0 B20R3.244 C=Cc1ccc(cc1)n2ncc3c2nc[nH]c3=O 271570a_100011290941_200000637696 [0,0,0,0,0,0|2,0,2]=4 1 B20R3.244 C=Cc1ccc(cc1)n2ncc3c2ncnc3N 271570a_100011290941_200000516110 [0,0,0,0,0,0|1,0,1]=2 2 B20R3.244 CNc1ccc(cc1)n2ncc3c2nc[nH]c3=O 27a_100102657272_200000637696 [0,0,0,0,0,0|3,0,1]=4 3 B20R3.244 CNc1ccc(cc1)n2ncc3c2ncnc3N 27a_100102657272_200000516110 [0,0,0,0,0,0|2,0,0]=2 4 B20R3.244 CSc1ccc(cc1)n2ncc3c2ncnc3N 62a_200000516110_200000210301 [0,0,0,0,0,0|2,0,0]=2 5 B20R3.244 N#Cc1ccc(cc1)c2ccc3n2ncnc3N 271570a_100000034517_100010200936 [0,0,0,0,0,0|3,0,0]=3 6 B20R3.244 N#Cc1ccc(cc1)c2cnc3n2ncnc3N 271570a_100000034517_100010391501 [0,0,0,0,0,0|4,0,0]=4 7 B20R3.244 N#Cc1ccc(cc1)c2csc3c2ncnc3N 271570a_100000034517_100010254332 [0,0,0,0,0,0|3,0,0]=3 8 B20R3.244 N#Cc1ccc(cc1)c2csc3c2ncnc3O 271570a_100000034517_100010075196 [0,0,0,0,0,0|4,0,0]=4 9 B20R3.244 N#Cc1ccc(cc1)c2n[nH]c3c2cccc3N 271570a_100000034517_100009888981 [0,0,0,0,0,0|4,0,0]=4 10 B20R3.244 N#Cc1ccc(cn1)c2ccc3n2ncnc3N 271570a_100009888933_100010200936 [0,0,0,0,0,0|4,0,0]=4 11 B20R3.244 N#Cc1ccc(cn1)c2csc3c2ncnc3N 271570a_100009888933_100010254332 [0,0,0,0,0,0|4,0,0]=4 12 B20R3.244 [13CH3]Sc1ccc(cc1)n2ncc3c2ncnc3N 62a_200000516110_200025704644 [0,0,0,0,0,0|2,0,0]=2 13 B19R3.5 N#Cc1ccc(cc1)c2n[nH]c3c2ccnc3 271570a_100000034517_100010244369 [1,0,0,0,0,0|3,0,0]=4 14 B19R3.5 N#Cc1ccc(cc1)c2n[nH]c3c2nccc3 271570a_100000034517_100009817118 [1,0,0,0,0,0|3,0,0]=4 15 B19R3.3863 Nc1ncnc2c1cnn2c3ccc(cc3)O 271570a_203496583355_200000516110 [1,0,0,0,0,0|1,0,0]=2 16 B19R3.3863 O=c1[nH]cnc2c1cnn2c3ccc(cc3)O 271570a_203496583355_200000637696 [1,0,0,0,0,0|2,0,1]=4 17 B19R3.3863 Oc1ncnc2c1cnn2c3ccc(cc3)F 271570a_203496583355_100000274461 [1,0,0,0,0,0|2,0,0]=3 18 B21R3.2901 C=C=Cc1ccc(cc1)n2ncc3c2ncnc3N 271570a_100015277604_200000516110 [0,1,0,0,0,0|1,0,1]=3 19 B21R3.2901 CC=Cc1ccc(cc1)n2ncc3c2ncnc3N 271570a_100016259895_200000516110 [0,1,0,0,0,0|1,0,1]=3 20 B21R3.2901 CCNc1ccc(cc1)n2ncc3c2ncnc3N 27a_100015525214_200000516110 [0,1,0,0,0,0|1,0,1]=3 21 B21R3.2901 CCSc1ccc(cc1)n2ncc3c2ncnc3N 62a_200000516110_100000210202 [0,1,0,0,0,0|1,0,1]=3 22 B21R3.2901 N#CCc1ccc(cc1)c2ccc3n2ncnc3N 271570a_100000040492_100010200936 [0,1,0,0,0,0|3,0,0]=4 23 B21R3.2901 N#CCc1ccc(cc1)c2csc3c2ncnc3N 271570a_100000040492_100010254332 [0,1,0,0,0,0|3,0,0]=4 24 B21R3.2901 Nc1ncnc2c1cnn2c3ccc(cc3)SCF 62a_200000516110_100015361967 [0,1,0,0,0,0|1,0,1]=3 25 B21R3.10198 Cn1nc(c2c1c(ncn2)O)c3ccc(cc3)C#N 271570a_100000034517_200102955134 [0,1,0,0,0,0|3,0,0]=4 26 B21R3.50387 Cc1cc(ccc1C#N)c2ccc3n2ncnc3N 271570a_100010232474_100010200936 [0,1,0,0,0,0|3,0,0]=4 27 B21R3.50387 Cc1cc(ccc1C#N)c2csc3c2ncnc3N 271570a_100010232474_100010254332 [0,1,0,0,0,0|3,0,0]=4 28 B21R3.50387 N#Cc1ccc(cc1Cl)c2ccc3n2ncnc3N 271570a_100000718365_100010200936 [0,1,0,0,0,0|3,0,0]=4 29 B21R3.50387 