4 441 B14R2.10 CCc1cccc(n1)C2=CCNC2 AIFCHEM-6306688297 [0,0,1,0,1,0|1,0,0]=3 442 B14R2.10 CCc1ccnc(c1)C2=COCC2 AIFCHEM-6485501831 [0,0,1,0,1,0|2,0,0]=4 443 B14R2.10 CCc1cncc(c1)C2=CCNC2 AIFCHEM-6472207307 [0,0,1,0,1,0|1,0,0]=3 444 B14R2.10 COc1cc(ccn1)C2=CCNC2 AIFCHEM-6400901392 [0,0,1,0,1,0|2,0,0]=4 445 B14R2.10 COc1cccc(c1)C2=CCCC2 AIFCHEM-94547742394 [0,0,1,0,1,0|1,0,0]=3 446 B14R2.10 COc1cccc(c1)C2=CCOC2 AIFCHEM-94547741979 [0,0,1,0,1,0|2,0,0]=4 447 B14R2.10 CSc1cccc(c1)C2=CCNC2 AIFCHEM-6413670917 [0,0,1,0,1,0|1,0,0]=3 448 B14R2.10 N#Cc1cccc(c1)C2=CCNC2 AIFCHEM-6308545147 [0,0,1,0,1,0|1,0,1]=4 449 B14R2.10 OCc1cc(ccn1)C2=CCCC2 AIFCHEM-6437208120 [0,0,1,0,1,0|2,0,0]=4 450 B14R2.10 OCc1cccc(c1)C2=COCC2 AIFCHEM-6458566014 [0,0,1,0,1,0|2,0,0]=4 451 B14R2.10 OCc1cccc(n1)C2=CCNC2 AIFCHEM-6294912183 [0,0,1,0,1,0|2,0,0]=4 452 B14R2.14 NCc1ccsc1C2=CCCNC2 AIFCHEM-5930954346 [0,0,1,0,1,0|2,0,0]=4 453 B14R2.14 OCc1cscc1C2=CCCNC2 AIFCHEM-6309383829 [0,0,1,0,1,0|2,0,0]=4 454 B14R2.70 Cc1cc(ccc1O)C2=CCOC2 AIFCHEM-6311367129 [0,0,1,0,1,0|2,0,0]=4 455 B14R2.70 Cc1cc(cnc1C)C2=CCCC2 AIFCHEM-6295889011 [0,0,1,0,1,0|1,0,0]=3 456 B14R2.70 Cc1ccc(cc1F)C2=CCCC2 AIFCHEM-6451790545 [0,0,1,0,1,0|1,0,0]=3 457 B14R2.70 Cc1ccc(cc1N)C2=CCNC2 AIFCHEM-5852254268 [0,0,1,0,1,0|1,0,0]=3 458 B14R2.70 Cc1ccc(cc1N)C2=COCC2 AIFCHEM-5799507966 [0,0,1,0,1,0|2,0,0]=4 459 B14R2.70 Cc1ccc(nc1C)C2=CCNC2 AIFCHEM-6417300218 [0,0,1,0,1,0|1,0,0]=3 460 B14R2.70 Cc1cnc(cc1C)C2=CCCC2 AIFCHEM-6442626411 [0,0,1,0,1,0|1,0,0]=3 461 B14R2.70 Cc1cnc(cc1C)C2=CCNC2 AIFCHEM-6432853252 [0,0,1,0,1,0|1,0,0]=3 462 B14R2.70 Cc1cnc(cc1F)C2=CCNC2 AIFCHEM-6359900880 [0,0,1,0,1,0|2,0,0]=4 463 B14R2.70 Cc1ncc(cc1N)C2=CCCC2 AIFCHEM-6041338594 [0,0,1,0,1,0|2,0,0]=4 464 B14R2.70 Cn1cc(ccc1=O)C2=CCNC2 AIFCHEM-6356553403 [0,0,1,0,1,0|2,0,0]=4 465 B14R2.70 Cn1ccc(cc1=O)C2=CCNC2 AIFCHEM-6406477037 [0,0,1,0,1,0|2,0,0]=4 466 B14R2.70 Nc1cc(ccc1F)C2=CCNC2 AIFCHEM-5708976757 [0,0,1,0,1,0|2,0,0]=4 467 B14R2.70 Oc1ccc(cc1O)C2=CCCC2 AIFCHEM-6426905882 [0,0,1,0,1,0|2,0,0]=4 468 B14R2.70 Oc1ccc(cc1O)C2=CCNC2 AIFCHEM-6398410004 [0,0,1,0,1,0|2,0,0]=4 469 B14R2.260 Cc1nc(sc1C)C2=CCCNC2 AIFCHEM-6281717750 [0,0,1,0,1,0|2,0,0]=4 470 B14R2.4514 Cc1c(cnn1C)C2=CCCNC2 AIFCHEM-6334665468 [0,0,1,0,1,0|2,0,0]=4 471 B16R2.3080 CNc1ccc(cc1)C2=CCCCCC2 