0 B22R3.35867 CC(O)c1ccc(cc1)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6364855920 [0,0,0,0,0,0|1,0,2]=3 1 B22R3.35867 C[S+]([O-])c1ccc(cc1)c2ccc(cc2)c3ncc[nH]3 AIFCHEM-6434209618 [0,0,0,0,0,0|3,0,1]=4 2 B22R3.35867 C[S+]([O-])c1ccc(cc1)c2ccc(cc2)c3nnco3 AIFCHEM-6345239139 [0,0,0,0,0,0|3,0,1]=4 3 B22R3.35867 NC(=O)c1ccc(cc1)c2ccc(cc2)c3cn[nH]c3 AIFCHEM-6420809531 [0,0,0,0,0,0|3,0,1]=4 4 B22R3.35867 NC(=O)c1ccc(cc1)c2ccc(cc2)c3ncco3 AIFCHEM-6289329400 [0,0,0,0,0,0|4,0,0]=4 5 B22R3.35867 NC(=O)c1ccc(cc1)c2ccc(cc2)c3ncon3 AIFCHEM-94566172853 [0,0,0,0,0,0|3,0,1]=4 6 B22R3.35867 NC(=O)c1ccc(cn1)c2ccc(cc2)c3nnn[nH]3 AIFCHEM-94536345895 [0,0,0,0,0,0|2,0,0]=2 7 B22R3.35867 NC(=O)c1ccc(cn1)c2ccc(cc2)n3cnnn3 AIFCHEM-94536346624 [0,0,0,0,0,0|4,0,0]=4 8 B22R3.35867 O=C(O)c1ccc(cc1)c2ccc(cc2)c3nncs3 AIFCHEM-6323724531 [0,0,0,0,0,0|3,0,0]=3 9 B22R3.35867 O=C(O)c1ccc(cc1)c2ccc(cc2)n3cnnn3 AIFCHEM-6350818304 [0,0,0,0,0,0|3,0,0]=3 10 B21R3.61 CCc1ccc(cc1)c2ccc(cc2)c3nnco3 AIFCHEM-6288598580 [1,0,0,0,0,0|2,0,1]=4 11 B21R3.61 CCc1ccc(cc1)c2ccc(cc2)c3nncs3 AIFCHEM-6296125166 [1,0,0,0,0,0|2,0,1]=4 12 B21R3.61 CSc1ccc(cc1)c2ccc(cc2)c3ccn[nH]3 AIFCHEM-94592430467 [1,0,0,0,0,0|3,0,0]=4 13 B21R3.61 CSc1ccc(cc1)c2ccc(cc2)c3ncns3 AIFCHEM-6377893084 [1,0,0,0,0,0|3,0,0]=4 14 B21R3.61 CSc1ccc(cc1)c2ccc(cc2)c3nnco3 AIFCHEM-6356641994 [1,0,0,0,0,0|3,0,0]=4 15 B21R3.61 NCc1ccc(cn1)c2ccc(cc2)c3nnn[nH]3 AIFCHEM-94531696404 [1,0,0,0,0,0|2,0,1]=4 16 B21R3.61 O=Cc1ccc(cc1)c2ccc(cc2)C3=NCCO3 AIFCHEM-6457056016 [1,0,0,0,0,0|3,0,0]=4 17 B21R3.61 O=Cc1ccc(cc1)c2ccc(cc2)c3cnoc3 AIFCHEM-6349335858 [1,0,0,0,0,0|3,0,0]=4 18 B21R3.61 O=Cc1ccc(cc1)c2ccc(cc2)c3cscn3 AIFCHEM-6369905859 [1,0,0,0,0,0|3,0,0]=4 19 B21R3.61 O=Cc1ccc(cc1)c2ccc(cc2)c3ncc[nH]3 AIFCHEM-6471903057 [1,0,0,0,0,0|2,0,0]=3 20 B21R3.61 O=Cc1ccc(cc1)c2ccc(cc2)c3ncco3 AIFCHEM-6313482733 [1,0,0,0,0,0|3,0,0]=4 21 B21R3.61 O=Cc1ccc(cc1)c2ccc(cc2)c3nnn[nH]3 AIFCHEM-94549612820 [1,0,0,0,0,0|0,0,0]=1 22 B23R3.14120 Cc1cc(ccc1C(=O)O)c2ccc(cc2)c3nnco3 AIFCHEM-6410882504 [0,1,0,0,0,0|3,0,0]=4 23 B23R3.14120 NC(=O)c1ccc(cc1F)c2ccc(cc2)c3ncc[nH]3 AIFCHEM-6460439924 [0,1,0,0,0,0|3,0,0]=4 24 B23R3.17866 CN(C)c1ccc(cc1)c2ccc(nc2)c3nnnn3C AIFCHEM-94520060491 [0,1,0,0,0,0|3,0,0]=4 25 B23R3.17866 Cn1cncc1c2ccc(cc2)c3ccc(cc3)C(=O)N AIFCHEM-94585319679 [0,1,0,0,0,0|3,0,0]=4 26 B23R3.17866 Cn1cncc1c2ccc(cc2)c3ccc(cc3)C(=O)O AIFCHEM-6287602190 [0,1,0,0,0,0|3,0,0]=4 27 B23R3.17866 Cn1nnnc1c2ccc(cn2)c3ccc(nc3)C(=O)N AIFCHEM-94536344764 [0,1,0,0,0,0|3,0,0]=4 28 