N#Cc1ccc(cc1Cl)c2csc3c2ncnc3N 271570a_100000718365_100010254332 [0,1,0,0,0,0|3,0,0]=4 30 B21R3.50387 N#Cc1ccc(cc1F)c2ccc3n2ncnc3N 271570a_100010083002_100010200936 [0,1,0,0,0,0|3,0,0]=4 31 B21R3.50387 N#Cc1ccc(cc1F)c2csc3c2ncnc3N 271570a_100010083002_100010254332 [0,1,0,0,0,0|3,0,0]=4 32 B21R3.50387 N#Cc1ccc(cc1O)c2ccc3n2ncnc3N 271570a_200010081601_100010200936 [0,1,0,0,0,0|3,0,0]=4 33 B21R3.50387 N#Cc1ccc(cc1O)c2csc3c2ncnc3N 271570a_200010081601_100010254332 [0,1,0,0,0,0|3,0,0]=4 34 B21R3.393266 C=C(C)c1ccc(cc1)n2ncc3c2ncnc3N 271570a_100000694244_200000516110 [0,1,0,0,0,0|1,0,1]=3 35 B21R3.393266 CN(C)c1ccc(cc1)n2ncc3c2ncnc3N 27a_100102631434_200000516110 [0,1,0,0,0,0|2,0,0]=3 36 B21R3.857699 Cc1cc(ccc1c2ccc3n2ncnc3N)C#N 271570a_100010042539_100010200936 [0,1,0,0,0,0|3,0,0]=4 37 B21R3.857699 Cc1cc(ccc1c2csc3c2ncnc3N)C#N 271570a_100010042539_100010254332 [0,1,0,0,0,0|3,0,0]=4 38 B21R3.857699 N#Cc1ccc(c(c1)Cl)c2ccc3n2ncnc3N 271570a_100010128433_100010200936 [0,1,0,0,0,0|3,0,0]=4 39 B21R3.857699 N#Cc1ccc(c(c1)Cl)c2csc3c2ncnc3N 271570a_100010128433_100010254332 [0,1,0,0,0,0|3,0,0]=4 40 B21R3.857699 N#Cc1ccc(c(c1)F)c2ccc3n2ncnc3N 271570a_100000070581_100010200936 [0,1,0,0,0,0|3,0,0]=4 41 B21R3.857699 N#Cc1ccc(c(c1)F)c2csc3c2ncnc3N 271570a_100000070581_100010254332 [0,1,0,0,0,0|3,0,0]=4 42 B21R3.857699 N#Cc1ccc(c(c1)N)c2ccc3n2ncnc3N 271570a_100016987698_100010200936 [0,1,0,0,0,0|3,0,0]=4 43 B21R3.857699 N#Cc1ccc(c(c1)N)c2csc3c2ncnc3N 271570a_100016987698_100010254332 [0,1,0,0,0,0|3,0,0]=4 44 B19R2.4905 C#Cc1ccc(cc1)Nc2ncnc(c2C#N)N 27a_100011215031_100000086035 [0,0,1,0,0,0|1,0,2]=4 45 B19R2.4905 C#Cc1ccc(cc1)Nc2ncnc(c2OC)N 27a_100011215031_100011998528 [0,0,1,0,0,0|3,0,0]=4 46 B19R2.4905 COc1c(ncnc1Sc2ccc(cc2)C#N)N 62a_100011998528_100000184291 [0,0,1,0,0,0|3,0,0]=4 47 B19R2.4905 N#Cc1ccc(cc1)Sc2ccnc(c2C=O)N 62a_100009843235_100000184291 [0,0,1,0,0,0|3,0,0]=4 48 B19R2.4905 N#Cc1ccc(cc1)Sc2nccc(c2C=O)N 62a_100000050385_100000184291 [0,0,1,0,0,0|3,0,0]=4 49 B19R2.4905 N#Cc1ccc(cc1)Sc2ncnc(c2C=O)N 62a_100000765549_100000184291 [0,0,1,0,0,0|2,0,0]=3 50 B19R2.4905 N#Cc1ccc(cn1)Sc2ncnc(c2C=O)N 62a_100000765549_100000760455 [0,0,1,0,0,0|3,0,0]=4 51 B19R2.4905 N#Cc1ccc(nc1)Sc2ncnc(c2C=O)N 62a_100000765549_100000241038 [0,0,1,0,0,0|3,0,0]=4 52 B19R2.4951 Cc1ccccc1C=NNc2ccc(cc2)C#N 4a_100000739705_100000211143 [0,0,1,0,0,0|3,0,0]=4 53 B19R2.4951 Cc1ccncc1C=NNc2ccc(cc2)C#N 4a_100000739705_100000685662 [0,0,1,0,0,0|2,0,0]=3 54 B19R2.4951 Cc1ccncc1C=NNc2ccc(cn2)C#N 4a_100011198082_100000685662 [0,0,1,0,0,0|3,0,0]=4 55 B19R2.4951 Cc1ccncc1C=NNc2ccc(nc2)C#N 4a_200012020705_100000685662 [0,0,1,0,0,0|3,0,0]=4 56 B19R2.4951 Cc1ncccc1C=NNc2ccc(cc2)C#N 4a_100000739705_100000751968 [0,0,1,0,0,0|2,0,0]=3 57 B19R2.4951 Cc1ncccc1C=NNc2ccc(cn2)C#N 4a_100011198082_100000751968 [0,0,1,0,0,0|3,0,0]=4 58 B19R2.4951 Cc1ncccc1C=NNc2ccc(nc2)C#N 