0 B22R3.6090708 C=C(c1ccc(cc1)OC)c2nc(nc3c2CCC3)C 271570a_100010144143_100011240833 [0,0,0,0,0,0|1,0,1]=2 1 B22R3.6090708 COc1ccc(cc1)N(C)c2cc(nc3c2[nH]nc3)C 27a_100000220023_100000087595 [0,0,0,0,0,0|3,0,1]=4 2 B22R3.6090708 COc1ccc(cc1)N(C)c2nc(nc3c2CCC3)C 27a_100000220023_100011240833 [0,0,0,0,0,0|0,0,0]=0 3 B22R3.6090708 COc1ccc(cc1)N(C)c2nc(nc3c2[nH]cn3)N 27a_100000220023_100000764887 [0,0,0,0,0,0|3,0,1]=4 4 B22R3.6090708 COc1ccc(cc1)N(C)c2nc(nc3c2c[nH]n3)N 27a_100000220023_100000068426 [0,0,0,0,0,0|3,0,1]=4 5 B22R3.6090708 COc1ccc(cc1)N(C)c2nc(nc3c2cc[nH]3)C 27a_100000220023_100000092993 [0,0,0,0,0,0|1,0,2]=3 6 B22R3.6090708 COc1ccc(cc1)N(C)c2nc(nc3c2ccs3)C 27a_100000220023_100000183124 [0,0,0,0,0,0|1,0,2]=3 7 B22R3.6090708 COc1ccc(cc1)N(C)c2nc(nc3c2cn[nH]3)C 27a_100000220023_100000745003 [0,0,0,0,0,0|2,0,1]=3 8 B22R3.6090708 COc1ccc(cc1)N(C)c2nc(nc3c2nc[nH]3)F 27a_100000220023_100000061921 [0,0,0,0,0,0|3,0,1]=4 9 B22R3.6090708 COc1ccc(cc1)N(C)c2nc(nc3c2scc3)C 27a_100000220023_100012000418 [0,0,0,0,0,0|1,0,2]=3 10 B21R3.183647 C=C(c1ccc(cc1)OC)c2ccnc3c2CCC3 271570a_100010144143_100000102697 [1,0,0,0,0,0|2,0,1]=4 11 B21R3.183647 C=C(c1ccc(cc1)OC)c2ncnc3c2CCC3 271570a_100010144143_100000750143 [1,0,0,0,0,0|1,0,1]=3 12 B21R3.183647 C=C(c1ccc(cc1)OC)c2ncnc3c2CCN3 271570a_100010144143_200000104052 [1,0,0,0,0,0|2,0,1]=4 13 B21R3.183647 COc1ccc(cc1)N(C)c2ccnc3c2CCC3 27a_100000220023_100000102697 [1,0,0,0,0,0|1,0,0]=2 14 B21R3.183647 COc1ccc(cc1)N(C)c2ncnc3c2CCC3 27a_100000220023_100000750143 [1,0,0,0,0,0|0,0,0]=1 15 B21R3.183647 COc1ccc(cc1)N(C)c2ncnc3c2CCN3 27a_100000220023_200000104052 [1,0,0,0,0,0|1,0,0]=2 16 B21R3.183647 COc1ccc(cc1)N(C)c2ncnc3c2[nH]cc3 27a_100000220023_100000084117 [1,0,0,0,0,0|1,0,2]=4 17 B21R3.183647 COc1ccc(cc1)N(C)c2ncnc3c2[nH]cn3 27a_100000220023_100011215200 [1,0,0,0,0,0|2,0,1]=4 18 B21R3.183647 COc1ccc(cc1)N(C)c2ncnc3c2cco3 27a_100000220023_100000094286 [1,0,0,0,0,0|1,0,2]=4 19 B21R3.183647 COc1ccc(cc1)N(C)c2ncnc3c2ccs3 27a_100000220023_100000183654 [1,0,0,0,0,0|1,0,2]=4 20 B21R3.183647 COc1ccc(cc1)N(C)c2ncnc3c2cn[nH]3 27a_100000220023_100000735611 [1,0,0,0,0,0|2,0,1]=4 21 B21R3.183647 COc1ccc(cc1)N(C)c2ncnc3c2ncs3 27a_100000220023_100009860286 [1,0,0,0,0,0|2,0,1]=4 22 B21R3.183647 COc1ccc(cc1)N(C)c2ncnc3c2scc3 27a_100000220023_100000234879 [1,0,0,0,0,0|1,0,2]=4 23 B21R3.187818 C#Cc1ccc(cc1)Nc2nc(nc3c2CCC3)C 27a_100011215031_100011240833 [1,0,0,0,0,0|1,0,1]=3 24 B21R3.187818 C=Cc1ccc(cc1)Nc2nc(nc3c2CCC3)C 27a_100011218248_100011240833 [1,0,0,0,0,0|1,0,1]=3 25 B21R3.187818 C=Cc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100000748128_100011240833 [1,0,0,0,0,0|2,0,1]=4 26 B21R3.187818 C=Cc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000748128 [1,0,0,0,0,0|2,0,1]=4 27 B21R3.187818 CCc1ccc(cc1)Nc2nc(nc3c2CCC3)C 27a_100000211069_100011240833 [1,0,0,0,0,0|1,0,0]=2 28 B21R3.187818 CCc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011215824_100011240833 [1,0,0,0,0,0|2,0,0]=3 29 B21R3.187818 CCc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100011215824 [1,0,0,0,0,0|2,0,0]=3 30 B21R3.187818 CCc1ccc(cn1)Sc2nc(nc3c2CCC3)C 62a_100009820025_100011240833 [1,0,0,0,0,0|3,0,0]=4 31 B21R3.187818 CCc1ccc(cn1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100009820025 [1,0,0,0,0,0|3,0,0]=4 32 B21R3.187818 CCc1ccc(nc1)Sc2nc(nc3c2CCC3)C 62a_100009843584_100011240833 [1,0,0,0,0,0|3,0,0]=4 33 B21R3.187818 CCc1ccc(nc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100009843584 [1,0,0,0,0,0|3,0,0]=4 34 B21R3.187818 CNc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100000743151_100011240833 [1,0,0,0,0,0|2,0,0]=3 35 B21R3.187818 CNc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000743151 [1,0,0,0,0,0|2,0,0]=3 36 B21R3.187818 CNc1ccc(cn1)Sc2nc(nc3c2CCC3)C 62a_100000741341_100011240833 [1,0,0,0,0,0|3,0,0]=4 37 B21R3.187818 CNc1ccc(cn1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000741341 [1,0,0,0,0,0|3,0,0]=4 38 B21R3.187818 CNc1ccc(nc1)Sc2nc(nc3c2CCC3)C 62a_100000764248_100011240833 [1,0,0,0,0,0|3,0,0]=4 39 B21R3.187818 CNc1ccc(nc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000764248 [1,0,0,0,0,0|3,0,0]=4 40 B21R3.187818 COc1ccc(cc1)Nc2nc(nc3c2CCC3)C 27a_100000184247_100011240833 [1,0,0,0,0,0|0,0,0]=1 41 B21R3.187818 COc1ccc(cc1)Nc2nc(nc3c2cc[nH]3)C 27a_100000184247_100000092993 [1,0,0,0,0,0|1,0,2]=4 42 B21R3.187818 COc1ccc(cc1)Nc2nc(nc3c2ccs3)C 27a_100000184247_100000183124 [1,0,0,0,0,0|1,0,2]=4 43 B21R3.187818 COc1ccc(cc1)Nc2nc(nc3c2cn[nH]3)C 27a_100000184247_100000745003 [1,0,0,0,0,0|2,0,1]=4 44 B21R3.187818 COc1ccc(cc1)Nc2nc(nc3c2scc3)C 27a_100000184247_100012000418 [1,0,0,0,0,0|1,0,2]=4 45 B21R3.187818 COc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000171711 [1,0,0,0,0,0|1,0,0]=2 46 B21R3.187818 COc1ccc(cn1)Sc2nc(nc3c2CCC3)C 62a_100000047065_100011240833 [1,0,0,0,0,0|2,0,0]=3 47 B21R3.187818 COc1ccc(cn1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000047065 [1,0,0,0,0,0|2,0,0]=3 48 B21R3.187818 COc1ccc(nc1)Sc2nc(nc3c2CCC3)C 62a_100000755202_100011240833 [1,0,0,0,0,0|2,0,0]=3 49 B21R3.187818 COc1ccc(nc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000744180 [1,0,0,0,0,0|2,0,0]=3 50 B21R3.187818 COc1ccc(nn1)Sc2nc(nc3c2CCC3)C 62a_100009819040_100011240833 [1,0,0,0,0,0|3,0,0]=4 51 B21R3.187818 COc1ccc(nn1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100009819040 [1,0,0,0,0,0|3,0,0]=4 52 B21R3.187818 COc1cnc(cn1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100011998698 [1,0,0,0,0,0|3,0,0]=4 53 B21R3.187818 COc1cnc(cn1)Sc2nc(nc3c2CCC3)C 62a_100011998698_100011240833 [1,0,0,0,0,0|3,0,0]=4 54 B21R3.187818 COc1cnc(nc1)Sc2nc(nc3c2CCC3)C 62a_100000069167_100011240833 [1,0,0,0,0,0|3,0,0]=4 55 B21R3.187818 COc1cnc(nc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000069167 [1,0,0,0,0,0|3,0,0]=4 56 B21R3.187818 COc1ncc(cn1)Sc2nc(nc3c2CCC3)C 62a_100000686852_100011240833 [1,0,0,0,0,0|3,0,0]=4 57 B21R3.187818 COc1ncc(cn1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000686852 [1,0,0,0,0,0|3,0,0]=4 58 B21R3.187818 CSc1ccc(cc1)Nc2nc(nc3c2CCC3)C 27a_100000212337_100011240833 [1,0,0,0,0,0|0,1,0]=2 59 B21R3.187818 CSc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100011263217 [1,0,0,0,0,0|1,1,0]=3 60 B21R3.187818 CSc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011263217_100011240833 [1,0,0,0,0,0|1,1,0]=3 61 B21R3.187818 CSc1ccc(cn1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100011408404 [1,0,0,0,0,0|2,1,0]=4 62 B21R3.187818 CSc1ccc(cn1)Sc2nc(nc3c2CCC3)C 62a_100011408404_100011240833 [1,0,0,0,0,0|2,1,0]=4 63 B21R3.187818 CSc1ccc(nc1)Sc2nc(nc3c2CCC3)C 62a_100009820866_100011240833 [1,0,0,0,0,0|2,1,0]=4 64 B21R3.187818 CSc1ccc(nc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100009820866 [1,0,0,0,0,0|2,1,0]=4 65 B21R3.187818 Cc1nc2c(c(n1)Nc3ccc(cc3)CO)CCC2 27a_100011215238_100011240833 [1,0,0,0,0,0|2,0,0]=3 66 B21R3.187818 Cc1nc2c(c(n1)Sc3ccc(cc3)C#N)CCC2 62a_100011240833_100000184291 [1,0,0,0,0,0|3,0,0]=4 67 B21R3.187818 Cc1nc2c(c(n1)Sc3ccc(cc3)C=O)CCC2 62a_100000188517_100011240833 [1,0,0,0,0,0|3,0,0]=4 68 B21R3.187818 Cc1nc2c(c(n1)Sc3ccc(cc3)C=O)CCC2 62a_100011240833_100000188517 [1,0,0,0,0,0|3,0,0]=4 69 B21R3.187818 Cc1nc2c(c(n1)Sc3ccc(cc3)CF)CCC2 62a_100010268989_100011240833 [1,0,0,0,0,0|3,0,0]=4 70 B21R3.187818 Cc1nc2c(c(n1)Sc3ccc(cc3)CF)CCC2 62a_100011240833_100010268989 [1,0,0,0,0,0|3,0,0]=4 71 B21R3.187818 Cc1nc2c(c(n1)Sc3ccc(cc3)CN)CCC2 62a_100011240833_100016989417 [1,0,0,0,0,0|3,0,0]=4 72 B21R3.187818 Cc1nc2c(c(n1)Sc3ccc(cc3)CN)CCC2 62a_100016989417_100011240833 [1,0,0,0,0,0|3,0,0]=4 73 B21R3.187818 Cc1nc2c(c(n1)Sc3ccc(cc3)CO)CCC2 62a_100000690907_100011240833 [1,0,0,0,0,0|3,0,0]=4 74 B21R3.187818 Cc1nc2c(c(n1)Sc3ccc(cc3)CO)CCC2 62a_100011240833_100000690907 [1,0,0,0,0,0|3,0,0]=4 75 B21R3.187818 Cc1nc2c(c(n1)Sc3ccc(cc3)NN)CCC2 62a_100011240833_100016988836 [1,0,0,0,0,0|3,0,0]=4 76 B21R3.187818 Cc1nc2c(c(n1)Sc3ccc(cc3)NN)CCC2 62a_100016988836_100011240833 [1,0,0,0,0,0|3,0,0]=4 77 B21R3.9421187 C=C(c1ccc(cc1)C)c2nc(nc3c2CCC3)C 271570a_100010895218_100011240833 [1,0,0,0,0,0|1,0,1]=3 78 B21R3.9421187 C=C(c1ccc(cc1)Cl)c2nc(nc3c2CCC3)C 271570a_100010171417_100011240833 [1,0,0,0,0,0|2,0,1]=4 79 B21R3.9421187 C=C(c1ccc(cc1)F)c2nc(nc3c2CCC3)C 271570a_100000068270_100011240833 [1,0,0,0,0,0|2,0,1]=4 80 B21R3.9421187 Cc1nc(c2cc[nH]c2n1)N(C)c3ccc(cc3)O 27a_100000182112_100000092993 [1,0,0,0,0,0|1,0,2]=4 81 B21R3.9421187 Cc1nc(c2ccsc2n1)N(C)c3ccc(cc3)O 27a_100000182112_100000183124 [1,0,0,0,0,0|1,0,2]=4 82 B21R3.9421187 Cc1nc(c2cn[nH]c2n1)N(C)c3ccc(cc3)O 27a_100000182112_100000745003 [1,0,0,0,0,0|2,0,1]=4 83 B21R3.9421187 Cc1nc(c2sccc2n1)N(C)c3ccc(cc3)O 27a_100000182112_100012000418 [1,0,0,0,0,0|1,0,2]=4 84 B21R3.9421187 Cc1nc2c(c(n1)N(C)c3ccc(cc3)Br)CCC2 27a_100000219623_100011240833 [1,0,0,0,0,0|1,0,0]=2 85 B21R3.9421187 Cc1nc2c(c(n1)N(C)c3ccc(cc3)Cl)CCC2 27a_100020629279_100011240833 [1,0,0,0,0,0|1,0,0]=2 86 B21R3.9421187 Cc1nc2c(c(n1)N(C)c3ccc(cc3)F)CCC2 27a_100000219829_100011240833 [1,0,0,0,0,0|1,0,0]=2 87 B21R3.9421187 Cc1nc2c(c(n1)N(C)c3ccc(cc3)I)CCC2 27a_100000743151_100011240833 [1,0,0,0,0,0|1,0,0]=2 88 B21R3.9421187 Cc1nc2c(c(n1)N(C)c3ccc(cc3)O)CCC2 27a_100000182112_100011240833 [1,0,0,0,0,0|0,0,0]=1 89 B23R3.697643 Cc1nc2c(c(n1)N(C)c3ccc(cc3)C(C)C)CCC2 27a_100000688768_100011240833 [0,1,0,0,0,0|1,0,0]=2 90 B23R3.697643 Cc1nc2c(c(n1)N(C)c3ccc(cc3)[N+](=O)[O-])CCC2 27a_100000156523_100011240833 [0,1,0,0,0,0|2,0,0]=3 91 B23R3.9052462 COc1ccc(cc1)N(C)c2nc(nc3c2cnn3C)C 27a_100000220023_100000743007 [0,1,0,0,0,0|2,0,1]=4 92 B23R3.9052464 CCc1nc(c2ccsc2n1)N(C)c3ccc(cc3)OC 27a_100000220023_200000693752 [0,1,0,0,0,0|1,0,2]=4 93 B23R3.9052464 COc1ccc(cc1)N(C)c2nc(nc3c2cc[nH]3)SC 27a_100000220023_100000090414 [0,1,0,0,0,0|1,0,2]=4 94 B23R3.9052464 COc1ccc(cc1)N(C)c2nc(nc3c2scc3)SC 27a_100000220023_100012339926 [0,1,0,0,0,0|1,0,2]=4 95 B23R3.39871496 COc1ccc(cc1I)N(C)c2nc(nc3c2CCC3)C 27a_114948341033_100011240833 [0,1,0,0,0,0|0,0,0]=1 96 B23R3.39871496 COc1ccc(cc1I)N(C)c2nc(nc3c2cc[nH]3)C 27a_114948341033_100000092993 [0,1,0,0,0,0|1,0,2]=4 97 B23R3.39871496 COc1ccc(cc1I)N(C)c2nc(nc3c2ccs3)C 27a_114948341033_100000183124 [0,1,0,0,0,0|1,0,2]=4 98 B23R3.39871496 COc1ccc(cc1I)N(C)c2nc(nc3c2cn[nH]3)C 27a_114948341033_100000745003 [0,1,0,0,0,0|2,0,1]=4 99 B23R3.39871496 COc1ccc(cc1I)N(C)c2nc(nc3c2scc3)C 27a_114948341033_100012000418 [0,1,0,0,0,0|1,0,2]=4 100 B23R3.72664757 CCOc1ccc(cc1)N(C)c2nc(nc3c2CCC3)C 27a_100025784348_100011240833 [0,1,0,0,0,0|0,0,0]=1 101 B23R3.72664757 CCOc1ccc(cc1)N(C)c2nc(nc3c2cc[nH]3)C 27a_100025784348_100000092993 [0,1,0,0,0,0|1,0,2]=4 102 B23R3.72664757 CCOc1ccc(cc1)N(C)c2nc(nc3c2ccs3)C 27a_100025784348_100000183124 [0,1,0,0,0,0|1,0,2]=4 103 B23R3.72664757 CCOc1ccc(cc1)N(C)c2nc(nc3c2cn[nH]3)C 27a_100025784348_100000745003 [0,1,0,0,0,0|2,0,1]=4 104 B23R3.72664757 CCOc1ccc(cc1)N(C)c2nc(nc3c2scc3)C 27a_100025784348_100012000418 [0,1,0,0,0,0|1,0,2]=4 105 B23R3.233850921 COc1ccc(c(c1)C)N(C)c2nc(nc3c2CCC3)C 27a_103496583619_100011240833 [0,1,0,0,0,0|0,0,0]=1 106 B23R3.233850921 COc1ccc(c(c1)C)N(C)c2nc(nc3c2cc[nH]3)C 27a_103496583619_100000092993 [0,1,0,0,0,0|1,0,2]=4 107 B23R3.233850921 COc1ccc(c(c1)C)N(C)c2nc(nc3c2ccs3)C 27a_103496583619_100000183124 [0,1,0,0,0,0|1,0,2]=4 108 B23R3.233850921 COc1ccc(c(c1)C)N(C)c2nc(nc3c2cn[nH]3)C 27a_103496583619_100000745003 [0,1,0,0,0,0|2,0,1]=4 109 B23R3.233850921 COc1ccc(c(c1)C)N(C)c2nc(nc3c2scc3)C 27a_103496583619_100012000418 [0,1,0,0,0,0|1,0,2]=4 110 B21R2.31422 CCOc1cc(nc(n1)N(C)c2ccc(cc2)OC)C 27a_100000220023_100011684413 [0,0,1,0,0,0|3,0,0]=4 111 B21R2.31422 CCOc1cc(nc(n1)N)N(C)c2ccc(cc2)OC 27a_100000220023_100011996124 [0,0,1,0,0,0|2,0,0]=3 112 B21R2.31422 CCSc1nc(cc(n1)N(C)c2ccc(cc2)OC)C 27a_100000220023_200000116819 [0,0,1,0,0,0|3,0,0]=4 113 B21R2.100177 C=C(c1ccc(cc1)OC)c2nc(ncc2CCC)C 271570a_100010144143_200000069602 [0,0,1,0,0,0|1,0,1]=3 114 B21R2.100177 CCCc1cnc(nc1N(C)c2ccc(cc2)OC)C 27a_100000220023_200000069602 [0,0,1,0,0,0|0,0,0]=1 115 B21R2.3439605 COc1ccc(cc1)N(C)c2nc(cc(c2C#N)C)C 27a_100000220023_100000188011 [0,0,1,0,0,0|2,0,1]=4 116 B21R2.3439605 COc1ccc(cc1)N(C)c2nc(nc(c2C#N)C)N 27a_100000220023_100009965792 [0,0,1,0,0,0|2,0,1]=4 117 B21R2.3439607 COc1ccc(cc1)N(C)c2nc(nc(c2F)OC)C 27a_100000220023_100010751213 [0,0,1,0,0,0|2,0,0]=3 118 B23R3.9027339 CCc1ccc(cc1)CN(C)c2nc(nc3c2CCC3)C 27a_100000683253_100011240833 [0,0,0,0,0,1|1,0,0]=2 119 B23R3.9027339 COc1ccc(cc1)CN(C)c2nc(nc3c2CCC3)C 27a_100000184145_100011240833 [0,0,0,0,0,1|0,0,0]=1 120 B23R3.9027339 COc1ccc(cc1)CN(C)c2nc(nc3c2cc[nH]3)C 27a_100000184145_100000092993 [0,0,0,0,0,1|1,0,2]=4 121 B23R3.9027339 COc1ccc(cc1)CN(C)c2nc(nc3c2ccs3)C 27a_100000184145_100000183124 [0,0,0,0,0,1|1,0,2]=4 122 B23R3.9027339 COc1ccc(cc1)CN(C)c2nc(nc3c2cn[nH]3)C 27a_100000184145_100000745003 [0,0,0,0,0,1|2,0,1]=4 123 B23R3.9027339 COc1ccc(cc1)CN(C)c2nc(nc3c2scc3)C 27a_100000184145_100012000418 [0,0,0,0,0,1|1,0,2]=4 124 B23R3.9027339 CSc1ccc(cc1)CN(C)c2nc(nc3c2CCC3)C 27a_102495365258_100011240833 [0,0,0,0,0,1|0,1,0]=2 125 B23R3.9027339 Cc1nc2c(c(n1)N(C)Cc3ccc(cc3)C#N)CCC2 27a_100000217971_100011240833 [0,0,0,0,0,1|2,0,0]=3 126 B23R3.9038404 C=Cc1ccc(cc1)C(C)Nc2nc(nc3c2CCC3)C 27a_200012023546_100011240833 [0,0,0,0,0,1|2,0,1]=4 127 B23R3.9038404 CCc1ccc(cc1)C(C)Nc2nc(nc3c2CCC3)C 27a_100015186439_100011240833 [0,0,0,0,0,1|2,0,0]=3 128 B23R3.9038404 COc1ccc(cc1)[C@@H](C)Nc2nc(nc3c2CCC3)C 27a_100011830352_100011240833 [0,0,0,0,0,1|1,0,0]=2 129 B23R3.9038404 CSc1ccc(cc1)C(C)Nc2nc(nc3c2CCC3)C 27a_100000738722_100011240833 [0,0,0,0,0,1|1,1,0]=3 130 B23R3.9038404 Cc1nc2c(c(n1)N[C@H](C)c3ccc(cc3)C#N)CCC2 27a_100016991473_100011240833 [0,0,0,0,0,1|3,0,0]=4 131 B23R3.9052471 C=C(c1ccc(cc1)OC)c2nc(nc3c2CCCC3)C 271570a_100010144143_100011467566 [0,0,0,0,0,1|1,0,1]=3 132 B23R3.9052471 COc1ccc(cc1)N(C)c2nc(nc3c2CCCC3)C 27a_100000220023_100011467566 [0,0,0,0,0,1|0,0,0]=1 133 B23R3.9052471 COc1ccc(cc1)N(C)c2nc(nc3c2cccc3)C 27a_100000220023_100000230251 [0,0,0,0,0,1|0,0,3]=4 134 B20R2.11061 CCOc1cc(nc(n1)N)Nc2ccc(cc2)OC 27a_100000184247_100011996124 [1,0,1,0,0,0|2,0,0]=4 135 B20R2.23958 CCOc1cc(nc(n1)N)N(C)c2ccc(cc2)O 27a_100000182112_100011996124 [1,0,1,0,0,0|2,0,0]=4 136 B20R2.182483 CCNc1cc(ncn1)N(C)c2ccc(cc2)OC 27a_100000220023_200000242512 [1,0,1,0,0,0|1,0,0]=3 137 B20R2.182483 CCOc1cc(ncn1)N(C)c2ccc(cc2)OC 27a_100000220023_100000765465 [1,0,1,0,0,0|1,0,0]=3 138 B20R2.182483 CCOc1ccnc(c1)N(C)c2ccc(cc2)OC 27a_100000220023_100009995529 [1,0,1,0,0,0|2,0,0]=4 139 B20R2.182483 COCc1cc(ncn1)N(C)c2ccc(cc2)OC 27a_100000220023_100000688101 [1,0,1,0,0,0|1,0,0]=3 140 B20R2.2810251 C=C(c1ccc(cc1)OC)c2cc(nc(n2)C)CC 271570a_100010144143_100000761995 [1,0,1,0,0,0|1,0,1]=4 141 B20R2.2810251 CCc1cc(nc(n1)C)N(C)c2ccc(cc2)OC 27a_100000220023_100000761995 [1,0,1,0,0,0|0,0,0]=2 142 B20R2.2810251 CCc1cc(nc(n1)N)N(C)c2ccc(cc2)OC 27a_100000220023_100000069509 [1,0,1,0,0,0|1,0,0]=3 143 B20R2.2810251 CCc1nc(cc(n1)N(C)c2ccc(cc2)OC)C 27a_100000220023_100000687827 [1,0,1,0,0,0|2,0,0]=4 144 B20R2.2810251 CNc1cc(nc(n1)C)N(C)c2ccc(cc2)OC 27a_100000220023_100000758931 [1,0,1,0,0,0|1,0,0]=3 145 B20R2.2810251 COc1ccc(cc1)N(C)c2cc(nc(c2)CN)C 27a_100000220023_100010178683 [1,0,1,0,0,0|2,0,0]=4 146 B20R2.2810251 COc1ccc(cc1)N(C)c2cc(nc(c2)CO)C 27a_100000220023_100010178681 [1,0,1,0,0,0|2,0,0]=4 147 B20R2.2810251 COc1ccc(cc1)N(C)c2cc(nc(n2)C)OC 27a_100000220023_100011686313 [1,0,1,0,0,0|1,0,0]=3 148 B20R2.2810251 COc1ccc(cc1)N(C)c2cc(nc(n2)C)SC 27a_100000220023_100011686690 [1,0,1,0,0,0|1,0,0]=3 149 B20R2.2810251 COc1ccc(cc1)N(C)c2cc(nc(n2)N)OC 27a_100000220023_100010270236 [1,0,1,0,0,0|2,0,0]=4 150 B20R2.5800 C=C(c1ccc(cc1)OC)c2nc(ncc2CC)C 271570a_100010144143_200000069817 [1,0,1,0,0,0|1,0,1]=4 151 B20R2.5800 CCc1cnc(cc1N(C)c2ccc(cc2)OC)C 27a_100000220023_100010291839 [1,0,1,0,0,0|1,0,0]=3 152 B20R2.5800 CCc1cnc(nc1N(C)c2ccc(cc2)OC)C 27a_100000220023_200000069817 [1,0,1,0,0,0|0,0,0]=2 153 B20R2.5800 COc1ccc(cc1)N(C)c2nc(ncc2C#N)C 27a_100000220023_200012187075 [1,0,1,0,0,0|1,0,1]=4 154 B20R2.69859 C=C(c1ccc(cc1)C)c2nc(ncc2CCC)C 271570a_100010895218_200000069602 [1,0,1,0,0,0|1,0,1]=4 155 B20R2.69859 CCCc1cnc(nc1N(C)c2ccc(cc2)Br)C 27a_100000219623_200000069602 [1,0,1,0,0,0|1,0,0]=3 156 B20R2.69859 CCCc1cnc(nc1N(C)c2ccc(cc2)Cl)C 27a_100020629279_200000069602 [1,0,1,0,0,0|1,0,0]=3 157 B20R2.69859 