B23R3.70408 CNC(=O)c1ccc(cc1)c2ccc(cc2)c3ncc[nH]3 AIFCHEM-6432158063 [0,1,0,0,0,0|2,0,0]=3 29 B23R3.70408 CNC(=O)c1ccc(cc1)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6307247895 [0,1,0,0,0,0|1,0,0]=2 30 B23R3.70408 CNC(=O)c1ccc(cc1)c2ccc(cc2)c3ncon3 AIFCHEM-94566170364 [0,1,0,0,0,0|2,0,1]=4 31 B23R3.104802 NC(=O)c1ccc(cc1)c2ccc(c(c2)F)c3ncc[nH]3 AIFCHEM-94577646340 [0,1,0,0,0,0|3,0,0]=4 32 B23R3.104802 O=C(O)c1ccc(cc1)c2ccc(c(c2)O)c3ncc[nH]3 AIFCHEM-6341662724 [0,1,0,0,0,0|3,0,0]=4 33 B23R3.820985 NC(=O)c1ccc(c(c1)F)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6290394387 [0,1,0,0,0,0|2,0,0]=3 34 B23R3.1962449 Cc1nnc(s1)c2ccc(cc2)c3ccc(cc3)C(=O)O AIFCHEM-6305689463 [0,1,0,0,0,0|3,0,0]=4 35 B23R3.1962449 O=C(O)c1ccc(cc1)c2ccc(cc2)c3noc(=O)[nH]3 AIFCHEM-94524780125 [0,1,0,0,0,0|3,0,0]=4 36 B23R3.1992975 CS(=N)(=O)c1ccc(cc1)c2ccc(cc2)c3ncc[nH]3 AIFCHEM-6460372450 [0,1,0,0,0,0|3,0,0]=4 37 B21R3.602 CN(C)c1ccc(cc1)c2ccc(s2)c3nnn[nH]3 AIFCHEM-94520058140 [0,0,0,0,1,0|3,0,0]=4 38 B23R3.49904 O=C(O)c1ccc(cc1)c2ccc(cc2)c3cnccn3 AIFCHEM-6326874928 [0,0,0,0,0,1|3,0,0]=4 39 B23R3.49904 O=C(O)c1ccc(cc1)c2ccc(cc2)c3cnnnc3 AIFCHEM-6376877477 [0,0,0,0,0,1|2,0,0]=3 40 B23R3.73637 CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3cn[nH]c3 AIFCHEM-6408728097 [0,0,0,0,0,1|2,0,1]=4 41 B23R3.73637 CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3cncs3 AIFCHEM-72470505924 [0,0,0,0,0,1|3,0,0]=4 42 B23R3.73637 CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3cnoc3 AIFCHEM-96537252755 [0,0,0,0,0,1|3,0,0]=4 43 B23R3.73637 CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3cnsc3 AIFCHEM-72471612310 [0,0,0,0,0,1|3,0,0]=4 44 B23R3.73637 CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3ncco3 AIFCHEM-6306708544 [0,0,0,0,0,1|3,0,0]=4 45 B23R3.73637 CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3nccs3 AIFCHEM-72471598910 [0,0,0,0,0,1|3,0,0]=4 46 B23R3.73637 CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3nncs3 AIFCHEM-72470442412 [0,0,0,0,0,1|2,0,0]=3 47 B23R3.73637 CC(=O)Nc1ccc(cn1)c2ccc(cc2)n3cnnn3 AIFCHEM-94578417292 [0,0,0,0,0,1|3,0,0]=4 48 B23R3.73637 CC(=O)Nc1ccc(cn1)c2ccc(nc2)c3nnn[nH]3 AIFCHEM-94578415431 [0,0,0,0,0,1|2,0,0]=3 49 B23R3.73637 CC(C)Oc1ccc(cc1)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6307586406 [0,0,0,0,0,1|2,0,1]=4 50 B20R3.9 Cc1ccc(cc1)c2ccc(cc2)c3ncc[nH]3 AIFCHEM-6412857709 [2,0,0,0,0,0|2,0,0]=4 51 B20R3.9 Cc1ccc(cc1)c2ccc(cc2)c3nn[nH]n3 AIFCHEM-94528941015 [2,0,0,0,0,0|0,0,2]=4 52 B20R3.9 