4a_200012020705_100000751968 [0,0,1,0,0,0|3,0,0]=4 59 B19R2.4951 Cc1nccnc1C=NNc2ccc(cc2)C#N 4a_100000739705_100000050726 [0,0,1,0,0,0|3,0,0]=4 60 B19R2.4951 N#Cc1ccc(cc1)CCOc2cncnc2N 7a_100000112926_100012161189 [0,0,1,0,0,0|3,0,0]=4 61 B19R2.4951 N#Cc1ccc(cc1)CCSc2cncnc2N 62a_100011996079_100012161189 [0,0,1,0,0,0|3,0,0]=4 62 B19R2.4951 N#Cc1ccc(cc1)NN=Cc2c[nH]ccc2=O 4a_100000739705_100012001694 [0,0,1,0,0,0|2,0,1]=4 63 B19R2.4951 N#Cc1ccc(cc1)NN=Cc2ccccc2Br 4a_100000739705_100000211189 [0,0,1,0,0,0|3,0,0]=4 64 B19R2.4951 N#Cc1ccc(cc1)NN=Cc2ccccc2Cl 4a_100000739705_100000210073 [0,0,1,0,0,0|3,0,0]=4 65 B19R2.4951 N#Cc1ccc(cc1)NN=Cc2ccccc2F 4a_100000739705_100000210811 [0,0,1,0,0,0|3,0,0]=4 66 B19R2.4951 N#Cc1ccc(cc1)NN=Cc2ccccc2I 4a_100000739705_100000010305 [0,0,1,0,0,0|3,0,0]=4 67 B19R2.4951 N#Cc1ccc(cc1)NN=Cc2ccccc2O 4a_100000739705_100000185834 [0,0,1,0,0,0|3,0,0]=4 68 B19R2.4951 N#Cc1ccc(cc1)NN=Cc2cccnc2Br 4a_100000739705_100009816751 [0,0,1,0,0,0|2,0,0]=3 69 B19R2.4951 N#Cc1ccc(cc1)NN=Cc2cccnc2Cl 4a_100000739705_100000749341 [0,0,1,0,0,0|2,0,0]=3 70 B19R2.4951 N#Cc1ccc(cc1)NN=Cc2cccnc2F 4a_100000739705_100000067307 [0,0,1,0,0,0|2,0,0]=3 71 B19R2.4951 N#Cc1ccc(cc1)NN=Cc2cccnc2O 4a_100000739705_100011998315 [0,0,1,0,0,0|2,0,0]=3 72 B19R2.4951 N#Cc1ccc(cc1)NN=Cc2cnccc2Br 4a_100000739705_100009816821 [0,0,1,0,0,0|2,0,0]=3 73 B19R2.4951 N#Cc1ccc(cc1)NN=Cc2cnccc2Cl 4a_100000739705_100000050567 [0,0,1,0,0,0|2,0,0]=3 74 B19R2.4951 N#Cc1ccc(cc1)NN=Cc2nccnc2Cl 4a_100000739705_100000051000 [0,0,1,0,0,0|3,0,0]=4 75 B19R2.4951 N#Cc1ccc(cn1)NN=Cc2cccnc2Br 4a_200012020705_100009816751 [0,0,1,0,0,0|3,0,0]=4 76 B19R2.4951 N#Cc1ccc(cn1)NN=Cc2cccnc2Cl 4a_200012020705_100000749341 [0,0,1,0,0,0|3,0,0]=4 77 B19R2.4951 N#Cc1ccc(cn1)NN=Cc2cccnc2F 4a_200012020705_100000067307 [0,0,1,0,0,0|3,0,0]=4 78 B19R2.4951 N#Cc1ccc(cn1)NN=Cc2cccnc2O 4a_200012020705_100011998315 [0,0,1,0,0,0|3,0,0]=4 79 B19R2.4951 N#Cc1ccc(cn1)NN=Cc2cnccc2Br 4a_200012020705_100009816821 [0,0,1,0,0,0|3,0,0]=4 80 B19R2.4951 N#Cc1ccc(cn1)NN=Cc2cnccc2Cl 4a_200012020705_100000050567 [0,0,1,0,0,0|3,0,0]=4 81 B19R2.4951 N#Cc1ccc(nc1)NN=Cc2cccnc2Br 4a_100011198082_100009816751 [0,0,1,0,0,0|3,0,0]=4 82 B19R2.4951 N#Cc1ccc(nc1)NN=Cc2cccnc2Cl 4a_100011198082_100000749341 [0,0,1,0,0,0|3,0,0]=4 83 B19R2.4951 N#Cc1ccc(nc1)NN=Cc2cccnc2F 4a_100011198082_100000067307 [0,0,1,0,0,0|3,0,0]=4 84 B19R2.4951 N#Cc1ccc(nc1)NN=Cc2cccnc2O 4a_100011198082_100011998315 [0,0,1,0,0,0|3,0,0]=4 85 B19R2.4951 N#Cc1ccc(nc1)NN=Cc2cnccc2Br 4a_100011198082_100009816821 [0,0,1,0,0,0|3,0,0]=4 86 B19R2.4951 N#Cc1ccc(nc1)NN=Cc2cnccc2Cl 4a_100011198082_100000050567 [0,0,1,0,0,0|3,0,0]=4 87 B21R3.9424 N#Cc1ccc(cc1)Sc2ccc3n2ncnc3N 62a_100010200936_100000184291 [0,0,0,0,0,1|3,0,0]=4 88 B21R3.9424 N#Cc1ccc(cc1)Sc2csc3c2ncnc3N 62a_100010254332_100000184291 [0,0,0,0,0,1|3,0,0]=4 