0 B21R3.120 CCc1ccccc1c2ccc(cc2)c3ccn[nH]3 AIFCHEM-6335040600 [0,0,0,0,0,0|3,0,1]=4 1 B21R3.120 CCc1ccccc1c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6364764115 [0,0,0,0,0,0|2,0,1]=3 2 B21R3.120 CCc1ccccc1c2ccc(cc2)c3nnco3 AIFCHEM-6388891692 [0,0,0,0,0,0|3,0,1]=4 3 B21R3.120 COc1ccccc1c2ccc(cc2)c3ncc[nH]3 AIFCHEM-6428508498 [0,0,0,0,0,0|4,0,0]=4 4 B21R3.120 COc1cnccc1c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6291313189 [0,0,0,0,0,0|4,0,0]=4 5 B21R3.120 COc1ncccc1c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6314018842 [0,0,0,0,0,0|4,0,0]=4 6 B21R3.120 O=Cc1ccccc1c2ccc(cc2)c3cnco3 AIFCHEM-6322137705 [0,0,0,0,0,0|3,0,0]=3 7 B21R3.120 O=Cc1ccccc1c2ccc(cc2)c3nnco3 AIFCHEM-6402010311 [0,0,0,0,0,0|2,0,0]=2 8 B21R3.120 OCc1ccccc1c2ccc(cc2)c3ncc[nH]3 AIFCHEM-6460392039 [0,0,0,0,0,0|2,0,2]=4 9 B21R3.120 OCc1ccccc1c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6290860368 [0,0,0,0,0,0|1,0,2]=3 10 B21R3.120 OCc1ccccc1c2ccc(cc2)n3cnnn3 AIFCHEM-6313271104 [0,0,0,0,0,0|2,0,2]=4 11 B20R3.166 Cc1ccccc1c2ccc(cc2)c3cn[nH]n3 AIFCHEM-94553324813 [1,0,0,0,0,0|1,0,2]=4 12 B20R3.166 Cc1ccncc1c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6307008943 [1,0,0,0,0,0|2,0,1]=4 13 B20R3.166 Cc1ncccc1c2ccc(nc2)c3nnn[nH]3 AIFCHEM-94535624425 [1,0,0,0,0,0|2,0,1]=4 14 B20R3.166 Fc1ccccc1c2ccc(cc2)c3ccn[nH]3 AIFCHEM-6306661292 [1,0,0,0,0,0|3,0,0]=4 15 B20R3.166 Fc1ccccc1c2ccc(cc2)c3ncc[nH]3 AIFCHEM-6442597571 [1,0,0,0,0,0|3,0,0]=4 16 B20R3.166 Fc1ccccc1c2ccc(cc2)n3cnnn3 AIFCHEM-6313240440 [1,0,0,0,0,0|3,0,0]=4 17 B20R3.166 Nc1ccccc1c2ccc(cc2)c3c[nH]nn3 AIFCHEM-6479634552 [1,0,0,0,0,0|2,0,1]=4 18 B20R3.166 Nc1ccccc1c2ccc(cc2)c3nnco3 AIFCHEM-5981029593 [1,0,0,0,0,0|3,0,0]=4 19 B20R3.166 Nc1ccccc1c2ccc(cc2)n3cnnn3 AIFCHEM-94596647751 [1,0,0,0,0,0|3,0,0]=4 20 B20R3.166 Nc1ncccc1c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6313932731 [1,0,0,0,0,0|3,0,0]=4 21 B20R3.166 O=c1[nH]cccc1c2ccc(cc2)c3c[nH]nn3 AIFCHEM-6474201568 [1,0,0,0,0,0|2,0,1]=4 22 B20R3.166 O=c1ccccn1c2ccc(cc2)c3ncns3 AIFCHEM-6341800262 [1,0,0,0,0,0|3,0,0]=4 23 B20R3.166 Oc1ccccc1c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6364764248 [1,0,0,0,0,0|1,0,1]=3 24 B20R3.166 Oc1ccccc1c2ccc(cc2)n3cnnn3 