CCCc1cnc(nc1N(C)c2ccc(cc2)F)C 27a_100000219829_200000069602 [1,0,1,0,0,0|1,0,0]=3 158 B20R2.69859 CCCc1cnc(nc1N(C)c2ccc(cc2)I)C 27a_100000743151_200000069602 [1,0,1,0,0,0|1,0,0]=3 159 B20R2.69859 CCCc1cnc(nc1N(C)c2ccc(cc2)O)C 27a_100000182112_200000069602 [1,0,1,0,0,0|0,0,0]=2 160 B20R2.112206 C#Cc1ccc(cc1)Nc2nc(ncc2CCC)C 27a_100011215031_200000069602 [1,0,1,0,0,0|1,0,1]=4 161 B20R2.112206 C=Cc1ccc(cc1)Nc2nc(ncc2CCC)C 27a_100011218248_200000069602 [1,0,1,0,0,0|1,0,1]=4 162 B20R2.112206 CCCc1cnc(nc1Nc2ccc(cc2)CC)C 27a_100000211069_200000069602 [1,0,1,0,0,0|1,0,0]=3 163 B20R2.112206 CCCc1cnc(nc1Nc2ccc(cc2)CO)C 27a_100011215238_200000069602 [1,0,1,0,0,0|2,0,0]=4 164 B20R2.112206 CCCc1cnc(nc1Nc2ccc(cc2)OC)C 27a_100000184247_200000069602 [1,0,1,0,0,0|0,0,0]=2 165 B20R2.112206 CCCc1cnc(nc1Nc2ccc(cc2)SC)C 27a_100000212337_200000069602 [1,0,1,0,0,0|0,1,0]=3 166 B20R2.112206 CCCc1cnc(nc1Sc2ccc(cc2)CC)C 62a_100011215824_200000069602 [1,0,1,0,0,0|2,0,0]=4 167 B20R2.112206 CCCc1cnc(nc1Sc2ccc(cc2)CC)C 62a_200000069602_100011215824 [1,0,1,0,0,0|2,0,0]=4 168 B20R2.112206 CCCc1cnc(nc1Sc2ccc(cc2)NC)C 62a_100000743151_200000069602 [1,0,1,0,0,0|2,0,0]=4 169 B20R2.112206 CCCc1cnc(nc1Sc2ccc(cc2)NC)C 62a_200000069602_100000743151 [1,0,1,0,0,0|2,0,0]=4 170 B20R2.112206 CCCc1cnc(nc1Sc2ccc(cc2)OC)C 62a_200000069602_100000171711 [1,0,1,0,0,0|1,0,0]=3 171 B20R2.112206 CCCc1cnc(nc1Sc2ccc(cc2)SC)C 62a_100011263217_200000069602 [1,0,1,0,0,0|1,1,0]=4 172 B20R2.112206 CCCc1cnc(nc1Sc2ccc(cc2)SC)C 62a_200000069602_100011263217 [1,0,1,0,0,0|1,1,0]=4 173 B20R2.112206 CCCc1cnc(nc1Sc2ccc(cn2)OC)C 62a_100000755202_200000069602 [1,0,1,0,0,0|2,0,0]=4 174 B20R2.112206 CCCc1cnc(nc1Sc2ccc(cn2)OC)C 62a_200000069602_100000744180 [1,0,1,0,0,0|2,0,0]=4 175 B20R2.112206 CCCc1cnc(nc1Sc2ccc(nc2)OC)C 62a_100000047065_200000069602 [1,0,1,0,0,0|2,0,0]=4 176 B20R2.112206 CCCc1cnc(nc1Sc2ccc(nc2)OC)C 62a_200000069602_100000047065 [1,0,1,0,0,0|2,0,0]=4 177 B20R2.5825 COc1ccc(cc1)N(C)c2ncnc(c2OC)N 27a_100000220023_100011998528 [1,0,1,0,0,0|2,0,0]=4 178 B20R2.2810250 COc1ccc(cc1)N(C)c2nc(nc(c2C)C)N 27a_100000220023_100000076065 [1,0,1,0,0,0|1,0,0]=3 179 B20R2.2810250 COc1ccc(cc1)N(C)c2nc(nc(c2C)N)C 27a_100000220023_200000700166 [1,0,1,0,0,0|1,0,0]=3 180 B20R2.2810250 COc1ccc(cc1)N(C)c2nc(nc(c2F)N)C 27a_100000220023_100000117604 [1,0,1,0,0,0|2,0,0]=4 181 B20R2.5715 COc1ccc(cc1)Nc2nc(nc(c2F)OC)C 27a_100000184247_100010751213 [1,0,1,0,0,0|2,0,0]=4 182 B20R2.5827 CCc1ncnc(c1F)N(C)c2ccc(cc2)OC 27a_100000220023_100000685531 [1,0,1,0,0,0|1,0,0]=3 183 B20R2.5827 CNc1ncnc(c1C)N(C)c2ccc(cc2)OC 27a_100000220023_200011913118 [1,0,1,0,0,0|1,0,0]=3 184 B20R2.5827 COc1ccc(cc1)N(C)c2ncnc(c2C)OC 27a_100000220023_200011912725 [1,0,1,0,0,0|1,0,0]=3 185 B20R2.9974 COc1nc(nc(c1F)N(C)c2ccc(cc2)O)C 27a_100000182112_100010751213 [1,0,1,0,0,0|2,0,0]=4 186 B20R3.223 C#Cc1ccc(cc1)Nc2ncnc3c2CCC3 27a_100011215031_100000750143 [2,0,0,0,0,0|1,0,1]=4 187 B20R3.223 C=Cc1ccc(cc1)Nc2ncnc3c2CCC3 27a_100011218248_100000750143 [2,0,0,0,0,0|1,0,1]=4 188 B20R3.223 CCc1ccc(cc1)Nc2ccnc3c2CCC3 27a_100000211069_100000102697 [2,0,0,0,0,0|2,0,0]=4 189 B20R3.223 CCc1ccc(cc1)Nc2ncnc3c2CCC3 27a_100000211069_100000750143 [2,0,0,0,0,0|1,0,0]=3 190 B20R3.223 CCc1ccc(cc1)Nc2ncnc3c2CCN3 27a_100000211069_200000104052 [2,0,0,0,0,0|2,0,0]=4 191 B20R3.223 CCc1ccc(cc1)Sc2ncnc3c2CCC3 62a_100000750143_100011215824 [2,0,0,0,0,0|2,0,0]=4 192 B20R3.223 CCc1ccc(cc1)Sc2ncnc3c2CCC3 62a_100011215824_100000750143 [2,0,0,0,0,0|2,0,0]=4 193 B20R3.223 CNc1ccc(cc1)Sc2ncnc3c2CCC3 62a_100000743151_100000750143 [2,0,0,0,0,0|2,0,0]=4 194 B20R3.223 CNc1ccc(cc1)Sc2ncnc3c2CCC3 62a_100000750143_100000743151 [2,0,0,0,0,0|2,0,0]=4 195 B20R3.223 COc1ccc(cc1)Nc2ccnc3c2CCC3 27a_100000184247_100000102697 [2,0,0,0,0,0|1,0,0]=3 196 B20R3.223 COc1ccc(cc1)Nc2ncnc3c2CCC3 27a_100000184247_100000750143 [2,0,0,0,0,0|0,0,0]=2 197 B20R3.223 COc1ccc(cc1)Nc2ncnc3c2CCN3 27a_100000184247_200000104052 [2,0,0,0,0,0|1,0,0]=3 198 B20R3.223 COc1ccc(cc1)Sc2ccnc3c2CCC3 62a_100000102697_100000171711 [2,0,0,0,0,0|2,0,0]=4 199 B20R3.223 COc1ccc(cc1)Sc2ncnc3c2CCC3 62a_100000750143_100000171711 [2,0,0,0,0,0|1,0,0]=3 200 B20R3.223 COc1ccc(cc1)Sc2ncnc3c2CCN3 62a_200000104052_100000171711 [2,0,0,0,0,0|2,0,0]=4 201 B20R3.223 COc1ccc(cn1)Sc2ncnc3c2CCC3 62a_100000047065_100000750143 [2,0,0,0,0,0|2,0,0]=4 202 B20R3.223 COc1ccc(cn1)Sc2ncnc3c2CCC3 62a_100000750143_100000047065 [2,0,0,0,0,0|2,0,0]=4 203 B20R3.223 COc1ccc(nc1)Sc2ncnc3c2CCC3 62a_100000750143_100000744180 [2,0,0,0,0,0|2,0,0]=4 204 B20R3.223 COc1ccc(nc1)Sc2ncnc3c2CCC3 62a_100000755202_100000750143 [2,0,0,0,0,0|2,0,0]=4 205 B20R3.223 CSc1ccc(cc1)Nc2ccnc3c2CCC3 27a_100000212337_100000102697 [2,0,0,0,0,0|1,1,0]=4 206 B20R3.223 CSc1ccc(cc1)Nc2ncnc3c2CCC3 27a_100000212337_100000750143 [2,0,0,0,0,0|0,1,0]=3 207 B20R3.223 CSc1ccc(cc1)Nc2ncnc3c2CCN3 27a_100000212337_200000104052 [2,0,0,0,0,0|1,1,0]=4 208 B20R3.223 CSc1ccc(cc1)Sc2ncnc3c2CCC3 62a_100000750143_100011263217 [2,0,0,0,0,0|1,1,0]=4 209 B20R3.223 CSc1ccc(cc1)Sc2ncnc3c2CCC3 62a_100011263217_100000750143 [2,0,0,0,0,0|1,1,0]=4 210 B20R3.223 OCc1ccc(cc1)Nc2ncnc3c2CCC3 27a_100011215238_100000750143 [2,0,0,0,0,0|2,0,0]=4 211 B20R3.404278 C=C(c1ccc(cc1)C)c2ncnc3c2CCC3 271570a_100010895218_100000750143 [2,0,0,0,0,0|1,0,1]=4 212 B20R3.404278 CN(c1ccc(cc1)Br)c2ccnc3c2CCC3 27a_100000219623_100000102697 [2,0,0,0,0,0|2,0,0]=4 213 B20R3.404278 CN(c1ccc(cc1)Br)c2ncnc3c2CCC3 27a_100000219623_100000750143 [2,0,0,0,0,0|1,0,0]=3 214 B20R3.404278 CN(c1ccc(cc1)Br)c2ncnc3c2CCN3 27a_100000219623_200000104052 [2,0,0,0,0,0|2,0,0]=4 215 B20R3.404278 CN(c1ccc(cc1)Cl)c2ccnc3c2CCC3 27a_100020629279_100000102697 [2,0,0,0,0,0|2,0,0]=4 216 B20R3.404278 CN(c1ccc(cc1)Cl)c2ncnc3c2CCC3 27a_100020629279_100000750143 [2,0,0,0,0,0|1,0,0]=3 217 B20R3.404278 CN(c1ccc(cc1)Cl)c2ncnc3c2CCN3 27a_100020629279_200000104052 [2,0,0,0,0,0|2,0,0]=4 218 B20R3.404278 CN(c1ccc(cc1)F)c2ccnc3c2CCC3 27a_100000219829_100000102697 [2,0,0,0,0,0|2,0,0]=4 219 B20R3.404278 CN(c1ccc(cc1)F)c2ncnc3c2CCC3 27a_100000219829_100000750143 [2,0,0,0,0,0|1,0,0]=3 220 B20R3.404278 CN(c1ccc(cc1)F)c2ncnc3c2CCN3 27a_100000219829_200000104052 [2,0,0,0,0,0|2,0,0]=4 221 B20R3.404278 CN(c1ccc(cc1)I)c2ccnc3c2CCC3 27a_100000743151_100000102697 [2,0,0,0,0,0|2,0,0]=4 222 B20R3.404278 CN(c1ccc(cc1)I)c2ncnc3c2CCC3 27a_100000743151_100000750143 [2,0,0,0,0,0|1,0,0]=3 223 B20R3.404278 CN(c1ccc(cc1)I)c2ncnc3c2CCN3 27a_100000743151_200000104052 [2,0,0,0,0,0|2,0,0]=4 224 B20R3.404278 CN(c1ccc(cc1)O)c2ccnc3c2CCC3 27a_100000182112_100000102697 [2,0,0,0,0,0|1,0,0]=3 225 B20R3.404278 CN(c1ccc(cc1)O)c2ncnc3c2CCC3 27a_100000182112_100000750143 [2,0,0,0,0,0|0,0,0]=2 226 B20R3.404278 CN(c1ccc(cc1)O)c2ncnc3c2CCN3 27a_100000182112_200000104052 [2,0,0,0,0,0|1,0,0]=3 227 B20R3.5840705 Cc1ccc(cc1)Nc2nc(nc3c2CCC3)C 27a_100000124888_100011240833 [2,0,0,0,0,0|0,0,0]=2 228 B20R3.5840705 Cc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100000186775_100011240833 [2,0,0,0,0,0|1,0,0]=3 229 B20R3.5840705 Cc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000186775 [2,0,0,0,0,0|1,0,0]=3 230 B20R3.5840705 Cc1ccc(cn1)Sc2nc(nc3c2CCC3)C 62a_100000751577_100011240833 [2,0,0,0,0,0|2,0,0]=4 231 B20R3.5840705 Cc1ccc(cn1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000751577 [2,0,0,0,0,0|2,0,0]=4 232 B20R3.5840705 Cc1ccc(nc1)Sc2nc(nc3c2CCC3)C 62a_100011192072_100011240833 [2,0,0,0,0,0|2,0,0]=4 233 B20R3.5840705 Cc1ccc(nc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000754016 [2,0,0,0,0,0|2,0,0]=4 234 B20R3.5840705 Cc1nc2c(c(n1)Nc3ccc(cc3)Br)CCC2 27a_100000210018_100011240833 [2,0,0,0,0,0|1,0,0]=3 235 B20R3.5840705 Cc1nc2c(c(n1)Nc3ccc(cc3)Cl)CCC2 27a_100000210052_100011240833 [2,0,0,0,0,0|1,0,0]=3 236 B20R3.5840705 Cc1nc2c(c(n1)Nc3ccc(cc3)F)CCC2 27a_100000185862_100011240833 [2,0,0,0,0,0|1,0,0]=3 237 B20R3.5840705 Cc1nc2c(c(n1)Nc3ccc(cc3)I)CCC2 27a_100000185761_100011240833 [2,0,0,0,0,0|1,0,0]=3 238 B20R3.5840705 Cc1nc2c(c(n1)Nc3ccc(cc3)O)CCC2 27a_100000185829_100011240833 [2,0,0,0,0,0|0,0,0]=2 239 B20R3.5840705 Cc1nc2c(c(n1)Sc3ccc(cc3)Br)CCC2 62a_100000752885_100011240833 [2,0,0,0,0,0|2,0,0]=4 240 B20R3.5840705 Cc1nc2c(c(n1)Sc3ccc(cc3)Br)CCC2 