89 B21R3.10145 N#Cc1ccc(cc1)c2cccc3c2ccnc3N 271570a_100000034517_103549770558 [0,0,0,0,0,1|3,0,0]=4 90 B21R3.10145 N#Cc1ccc(cc1)c2cccc3c2nccc3N 271570a_100000034517_100011620713 [0,0,0,0,0,1|3,0,0]=4 91 B21R3.10145 N#Cc1ccc(cc1)c2cccc3c2ncnc3N 271570a_100000034517_100010199759 [0,0,0,0,0,1|2,0,0]=3 92 B21R3.10145 N#Cc1ccc(cc1)c2cccc3c2ncnc3O 271570a_100000034517_100010201916 [0,0,0,0,0,1|3,0,0]=4 93 B21R3.10145 N#Cc1ccc(cc1)c2cncc3c2nc[nH]c3=O 271570a_100000034517_200010117198 [0,0,0,0,0,1|2,0,1]=4 94 B21R3.10145 N#Cc1ccc(cc1)c2nccc3c2cccc3N 271570a_100000034517_100000070072 [0,0,0,0,0,1|3,0,0]=4 95 B21R3.10145 N#Cc1ccc(cn1)c2cccc3c2ncnc3N 271570a_100009888933_100010199759 [0,0,0,0,0,1|3,0,0]=4 96 B21R3.10820 N#Cc1ccc(cc1)c2cc3ccnc(c3cn2)O 271570a_100000034517_100020669822 [0,0,0,0,0,1|3,0,0]=4 97 B21R3.10820 N#Cc1ccc(cc1)c2ccc3c(ccnc3c2)N 271570a_100000034517_200009816820 [0,0,0,0,0,1|3,0,0]=4 98 B21R3.10820 N#Cc1ccc(cc1)c2ccc3c(nccc3c2)N 271570a_100000034517_100000732483 [0,0,0,0,0,1|3,0,0]=4 99 B21R3.10820 N#Cc1ccc(cc1)c2ccc3c(ncnc3c2)N 271570a_100000034517_100010199758 [0,0,0,0,0,1|2,0,0]=3 100 B21R3.10820 N#Cc1ccc(cc1)c2ccc3c(ncnc3n2)O 271570a_100000034517_100000092995 [0,0,0,0,0,1|3,0,0]=4 101 B21R3.10820 N#Cc1ccc(cn1)c2ccc3c(ncnc3c2)N 271570a_100009888933_100010199758 [0,0,0,0,0,1|3,0,0]=4 102 B18R2.4274 C#Cc1ccc(cc1)Nc2ncnc(c2C)N 27a_100011215031_100011913465 [1,0,1,0,0,0|1,0,1]=4 103 B18R2.4274 C#Cc1ccc(cc1)Nc2ncnc(c2F)N 27a_100011215031_100000126652 [1,0,1,0,0,0|2,0,0]=4 104 B18R2.4274 Cc1c(ncnc1Sc2ccc(cc2)C#N)N 62a_100011913465_100000184291 [1,0,1,0,0,0|1,0,1]=4 105 B18R2.4274 N#Cc1ccc(cc1)Sc2ncnc(c2F)N 62a_100000126652_100000184291 [1,0,1,0,0,0|2,0,0]=4 106 B18R2.4274 N#Cc1ccc(cc1)Sc2ncnc(c2N)N 62a_100000766367_100000184291 [1,0,1,0,0,0|1,0,1]=4 107 B18R2.61 CCc1ccc(cc1)NN=Cc2cncnc2 4a_100015204395_100000749868 [1,0,1,0,0,0|1,0,1]=4 108 B18R2.61 COc1ccc(cc1)NN=Cc2cncnc2 4a_100000005221_100000749868 [1,0,1,0,0,0|2,0,0]=4 109 B18R2.61 CSc1ccc(cc1)NN=Cc2cncnc2 4a_100000006515_100000749868 [1,0,1,0,0,0|2,0,0]=4 110 B18R2.61 N#Cc1ccc(cc1)NN=Cc2ccccc2 4a_100000739705_100015611070 [1,0,1,0,0,0|2,0,0]=4 111 B18R2.61 N#Cc1ccc(cc1)NN=Cc2cccnc2 4a_100000739705_100000209961 [1,0,1,0,0,0|1,0,0]=3 112 B18R2.61 N#Cc1ccc(cc1)NN=Cc2ccnnc2 4a_100000739705_100011934578 [1,0,1,0,0,0|2,0,0]=4 113 B18R2.61 N#Cc1ccc(cc1)NN=Cc2cnccn2 4a_100000739705_100000749867 [1,0,1,0,0,0|2,0,0]=4 114 B18R2.61 N#Cc1ccc(cc1)NN=Cc2cncnc2 4a_100000739705_100000749868 [1,0,1,0,0,0|0,0,0]=2 115 B18R2.61 N#Cc1ccc(cn1)NN=Cc2cccnc2 4a_200012020705_100000209961 [1,0,1,0,0,0|2,0,0]=4 116 B18R2.61 N#Cc1ccc(cn1)NN=Cc2cncnc2 4a_200012020705_100000749868 [1,0,1,0,0,0|1,0,0]=3 117 B18R2.61 N#Cc1ccc(nc1)NN=Cc2cccnc2 4a_100011198082_100000209961 [1,0,1,0,0,0|2,0,0]=4 118 B18R2.61 N#Cc1ccc(nc1)NN=Cc2cncnc2 4a_100011198082_100000749868 [1,0,1,0,0,0|1,0,0]=3 119 B20R2.26206 COc1c(ncnc1Nc2ccc(c(c2)Br)C#N)N 27a_100000689153_100011998528 [0,1,1,0,0,0|2,0,0]=4 120 B20R2.26206 COc1c(ncnc1Nc2ccc(c(c2)C)C#N)N 27a_100011999795_100011998528 [0,1,1,0,0,0|2,0,0]=4 121 B20R2.26206 COc1c(ncnc1Nc2ccc(c(c2)Cl)C#N)N 27a_100000211542_100011998528 [0,1,1,0,0,0|2,0,0]=4 122 B20R2.26206 COc1c(ncnc1Nc2ccc(c(c2)F)C#N)N 27a_100000765089_100011998528 [0,1,1,0,0,0|2,0,0]=4 123 B20R2.26206 COc1c(ncnc1Nc2ccc(c(c2)O)C#N)N 27a_100000094571_100011998528 [0,1,1,0,0,0|2,0,0]=4 124 B20R2.26206 Cc1cc(ccc1C#N)Nc2ncnc(c2C#N)N 27a_100011999795_100000086035 [0,1,1,0,0,0|0,0,2]=4 125 B20R2.26206 Cc1cc(ccc1C#N)Sc2ncnc(c2C=O)N 62a_100000765549_100000687762 [0,1,1,0,0,0|2,0,0]=4 126 B20R2.26206 N#Cc1ccc(cc1Br)Nc2ncnc(c2C#N)N 27a_100000689153_100000086035 [0,1,1,0,0,0|0,0,2]=4 127 B20R2.26206 N#Cc1ccc(cc1Br)Sc2ncnc(c2C=O)N 62a_100000765549_100012349582 [0,1,1,0,0,0|2,0,0]=4 128 B20R2.26206 N#Cc1ccc(cc1Br)Sc2ncnc(c2C=O)N 62a_100012349582_100000765549 [0,1,1,0,0,0|2,0,0]=4 129 B20R2.26206 N#Cc1ccc(cc1Cl)Nc2ncnc(c2C#N)N 27a_100000211542_100000086035 [0,1,1,0,0,0|0,0,2]=4 130 B20R2.26206 N#Cc1ccc(cc1Cl)Sc2ncnc(c2C=O)N 62a_100000765549_100012349662 [0,1,1,0,0,0|2,0,0]=4 131 B20R2.26206 N#Cc1ccc(cc1F)Nc2ncnc(c2C#N)N 27a_100000765089_100000086035 [0,1,1,0,0,0|0,0,2]=4 132 B20R2.26206 N#Cc1ccc(cc1F)Sc2ncnc(c2C=O)N 62a_100000765549_100000037869 [0,1,1,0,0,0|2,0,0]=4 133 B20R2.26206 N#Cc1ccc(cc1N)Sc2ncnc(c2C=O)N 62a_100000765549_100000699244 [0,1,1,0,0,0|2,0,0]=4 134 B20R2.26206 N#Cc1ccc(cc1O)Nc2ncnc(c2C#N)N 27a_100000094571_100000086035 [0,1,1,0,0,0|0,0,2]=4 135 B20R2.26206 N#Cc1ccc(cc1O)Sc2ncnc(c2C=O)N 62a_100000765549_100011934713 [0,1,1,0,0,0|2,0,0]=4 136 B20R2.70501 COc1c(ncnc1Nc2ccc(cc2)CC#N)N 27a_100000198999_100011998528 [0,1,1,0,0,0|2,0,0]=4 137 B20R2.70501 N#CCc1ccc(cc1)Nc2ncnc(c2C#N)N 27a_100000198999_100000086035 [0,1,1,0,0,0|0,0,2]=4 138 B20R2.70501 N#CCc1ccc(cc1)Sc2ncnc(c2C=O)N 62a_100000765549_100011217881 [0,1,1,0,0,0|2,0,0]=4 139 B20R2.70501 N#CCc1ccc(cc1)Sc2ncnc(c2C=O)N 62a_100011217881_100000765549 [0,1,1,0,0,0|2,0,0]=4 140 B20R2.70501 N#CNc1ccc(cc1)Sc2ncnc(c2C=O)N 62a_100000765549_100011685341 [0,1,1,0,0,0|2,0,0]=4 141 B20R2.87828 C#Cc1ccc(cc1)Nc2ncnc(c2C=O)NC 27a_100011215031_200012279091 [0,1,1,0,0,0|2,0,0]=4 142 B20R2.309280 Cc1cc(ccc1Sc2ncnc(c2C=O)N)C#N 62a_100000765549_100000212329 [0,1,1,0,0,0|2,0,0]=4 143 B20R2.309280 N#Cc1ccc(c(c1)Br)Sc2ncnc(c2C=O)N 62a_100000765549_100012356348 [0,1,1,0,0,0|2,0,0]=4 144 B20R2.309280 N#Cc1ccc(c(c1)Cl)Sc2ncnc(c2C=O)N 62a_100000765549_100012349663 [0,1,1,0,0,0|2,0,0]=4 145 B20R2.309280 N#Cc1ccc(c(c1)F)Sc2ncnc(c2C=O)N 62a_100000765549_100000050172 [0,1,1,0,0,0|2,0,0]=4 146 B20R2.309280 N#Cc1ccc(c(c1)N)Sc2ncnc(c2C=O)N 62a_100000765549_100012001879 [0,1,1,0,0,0|2,0,0]=4 147 B20R2.309280 N#Cc1ccc(c(c1)O)Sc2ncnc(c2C=O)N 