AIFCHEM-5742050578 [0,0,1,0,0,1|2,0,0]=4 472 B16R2.3080 CSc1ccc(cc1)C2=CCCCCC2 AIFCHEM-6307952653 [0,0,1,0,0,1|2,0,0]=4 473 B16R2.3080 NCc1ccc(cc1)C2=CCCCCC2 AIFCHEM-94592182811 [0,0,1,0,0,1|2,0,0]=4 474 B16R2.7399 CCc1ccnc(c1)C2=CCCCCC2 AIFCHEM-6409392374 [0,0,1,0,0,1|2,0,0]=4 475 B16R2.7399 CSc1cccc(c1)C2=CCCCCC2 AIFCHEM-6486290511 [0,0,1,0,0,1|2,0,0]=4 476 B16R2.33213 Cc1cc(cnc1C)C2=CCCCCC2 AIFCHEM-6290275844 [0,0,1,0,0,1|2,0,0]=4 477 B16R2.33213 Cc1ccc(nc1C)C2=CCCCCC2 AIFCHEM-6417343334 [0,0,1,0,0,1|2,0,0]=4 478 B16R2.3136 CCCCC=Cc1ccc2c(c1)OCC2 AIFCHEM-6322247906 [0,0,1,0,0,1|1,0,0]=3 479 B16R2.3136 CCCCC=Cc1cnc2c(c1)CCC2 AIFCHEM-6296593286 [0,0,1,0,0,1|2,0,0]=4 480 B16R3.1779 C1=C(CCC1)c2ccc3c(c2)CCC3 AIFCHEM-6322253051 [0,0,0,0,1,1|0,0,0]=2 481 B16R3.1779 C1=C(CCC1)c2ccc3cnoc3c2 AIFCHEM-6411041891 [0,0,0,0,1,1|1,0,1]=4 482 B16R3.1779 C1=C(CCC1)c2ccc3ncsc3c2 AIFCHEM-6356325284 [0,0,0,0,1,1|1,0,1]=4 483 B16R3.1779 C1=C(CCC1)c2ccc3nonc3c2 AIFCHEM-6336081503 [0,0,0,0,1,1|2,0,0]=4 484 B16R3.1779 C1=C(CCC1)c2ccc3nsnc3c2 AIFCHEM-6221476078 [0,0,0,0,1,1|2,0,0]=4 485 B16R3.1779 C1=C(CCC1)c2ccc3occc3c2 AIFCHEM-6329296789 [0,0,0,0,1,1|0,0,2]=4 486 B16R3.1779 C1=C(CCC1)c2cnc3c(c2)CCN3 AIFCHEM-5606258158 [0,0,0,0,1,1|1,0,0]=3 487 B16R3.1779 C1=C(CCO1)c2ccc3c(c2)CNC3 AIFCHEM-94605741064 [0,0,0,0,1,1|1,0,0]=3 488 B16R3.1779 C1=C(CNC1)c2ccc3c(c2)CNC3 AIFCHEM-5883433607 [0,0,0,0,1,1|0,0,0]=2 489 B16R3.1779 C1=C(CNC1)c2ccc3c(c2)NCC3 AIFCHEM-5697444294 [0,0,0,0,1,1|0,0,0]=2 490 B16R3.1779 C1=C(CNC1)c2ccc3c(c2)OCC3 AIFCHEM-6361497014 [0,0,0,0,1,1|0,0,0]=2 491 B16R3.1779 C1=C(CNC1)c2ccc3n[nH]cc3c2 AIFCHEM-94600635048 [0,0,0,0,1,1|1,0,1]=4 492 B16R3.1779 C1=C(CNC1)c2ccc3ncoc3c2 AIFCHEM-6376553446 [0,0,0,0,1,1|1,0,1]=4 493 B16R3.1779 C1=C(CNC1)c2ccc3ncsc3c2 AIFCHEM-6345576635 [0,0,0,0,1,1|1,0,1]=4 494 B16R3.1779 C1=C(CNC1)c2ccc3nonc3c2 AIFCHEM-6336065147 [0,0,0,0,1,1|2,0,0]=4 495 B16R3.1779 C1=C(CNC1)c2ccc3nsnc3c2 AIFCHEM-6274545377 [0,0,0,0,1,1|2,0,0]=4 496 B16R3.1779 C1=C(CNC1)c2ccc3ocnc3c2 AIFCHEM-94565734438 [0,0,0,0,1,1|1,0,1]=4 497 B16R3.1779 C1=C(COC1)c2ccc3c(c2)COC3 AIFCHEM-6315091682 [0,0,0,0,1,1|1,0,0]=3 498 B16R3.1779 C1=C(COC1)c2ccc3c(c2)OCO3 AIFCHEM-6339745824 [0,0,0,0,1,1|2,0,0]=4 499 B16R3.1779 C1=C(COC1)c2cnc3c(c2)CNC3 AIFCHEM-94602261800 [0,0,0,0,1,1|2,0,0]=4 500 B16R3.1779 c1cc(c[nH]1)c2ccc3c(c2)CCC3 AIFCHEM-6298029205 [0,0,0,0,1,1|0,0,2]=4 501 B16R3.1779 c1cc(c[nH]1)c2ccc3c(c2)COC3 AIFCHEM-6319681575 [0,0,0,0,1,1|0,0,2]=4 502 B16R3.1779 c1cc2c(cc1c3cn[nH]c3)CCC2 AIFCHEM-6301519676 [0,0,0,0,1,1|1,0,1]=4 503 B16R3.1779 c1cc2c(cc1c3cn[nH]c3)NCC2 AIFCHEM-94558768872 [0,0,0,0,1,1|1,0,1]=4 504 B16R3.1779 c1cc2c(cc1c3cn[nH]n3)CCN2 AIFCHEM-94553322340 [0,0,0,0,1,1|2,0,0]=4 505 B18R3.2123 C1=C(CCCC1)c2ccc3c(c2)CCCN3 AIFCHEM-94523626592 [0,0,0,0,0,2|1,0,0]=3 506 B18R3.2123 C1=C(CCCC1)c2cnc3c(c2)NCCO3 AIFCHEM-5703562711 [0,0,0,0,0,2|2,0,0]=4 507 B18R3.2123 C1=C(CCCO1)c2ccc3c(c2)CCCN3 AIFCHEM-94523625486 [0,0,0,0,0,2|2,0,0]=4 508 B18R3.2123 C1=C(CCCO1)c2ccc3c(c2)COCC3 AIFCHEM-6434559749 [0,0,0,0,0,2|2,0,0]=4 509 B18R3.2123 C1=C(CCCO1)c2ccc3c(c2)OCCO3 AIFCHEM-6315498880 [0,0,0,0,0,2|2,0,0]=4 510 B18R3.2123 C1=C(CCNC1)c2ccc3c(c2)CCCO3 AIFCHEM-6413598394 [0,0,0,0,0,2|2,0,0]=4 511 B18R3.2123 C1=C(CCNC1)c2ccc3c(c2)CCOC3 AIFCHEM-6430254861 [0,0,0,0,0,2|2,0,0]=4 512 B18R3.2123 C1=C(CCNC1)c2ccc3c(c2)COCC3 AIFCHEM-6434453887 [0,0,0,0,0,2|2,0,0]=4 513 B18R3.2123 C1=C(CCNC1)c2ccc3c(c2)NCCO3 AIFCHEM-6257906428 [0,0,0,0,0,2|2,0,0]=4 514 B18R3.2123 C1=C(CCNC1)c2ccc3c(c2)OCCN3 AIFCHEM-5807853604 [0,0,0,0,0,2|2,0,0]=4 515 B18R3.2123 C1=C(CCOC1)c2ccc3c(c2)NCCC3 AIFCHEM-94521064695 [0,0,0,0,0,2|2,0,0]=4 516 B18R3.2123 C1=C(CCOC1)c2ccc3c(c2)OCCO3 AIFCHEM-6363386030 [0,0,0,0,0,2|2,0,0]=4 517 B18R3.2123 C1=C(CCSC1)c2ccc3c(c2)CCCC3 AIFCHEM-6379763144 [0,0,0,0,0,2|2,0,0]=4 518 B18R3.2123 C1=C(CCSC1)c2ccc3c(c2)CCNC3 AIFCHEM-5716532709 [0,0,0,0,0,2|2,0,0]=4 519 B18R3.2123 C1=C(CCSC1)c2ccc3c(c2)CCOC3 AIFCHEM-6444720327 [0,0,0,0,0,2|2,0,0]=4 520 B18R3.2123 C1=C(CCSC1)c2ccc3c(c2)CNCC3 AIFCHEM-5948967849 [0,0,0,0,0,2|2,0,0]=4 521 B18R3.2123 C1=C(CNCC1)c2ccc3cnncc3c2 AIFCHEM-6325805855 [0,0,0,0,0,2|0,0,2]=4 522 B18R3.2123 C1=C(OCCC1)c2ccc3c(c2)CCNC3 AIFCHEM-94542015612 [0,0,0,0,0,2|2,0,0]=4 523 B18R3.2123 C1=C(OCCC1)c2ccc3c(c2)CCOC3 AIFCHEM-6461877621 [0,0,0,0,0,2|2,0,0]=4 524 B18R3.2123 C1=C(OCCC1)c2ccc3c(c2)NCCC3 AIFCHEM-94521064782 [0,0,0,0,0,2|2,0,0]=4 525 B18R3.10316 C1=C(CCCCC1)c2ccc3c(c2)CCN3 AIFCHEM-5897440393 [0,0,0,0,0,2|1,0,0]=3 526 B18R3.10316 C1=C(CCCCC1)c2ccc3c(c2)NCC3 AIFCHEM-5724895902 [0,0,0,0,0,2|1,0,0]=3