62a_100011240833_100000752885 [2,0,0,0,0,0|2,0,0]=4 241 B20R3.5840705 Cc1nc2c(c(n1)Sc3ccc(cc3)Cl)CCC2 62a_100000755918_100011240833 [2,0,0,0,0,0|2,0,0]=4 242 B20R3.5840705 Cc1nc2c(c(n1)Sc3ccc(cc3)Cl)CCC2 62a_100011240833_100000755918 [2,0,0,0,0,0|2,0,0]=4 243 B20R3.5840705 Cc1nc2c(c(n1)Sc3ccc(cc3)F)CCC2 62a_100000211213_100011240833 [2,0,0,0,0,0|2,0,0]=4 244 B20R3.5840705 Cc1nc2c(c(n1)Sc3ccc(cc3)F)CCC2 62a_100011240833_100000211213 [2,0,0,0,0,0|2,0,0]=4 245 B20R3.5840705 Cc1nc2c(c(n1)Sc3ccc(cc3)N)CCC2 62a_100000185761_100011240833 [2,0,0,0,0,0|2,0,0]=4 246 B20R3.5840705 Cc1nc2c(c(n1)Sc3ccc(cc3)N)CCC2 62a_100011240833_100000185761 [2,0,0,0,0,0|2,0,0]=4 247 B20R3.5840705 Cc1nc2c(c(n1)Sc3ccc(cc3)O)CCC2 62a_100011240833_100000185759 [2,0,0,0,0,0|1,0,0]=3 248 B20R3.5840705 Cc1nc2c(c(n1)Sc3ccc(cn3)O)CCC2 62a_100000685995_100011240833 [2,0,0,0,0,0|2,0,0]=4 249 B20R3.5840705 Cc1nc2c(c(n1)Sc3ccc(cn3)O)CCC2 62a_100011240833_100000744096 [2,0,0,0,0,0|2,0,0]=4 250 B20R3.12663 C=C(c1ccccc1)c2nc(nc3c2CCC3)C 271570a_100000068269_100011240833 [2,0,0,0,0,0|1,0,1]=4 251 B22R2.40791 CCOc1cc(nc(n1)SC)N(C)c2ccc(cc2)OC 27a_100000220023_200012339714 [0,1,1,0,0,0|1,0,0]=3 252 B22R2.40791 COCc1cc(nc(n1)SC)N(C)c2ccc(cc2)OC 27a_100000220023_100015823502 [0,1,1,0,0,0|1,0,0]=3 253 B22R2.2715234 CCOc1cc(nc(n1)N)N(C)c2ccc(cc2C)OC 27a_103496583619_100011996124 [0,1,1,0,0,0|2,0,0]=4 254 B22R2.2715379 CCOc1cc(nc(n1)N)N(C)c2ccc(c(c2)I)OC 27a_114948341033_100011996124 [0,1,1,0,0,0|2,0,0]=4 255 B22R2.4358950 COc1ccc(cc1)N(C)c2cc(nc(n2)N)NC(C)C 27a_100000220023_100011228678 [0,1,1,0,0,0|2,0,0]=4 256 B22R2.19791049 CCOc1ccc(cc1)N(C)c2cc(nc(n2)N)OCC 27a_100025784348_100011996124 [0,1,1,0,0,0|2,0,0]=4 257 B22R2.134736 CCCc1cnc(nc1N(C)c2ccc(cc2)C(C)C)C 27a_100000688768_200000069602 [0,1,1,0,0,0|1,0,0]=3 258 B22R2.134736 CCCc1cnc(nc1N(C)c2ccc(cc2)[N+](=O)[O-])C 27a_100000156523_200000069602 [0,1,1,0,0,0|2,0,0]=4 259 B22R2.135152 CCCc1cnc(nc1N(C)c2ccc(cc2)OCC)C 27a_100025784348_200000069602 [0,1,1,0,0,0|0,0,0]=2 260 B22R2.3945065 CCCc1cnc(nc1N(C)c2ccc(cc2C)OC)C 27a_103496583619_200000069602 [0,1,1,0,0,0|0,0,0]=2 261 B22R2.3945328 CCCc1cnc(nc1N(C)c2ccc(c(c2)I)OC)C 27a_114948341033_200000069602 [0,1,1,0,0,0|0,0,0]=2 262 B22R2.4359643 COc1ccc(cc1)N(C)c2nc(nc(c2C#N)C)SC 27a_100000220023_200011097384 [0,1,1,0,0,0|1,0,1]=4 263 B22R2.4371138 COc1ccc(cc1)N(C)c2nc(cc(c2C)C(C)C)C 27a_100000220023_202495333933 [0,1,1,0,0,0|1,0,0]=3 264 B22R2.11870761 COc1ccc(cc1I)N(C)c2nc(nc(c2F)OC)C 27a_114948341033_100010751213 [0,1,1,0,0,0|2,0,0]=4 265 B22R2.15336664 COc1ccc(c(c1)C)N(C)c2nc(nc(c2F)OC)C 27a_103496583619_100010751213 [0,1,1,0,0,0|2,0,0]=4 266 B22R2.19822510 CCOc1ccc(cc1)N(C)c2nc(nc(c2F)OC)C 27a_100025784348_100010751213 [0,1,1,0,0,0|2,0,0]=4 267 B22R3.1561839 COc1ccc(c(c1)C)N(C)c2ccnc3c2CCC3 27a_103496583619_100000102697 [1,1,0,0,0,0|1,0,0]=3 268 B22R3.1561839 COc1ccc(c(c1)C)N(C)c2ncnc3c2CCC3 27a_103496583619_100000750143 [1,1,0,0,0,0|0,0,0]=2 269 B22R3.1561839 COc1ccc(c(c1)C)N(C)c2ncnc3c2CCN3 27a_103496583619_200000104052 [1,1,0,0,0,0|1,0,0]=3 270 B22R3.3113211 COc1ccc(cc1I)N(C)c2ccnc3c2CCC3 27a_114948341033_100000102697 [1,1,0,0,0,0|1,0,0]=3 271 B22R3.3113211 COc1ccc(cc1I)N(C)c2ncnc3c2CCC3 27a_114948341033_100000750143 [1,1,0,0,0,0|0,0,0]=2 272 B22R3.3113211 COc1ccc(cc1I)N(C)c2ncnc3c2CCN3 27a_114948341033_200000104052 [1,1,0,0,0,0|1,0,0]=3 273 B22R3.5395503 CCOc1ccc(cc1)N(C)c2ccnc3c2CCC3 27a_100025784348_100000102697 [1,1,0,0,0,0|1,0,0]=3 274 B22R3.5395503 CCOc1ccc(cc1)N(C)c2ncnc3c2CCC3 27a_100025784348_100000750143 [1,1,0,0,0,0|0,0,0]=2 275 B22R3.5395503 CCOc1ccc(cc1)N(C)c2ncnc3c2CCN3 27a_100025784348_200000104052 [1,1,0,0,0,0|1,0,0]=3 276 B22R3.6090726 COc1ccc(cc1)N(C)c2ccnc3c2CCC3O 27a_100000220023_100009868430 [1,1,0,0,0,0|1,0,0]=3 277 B22R3.12341506 CC(C)c1ccc(cc1)N(C)c2ccnc3c2CCC3 27a_100000688768_100000102697 [1,1,0,0,0,0|2,0,0]=4 278 B22R3.12341506 CC(C)c1ccc(cc1)N(C)c2ncnc3c2CCC3 27a_100000688768_100000750143 [1,1,0,0,0,0|1,0,0]=3 279 B22R3.12341506 CC(C)c1ccc(cc1)N(C)c2ncnc3c2CCN3 27a_100000688768_200000104052 [1,1,0,0,0,0|2,0,0]=4 280 B22R3.12341506 CN(c1ccc(cc1)[N+](=O)[O-])c2ncnc3c2CCC3 27a_100000156523_100000750143 [1,1,0,0,0,0|2,0,0]=4 281 B22R3.624335 C=C(C)c1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100000185454_100011240833 [1,1,0,0,0,0|2,0,0]=4 282 B22R3.624335 C=C(C)c1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000185454 [1,1,0,0,0,0|2,0,0]=4 283 B22R3.624335 CC(=O)c1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100000185465_100011240833 [1,1,0,0,0,0|2,0,0]=4 284 B22R3.624335 CC(=O)c1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000185465 [1,1,0,0,0,0|2,0,0]=4 285 B22R3.624335 Cc1nc2c(c(n1)Nc3ccc(cc3)C(=O)N)CCC2 27a_100000210537_100011240833 [1,1,0,0,0,0|2,0,0]=4 286 B22R3.624335 Cc1nc2c(c(n1)Nc3ccc(cc3)C(=S)N)CCC2 27a_100000739662_100011240833 [1,1,0,0,0,0|2,0,0]=4 287 B22R3.624335 Cc1nc2c(c(n1)Nc3ccc(cc3)C(C)C)CCC2 27a_100000210773_100011240833 [1,1,0,0,0,0|1,0,0]=3 288 B22R3.624335 Cc1nc2c(c(n1)Nc3ccc(cc3)C(C)O)CCC2 27a_100011216399_100011240833 [1,1,0,0,0,0|1,0,0]=3 289 B22R3.624335 Cc1nc2c(c(n1)Nc3ccc(cc3)C(F)F)CCC2 27a_100020620101_100011240833 [1,1,0,0,0,0|2,0,0]=4 290 B22R3.624335 Cc1nc2c(c(n1)Nc3ccc(cc3)N(C)C)CCC2 27a_100016997997_100011240833 [1,1,0,0,0,0|1,0,0]=3 291 B22R3.624335 Cc1nc2c(c(n1)Nc3ccc(cc3)[N+](=O)[O-])CCC2 27a_100015195142_100011240833 [1,1,0,0,0,0|2,0,0]=4 292 B22R3.624335 Cc1nc2c(c(n1)Sc3ccc(cc3)C(C)C)CCC2 62a_100000750031_100011240833 [1,1,0,0,0,0|2,0,0]=4 293 B22R3.624335 Cc1nc2c(c(n1)Sc3ccc(cc3)C(C)C)CCC2 62a_100011240833_100000750031 [1,1,0,0,0,0|2,0,0]=4 294 B22R3.624335 Cc1nc2c(c(n1)Sc3ccc(cc3)C(C)O)CCC2 62a_100000745893_100011240833 [1,1,0,0,0,0|2,0,0]=4 295 B22R3.624335 Cc1nc2c(c(n1)Sc3ccc(cc3)C(C)O)CCC2 62a_100011240833_100000745893 [1,1,0,0,0,0|2,0,0]=4 296 B22R3.624335 Cc1nc2c(c(n1)Sc3ccc(cc3)N(C)C)CCC2 62a_100000210421_100011240833 [1,1,0,0,0,0|2,0,0]=4 297 B22R3.624335 Cc1nc2c(c(n1)Sc3ccc(cc3)N(C)C)CCC2 62a_100011240833_100000210421 [1,1,0,0,0,0|2,0,0]=4 298 B22R3.624335 Cc1nc2c(c(n1)Sc3ccc(cc3)S(=O)C)CCC2 62a_100009816266_100011240833 [1,1,0,0,0,0|1,1,0]=4 299 B22R3.624335 Cc1nc2c(c(n1)Sc3ccc(cc3)[C@@H](C)N)CCC2 62a_100000720352_100011240833 [1,1,0,0,0,0|2,0,0]=4 300 B22R3.624335 Cc1nc2c(c(n1)Sc3ccc(cc3)[C@@H](C)N)CCC2 62a_100011240833_100000720352 [1,1,0,0,0,0|2,0,0]=4 301 B22R3.624335 Cc1nc2c(c(n1)Sc3ccc(cc3)[C@H](C)N)CCC2 62a_100000753911_100011240833 [1,1,0,0,0,0|2,0,0]=4 302 B22R3.624335 Cc1nc2c(c(n1)Sc3ccc(cc3)[C@H](C)N)CCC2 62a_100011240833_100000753911 [1,1,0,0,0,0|2,0,0]=4 303 B22R3.2890106 C/C=C/c1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100016259036 [1,1,0,0,0,0|2,0,0]=4 304 B22R3.2890106 C/C=C/c1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100016259036_100011240833 [1,1,0,0,0,0|2,0,0]=4 305 B22R3.2890106 C=COc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100000704263_100011240833 [1,1,0,0,0,0|1,0,1]=4 306 B22R3.2890106 C=COc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000704263 [1,1,0,0,0,0|1,0,1]=4 307 B22R3.2890106 CCCc1ccc(cc1)Nc2nc(nc3c2CCC3)C 27a_100000211780_100011240833 [1,1,0,0,0,0|1,0,0]=3 308 B22R3.2890106 CCCc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100000750032_100011240833 [1,1,0,0,0,0|2,0,0]=4 309 B22R3.2890106 CCCc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000750032 [1,1,0,0,0,0|2,0,0]=4 310 B22R3.2890106 CCNc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000219632 [1,1,0,0,0,0|2,0,0]=4 311 B22R3.2890106 CCOc1ccc(cc1)Nc2nc(nc3c2CCC3)C 27a_100000739623_100011240833 [1,1,0,0,0,0|0,0,0]=2 312 B22R3.2890106 CCOc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000171712 [1,1,0,0,0,0|1,0,0]=3 313 B22R3.2890106 CCOc1ccc(cn1)Sc2nc(nc3c2CCC3)C 62a_100011219444_100011240833 [1,1,0,0,0,0|2,0,0]=4 314 B22R3.2890106 CCOc1ccc(cn1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100011219444 [1,1,0,0,0,0|2,0,0]=4 315 B22R3.2890106 CCOc1ccc(nc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000753957 [1,1,0,0,0,0|2,0,0]=4 316 B22R3.2890106 CCOc1ccc(nc1)Sc2nc(nc3c2CCC3)C 62a_100012355646_100011240833 [1,1,0,0,0,0|2,0,0]=4 317 B22R3.2890106 CCSc1ccc(cc1)Nc2nc(nc3c2CCC3)C 