62a_100000765549_100009877741 [0,1,1,0,0,0|2,0,0]=4 148 B20R2.5522 Cc1cc(c(cn1)C=NNc2ccc(cc2)C#N)C 4a_100000739705_200009869383 [0,1,1,0,0,0|2,0,0]=4 149 B20R2.5522 Cc1cc(ncc1C=NNc2ccc(cc2)C#N)Br 4a_100000739705_200010173576 [0,1,1,0,0,0|2,0,0]=4 150 B20R2.5522 Cc1cc(ncc1C=NNc2ccc(cc2)C#N)Cl 4a_100000739705_100000085382 [0,1,1,0,0,0|2,0,0]=4 151 B20R2.5522 Cc1cc(ncc1C=NNc2ccc(cc2)C#N)F 4a_100000739705_100000111907 [0,1,1,0,0,0|2,0,0]=4 152 B20R2.5522 Cc1ccc(c(n1)Br)C=NNc2ccc(cc2)C#N 4a_100000739705_100010220537 [0,1,1,0,0,0|2,0,0]=4 153 B20R2.5522 Cc1ccc(c(n1)C)C=NNc2ccc(cc2)C#N 4a_100000739705_100011794427 [0,1,1,0,0,0|2,0,0]=4 154 B20R2.5522 Cc1ccc(c(n1)Cl)C=NNc2ccc(cc2)C#N 4a_100000739705_100000085379 [0,1,1,0,0,0|2,0,0]=4 155 B20R2.5522 Cc1nc(ccc1C=NNc2ccc(cc2)C#N)Br 4a_100000739705_200010173369 [0,1,1,0,0,0|2,0,0]=4 156 B20R2.5522 Cc1nc(ccc1C=NNc2ccc(cc2)C#N)Cl 4a_100000739705_100000050599 [0,1,1,0,0,0|2,0,0]=4 157 B20R2.5522 Cc1nc(ccc1C=NNc2ccc(cc2)C#N)F 4a_100000739705_100000081976 [0,1,1,0,0,0|2,0,0]=4 158 B20R2.5522 N#Cc1ccc(cc1)NN=Cc2ccc(nc2Br)Br 4a_100000739705_100010230907 [0,1,1,0,0,0|2,0,0]=4 159 B20R2.5522 N#Cc1ccc(cc1)NN=Cc2ccc(nc2Br)Cl 4a_100000739705_100010244182 [0,1,1,0,0,0|2,0,0]=4 160 B20R2.5522 N#Cc1ccc(cc1)NN=Cc2ccc(nc2Cl)Br 4a_100000739705_100010246195 [0,1,1,0,0,0|2,0,0]=4 161 B20R2.5522 N#Cc1ccc(cc1)NN=Cc2ccc(nc2Cl)F 4a_100000739705_100009846357 [0,1,1,0,0,0|2,0,0]=4 162 B20R2.5522 N#Cc1ccc(cc1)NN=Cc2ccc(nc2F)Br 4a_100000739705_100010064369 [0,1,1,0,0,0|2,0,0]=4 163 B20R2.5522 N#Cc1ccc(cc1)NN=Cc2ccc(nc2F)Cl 4a_100000739705_100009863712 [0,1,1,0,0,0|2,0,0]=4 164 B20R2.5522 N#Cc1ccc(cc1)NN=Cc2ccc(nc2F)F 4a_100000739705_100000051079 [0,1,1,0,0,0|2,0,0]=4 165 B20R2.5522 N#Cc1ccc(cc1)NN=Cc2cnc(cc2Br)Cl 4a_100000739705_100009892795 [0,1,1,0,0,0|2,0,0]=4 166 B20R2.5522 N#Cc1ccc(cc1)NN=Cc2cnc(cc2Cl)F 4a_100000739705_100009862493 [0,1,1,0,0,0|2,0,0]=4 167 B20R2.5525 Cc1cnc(c(c1)C=NNc2ccc(cc2)C#N)Cl 4a_100000739705_100000050350 [0,1,1,0,0,0|2,0,0]=4 168 B20R2.5525 Cc1cnc(c(c1)C=NNc2ccc(cc2)C#N)F 4a_100000739705_100009854360 [0,1,1,0,0,0|2,0,0]=4 169 B20R2.5525 Cc1ncc(cc1C=NNc2ccc(cc2)C#N)Cl 4a_100000739705_100000100030 [0,1,1,0,0,0|2,0,0]=4 170 B20R2.5525 N#Cc1ccc(cc1)NN=Cc2cc(cnc2Br)Br 4a_100000739705_100010177830 [0,1,1,0,0,0|2,0,0]=4 171 B20R2.5525 N#Cc1ccc(cc1)NN=Cc2cc(cnc2Br)Cl 4a_100000739705_100010064869 [0,1,1,0,0,0|2,0,0]=4 172 B20R2.5525 N#Cc1ccc(cc1)NN=Cc2cc(cnc2Cl)Br 4a_100000739705_100009816941 [0,1,1,0,0,0|2,0,0]=4 173 B20R2.5525 N#Cc1ccc(cc1)NN=Cc2cc(cnc2Cl)Cl 4a_100000739705_100000086932 [0,1,1,0,0,0|2,0,0]=4 174 B20R2.5525 N#Cc1ccc(cc1)NN=Cc2cc(cnc2Cl)F 4a_100000739705_100000079965 [0,1,1,0,0,0|2,0,0]=4 175 B20R2.5525 N#Cc1ccc(cc1)NN=Cc2cc(cnc2F)Br 4a_100000739705_100009814789 [0,1,1,0,0,0|2,0,0]=4 176 B20R2.5525 N#Cc1ccc(cc1)NN=Cc2cc(cnc2F)Cl 