AIFCHEM-6333958032 [1,0,0,0,0,0|2,0,1]=4 25 B22R3.783 O=C(O)c1ccccc1c2ccc(cc2)c3ncon3 AIFCHEM-94566172359 [0,1,0,0,0,0|2,0,1]=4 26 B22R3.865 CCOc1ccccc1c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6307391717 [0,1,0,0,0,0|2,0,1]=4 27 B22R3.865 O=CNc1ccccc1c2ccc(cc2)c3nnco3 AIFCHEM-94518720874 [0,1,0,0,0,0|2,0,0]=3 28 B22R3.3860 O=Cc1ccc(cc1c2ccc(cc2)c3cn[nH]c3)O AIFCHEM-6424106382 [0,1,0,0,0,0|2,0,1]=4 29 B22R3.3860 O=Cc1ccc(cc1c2ccc(cc2)c3cnco3)O AIFCHEM-6308961602 [0,1,0,0,0,0|3,0,0]=4 30 B22R3.3860 O=Cc1ccc(cc1c2ccc(cc2)c3ncc[nH]3)O AIFCHEM-6460566913 [0,1,0,0,0,0|2,0,0]=3 31 B22R3.3860 O=Cc1ccc(cc1c2ccc(cc2)n3cnnn3)O AIFCHEM-6378718635 [0,1,0,0,0,0|2,0,0]=3 32 B22R3.3860 OCc1ccc(cc1c2ccc(cc2)c3ncn[nH]3)F AIFCHEM-6314208290 [0,1,0,0,0,0|1,0,2]=4 33 B22R3.5854 Cc1nnc(o1)c2ccc(cc2)c3ccncc3C=O AIFCHEM-6419712198 [0,1,0,0,0,0|3,0,0]=4 34 B22R3.5854 Cc1nnc(o1)c2ccc(cc2)c3ncccc3C=O AIFCHEM-6298651716 [0,1,0,0,0,0|3,0,0]=4 35 B22R3.5854 Cn1cc(cn1)c2ccc(cc2)c3ccccc3C=O AIFCHEM-6387754820 [0,1,0,0,0,0|2,0,1]=4 36 B22R3.5854 Cn1ccc(n1)c2ccc(cc2)c3ccccc3C=O AIFCHEM-6402033329 [0,1,0,0,0,0|2,0,1]=4 37 B22R3.5854 Nc1cc(n[nH]1)c2ccc(cc2)c3ccccc3C=O AIFCHEM-6156617224 [0,1,0,0,0,0|2,0,1]=4 38 B22R3.5854 O=Cc1ccccc1c2ccc(cc2)c3cc(on3)O AIFCHEM-94567766865 [0,1,0,0,0,0|3,0,0]=4 39 B22R3.59496 COc1cccc(c1c2ccc(cc2)c3ncn[nH]3)C AIFCHEM-6331211385 [0,1,0,0,0,0|3,0,0]=4 40 B22R3.59496 COc1nccc(c1c2ccc(cc2)c3nnn[nH]3)F AIFCHEM-94550177286 [0,1,0,0,0,0|3,0,0]=4 41 B22R3.59496 O=Cc1cccc(c1c2ccc(cc2)c3nnco3)F AIFCHEM-6479131327 [0,1,0,0,0,0|2,0,0]=3 42 B22R3.69682 O=Cc1ccccc1c2ccc(c(c2)O)c3ncc[nH]3 AIFCHEM-6358773259 [0,1,0,0,0,0|2,0,0]=3 43 B22R3.143227 O=Cc1c(cccc1c2ccc(cc2)c3ccn[nH]3)F AIFCHEM-6334961704 [0,1,0,0,0,0|2,0,0]=3 44 B22R3.143227 O=Cc1c(cccc1c2ccc(cc2)c3cnco3)O AIFCHEM-6308851423 [0,1,0,0,0,0|3,0,0]=4 45 B22R3.143227 O=Cc1c(cccc1c2ccc(cc2)c3ncco3)F AIFCHEM-6289667953 [0,1,0,0,0,0|3,0,0]=4 46 B22R3.1325097 Cc1ccc(c(c1)C=O)c2ccc(cc2)C3=NCCO3 AIFCHEM-6454350459 [0,1,0,0,0,0|3,0,0]=4 47 B22R3.1325097 Cc1ccc(c(c1)C=O)c2ccc(cc2)c3cn[nH]c3 AIFCHEM-6408733375 [0,1,0,0,0,0|2,0,1]=4 48 B22R3.1325097 O=Cc1cc(ccc1c2ccc(cc2)c3ncc[nH]3)O AIFCHEM-6432501677 [0,1,0,0,0,0|2,0,0]=3 