27a_100015187087_100011240833 [1,1,0,0,0,0|0,1,0]=3 318 B22R3.2890106 CCSc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_200009811893 [1,1,0,0,0,0|1,1,0]=4 319 B22R3.2890106 CCSc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_200009811893_100011240833 [1,1,0,0,0,0|1,1,0]=4 320 B22R3.2890106 CNCc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100000180866_100011240833 [1,1,0,0,0,0|2,0,0]=4 321 B22R3.2890106 CNCc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000180866 [1,1,0,0,0,0|2,0,0]=4 322 B22R3.2890106 COCc1ccc(cc1)Nc2nc(nc3c2CCC3)C 27a_100000694113_100011240833 [1,1,0,0,0,0|0,0,0]=2 323 B22R3.2890106 COCc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100011493685 [1,1,0,0,0,0|1,0,0]=3 324 B22R3.2890106 COCc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011493685_100011240833 [1,1,0,0,0,0|1,0,0]=3 325 B22R3.2890106 CSCc1ccc(cc1)Nc2nc(nc3c2CCC3)C 27a_106726388226_100011240833 [1,1,0,0,0,0|0,1,0]=3 326 B22R3.2890106 Cc1nc2c(c(n1)Nc3ccc(cc3)CC#N)CCC2 27a_100000198999_100011240833 [1,1,0,0,0,0|1,0,1]=4 327 B22R3.2890106 Cc1nc2c(c(n1)Nc3ccc(cc3)CCO)CCC2 27a_100011204434_100011240833 [1,1,0,0,0,0|1,0,0]=3 328 B22R3.2890106 Cc1nc2c(c(n1)Nc3ccc(cc3)N=[N+]=[N-])CCC2 27a_100000032754_100011240833 [1,1,0,0,0,0|2,0,0]=4 329 B22R3.2890106 Cc1nc2c(c(n1)Sc3ccc(cc3)CCN)CCC2 62a_100000755846_100011240833 [1,1,0,0,0,0|2,0,0]=4 330 B22R3.2890106 Cc1nc2c(c(n1)Sc3ccc(cc3)CCN)CCC2 62a_100011240833_100000755846 [1,1,0,0,0,0|2,0,0]=4 331 B22R3.2890106 Cc1nc2c(c(n1)Sc3ccc(cc3)CCO)CCC2 62a_100000766406_100011240833 [1,1,0,0,0,0|2,0,0]=4 332 B22R3.2890106 Cc1nc2c(c(n1)Sc3ccc(cc3)CCO)CCC2 62a_100011240833_100000766406 [1,1,0,0,0,0|2,0,0]=4 333 B22R3.24019423 C#Cc1ccc(cc1Cl)Nc2nc(nc3c2CCC3)C 27a_100012001888_100011240833 [1,1,0,0,0,0|1,0,1]=4 334 B22R3.24019423 C#Cc1ccc(cc1F)Nc2nc(nc3c2CCC3)C 27a_100012001886_100011240833 [1,1,0,0,0,0|1,0,1]=4 335 B22R3.24019423 CCc1ccc(cc1Cl)Nc2nc(nc3c2CCC3)C 27a_100000766362_100011240833 [1,1,0,0,0,0|1,0,0]=3 336 B22R3.24019423 CCc1ccc(cc1F)Sc2nc(nc3c2CCC3)C 62a_100011240833_200010071577 [1,1,0,0,0,0|2,0,0]=4 337 B22R3.24019423 CCc1ccc(cc1F)Sc2nc(nc3c2CCC3)C 62a_200010071577_100011240833 [1,1,0,0,0,0|2,0,0]=4 338 B22R3.24019423 CCc1ccc(cc1N)Sc2nc(nc3c2CCC3)C 62a_100011240833_100012354963 [1,1,0,0,0,0|2,0,0]=4 339 B22R3.24019423 CCc1ccc(cc1N)Sc2nc(nc3c2CCC3)C 62a_100012354963_100011240833 [1,1,0,0,0,0|2,0,0]=4 340 B22R3.24019423 CNc1ccc(cc1C)Sc2nc(nc3c2CCC3)C 62a_100000221803_100011240833 [1,1,0,0,0,0|2,0,0]=4 341 B22R3.24019423 CNc1ccc(cc1C)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000221803 [1,1,0,0,0,0|2,0,0]=4 342 B22R3.24019423 CNc1ccc(cc1F)Sc2nc(nc3c2CCC3)C 62a_100000743884_100011240833 [1,1,0,0,0,0|2,0,0]=4 343 B22R3.24019423 CNc1ccc(cc1F)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000743884 [1,1,0,0,0,0|2,0,0]=4 344 B22R3.24019423 CNc1ccc(cc1N)Sc2nc(nc3c2CCC3)C 62a_100000741790_100011240833 [1,1,0,0,0,0|2,0,0]=4 345 B22R3.24019423 COc1ccc(cc1Br)Nc2nc(nc3c2CCC3)C 27a_100000187427_100011240833 [1,1,0,0,0,0|0,0,0]=2 346 B22R3.24019423 COc1ccc(cc1Br)Sc2nc(nc3c2CCC3)C 62a_100011240833_100011249507 [1,1,0,0,0,0|1,0,0]=3 347 B22R3.24019423 COc1ccc(cc1Br)Sc2nc(nc3c2CCC3)C 62a_100011249507_100011240833 [1,1,0,0,0,0|1,0,0]=3 348 B22R3.24019423 COc1ccc(cc1C)Nc2nc(nc3c2CCC3)C 27a_100000743268_100011240833 [1,1,0,0,0,0|0,0,0]=2 349 B22R3.24019423 COc1ccc(cc1C)Sc2nc(nc3c2CCC3)C 62a_100011219705_100011240833 [1,1,0,0,0,0|1,0,0]=3 350 B22R3.24019423 COc1ccc(cc1C)Sc2nc(nc3c2CCC3)C 62a_100011240833_100011219705 [1,1,0,0,0,0|1,0,0]=3 351 B22R3.24019423 COc1ccc(cc1Cl)Nc2nc(nc3c2CCC3)C 27a_100000211044_100011240833 [1,1,0,0,0,0|0,0,0]=2 352 B22R3.24019423 COc1ccc(cc1Cl)Sc2nc(nc3c2CCC3)C 62a_100011240833_100012355395 [1,1,0,0,0,0|1,0,0]=3 353 B22R3.24019423 COc1ccc(cc1Cl)Sc2nc(nc3c2CCC3)C 62a_100012355395_100011240833 [1,1,0,0,0,0|1,0,0]=3 354 B22R3.24019423 COc1ccc(cc1F)Nc2nc(nc3c2CCC3)C 27a_100000740183_100011240833 [1,1,0,0,0,0|0,0,0]=2 355 B22R3.24019423 COc1ccc(cc1F)Sc2nc(nc3c2CCC3)C 62a_100000171752_100011240833 [1,1,0,0,0,0|1,0,0]=3 356 B22R3.24019423 COc1ccc(cc1F)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000171752 [1,1,0,0,0,0|1,0,0]=3 357 B22R3.24019423 COc1ccc(cc1I)Nc2nc(nc3c2CCC3)C 27a_100011356947_100011240833 [1,1,0,0,0,0|0,0,0]=2 358 B22R3.24019423 COc1ccc(cc1N)Sc2nc(nc3c2CCC3)C 62a_100011240833_100011249504 [1,1,0,0,0,0|1,0,0]=3 359 B22R3.24019423 COc1ccc(cc1N)Sc2nc(nc3c2CCC3)C 62a_100011249504_100011240833 [1,1,0,0,0,0|1,0,0]=3 360 B22R3.24019423 COc1ccc(cc1O)Nc2nc(nc3c2CCC3)C 27a_100000211920_100011240833 [1,1,0,0,0,0|0,0,0]=2 361 B22R3.24019423 COc1ccc(cc1O)Sc2nc(nc3c2CCC3)C 62a_100011240833_100009816560 [1,1,0,0,0,0|1,0,0]=3 362 B22R3.24019423 COc1ccc(nc1Br)Sc2nc(nc3c2CCC3)C 62a_100010214827_100011240833 [1,1,0,0,0,0|2,0,0]=4 363 B22R3.24019423 COc1ccc(nc1Br)Sc2nc(nc3c2CCC3)C 62a_100011240833_100010214827 [1,1,0,0,0,0|2,0,0]=4 364 B22R3.24019423 COc1ccc(nc1C)Sc2nc(nc3c2CCC3)C 62a_100010244750_100011240833 [1,1,0,0,0,0|2,0,0]=4 365 B22R3.24019423 COc1ccc(nc1C)Sc2nc(nc3c2CCC3)C 62a_100011240833_100010244750 [1,1,0,0,0,0|2,0,0]=4 366 B22R3.24019423 COc1ccc(nc1Cl)Sc2nc(nc3c2CCC3)C 62a_100011240833_100010233546 [1,1,0,0,0,0|2,0,0]=4 367 B22R3.24019423 COc1ccc(nc1F)Sc2nc(nc3c2CCC3)C 62a_100010138636_100011240833 [1,1,0,0,0,0|2,0,0]=4 368 B22R3.24019423 COc1ccc(nc1F)Sc2nc(nc3c2CCC3)C 62a_100011240833_100010138636 [1,1,0,0,0,0|2,0,0]=4 369 B22R3.24019423 COc1ccc(nc1N)Sc2nc(nc3c2CCC3)C 62a_100010192976_100011240833 [1,1,0,0,0,0|2,0,0]=4 370 B22R3.24019423 COc1cnc(cc1N)Sc2nc(nc3c2CCC3)C 62a_100010896307_100011240833 [1,1,0,0,0,0|2,0,0]=4 371 B22R3.24019423 COc1cnc(cc1N)Sc2nc(nc3c2CCC3)C 62a_100011240833_100010896307 [1,1,0,0,0,0|2,0,0]=4 372 B22R3.24019423 COc1cnc(cc1O)Sc2nc(nc3c2CCC3)C 62a_100011240833_100010264082 [1,1,0,0,0,0|2,0,0]=4 373 B22R3.24019423 COc1ncc(cc1Br)Sc2nc(nc3c2CCC3)C 62a_100011240833_200010988584 [1,1,0,0,0,0|2,0,0]=4 374 B22R3.24019423 COc1ncc(cc1Br)Sc2nc(nc3c2CCC3)C 62a_200010988584_100011240833 [1,1,0,0,0,0|2,0,0]=4 375 B22R3.24019423 COc1ncc(cc1C)Sc2nc(nc3c2CCC3)C 62a_100011240833_100011290809 [1,1,0,0,0,0|2,0,0]=4 376 B22R3.24019423 COc1ncc(cc1C)Sc2nc(nc3c2CCC3)C 62a_100011290809_100011240833 [1,1,0,0,0,0|2,0,0]=4 377 B22R3.24019423 COc1ncc(cc1F)Sc2nc(nc3c2CCC3)C 62a_100011240833_100011880707 [1,1,0,0,0,0|2,0,0]=4 378 B22R3.24019423 COc1ncc(cc1F)Sc2nc(nc3c2CCC3)C 62a_100011880707_100011240833 [1,1,0,0,0,0|2,0,0]=4 379 B22R3.24019423 COc1ncc(cc1N)Sc2nc(nc3c2CCC3)C 62a_100000748608_100011240833 [1,1,0,0,0,0|2,0,0]=4 380 B22R3.24019423 COc1ncc(cc1N)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000748608 [1,1,0,0,0,0|2,0,0]=4 381 B22R3.24019423 COc1ncc(cc1O)Sc2nc(nc3c2CCC3)C 62a_100011240833_100010135713 [1,1,0,0,0,0|2,0,0]=4 382 B22R3.24019423 CSc1ccc(cc1Cl)Sc2nc(nc3c2CCC3)C 62a_100011240833_206447510565 [1,1,0,0,0,0|1,1,0]=4 383 B22R3.24019423 CSc1ccc(cc1Cl)Sc2nc(nc3c2CCC3)C 62a_206447510565_100011240833 [1,1,0,0,0,0|1,1,0]=4 384 B22R3.24019423 CSc1ccc(cc1F)Nc2nc(nc3c2CCC3)C 27a_100000762756_100011240833 [1,1,0,0,0,0|0,1,0]=3 385 B22R3.24019423 CSc1ccc(cc1F)Sc2nc(nc3c2CCC3)C 62a_100010161220_100011240833 [1,1,0,0,0,0|1,1,0]=4 386 B22R3.24019423 CSc1ccc(cc1F)Sc2nc(nc3c2CCC3)C 62a_100011240833_100010161220 [1,1,0,0,0,0|1,1,0]=4 387 B22R3.24019423 Cc1nc2c(c(n1)Nc3ccc(c(c3)Br)C#N)CCC2 27a_100000689153_100011240833 [1,1,0,0,0,0|2,0,0]=4 388 B22R3.24019423 Cc1nc2c(c(n1)Nc3ccc(c(c3)C)C#N)CCC2 27a_100011999795_100011240833 [1,1,0,0,0,0|2,0,0]=4 389 B22R3.24019423 Cc1nc2c(c(n1)Nc3ccc(c(c3)C)CO)CCC2 27a_100000102464_100011240833 [1,1,0,0,0,0|2,0,0]=4 390 B22R3.24019423 Cc1nc2c(c(n1)Nc3ccc(c(c3)Cl)C#N)CCC2 27a_100000211542_100011240833 [1,1,0,0,0,0|2,0,0]=4 391 B22R3.24019423 Cc1nc2c(c(n1)Nc3ccc(c(c3)Cl)CO)CCC2 27a_100000689119_100011240833 [1,1,0,0,0,0|2,0,0]=4 392 B22R3.24019423 Cc1nc2c(c(n1)Nc3ccc(c(c3)F)C#N)CCC2 27a_100000765089_100011240833 [1,1,0,0,0,0|2,0,0]=4 393 B22R3.24019423 Cc1nc2c(c(n1)Nc3ccc(c(c3)O)C#N)CCC2 27a_100000094571_100011240833 [1,1,0,0,0,0|2,0,0]=4 394 B22R3.123154825 CCc1ccc(c(c1)Br)Nc2nc(nc3c2CCC3)C 27a_100012339725_100011240833 [1,1,0,0,0,0|1,0,0]=3 395 B22R3.123154825 