Nc1ccc(cc1)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-94535584057 [2,0,0,0,0,0|2,0,0]=4 53 B22R3.174 COc1ccc(c(c1)C)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6313932734 [1,1,0,0,0,0|2,0,0]=4 54 B22R3.174 COc1ccc(c(c1)F)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6290285423 [1,1,0,0,0,0|2,0,0]=4 55 B22R3.174 Cc1cc(ccc1c2ccc(cc2)n3cnnn3)C=O AIFCHEM-6327037814 [1,1,0,0,0,0|2,0,0]=4 56 B22R3.174 O=Cc1ccc(c(c1)F)c2ccc(cc2)n3cnnn3 AIFCHEM-6311836900 [1,1,0,0,0,0|2,0,0]=4 57 B22R3.268 CCSc1ccc(cc1)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6331746622 [1,1,0,0,0,0|1,0,1]=4 58 B22R3.268 O=CCc1ccc(cc1)c2ccc(cc2)c3nnco3 AIFCHEM-6345151680 [1,1,0,0,0,0|2,0,0]=4 59 B22R3.3958 CCc1ccc(cc1)c2ccc(cc2)c3nncn3C AIFCHEM-6417621651 [1,1,0,0,0,0|1,0,1]=4 60 B22R3.3958 CSc1ccc(cc1)c2ccc(cc2)c3nncn3C AIFCHEM-6404899515 [1,1,0,0,0,0|2,0,0]=4 61 B22R3.3958 CSc1ccc(cc1)c2ccc(nc2)c3nnnn3C AIFCHEM-6315876880 [1,1,0,0,0,0|2,0,0]=4 62 B22R3.3958 Cn1nccc1c2ccc(cc2)c3ccc(cc3)C=O AIFCHEM-6317050071 [1,1,0,0,0,0|2,0,0]=4 63 B22R3.3958 Cn1nnnc1c2ccc(cn2)c3ccc(cc3)C=O AIFCHEM-94549611689 [1,1,0,0,0,0|1,0,0]=3 64 B22R3.3959 COc1ccc(cc1)c2ccc(cc2)c3nc(n[nH]3)N AIFCHEM-6054208674 [1,1,0,0,0,0|2,0,0]=4 65 B22R3.3959 Cn1ncc(n1)c2ccc(cc2)c3ccc(cc3)C=O AIFCHEM-6330553028 [1,1,0,0,0,0|1,0,1]=4 66 B22R3.5788 COc1ccc(cc1C)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6290767058 [1,1,0,0,0,0|2,0,0]=4 67 B22R3.5788 O=Cc1ccc(cc1F)c2ccc(cc2)c3ccn[nH]3 AIFCHEM-6381215048 [1,1,0,0,0,0|2,0,0]=4 68 B22R3.5788 O=Cc1ccc(cc1F)c2ccc(cc2)c3ncc[nH]3 AIFCHEM-6460503862 [1,1,0,0,0,0|2,0,0]=4 69 B22R3.5788 OCc1ccc(cc1O)c2ccc(cc2)c3nnn[nH]3 AIFCHEM-94538504630 [1,1,0,0,0,0|0,0,2]=4 70 B24R3.1330 Nc1ncc(nn1)c2ccc(cc2)c3ccc(cc3)C(=O)O AIFCHEM-5807419142 [0,1,0,0,0,1|2,0,0]=4 71 B24R3.17912 CC(=O)Nc1ccc(cc1C)c2ccc(cc2)c3ccn[nH]3 AIFCHEM-72470255434 [0,1,0,0,0,1|2,0,0]=4 72 B24R3.17912 CC(=O)Nc1ccc(cc1C)c2ccc(cc2)c3ncc[nH]3 AIFCHEM-79797957860 [0,1,0,0,0,1|2,0,0]=4 73 B24R3.17912 CC(=O)Nc1ccc(cc1C)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-58856053205 [0,1,0,0,0,1|1,0,0]=3 74 B24R3.17912 CC(=O)Nc1ccc(cc1C)c2ccc(cc2)n3cnnn3 AIFCHEM-58851664876 [0,1,0,0,0,1|2,0,0]=4 75 B24R3.17912 CC(=O)Nc1ccc(cc1F)c2ccc(cc2)c3ncc[nH]3 AIFCHEM-84806234135 [0,1,0,0,0,1|2,0,0]=4 76 B24R3.17912 CC(=O)Nc1ccc(cc1F)c2ccc(cc2)n3cnnn3 AIFCHEM-58854790199 [0,1,0,0,0,1|2,0,0]=4 77 B24R3.17912 CC(=O)Nc1ccc(cc1O)c2ccc(cc2)c3nnco3 AIFCHEM-58855994558 [0,1,0,0,0,1|2,0,0]=4 78 B24R3.22903 CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3ccnn3C