49 B22R3.1325097 O=Cc1cc(ccc1c2ccc(cc2)c3ncco3)F AIFCHEM-6289345836 [0,1,0,0,0,0|3,0,0]=4 50 B20R2.13629 CCNC(=O)c1ccc(cc1)c2ccccc2C=O AIFCHEM-6482892022 [0,0,1,0,0,0|3,0,0]=4 51 B22R4.280342 O=C1c2ccccc2-c3c1cc(cc3)c4ccns4 AIFCHEM-6422598823 [0,0,0,1,0,0|3,0,0]=4 52 B22R4.280342 O=C1c2ccccc2-c3c1cc(cc3)c4cn[nH]n4 AIFCHEM-6365794382 [0,0,0,1,0,0|1,0,1]=3 53 B22R4.280342 O=C1c2ccccc2-c3c1cc(cc3)c4cscn4 AIFCHEM-6341710393 [0,0,0,1,0,0|3,0,0]=4 54 B20R3.86 O=Cc1ccsc1c2ccc(cc2)c3nnco3 AIFCHEM-6344181344 [0,0,0,0,1,0|3,0,0]=4 55 B20R3.86 O=Cc1sccc1c2ccc(cc2)c3ccn[nH]3 AIFCHEM-6349078966 [0,0,0,0,1,0|3,0,0]=4 56 B20R3.86 O=Cc1sccc1c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6331537077 [0,0,0,0,1,0|2,0,0]=3 57 B20R3.86 O=Cc1sccc1c2ccc(cc2)c3nnco3 AIFCHEM-6329695989 [0,0,0,0,1,0|3,0,0]=4 58 B20R3.2594 OCc1ccccc1c2ccc(s2)c3nnn[nH]3 AIFCHEM-94588161448 [0,0,0,0,1,0|1,0,2]=4 59 B22R3.166 O=Cc1ccccc1c2ccc(cc2)c3cccnc3 AIFCHEM-6301212036 [0,0,0,0,0,1|3,0,0]=4 60 B22R3.166 O=Cc1ccccc1c2ccc(cc2)c3ccncc3 AIFCHEM-6318444543 [0,0,0,0,0,1|3,0,0]=4 61 B22R3.166 O=Cc1ccccc1c2ccc(cc2)c3cncnc3 AIFCHEM-6335143804 [0,0,0,0,0,1|2,0,0]=3 62 B19R2.3356 CNC(=O)c1ccc(cc1)c2ccccc2C=O AIFCHEM-6311651578 [1,0,1,0,0,0|2,0,0]=4 63 B19R3.2481 c1ccc(cc1)c2ccc(cc2)c3ccn[nH]3 AIFCHEM-94592430485 [2,0,0,0,0,0|2,0,0]=4 64 B19R3.2481 c1ccc(cc1)c2ccc(cc2)c3cn[nH]n3 AIFCHEM-94553323500 [2,0,0,0,0,0|1,0,1]=4 65 B19R3.2481 c1ccc(cc1)c2ccc(cc2)c3ncc[nH]3 AIFCHEM-6393349595 [2,0,0,0,0,0|2,0,0]=4 66 B19R3.2481 c1ccc(cc1)c2ccc(cc2)c3nn[nH]n3 AIFCHEM-94590916313 [2,0,0,0,0,0|0,0,2]=4 67 B19R3.2481 c1ccc(cc1)c2ccc(cc2)c3nnco3 AIFCHEM-6323232907 [2,0,0,0,0,0|2,0,0]=4 68 B19R3.2481 c1cncc(c1)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-94574256797 [2,0,0,0,0,0|2,0,0]=4 69 B21R3.241 Cc1ccc(c(c1)N)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6307106286 [1,1,0,0,0,0|2,0,0]=4 70 B21R3.8238 Cn1cnnc1c2ccc(cc2)n3ccccc3=O AIFCHEM-6444713621 [1,1,0,0,0,0|2,0,0]=4 71 B21R3.12077 Cc1c(cccc1c2ccc(cc2)c3ncn[nH]3)N AIFCHEM-6291232015 [1,1,0,0,0,0|1,0,1]=4 72 B21R3.12077 Cc1c(cccc1c2ccc(nc2)c3nnn[nH]3)N AIFCHEM-94545576881 [1,1,0,0,0,0|1,0,1]=4 73 B21R3.12077 Nc1c(cccc1c2ccc(cc2)c3nnn[nH]3)F