CCc1ccc(c(c1)Br)Sc2nc(nc3c2CCC3)C 62a_100011240833_200009997437 [1,1,0,0,0,0|2,0,0]=4 396 B22R3.123154825 CCc1ccc(c(c1)Br)Sc2nc(nc3c2CCC3)C 62a_200009997437_100011240833 [1,1,0,0,0,0|2,0,0]=4 397 B22R3.123154825 CCc1ccc(c(c1)C)Nc2nc(nc3c2CCC3)C 27a_100011226020_100011240833 [1,1,0,0,0,0|1,0,0]=3 398 B22R3.123154825 CCc1ccc(c(c1)F)Nc2nc(nc3c2CCC3)C 27a_100016177294_100011240833 [1,1,0,0,0,0|1,0,0]=3 399 B22R3.123154825 CCc1ccc(c(c1)F)Sc2nc(nc3c2CCC3)C 62a_100011240833_200010339503 [1,1,0,0,0,0|2,0,0]=4 400 B22R3.123154825 CCc1ccc(c(c1)F)Sc2nc(nc3c2CCC3)C 62a_200010339503_100011240833 [1,1,0,0,0,0|2,0,0]=4 401 B22R3.123154825 CCc1ccc(c(c1)O)Nc2nc(nc3c2CCC3)C 27a_100000124328_100011240833 [1,1,0,0,0,0|1,0,0]=3 402 B22R3.123154825 CNc1ccc(c(c1)C)Sc2nc(nc3c2CCC3)C 62a_100011240833_100102888905 [1,1,0,0,0,0|2,0,0]=4 403 B22R3.123154825 CNc1ccc(c(c1)C)Sc2nc(nc3c2CCC3)C 62a_100102888905_100011240833 [1,1,0,0,0,0|2,0,0]=4 404 B22R3.123154825 CNc1ccc(c(c1)F)Sc2nc(nc3c2CCC3)C 62a_100011240833_100012285320 [1,1,0,0,0,0|2,0,0]=4 405 B22R3.123154825 CNc1ccc(c(c1)F)Sc2nc(nc3c2CCC3)C 62a_100012285320_100011240833 [1,1,0,0,0,0|2,0,0]=4 406 B22R3.123154825 COc1cc(c(cn1)Sc2nc(nc3c2CCC3)C)C 62a_100011240833_100011934368 [1,1,0,0,0,0|2,0,0]=4 407 B22R3.123154825 COc1cc(c(cn1)Sc2nc(nc3c2CCC3)C)C 62a_100011934368_100011240833 [1,1,0,0,0,0|2,0,0]=4 408 B22R3.123154825 COc1cc(c(cn1)Sc2nc(nc3c2CCC3)C)F 62a_100010136277_100011240833 [1,1,0,0,0,0|2,0,0]=4 409 B22R3.123154825 COc1cc(c(cn1)Sc2nc(nc3c2CCC3)C)F 62a_100011240833_100010136277 [1,1,0,0,0,0|2,0,0]=4 410 B22R3.123154825 COc1cc(c(cn1)Sc2nc(nc3c2CCC3)C)N 62a_100010254562_100011240833 [1,1,0,0,0,0|2,0,0]=4 411 B22R3.123154825 COc1cc(c(cn1)Sc2nc(nc3c2CCC3)C)N 62a_100011240833_100010254562 [1,1,0,0,0,0|2,0,0]=4 412 B22R3.123154825 COc1cc(c(cn1)Sc2nc(nc3c2CCC3)C)O 62a_100010738159_100011240833 [1,1,0,0,0,0|2,0,0]=4 413 B22R3.123154825 COc1cc(c(cn1)Sc2nc(nc3c2CCC3)C)O 62a_100011240833_100010738159 [1,1,0,0,0,0|2,0,0]=4 414 B22R3.123154825 COc1ccc(c(c1)Br)Sc2nc(nc3c2CCC3)C 62a_100011240833_100012349170 [1,1,0,0,0,0|1,0,0]=3 415 B22R3.123154825 COc1ccc(c(c1)Br)Sc2nc(nc3c2CCC3)C 62a_100012349170_100011240833 [1,1,0,0,0,0|1,0,0]=3 416 B22R3.123154825 COc1ccc(c(c1)C)Nc2nc(nc3c2CCC3)C 27a_100000750285_100011240833 [1,1,0,0,0,0|0,0,0]=2 417 B22R3.123154825 COc1ccc(c(c1)C)Sc2nc(nc3c2CCC3)C 62a_100000759875_100011240833 [1,1,0,0,0,0|1,0,0]=3 418 B22R3.123154825 COc1ccc(c(c1)C)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000759875 [1,1,0,0,0,0|1,0,0]=3 419 B22R3.123154825 COc1ccc(c(c1)Cl)Nc2nc(nc3c2CCC3)C 27a_100000747055_100011240833 [1,1,0,0,0,0|0,0,0]=2 420 B22R3.123154825 COc1ccc(c(c1)F)Nc2nc(nc3c2CCC3)C 27a_100011299463_100011240833 [1,1,0,0,0,0|0,0,0]=2 421 B22R3.123154825 COc1ccc(c(c1)F)Sc2nc(nc3c2CCC3)C 62a_100000753793_100011240833 [1,1,0,0,0,0|1,0,0]=3 422 B22R3.123154825 COc1ccc(c(c1)F)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000753793 [1,1,0,0,0,0|1,0,0]=3 423 B22R3.123154825 COc1ccc(c(c1)I)Nc2nc(nc3c2CCC3)C 27a_100000049804_100011240833 [1,1,0,0,0,0|0,0,0]=2 424 B22R3.123154825 COc1ccc(c(c1)N)Sc2nc(nc3c2CCC3)C 62a_100000748021_100011240833 [1,1,0,0,0,0|1,0,0]=3 425 B22R3.123154825 COc1ccc(c(c1)N)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000748021 [1,1,0,0,0,0|1,0,0]=3 426 B22R3.123154825 COc1ccc(c(c1)O)Nc2nc(nc3c2CCC3)C 27a_100016989039_100011240833 [1,1,0,0,0,0|0,0,0]=2 427 B22R3.123154825 COc1ccc(c(c1)O)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000719091 [1,1,0,0,0,0|1,0,0]=3 428 B22R3.123154825 COc1ccc(c(n1)C)Sc2nc(nc3c2CCC3)C 62a_100000766551_100011240833 [1,1,0,0,0,0|2,0,0]=4 429 B22R3.123154825 COc1ccc(c(n1)C)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000766551 [1,1,0,0,0,0|2,0,0]=4 430 B22R3.123154825 COc1ccc(c(n1)F)Sc2nc(nc3c2CCC3)C 62a_100010067559_100011240833 [1,1,0,0,0,0|2,0,0]=4 431 B22R3.123154825 COc1ccc(c(n1)F)Sc2nc(nc3c2CCC3)C 62a_100011240833_100010067559 [1,1,0,0,0,0|2,0,0]=4 432 B22R3.123154825 COc1ccc(c(n1)N)Sc2nc(nc3c2CCC3)C 62a_100010187629_100011240833 [1,1,0,0,0,0|2,0,0]=4 433 B22R3.123154825 COc1cnc(c(c1)C)Sc2nc(nc3c2CCC3)C 62a_100011240833_200009851512 [1,1,0,0,0,0|2,0,0]=4 434 B22R3.123154825 COc1cnc(c(c1)N)Sc2nc(nc3c2CCC3)C 62a_100010074831_100011240833 [1,1,0,0,0,0|2,0,0]=4 435 B22R3.123154825 COc1cnc(c(c1)N)Sc2nc(nc3c2CCC3)C 62a_100011240833_100010074831 [1,1,0,0,0,0|2,0,0]=4 436 B22R3.123154825 CSc1ccc(c(c1)F)Sc2nc(nc3c2CCC3)C 62a_100009816902_100011240833 [1,1,0,0,0,0|1,1,0]=4 437 B22R3.123154825 CSc1ccc(c(c1)F)Sc2nc(nc3c2CCC3)C 62a_100011240833_100009816902 [1,1,0,0,0,0|1,1,0]=4 438 B22R3.123154825 Cc1nc2c(c(n1)Nc3ccc(cc3C)CO)CCC2 27a_200011997030_100011240833 [1,1,0,0,0,0|2,0,0]=4 439 B22R3.123154825 Cc1nc2c(c(n1)Nc3ccc(cc3F)CO)CCC2 27a_100011217239_100011240833 [1,1,0,0,0,0|2,0,0]=4 440 B22R3.15343377 Cc1nc2c(c(n1)N(C)c3ccc(c(c3)Br)C)CCC2 27a_100000707694_100011240833 [1,1,0,0,0,0|0,0,0]=2 441 B22R3.15343377 Cc1nc2c(c(n1)N(C)c3ccc(c(c3)C)Br)CCC2 27a_100102888905_100011240833 [1,1,0,0,0,0|1,0,0]=3 442 B22R3.15343377 Cc1nc2c(c(n1)N(C)c3ccc(c(c3)C)Cl)CCC2 27a_114849113799_100011240833 [1,1,0,0,0,0|1,0,0]=3 443 B22R3.15343377 Cc1nc2c(c(n1)N(C)c3ccc(c(c3)C)F)CCC2 27a_100011756966_100011240833 [1,1,0,0,0,0|1,0,0]=3 444 B22R3.15343377 Cc1nc2c(c(n1)N(C)c3ccc(c(c3)Cl)C)CCC2 27a_100000220120_100011240833 [1,1,0,0,0,0|0,0,0]=2 445 B22R3.15343377 Cc1nc2c(c(n1)N(C)c3ccc(c(c3)Cl)Cl)CCC2 27a_100000219944_100011240833 [1,1,0,0,0,0|1,0,0]=3 446 B22R3.15343377 Cc1nc2c(c(n1)N(C)c3ccc(c(c3)Cl)F)CCC2 27a_100000697440_100011240833 [1,1,0,0,0,0|1,0,0]=3 447 B22R3.15343377 Cc1nc2c(c(n1)N(C)c3ccc(c(c3)F)Br)CCC2 27a_100012285320_100011240833 [1,1,0,0,0,0|1,0,0]=3 448 B22R3.15343377 Cc1nc2c(c(n1)N(C)c3ccc(c(c3)F)C)CCC2 27a_100160572069_100011240833 [1,1,0,0,0,0|0,0,0]=2 449 B22R3.15343377 Cc1nc2c(c(n1)N(C)c3ccc(c(c3)F)F)CCC2 27a_100000221014_100011240833 [1,1,0,0,0,0|1,0,0]=3 450 B22R3.78240589 Cc1nc2c(c(n1)N(C)c3ccc(cc3Br)Br)CCC2 27a_200000221195_100011240833 [1,1,0,0,0,0|1,0,0]=3 451 B22R3.78240589 Cc1nc2c(c(n1)N(C)c3ccc(cc3Br)Cl)CCC2 27a_100020633009_100011240833 [1,1,0,0,0,0|1,0,0]=3 452 B22R3.78240589 Cc1nc2c(c(n1)N(C)c3ccc(cc3Br)F)CCC2 27a_100011246292_100011240833 [1,1,0,0,0,0|1,0,0]=3 453 B22R3.78240589 Cc1nc2c(c(n1)N(C)c3ccc(cc3C)Br)CCC2 27a_100000221803_100011240833 [1,1,0,0,0,0|1,0,0]=3 454 B22R3.78240589 Cc1nc2c(c(n1)N(C)c3ccc(cc3C)Cl)CCC2 27a_114849113698_100011240833 [1,1,0,0,0,0|1,0,0]=3 455 B22R3.78240589 Cc1nc2c(c(n1)N(C)c3ccc(cc3C)O)CCC2 27a_100161107805_100011240833 [1,1,0,0,0,0|0,0,0]=2 456 B22R3.78240589 Cc1nc2c(c(n1)N(C)c3ccc(cc3Cl)Br)CCC2 27a_100000221650_100011240833 [1,1,0,0,0,0|1,0,0]=3 457 B22R3.78240589 Cc1nc2c(c(n1)N(C)c3ccc(cc3F)Br)CCC2 27a_100000743884_100011240833 [1,1,0,0,0,0|1,0,0]=3 458 B22R3.128918966 CCN(c1ccc(cc1)Br)c2nc(nc3c2CCC3)C 27a_100000219632_100011240833 [1,1,0,0,0,0|1,0,0]=3 459 B22R3.128918966 CCN(c1ccc(cc1)O)c2nc(nc3c2CCC3)C 27a_100011337800_100011240833 [1,1,0,0,0,0|0,0,0]=2 460 B24R3.3191711 Cc1nc2c(c(n1)N(C)Cc3ccc(cc3)N(C)C)CCC2 27a_100000186899_100011240833 [0,1,0,0,0,1|1,0,0]=3 461 B24R3.3191711 Cc1nc2c(c(n1)N(C)Cc3ccc(cc3)[N+](=O)[O-])CCC2 27a_100015189985_100011240833 [0,1,0,0,0,1|2,0,0]=4 462 B24R3.61753658 COc1ccc(cc1C)CN(C)c2nc(nc3c2CCC3)C 27a_100000241087_100011240833 [0,1,0,0,0,1|0,0,0]=2 463 B24R3.61753658 COc1ccc(cc1O)CN(C)c2nc(nc3c2CCC3)C 27a_100000188468_100011240833 [0,1,0,0,0,1|0,0,0]=2 464 B24R3.61756878 COc1ccc(cc1)C(C)N(C)c2nc(nc3c2CCC3)C 27a_100000736477_100011240833 [0,1,0,0,0,1|0,0,0]=2 465 B24R3.117321792 CCOc1ccc(cc1)CN(C)c2nc(nc3c2CCC3)C 27a_100000180828_100011240833 [0,1,0,0,0,1|0,0,0]=2 466 B24R3.132461966 CCN(Cc1ccc(cc1)OC)c2nc(nc3c2CCC3)C 27a_100000741509_100011240833 [0,1,0,0,0,1|0,0,0]=2 467 B24R3.132461966 CCN(Cc1ccc(cc1)SC)c2nc(nc3c2CCC3)C 27a_100015183344_100011240833 [0,1,0,0,0,1|0,1,0]=3 468 B24R3.132461966 CCc1ccc(cc1)CN(CC)c2nc(nc3c2CCC3)C 27a_100015187470_100011240833 [0,1,0,0,0,1|1,0,0]=3 469 B24R3.3191651 Cc1nc2c(c(n1)NC(C)c3ccc(cc3)C(C)C)CCC2 27a_100000181356_100011240833 [0,1,0,0,0,1|2,0,0]=4 470 B24R3.3191651 Cc1nc2c(c(n1)SC(C)c3ccc(cc3)C(C)C)CCC2 62a_100011240833_200000700246 [0,1,0,0,0,1|2,0,0]=4 471 