AIFCHEM-72470651386 [0,1,0,0,0,1|2,0,0]=4 79 B24R3.22903 CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3cncn3C AIFCHEM-94585319962 [0,1,0,0,0,1|2,0,0]=4 80 B24R3.22903 CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3nccn3C AIFCHEM-72470494450 [0,1,0,0,0,1|2,0,0]=4 81 B24R3.22903 CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3ncnn3C AIFCHEM-72470260801 [0,1,0,0,0,1|1,0,0]=3 82 B24R3.22903 CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3nncn3C AIFCHEM-72470487296 [0,1,0,0,0,1|1,0,0]=3 83 B24R3.127497 CNC(=O)Cc1ccc(cc1)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6365046532 [0,1,0,0,0,1|1,0,0]=3 84 B24R3.127497 CNC(=O)Nc1ccc(cc1)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6364743309 [0,1,0,0,0,1|1,0,0]=3 85 B24R3.127497 CNC(=O)Nc1ccc(cc1)c2ccc(cc2)c3nnco3 AIFCHEM-6289074382 [0,1,0,0,0,1|2,0,0]=4 86 B24R3.127497 O=C(CO)Nc1ccc(cc1)c2ccc(cc2)c3ncc[nH]3 AIFCHEM-93538962609 [0,1,0,0,0,1|2,0,0]=4 87 B24R3.127497 O=C(CO)Nc1ccc(cc1)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-41547325902 [0,1,0,0,0,1|1,0,0]=3 88 B24R3.127497 O=C(CO)Nc1ccc(cc1)c2ccc(cc2)c3nnco3 AIFCHEM-96591217632 [0,1,0,0,0,1|2,0,0]=4 89 B24R3.127497 O=C(CO)Nc1ccc(cc1)c2ccc(cc2)c3nncs3 AIFCHEM-76897614074 [0,1,0,0,0,1|2,0,0]=4 90 B24R3.263520 CC(=O)Nc1ccc(c(c1)C)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-58855087083 [0,1,0,0,0,1|1,0,0]=3 91 B24R3.263520 CC(=O)Nc1ccc(c(c1)C)c2ccc(cc2)c3nn[nH]n3 AIFCHEM-94534873415 [0,1,0,0,0,1|0,0,2]=4 92 B24R3.263520 CC(=O)Nc1ccc(c(c1)C)c2ccc(cc2)n3cnnn3 AIFCHEM-58851877982 [0,1,0,0,0,1|2,0,0]=4 93 B24R3.263520 CC(=O)Nc1ccc(c(c1)F)c2ccc(cc2)c3ncc[nH]3 AIFCHEM-79798451360 [0,1,0,0,0,1|2,0,0]=4 94 B24R3.263520 CC(=O)Nc1ccc(c(c1)F)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-58855022390 [0,1,0,0,0,1|1,0,0]=3 95 B24R3.263520 CC(=O)Nc1ccc(c(c1)F)c2ccc(cc2)n3cnnn3 AIFCHEM-58851969783 [0,1,0,0,0,1|2,0,0]=4 96 B24R3.1999789 CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3cnn(n3)C AIFCHEM-99672298041 [0,1,0,0,0,1|1,0,1]=4 97 B24R3.1999789 CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3nc(ns3)C AIFCHEM-72470482073 [0,1,0,0,0,1|2,0,0]=4 98 B24R3.1999789 CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3nnc(s3)C AIFCHEM-72470586721 [0,1,0,0,0,1|2,0,0]=4 99 B24R3.1999789 CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3nnn(n3)C AIFCHEM-99350544819 [0,1,0,0,0,1|0,0,2]=4 100 B24R3.2421410 CS(=O)(=O)Nc1ccc(cc1)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6331200334 [0,1,0,0,0,1|2,0,0]=4 101 B24R3.7141 COc1cc(ccc1C(=O)N)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6290789537 [0,2,0,0,0,0|2,0,0]=4 102 B24R3.17925 CS(=O)(=O)c1ccc(cc1F)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6364867278 [0,2,0,0,0,0|2,0,0]=4 103 B24R3.97003 CNC(=O)c1ccc(cc1F)c2ccc(cc2)c3ncc[nH]3 AIFCHEM-6434406952 [0,2,0,0,0,0|2,0,0]=4 104 B24R3.2674969 O=C(O)c1ccc(c(c1F)F)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6314268982 [0,2,0,0,0,0|2,0,0]=4 105 B24R3.3140707 O=C(O)c1c(cc(cc1F)c2ccc(cc2)c3ncn[nH]3)F AIFCHEM-6331581978 [0,2,0,0,0,0|2,0,0]=4 106 B24R3.1505 COC(=O)c1ccc(c(c1)O)c2ccc(cc2)c3nnco3 AIFCHEM-6292585832 [0,2,0,0,0,0|2,0,0]=4 107 B24R3.49457 CNS(=O)(=O)c1ccc(cc1)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6331831627 [0,2,0,0,0,0|2,0,0]=4 108 B24R3.79074 CCNC(=O)c1ccc(cc1)c2ccc(cc2)c3ccn[nH]3 AIFCHEM-6355643954 [0,2,0,0,0,0|2,0,0]=4 109 B24R3.79074 CCNC(=O)c1ccc(cc1)c2ccc(cc2)c3ncc[nH]3 AIFCHEM-6428653382 [0,2,0,0,0,0|2,0,0]=4 110 B24R3.79074 CCNC(=O)c1ccc(cc1)c2ccc(cc2)c3nnco3 AIFCHEM-6288972991 [0,2,0,0,0,0|2,0,0]=4 111 B24R3.96047 CNC(=O)c1ccc(cc1)c2ccc(c(c2)F)c3nn[nH]n3 AIFCHEM-94553255684 [0,2,0,0,0,0|0,0,2]=4 112 B24R3.1130747 COC(=O)c1ccc(cc1)c2ccc(cc2)c3cnn(n3)C AIFCHEM-6315532343 [0,2,0,0,0,0|1,0,1]=4 113 B24R4.3228 O=C1Cc2ccc(cc2N1)c3ccc(cc3)c4ncn[nH]4 AIFCHEM-6364767040 [0,0,0,1,0,1|2,0,0]=4 114 B20R3.4979 O=Cc1cc(cs1)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6331223890 [1,0,0,0,1,0|2,0,0]=4 115 B22R3.316 COc1ccc(cc1)c2ccc(cc2)c3cnnnc3 AIFCHEM-6345680907 [1,0,0,0,0,1|2,0,0]=4 116 B22R3.316 O=Cc1ccc(cc1)c2ccc(cc2)c3cnccn3 AIFCHEM-6339459658 [1,0,0,0,0,1|2,0,0]=4 117 B24R3.101914 CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3cccnn3 AIFCHEM-72470617500 [0,0,0,0,0,2|2,0,0]=4 118 B24R3.101914 CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3ccncn3 AIFCHEM-72470582307 [0,0,0,0,0,2|2,0,0]=4 119 B24R3.101914 CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3cnccn3 AIFCHEM-92161568066 [0,0,0,0,0,2|2,0,0]=4 120 B24R3.101914 CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3cncnc3 AIFCHEM-6335020137 [0,0,0,0,0,2|2,0,0]=4 121 B24R3.101914 CC(=O)Nc1ccc(cc1)c2ccc(cc2)c3cnnnc3 AIFCHEM-72470442401 [0,0,0,0,0,2|1,0,0]=3 122 B24R3.644 CC(=O)NCc1ccc(cc1)c2ccc(cc2)c3ccn[nH]3 AIFCHEM-6349123224 [0,0,0,0,0,2|2,0,0]=4 123 B24R3.644 CC(=O)NCc1ccc(cc1)c2ccc(cc2)c3ncc[nH]3 AIFCHEM-6412852524 [0,0,0,0,0,2|2,0,0]=4 124 B24R3.644 CC(=O)NCc1ccc(cc1)c2ccc(cc2)c3ncn[nH]3 AIFCHEM-6290551851 [0,0,0,0,0,2|1,0,0]=3