AIFCHEM-94536184755 [1,1,0,0,0,0|1,0,0]=3 74 B21R3.12077 Nc1c(cccc1c2ccc(nc2)c3nnn[nH]3)F AIFCHEM-94536183623 [1,1,0,0,0,0|2,0,0]=4 75 B21R3.12077 Nc1cccc(c1N)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6314217887 [1,1,0,0,0,0|2,0,0]=4 76 B21R3.12222 Cc1cc(ccc1c2nnn[nH]2)c3cccnc3C AIFCHEM-94535615331 [1,1,0,0,0,0|1,0,1]=4 77 B21R3.22033 Nc1ccc(c(c1)c2ccc(cc2)c3ncn[nH]3)F AIFCHEM-6307414275 [1,1,0,0,0,0|2,0,0]=4 78 B21R3.615 O=C(O)c1sccc1c2ccc(nc2)c3nnn[nH]3 AIFCHEM-94589160799 [0,1,0,0,1,0|2,0,0]=4 79 B21R3.3537 O=Cc1cc(ccc1c2ccc(s2)c3nnn[nH]3)O AIFCHEM-94588158256 [0,1,0,0,1,0|1,0,0]=3 80 B21R3.23675 O=C(O)c1ccccc1c2ccc(s2)c3nnn[nH]3 AIFCHEM-94588158641 [0,1,0,0,1,0|1,0,0]=3 81 B21R3.736445 O=Cc1cccc(c1c2ccc(s2)c3nnn[nH]3)F AIFCHEM-94588159887 [0,1,0,0,1,0|1,0,0]=3 82 B23R3.87332 O=Cc1cc(ccc1c2ccc(cc2)c3cncnc3)F AIFCHEM-6349381105 [0,1,0,0,0,1|2,0,0]=4 83 B23R3.1632 CNC(=O)c1ccccc1c2ccc(cc2)c3ccn[nH]3 AIFCHEM-6380831061 [0,2,0,0,0,0|2,0,0]=4 84 B23R3.17882 Cn1cncc1c2ccc(cc2)c3ccccc3C(=O)O AIFCHEM-94585319425 [0,2,0,0,0,0|2,0,0]=4 85 B23R3.43960 O=C(O)c1cccc(c1c2ccc(cc2)c3nnco3)O AIFCHEM-94528818041 [0,2,0,0,0,0|2,0,0]=4 86 B23R3.111294 NC(=O)c1ccccc1c2ccc(cc2)c3noc(=O)[nH]3 AIFCHEM-94524781357 [0,2,0,0,0,0|2,0,0]=4 87 B23R3.1755 CC(=O)Nc1ccccc1c2ccc(cc2)c3nn[nH]n3 AIFCHEM-6325869718 [0,2,0,0,0,0|0,0,2]=4 88 B23R3.53095 Cc1nnc(o1)c2ccc(cc2)c3ccccc3NC=O AIFCHEM-94518722217 [0,2,0,0,0,0|2,0,0]=4 89 B23R3.4780 Cn1cncc1c2ccc(cc2)c3cc(ccc3C=O)F AIFCHEM-94585319741 [0,2,0,0,0,0|2,0,0]=4 90 B23R3.4780 Cn1nnnc1c2ccc(cn2)c3cc(ccc3C=O)F AIFCHEM-6371311849 [0,2,0,0,0,0|1,0,0]=3 91 B23R3.4783 O=Cc1ccc(cc1c2ccc(cc2)c3noc(=O)[nH]3)F AIFCHEM-94524779710 [0,2,0,0,0,0|2,0,0]=4 92 B23R3.1597910 Cc1cc(c(cc1F)C=O)c2ccc(cc2)c3nnco3 AIFCHEM-6342112501 [0,2,0,0,0,0|2,0,0]=4 93 B23R3.2190346 Cc1ccc(c(c1)c2ccc(c(c2)F)c3nn[nH]n3)C=O AIFCHEM-94553254381 [0,2,0,0,0,0|0,0,2]=4 94 B23R3.2190346 Cc1ccc(c(c1)c2ccc(c(c2)O)c3ncc[nH]3)C=O AIFCHEM-6324103040 [0,2,0,0,0,0|2,0,0]=4 95 B23R3.86117 Cn1cncc1c2ccc(cc2)c3c(cccc3C=O)F AIFCHEM-94585318805 [0,2,0,0,0,0|2,0,0]=4 96 B23R3.86121 Cc1nnc(o1)c2ccc(cc2)c3c(cccc3C=O)C AIFCHEM-6312851740 [0,2,0,0,0,0|2,0,0]=4 97 B23R3.1787427 Cc1ccc(c(c1)C=O)c2ccc(cc2)c3nnc(o3)C