B24R3.3191651 Cc1nc2c(c(n1)SC(C)c3ccc(cc3)C(C)C)CCC2 62a_200000700246_100011240833 [0,1,0,0,0,1|2,0,0]=4 472 B24R3.13212843 COc1ccc(cc1)C(C)(C)Nc2nc(nc3c2CCC3)C 27a_200015186604_100011240833 [0,1,0,0,0,1|1,0,0]=3 473 B24R3.13222359 CCC(Nc1nc(nc2c1CCC2)C)c3ccc(cc3)OC 27a_100000195527_100011240833 [0,1,0,0,0,1|1,0,0]=3 474 B24R3.13222359 CC[C@@H](Nc1nc(nc2c1CCC2)C)c3ccc(nc3)OC 27a_103436537693_100011240833 [0,1,0,0,0,1|2,0,0]=4 475 B24R3.13222359 CCc1ccc(cc1)[C@H](CC)Nc2nc(nc3c2CCC3)C 27a_100020633697_100011240833 [0,1,0,0,0,1|2,0,0]=4 476 B24R3.13222359 COc1ccc(cc1)C(CO)Nc2nc(nc3c2CCC3)C 27a_100000751956_100011240833 [0,1,0,0,0,1|1,0,0]=3 477 B24R3.62061958 COc1ccc(cc1C)C(C)Nc2nc(nc3c2CCC3)C 27a_100015183133_100011240833 [0,1,0,0,0,1|1,0,0]=3 478 B24R3.62061958 COc1ccc(cc1F)C(C)Nc2nc(nc3c2CCC3)C 27a_100000204609_100011240833 [0,1,0,0,0,1|1,0,0]=3 479 B24R3.83678304 COc1ccc(c(c1)Cl)[C@H](C)Nc2nc(nc3c2CCC3)C 27a_100132314089_100011240833 [0,1,0,0,0,1|1,0,0]=3 480 B24R3.83678304 COc1ccc(c(c1)F)[C@@H](C)Nc2nc(nc3c2CCC3)C 27a_100016991463_100011240833 [0,1,0,0,0,1|1,0,0]=3 481 B24R3.117193808 CCOc1ccc(cc1)C(C)Nc2nc(nc3c2CCC3)C 27a_100000740525_100011240833 [0,1,0,0,0,1|1,0,0]=3 482 B24R3.3204275 Cc1nc2c(c(n1)N(C)c3ccc(cc3)C(C)C)CCCC2 27a_100000688768_100011467566 [0,1,0,0,0,1|1,0,0]=3 483 B24R3.3204275 Cc1nc2c(c(n1)N(C)c3ccc(cc3)[N+](=O)[O-])CCCC2 27a_100000156523_100011467566 [0,1,0,0,0,1|2,0,0]=4 484 B24R3.13240055 C=C(c1ccc(cc1)OC)c2nc(nc3c2CCCC3)SC 271570a_100010144143_100010000299 [0,1,0,0,0,1|1,0,1]=4 485 B24R3.13240055 COc1ccc(cc1)N(C)c2nc(nc3c2CCCC3)SC 27a_100000220023_100010000299 [0,1,0,0,0,1|0,0,0]=2 486 B24R3.62056205 COc1ccc(cc1I)N(C)c2nc(nc3c2CCCC3)C 27a_114948341033_100011467566 [0,1,0,0,0,1|0,0,0]=2 487 B24R3.117163034 CCOc1ccc(cc1)N(C)c2nc(nc3c2CCCC3)C 27a_100025784348_100011467566 [0,1,0,0,0,1|0,0,0]=2 488 B24R3.397235529 COc1ccc(c(c1)C)N(C)c2nc(nc3c2CCCC3)C 27a_103496583619_100011467566 [0,1,0,0,0,1|0,0,0]=2 489 B24R3.3191821 Cc1nc2c(c(n1)N(C)c3ccc(cc3)C(C)(C)C)CCC2 27a_100000220326_100011240833 [0,2,0,0,0,0|1,0,0]=3 490 B24R3.3191823 Cc1nc2c(c(n1)N(C)c3ccc(cc3Br)[N+](=O)[O-])CCC2 27a_200011534181_100011240833 [0,2,0,0,0,0|2,0,0]=4 491 B24R3.3191823 Cc1nc2c(c(n1)N(C)c3ccc(cc3C)[N+](=O)[O-])CCC2 27a_200011219100_100011240833 [0,2,0,0,0,0|2,0,0]=4 492 B24R3.3191828 Cc1nc2c(c(n1)N(C)c3ccc(c(c3)C)[N+](=O)[O-])CCC2 27a_100000686994_100011240833 [0,2,0,0,0,0|2,0,0]=4 493 B24R3.13348938 COc1ccc(cc1)N(c2nc(nc3c2CCC3)C)C(C)C 27a_100000220024_100011240833 [0,2,0,0,0,0|0,0,0]=2 494 B24R3.265149523 CCCN(c1ccc(cc1)CC)c2nc(nc3c2CCC3)C 27a_100011231861_100011240833 [0,2,0,0,0,0|1,0,0]=3 495 B24R3.3191822 CC(=O)Nc1ccc(cc1)N(C)c2nc(nc3c2CCC3)C 27a_100000219403_100011240833 [0,2,0,0,0,0|1,0,0]=3 496 B22R4.593511 Cc1nc2c(c(n1)Sc3ccc4c(c3)CC4)CCC2 62a_100009818592_100011240833 [1,0,0,1,0,0|2,0,0]=4 497 B22R4.593511 Cc1nc2c(c(n1)Sc3ccc4c(c3)CC4)CCC2 62a_100011240833_100009818592 [1,0,0,1,0,0|2,0,0]=4 498 B24R4.985647063 COc1ccc2[nH]c(cc2c1)c3nc(nc4c3CCC4)C 271570a_100010246265_100011240833 [0,0,0,1,0,1|1,0,1]=4 499 B24R4.985647063 COc1ccc2c(c1)CN(C2)c3nc(nc4c3CCC4)C 27a_100000051402_100011240833 [0,0,0,1,0,1|0,0,0]=2 500 B24R4.985647063 COc1ccc2cc([nH]c2c1)c3nc(nc4c3CCC4)C 271570a_200010223215_100011240833 [0,0,0,1,0,1|2,0,0]=4 501 B24R4.985647063 COc1ccc2cc(oc2c1)c3nc(nc4c3CCC4)C 271570a_200009860666_100011240833 [0,0,0,1,0,1|2,0,0]=4 502 B24R4.985647063 COc1ccc2oc(cc2c1)c3nc(nc4c3CCC4)C 271570a_100000045403_100011240833 [0,0,0,1,0,1|1,0,1]=4 503 B24R4.985647063 Cc1nc2c(c(n1)N3Cc4ccc(cc4C3)C#N)CCC2 27a_100016995479_100011240833 [0,0,0,1,0,1|2,0,0]=4 504 B20R3.109841 C=Cc1ccc(cc1)c2nc(nc3c2CCC3)C 271570a_100000031483_100011240833 [1,0,0,0,1,0|1,0,1]=4 505 B20R3.109841 CCc1ccc(cc1)c2nc(nc3c2CCC3)C 271570a_100000767149_100011240833 [1,0,0,0,1,0|1,0,0]=3 506 B20R3.109841 CCc1ccc(cn1)c2nc(nc3c2CCC3)C 271570a_200010218414_100011240833 [1,0,0,0,1,0|2,0,0]=4 507 B20R3.109841 CNc1ccc(cc1)c2nc(nc3c2CCC3)C 271570a_100160571855_100011240833 [1,0,0,0,1,0|1,0,0]=3 508 B20R3.109841 CNc1ccc(cn1)c2nc(nc3c2CCC3)C 271570a_100010248704_100011240833 [1,0,0,0,1,0|2,0,0]=4 509 B20R3.109841 COc1ccc(cc1)c2nc(nc3c2CCC3)C 271570a_100000754496_100011240833 [1,0,0,0,1,0|0,0,0]=2 510 B20R3.109841 COc1ccc(cn1)c2nc(nc3c2CCC3)C 271570a_100000039284_100011240833 [1,0,0,0,1,0|1,0,0]=3 511 B20R3.109841 COc1ncc(cn1)c2nc(nc3c2CCC3)C 271570a_100011220022_100011240833 [1,0,0,0,1,0|2,0,0]=4 512 B20R3.109841 CSc1ccc(cc1)c2nc(nc3c2CCC3)C 271570a_100000703477_100011240833 [1,0,0,0,1,0|0,1,0]=3 513 B20R3.109841 CSc1ccc(cn1)c2nc(nc3c2CCC3)C 271570a_100000061890_100011240833 [1,0,0,0,1,0|1,1,0]=4 514 B20R3.109841 Cc1nc2c(c(n1)c3ccc(cc3)C#N)CCC2 271570a_100000034517_100011240833 [1,0,0,0,1,0|2,0,0]=4 515 B20R3.109841 Cc1nc2c(c(n1)c3ccc(cc3)C=O)CCC2 271570a_100000745240_100011240833 [1,0,0,0,1,0|2,0,0]=4 516 B20R3.109841 Cc1nc2c(c(n1)c3ccc(cc3)CBr)CCC2 271570a_100000695873_100011240833 [1,0,0,0,1,0|2,0,0]=4 517 B20R3.109841 Cc1nc2c(c(n1)c3ccc(cc3)CN)CCC2 271570a_100020603209_100011240833 [1,0,0,0,1,0|2,0,0]=4 518 B20R3.109841 Cc1nc2c(c(n1)c3ccc(cc3)CO)CCC2 271570a_100011830420_100011240833 [1,0,0,0,1,0|2,0,0]=4 519 B20R3.109841 Cc1nc2c(c(n1)c3ccc(cc3)NCl)CCC2 271570a_200015645402_100011240833 [1,0,0,0,1,0|2,0,0]=4 520 B22R2.39595 CCOc1cc(nc(n1)N)N(C)Cc2ccc(cc2)OC 27a_100000184145_100011996124 [0,0,1,0,0,1|2,0,0]=4 521 B22R2.135898 CCCc1cnc(nc1NC(C)c2ccc(cc2)CC)C 27a_100015186439_200000069602 [0,0,1,0,0,1|2,0,0]=4 522 B22R2.135898 CCCc1cnc(nc1NC(C)c2ccc(cc2)SC)C 27a_100000738722_200000069602 [0,0,1,0,0,1|1,1,0]=4 523 B22R2.135898 CCCc1cnc(nc1N[C@H](C)c2ccc(cc2)OC)C 27a_100011830352_200000069602 [0,0,1,0,0,1|1,0,0]=3 524 B22R2.137103 CCCc1cnc(nc1N(C)Cc2ccc(cc2)C#N)C 27a_100000217971_200000069602 [0,0,1,0,0,1|2,0,0]=4 525 B22R2.137103 CCCc1cnc(nc1N(C)Cc2ccc(cc2)CC)C 27a_100000683253_200000069602 [0,0,1,0,0,1|1,0,0]=3 526 B22R2.137103 CCCc1cnc(nc1N(C)Cc2ccc(cc2)OC)C 27a_100000184145_200000069602 [0,0,1,0,0,1|0,0,0]=2 527 B22R2.137103 CCCc1cnc(nc1N(C)Cc2ccc(cc2)SC)C 27a_102495365258_200000069602 [0,0,1,0,0,1|0,1,0]=3 528 B22R2.4373033 COc1ccc(cc1)CN(C)c2nc(nc(c2F)OC)C 27a_100000184145_100010751213 [0,0,1,0,0,1|2,0,0]=4 529 B22R3.14894 CCc1ccc(cc1)C(C)Nc2ncnc3c2CCC3 27a_100015186439_100000750143 [1,0,0,0,0,1|2,0,0]=4 530 B22R3.14894 COc1ccc(cc1)[C@@H](C)Nc2ccnc3c2CCC3 27a_100011830352_100000102697 [1,0,0,0,0,1|2,0,0]=4 531 B22R3.14894 COc1ccc(cc1)[C@@H](C)Nc2ncnc3c2CCC3 27a_100011830352_100000750143 [1,0,0,0,0,1|1,0,0]=3 532 B22R3.14894 COc1ccc(cc1)[C@@H](C)Nc2ncnc3c2CCN3 27a_100011830352_200000104052 [1,0,0,0,0,1|2,0,0]=4 533 B22R3.14894 CSc1ccc(cc1)C(C)Nc2ncnc3c2CCC3 27a_100000738722_100000750143 [1,0,0,0,0,1|1,1,0]=4 534 B22R3.16145 C=C(c1ccc(cc1)OC)c2ncnc3c2CCCC3 271570a_100010144143_100011467579 [1,0,0,0,0,1|1,0,1]=4 535 B22R3.16145 COc1ccc(cc1)N(C)c2ncnc3c2CCCC3 27a_100000220023_100011467579 [1,0,0,0,0,1|0,0,0]=2 536 B22R3.287921 CCc1ccc(cc1)CN(C)c2ccnc3c2CCC3 27a_100000683253_100000102697 [1,0,0,0,0,1|2,0,0]=4 537 B22R3.287921 CCc1ccc(cc1)CN(C)c2ncnc3c2CCC3 27a_100000683253_100000750143 [1,0,0,0,0,1|1,0,0]=3 538 B22R3.287921 CCc1ccc(cc1)CN(C)c2ncnc3c2CCN3 27a_100000683253_200000104052 [1,0,0,0,0,1|2,0,0]=4 539 B22R3.287921 CN(Cc1ccc(cc1)C#N)c2ncnc3c2CCC3 27a_100000217971_100000750143 [1,0,0,0,0,1|2,0,0]=4 540 B22R3.287921 COc1ccc(cc1)CN(C)c2ccnc3c2CCC3 27a_100000184145_100000102697 [1,0,0,0,0,1|1,0,0]=3 541 B22R3.287921 COc1ccc(cc1)CN(C)c2ncnc3c2CCC3 27a_100000184145_100000750143 [1,0,0,0,0,1|0,0,0]=2 542 B22R3.287921 COc1ccc(cc1)CN(C)c2ncnc3c2CCN3 27a_100000184145_200000104052 [1,0,0,0,0,1|1,0,0]=3 543 B22R3.287921 CSc1ccc(cc1)CN(C)c2ccnc3c2CCC3 27a_102495365258_100000102697 [1,0,0,0,0,1|1,1,0]=4 544 B22R3.287921 CSc1ccc(cc1)CN(C)c2ncnc3c2CCC3 27a_102495365258_100000750143 [1,0,0,0,0,1|0,1,0]=3 545 B22R3.287921 CSc1ccc(cc1)CN(C)c2ncnc3c2CCN3 27a_102495365258_200000104052 [1,0,0,0,0,1|1,1,0]=4 546 B22R3.14748 C#Cc1ccc(cc1)Nc2nc(nc3c2CCCC3)C 27a_100011215031_100011467566 [1,0,0,0,0,1|1,0,1]=4 547 B22R3.14748 C=Cc1ccc(cc1)Nc2nc(nc3c2CCCC3)C 27a_100011218248_100011467566 [1,0,0,0,0,1|1,0,1]=4 548 B22R3.14748 CCc1ccc(cc1)Nc2nc(nc3c2CCCC3)C 27a_100000211069_100011467566 [1,0,0,0,0,1|1,0,0]=3 549 B22R3.14748 CCc1ccc(cc1)Sc2nc(nc3c2CCCC3)C 62a_100011215824_100011467566 [1,0,0,0,0,1|2,0,0]=4 550 B22R3.14748 CCc1ccc(cc1)Sc2nc(nc3c2CCCC3)C 62a_100011467566_100011215824 [1,0,0,0,0,1|2,0,0]=4 551 B22R3.14748 CNc1ccc(cc1)Sc2nc(nc3c2CCCC3)C 62a_100000743151_100011467566 [1,0,0,0,0,1|2,0,0]=4 552 B22R3.14748 CNc1ccc(cc1)Sc2nc(nc3c2CCCC3)C 62a_100011467566_100000743151 [1,0,0,0,0,1|2,0,0]=4 553 B22R3.14748 COc1ccc(cc1)Nc2nc(nc3c2CCCC3)C 27a_100000184247_100011467566 [1,0,0,0,0,1|0,0,0]=2 554 B22R3.14748 COc1ccc(cc1)Sc2nc(nc3c2CCCC3)C 62a_100011467566_100000171711 [1,0,0,0,0,1|1,0,0]=3 555 B22R3.14748 COc1ccc(cn1)Sc2nc(nc3c2CCCC3)C 62a_100000047065_100011467566 [1,0,0,0,0,1|2,0,0]=4 556 B22R3.14748 COc1ccc(cn1)Sc2nc(nc3c2CCCC3)C 62a_100011467566_100000047065 [1,0,0,0,0,1|2,0,0]=4 557 B22R3.14748 COc1ccc(nc1)Sc2nc(nc3c2CCCC3)C 62a_100000755202_100011467566 [1,0,0,0,0,1|2,0,0]=4 558 B22R3.14748 COc1ccc(nc1)Sc2nc(nc3c2CCCC3)C 62a_100011467566_100000744180 [1,0,0,0,0,1|2,0,0]=4 559 B22R3.14748 CSc1ccc(cc1)Nc2nc(nc3c2CCCC3)C 27a_100000212337_100011467566 [1,0,0,0,0,1|0,1,0]=3 560 B22R3.14748 CSc1ccc(cc1)Sc2nc(nc3c2CCCC3)C 62a_100011263217_100011467566 [1,0,0,0,0,1|1,1,0]=4 561 B22R3.14748 CSc1ccc(cc1)Sc2nc(nc3c2CCCC3)C 62a_100011467566_100011263217 [1,0,0,0,0,1|1,1,0]=4 562 B22R3.14748 Cc1nc2c(c(n1)Nc3ccc(cc3)CO)CCCC2 27a_100011215238_100011467566 [1,0,0,0,0,1|2,0,0]=4 563 B22R3.288922 C#Cc1ccc(cc1)CNc2nc(nc3c2CCC3)C 27a_100015199678_100011240833 [1,0,0,0,0,1|1,0,1]=4 564 B22R3.288922 C=Cc1ccc(cc1)CNc2nc(nc3c2CCC3)C 27a_200011934891_100011240833 [1,0,0,0,0,1|1,0,1]=4 565 B22R3.288922 CCc1ccc(cc1)C=Cc2nc(nc3c2CCC3)C 271570a_200000062238_100011240833 [1,0,0,0,0,1|2,0,0]=4 566 B22R3.288922 CCc1ccc(cc1)CNc2nc(nc3c2CCC3)C 27a_100000721222_100011240833 [1,0,0,0,0,1|1,0,0]=3 567 B22R3.288922 CCc1ccc(cc1)CSc2nc(nc3c2CCC3)C 62a_100000757233_100011240833 [1,0,0,0,0,1|2,0,0]=4 568 B22R3.288922 CCc1ccc(cc1)CSc2nc(nc3c2CCC3)C 62a_100011240833_100000747183 [1,0,0,0,0,1|2,0,0]=4 569 B22R3.288922 CCc1ccc(nc1)CNc2nc(nc3c2CCC3)C 27a_100000069493_100011240833 [1,0,0,0,0,1|2,0,0]=4 570 B22R3.288922 COc1ccc(cc1)C=Cc2nc(nc3c2CCC3)C 271570a_100000062342_100011240833 [1,0,0,0,0,1|1,0,0]=3 571 B22R3.288922 COc1ccc(cc1)CNc2nc(nc3c2CCC3)C 27a_100000185587_100011240833 [1,0,0,0,0,1|0,0,0]=2 572 B22R3.288922 COc1ccc(cc1)CSc2nc(nc3c2CCC3)C 62a_100011240833_100000742318 [1,0,0,0,0,1|1,0,0]=3 573 B22R3.288922 COc1ccc(cn1)CNc2nc(nc3c2CCC3)C 27a_100000241975_100011240833 [1,0,0,0,0,1|1,0,0]=3 574 B22R3.288922 COc1ccc(cn1)CSc2nc(nc3c2CCC3)C 62a_100011240833_100020631284 [1,0,0,0,0,1|2,0,0]=4 575 B22R3.288922 COc1ccc(cn1)CSc2nc(nc3c2CCC3)C 62a_100020631284_100011240833 [1,0,0,0,0,1|2,0,0]=4 576 B22R3.288922 COc1ccc(nc1)CNc2nc(nc3c2CCC3)C 27a_100000703904_100011240833 [1,0,0,0,0,1|1,0,0]=3 577 B22R3.288922 COc1ccc(nc1)CSc2nc(nc3c2CCC3)C 62a_100011240833_200000757186 [1,0,0,0,0,1|2,0,0]=4 578 B22R3.288922 COc1ccc(nc1)CSc2nc(nc3c2CCC3)C 62a_200000757186_100011240833 [1,0,0,0,0,1|2,0,0]=4 579 B22R3.288922 CSc1ccc(cc1)CNc2nc(nc3c2CCC3)C 27a_100000174980_100011240833 [1,0,0,0,0,1|0,1,0]=3 580 B22R3.288922 CSc1ccc(cc1)CSc2nc(nc3c2CCC3)C 62a_100000181263_100011240833 [1,0,0,0,0,1|1,1,0]=4 581 B22R3.288922 CSc1ccc(cc1)CSc2nc(nc3c2CCC3)C 62a_100011240833_100000181263 [1,0,0,0,0,1|1,1,0]=4 582 B22R3.288922 Cc1nc2c(c(n1)NCc3ccc(cc3)C#N)CCC2 27a_100015207190_100011240833 [1,0,0,0,0,1|2,0,0]=4 583 B22R3.288922 Cc1nc2c(c(n1)NCc3ccc(cc3)CO)CCC2 27a_100015189231_100011240833 [1,0,0,0,0,1|2,0,0]=4 584 B22R3.15263756 C=C(c1ccc(cc1)C)c2nc(nc3c2CCCC3)C 271570a_100010895218_100011467566 [1,0,0,0,0,1|1,0,1]=4 585 B22R3.15263756 Cc1nc2c(c(n1)N(C)c3ccc(cc3)Br)CCCC2 27a_100000219623_100011467566 [1,0,0,0,0,1|1,0,0]=3 586 B22R3.15263756 Cc1nc2c(c(n1)N(C)c3ccc(cc3)Cl)CCCC2 27a_100020629279_100011467566 [1,0,0,0,0,1|1,0,0]=3 587 B22R3.15263756 Cc1nc2c(c(n1)N(C)c3ccc(cc3)F)CCCC2 27a_100000219829_100011467566 [1,0,0,0,0,1|1,0,0]=3 588 B22R3.15263756 Cc1nc2c(c(n1)N(C)c3ccc(cc3)I)CCCC2 27a_100000743151_100011467566 [1,0,0,0,0,1|1,0,0]=3 589 B22R3.15263756 Cc1nc2c(c(n1)N(C)c3ccc(cc3)O)CCCC2 27a_100000182112_100011467566 [1,0,0,0,0,1|0,0,0]=2 590 B22R3.15281361 Cc1ccc(cc1)C(C)Sc2nc(nc3c2CCC3)C 62a_100011240833_100011261388 [1,0,0,0,0,1|1,0,0]=3 591 B22R3.15281361 Cc1ccc(cc1)C(C)Sc2nc(nc3c2CCC3)C 62a_100011261388_100011240833 [1,0,0,0,0,1|1,0,0]=3 592 B22R3.15281361 Cc1ccc(cc1)[C@@H](C)Nc2nc(nc3c2CCC3)C 27a_100016988085_100011240833 [1,0,0,0,0,1|1,0,0]=3 593 B22R3.15281361 Cc1ccc(cn1)C(C)Nc2nc(nc3c2CCC3)C 27a_100011815741_100011240833 [1,0,0,0,0,1|2,0,0]=4 594 B22R3.15281361 Cc1nc2c(c(n1)N[C@@H](C)c3ccc(cc3)F)CCC2 27a_100025705893_100011240833 [1,0,0,0,0,1|2,0,0]=4 595 B22R3.15281361 Cc1nc2c(c(n1)N[C@@H](C)c3ccc(cc3)I)CCC2 27a_100000753911_100011240833 [1,0,0,0,0,1|2,0,0]=4 596 B22R3.15281361 Cc1nc2c(c(n1)N[C@@H](C)c3ccc(cc3)O)CCC2 27a_100161106496_100011240833 [1,0,0,0,0,1|1,0,0]=3 597 B22R3.15281361 Cc1nc2c(c(n1)N[C@H](C)c3ccc(cc3)Br)CCC2 27a_100000720352_100011240833 [1,0,0,0,0,1|2,0,0]=4 598 B22R3.15281361 Cc1nc2c(c(n1)N[C@H](C)c3ccc(cc3)Cl)CCC2 27a_100015205461_100011240833 [1,0,0,0,0,1|2,0,0]=4 599 B22R3.15281361 Cc1nc2c(c(n1)SC(C)c3ccc(cc3)Br)CCC2 62a_100000755118_100011240833 [1,0,0,0,0,1|2,0,0]=4 600 B22R3.15281361 Cc1nc2c(c(n1)SC(C)c3ccc(cc3)Br)CCC2 62a_100011240833_100000755118 [1,0,0,0,0,1|2,0,0]=4 601 B22R3.15281361 Cc1nc2c(c(n1)SC(C)c3ccc(cc3)Cl)CCC2 62a_100000684792_100011240833 [1,0,0,0,0,1|2,0,0]=4 602 B22R3.15281361 Cc1nc2c(c(n1)SC(C)c3ccc(cc3)Cl)CCC2 62a_100011240833_100000684792 [1,0,0,0,0,1|2,0,0]=4 603 B22R3.15281361 Cc1nc2c(c(n1)SC(C)c3ccc(cc3)F)CCC2 62a_100000743420_100011240833 [1,0,0,0,0,1|2,0,0]=4 604 B22R3.15281361 Cc1nc2c(c(n1)SC(C)c3ccc(cc3)F)CCC2 62a_100011240833_100000743420 [1,0,0,0,0,1|2,0,0]=4 605 B22R3.15325349 Cc1ccc(cc1)CN(C)c2nc(nc3c2CCC3)C 27a_100000744650_100011240833 [1,0,0,0,0,1|0,0,0]=2 606 B22R3.15325349 Cc1ccc(cn1)CN(C)c2nc(nc3c2CCC3)C 27a_106623407658_100011240833 [1,0,0,0,0,1|1,0,0]=3 607 B22R3.15325349 Cc1ccc(nc1)CN(C)c2nc(nc3c2CCC3)C 27a_200000717808_100011240833 [1,0,0,0,0,1|1,0,0]=3 608 B22R3.15325349 Cc1nc2c(c(n1)N(C)Cc3ccc(cc3)Br)CCC2 27a_100000180866_100011240833 [1,0,0,0,0,1|1,0,0]=3 609 B22R3.15325349 Cc1nc2c(c(n1)N(C)Cc3ccc(cc3)Cl)CCC2 27a_100000184517_100011240833 [1,0,0,0,0,1|1,0,0]=3 610 B22R3.15325349 Cc1nc2c(c(n1)N(C)Cc3ccc(cc3)F)CCC2 27a_100000184576_100011240833 [1,0,0,0,0,1|1,0,0]=3 611 B22R3.15325349 Cc1nc2c(c(n1)N(C)Cc3ccc(cc3)O)CCC2 27a_100000207500_100011240833 [1,0,0,0,0,1|0,0,0]=2 612 B22R3.15325349 Cc1nc2c(c(n1)N(C)Cc3ccc(nc3)Cl)CCC2 27a_100000026953_100011240833 [1,0,0,0,0,1|2,0,0]=4 613 B22R3.120414705 COc1cccc(c1)N(C)c2nc(nc3c2CCC3)C 27a_100000219725_100011240833 [0,0,0,0,1,1|0,0,0]=2 614 B22R3.120414705 CSc1cccc(c1)N(C)c2nc(nc3c2CCC3)C 27a_100020672454_100011240833 [0,0,0,0,1,1|0,1,0]=3 615 B22R3.120414705 Cc1nc2c(c(n1)N(C)c3cccc(c3)C#N)CCC2 27a_100000221292_100011240833 [0,0,0,0,1,1|2,0,0]=4 616 B24R3.13176061 CCc1ccc(cc1)CN(C)c2nc(nc3c2CCCC3)C 27a_100000683253_100011467566 [0,0,0,0,0,2|1,0,0]=3 617 B24R3.13176061 COc1ccc(cc1)CN(C)c2nc(nc3c2CCCC3)C 27a_100000184145_100011467566 [0,0,0,0,0,2|0,0,0]=2 618 B24R3.13176061 CSc1ccc(cc1)CN(C)c2nc(nc3c2CCCC3)C 27a_102495365258_100011467566 [0,0,0,0,0,2|0,1,0]=3 619 B24R3.13176061 Cc1nc2c(c(n1)N(C)Cc3ccc(cc3)C#N)CCCC2 27a_100000217971_100011467566 [0,0,0,0,0,2|2,0,0]=4 620 B24R3.13228761 COc1ccc(cc1)CCN(C)c2nc(nc3c2CCC3)C 27a_100000225672_100011240833 [0,0,0,0,0,2|0,0,0]=2 621 B24R3.2536348 CCc1ccc(cc1)C(C)Nc2nc(nc3c2CCCC3)C 27a_100015186439_100011467566 [0,0,0,0,0,2|2,0,0]=4 622 B24R3.2536348 COc1ccc(cc1)[C@@H](C)Nc2nc(nc3c2CCCC3)C 27a_100011830352_100011467566 [0,0,0,0,0,2|1,0,0]=3 623 B24R3.2536348 CSc1ccc(cc1)C(C)Nc2nc(nc3c2CCCC3)C 27a_100000738722_100011467566 [0,0,0,0,0,2|1,1,0]=4 624 B24R3.13384799 COc1ccc(cc1)C(=O)CSc2nc(nc3c2CCC3)C 62a_100000212054_100011240833 [0,0,0,0,0,2|2,0,0]=4 625 B24R3.13384799 COc1ccc(cc1)C(=O)CSc2nc(nc3c2CCC3)C 62a_100011240833_100000212054 [0,0,0,0,0,2|2,0,0]=4 626 B24R3.13384799 COc1ccc(cc1)C(O)CNc2nc(nc3c2CCC3)C 27a_100000738651_100011240833 [0,0,0,0,0,2|2,0,0]=4