AIFCHEM-6360272710 [0,2,0,0,0,0|2,0,0]=4 98 B23R3.1787427 Cc1ccc(c(c1)C=O)c2ccc(cc2)c3noc(=O)[nH]3 AIFCHEM-94524781437 [0,2,0,0,0,0|2,0,0]=4 99 B23R3.1787427 Cc1nnc(o1)c2ccc(cc2)c3ccc(cc3C=O)F AIFCHEM-6461555114 [0,2,0,0,0,0|2,0,0]=4 100 B23R3.730 Cc1cc(cc(c1c2ccc(cc2)c3nn[nH]n3)C=O)F AIFCHEM-94601764584 [0,2,0,0,0,0|0,0,2]=4 101 B23R3.730 Cc1cc(cc(c1c2ccc(cc2)c3nnco3)C=O)F AIFCHEM-94601765156 [0,2,0,0,0,0|2,0,0]=4 102 B23R3.730 O=Cc1cc(cc(c1c2ccc(cc2)c3nnco3)F)F AIFCHEM-6403939041 [0,2,0,0,0,0|2,0,0]=4 103 B23R3.27617545 O=Cc1cccc(c1c2ccc(c(c2)F)c3nn[nH]n3)F AIFCHEM-94553252646 [0,2,0,0,0,0|0,0,2]=4 104 B23R3.2001300 O=Cc1cc(ccc1c2ccc(c(c2)F)c3ncc[nH]3)F AIFCHEM-94577649309 [0,2,0,0,0,0|2,0,0]=4 105 B23R3.2001300 O=Cc1cc(ccc1c2ccc(c(c2)O)c3ncc[nH]3)O AIFCHEM-6318927343 [0,2,0,0,0,0|2,0,0]=4 106 B23R3.5998860 O=Cc1c(cccc1c2ccc(c(c2)O)c3ncc[nH]3)F AIFCHEM-6318962426 [0,2,0,0,0,0|2,0,0]=4 107 B23R3.5998860 O=Cc1c(cccc1c2ccc(c(c2)O)c3ncc[nH]3)O AIFCHEM-6358747905 [0,2,0,0,0,0|2,0,0]=4 108 B23R3.86111 COc1cccc(c1C=O)c2ccc(cc2)c3ncc[nH]3 AIFCHEM-6460346247 [0,2,0,0,0,0|2,0,0]=4 109 B23R3.86111 COc1cccc(c1C=O)c2ccc(cc2)n3cnnn3 AIFCHEM-6313214104 [0,2,0,0,0,0|2,0,0]=4 110 B23R3.87538 COc1ccc(c(c1)C=O)c2ccc(cc2)n3cnnn3 AIFCHEM-6312106766 [0,2,0,0,0,0|2,0,0]=4 111 B21R3.3113 C(=Cc1ccc(cc1)c2ncn[nH]2)c3ccccc3 AIFCHEM-6307399290 [0,0,1,1,0,0|2,0,0]=4 112 B21R3.2371380 Nc1ncnc2c1ccc(c2)c3ccccc3C=O AIFCHEM-5744657914 [0,0,1,1,0,0|1,0,0]=3 113 B21R3.13145346 O=Cc1ccccc1c2ccc3c([nH]nc3c2)C=O AIFCHEM-6477313454 [0,0,1,1,0,0|2,0,0]=4 114 B21R4.61522 c1ccc2c(c1)[nH]c3c2ccc(c3)c4ncn[nH]4 AIFCHEM-94574255958 [1,0,0,1,0,0|2,0,0]=4 115 B23R4.1869977 c1cc(c2ccsc2c1)c3ccc(cc3)c4ncn[nH]4 AIFCHEM-6290560793 [0,1,0,1,0,0|1,1,0]=4 116 B23R4.8720471 Cn1cc(nn1)c2ccc-3c(c2)C(=O)c4c3cccc4 AIFCHEM-6359465965 [0,1,0,1,0,0|1,0,1]=4 117 B23R4.8720471 Cn1ncc(n1)c2ccc-3c(c2)C(=O)c4c3cccc4 AIFCHEM-6354766686 [0,1,0,1,0,0|1,0,1]=4 118 B23R4.8720471 Nc1n[nH]c(n1)c2ccc-3c(c2)C(=O)c4c3cccc4 AIFCHEM-6021114696 [0,1,0,1,0,0|1,0,0]=3 119 B21R3.2917 NCc1ccccc1c2cccc(c2)c3nnn[nH]3 AIFCHEM-94593972715 [0,0,0,0,1,1|1,0,1]=4 120 B21R3.2917 O=Cc1ccccc1c2cncc(c2)c3nnco3 AIFCHEM-6386070950 [0,0,0,0,1,1|2,0,0]=4