4a_100000739705_100000051024 [0,1,1,0,0,0|2,0,0]=4 177 B20R2.5525 N#Cc1ccc(cc1)NN=Cc2cc(cnc2O)Br 4a_100000739705_100010064889 [0,1,1,0,0,0|2,0,0]=4 178 B20R2.5536 Cc1c(cncc1C=NNc2ccc(cc2)C#N)Br 4a_100000739705_100010214934 [0,1,1,0,0,0|2,0,0]=4 179 B20R2.5536 N#Cc1ccc(cc1)NN=Cc2cncc(c2Cl)Br 4a_100000739705_100010173560 [0,1,1,0,0,0|2,0,0]=4 180 B20R2.5536 N#Cc1ccc(cc1)NN=Cc2cncc(c2Cl)Cl 4a_100000739705_100009852894 [0,1,1,0,0,0|2,0,0]=4 181 B20R2.5536 N#Cc1ccc(cc1)NN=Cc2cncc(c2O)Br 4a_100000739705_100010729654 [0,1,1,0,0,0|2,0,0]=4 182 B20R2.5736 CC(=NNc1ccc(cc1)C#N)c2cccnc2Br 4a_100000739705_100009816689 [0,1,1,0,0,0|2,0,0]=4 183 B20R2.5736 CC(=NNc1ccc(cc1)C#N)c2cccnc2C 4a_100000739705_100011995960 [0,1,1,0,0,0|2,0,0]=4 184 B20R2.5736 CC(=NNc1ccc(cc1)C#N)c2cccnc2Cl 4a_100000739705_100000753718 [0,1,1,0,0,0|2,0,0]=4 185 B20R2.5736 CC(=NNc1ccc(cc1)C#N)c2cccnc2F 4a_100000739705_100000068858 [0,1,1,0,0,0|2,0,0]=4 186 B20R2.5736 CC(=NNc1ccc(cc1)C#N)c2cccnc2O 4a_100000739705_100012024847 [0,1,1,0,0,0|2,0,0]=4 187 B20R2.5736 CC(=NNc1ccc(cc1)C#N)c2cnccc2C 4a_100000739705_100000693228 [0,1,1,0,0,0|2,0,0]=4 188 B20R2.5736 CC(=NNc1ccc(cc1)C#N)c2cnccc2Cl 4a_100000739705_100160469449 [0,1,1,0,0,0|2,0,0]=4 189 B20R2.6090 COc1ccncc1C=NNc2ccc(cc2)C#N 4a_100000739705_200011997045 [0,1,1,0,0,0|2,0,0]=4 190 B20R2.6090 COc1ncccc1C=NNc2ccc(cc2)C#N 4a_100000739705_100011290804 [0,1,1,0,0,0|2,0,0]=4 191 B20R2.6090 N#Cc1ccc(cc1)NN=Cc2cccnc2C#N 4a_100000739705_100011998148 [0,1,1,0,0,0|1,0,1]=4 192 B20R2.44708 Cc1ccncc1C=NNc2ccc(cc2Cl)C#N 4a_200011218998_100000685662 [0,1,1,0,0,0|2,0,0]=4 193 B20R2.44708 Cc1ncccc1C=NNc2ccc(cc2Cl)C#N 4a_200011218998_100000751968 [0,1,1,0,0,0|2,0,0]=4 194 B20R2.44708 N#Cc1ccc(c(c1)Cl)NN=Cc2cccnc2Br 4a_200011218998_100009816751 [0,1,1,0,0,0|2,0,0]=4 195 B20R2.44708 N#Cc1ccc(c(c1)Cl)NN=Cc2cccnc2Cl 4a_200011218998_100000749341 [0,1,1,0,0,0|2,0,0]=4 196 B20R2.44708 N#Cc1ccc(c(c1)Cl)NN=Cc2cccnc2F 4a_200011218998_100000067307 [0,1,1,0,0,0|2,0,0]=4 197 B20R2.44708 N#Cc1ccc(c(c1)Cl)NN=Cc2cccnc2O 4a_200011218998_100011998315 [0,1,1,0,0,0|2,0,0]=4 198 B20R2.44708 N#Cc1ccc(c(c1)Cl)NN=Cc2cnccc2Br 4a_200011218998_100009816821 [0,1,1,0,0,0|2,0,0]=4 199 B20R2.44708 N#Cc1ccc(c(c1)Cl)NN=Cc2cnccc2Cl 4a_200011218998_100000050567 [0,1,1,0,0,0|2,0,0]=4 200 B20R2.85811 Cc1ccnc(c1C=NNc2ccc(cc2)C#N)F 4a_100000739705_100000087869 [0,1,1,0,0,0|2,0,0]=4 201 B20R2.85811 N#Cc1ccc(cc1)NN=Cc2c(ccnc2Br)Br 4a_100000739705_100010230905 [0,1,1,0,0,0|2,0,0]=4 202 B20R2.85811 N#Cc1ccc(cc1)NN=Cc2c(ccnc2Br)Cl 4a_100000739705_100010128099 [0,1,1,0,0,0|2,0,0]=4 203 B20R2.85811 N#Cc1ccc(cc1)NN=Cc2c(ccnc2Br)O 4a_100000739705_200010729673 [0,1,1,0,0,0|2,0,0]=4 204 B20R2.85811 N#Cc1ccc(cc1)NN=Cc2c(ccnc2Cl)Br 4a_100000739705_100010233653 [0,1,1,0,0,0|2,0,0]=4 205 B20R2.85811 N#Cc1ccc(cc1)NN=Cc2c(ccnc2Cl)I 4a_100000739705_100000047006 [0,1,1,0,0,0|2,0,0]=4 206 B20R2.85811 N#Cc1ccc(cc1)NN=Cc2c(ccnc2F)Br 4a_100000739705_100010212082 [0,1,1,0,0,0|2,0,0]=4 207 B20R2.85811 N#Cc1ccc(cc1)NN=Cc2c(ccnc2F)Cl 4a_100000739705_100009877353 [0,1,1,0,0,0|2,0,0]=4 208 B20R2.85811 N#Cc1ccc(cc1)NN=Cc2c(ccnc2F)F 4a_100000739705_100009844675 [0,1,1,0,0,0|2,0,0]=4 209 B20R2.85811 N#Cc1ccc(cc1)NN=Cc2c(ccnc2F)I 4a_100000739705_100009828249 [0,1,1,0,0,0|2,0,0]=4 210 B20R2.85811 N#Cc1ccc(cc1)NN=Cc2c(ncnc2Br)Br 4a_100000739705_200015453624 [0,1,1,0,0,0|1,0,0]=3 211 B20R2.85811 N#Cc1ccc(cn1)NN=Cc2c(ncnc2Br)Br 4a_200012020705_200015453624 [0,1,1,0,0,0|2,0,0]=4 212 B20R2.85811 N#Cc1ccc(nc1)NN=Cc2c(ncnc2Br)Br 4a_100011198082_200015453624 [0,1,1,0,0,0|2,0,0]=4 213 B20R2.2387040 Cc1ccncc1C=NNc2ccc(c(c2)Br)C#N 4a_200012354828_100000685662 [0,1,1,0,0,0|2,0,0]=4 214 B20R2.2387040 Cc1ccncc1C=NNc2ccc(c(c2)Cl)C#N 4a_100000700970_100000685662 [0,1,1,0,0,0|2,0,0]=4 215 B20R2.2387040 Cc1ccncc1C=NNc2ccc(c(c2)F)C#N 4a_100000089633_100000685662 [0,1,1,0,0,0|2,0,0]=4 216 B20R2.2387040 Cc1ncccc1C=NNc2ccc(c(c2)Br)C#N 4a_200012354828_100000751968 [0,1,1,0,0,0|2,0,0]=4 217 B20R2.2387040 Cc1ncccc1C=NNc2ccc(c(c2)Cl)C#N 4a_100000700970_100000751968 [0,1,1,0,0,0|2,0,0]=4 218 B20R2.2387040 Cc1ncccc1C=NNc2ccc(c(c2)F)C#N 4a_100000089633_100000751968 [0,1,1,0,0,0|2,0,0]=4 219 B20R2.2387040 N#Cc1ccc(cc1Br)NN=Cc2cccnc2Br 4a_200012354828_100009816751 [0,1,1,0,0,0|2,0,0]=4 220 B20R2.2387040 N#Cc1ccc(cc1Br)NN=Cc2cccnc2Cl 4a_200012354828_100000749341 [0,1,1,0,0,0|2,0,0]=4 221 B20R2.2387040 N#Cc1ccc(cc1Br)NN=Cc2cccnc2F 4a_200012354828_100000067307 [0,1,1,0,0,0|2,0,0]=4 222 B20R2.2387040 N#Cc1ccc(cc1Br)NN=Cc2cccnc2O 4a_200012354828_100011998315 [0,1,1,0,0,0|2,0,0]=4 223 B20R2.2387040 N#Cc1ccc(cc1Br)NN=Cc2cnccc2Br 4a_200012354828_100009816821 [0,1,1,0,0,0|2,0,0]=4 224 B20R2.2387040 N#Cc1ccc(cc1Br)NN=Cc2cnccc2Cl 4a_200012354828_100000050567 [0,1,1,0,0,0|2,0,0]=4 225 B20R2.2387040 N#Cc1ccc(cc1Cl)NN=Cc2cccnc2Br 4a_100000700970_100009816751 [0,1,1,0,0,0|2,0,0]=4 226 B20R2.2387040 N#Cc1ccc(cc1Cl)NN=Cc2cccnc2Cl 4a_100000700970_100000749341 [0,1,1,0,0,0|2,0,0]=4 227 B20R2.2387040 N#Cc1ccc(cc1Cl)NN=Cc2cccnc2F 4a_100000700970_100000067307 [0,1,1,0,0,0|2,0,0]=4 228 B20R2.2387040 N#Cc1ccc(cc1Cl)NN=Cc2cccnc2O 4a_100000700970_100011998315 [0,1,1,0,0,0|2,0,0]=4 229 B20R2.2387040 N#Cc1ccc(cc1Cl)NN=Cc2cnccc2Br 4a_100000700970_100009816821 [0,1,1,0,0,0|2,0,0]=4 230 B20R2.2387040 N#Cc1ccc(cc1Cl)NN=Cc2cnccc2Cl 4a_100000700970_100000050567 [0,1,1,0,0,0|2,0,0]=4 231 B20R2.2387040 N#Cc1ccc(cc1F)NN=Cc2cccnc2Br 4a_100000089633_100009816751 [0,1,1,0,0,0|2,0,0]=4 232 B20R2.2387040 N#Cc1ccc(cc1F)NN=Cc2cccnc2Cl 4a_100000089633_100000749341 [0,1,1,0,0,0|2,0,0]=4 233 B20R2.2387040 N#Cc1ccc(cc1F)NN=Cc2cccnc2F 4a_100000089633_100000067307 [0,1,1,0,0,0|2,0,0]=4 234 B20R2.2387040 N#Cc1ccc(cc1F)NN=Cc2cccnc2O 4a_100000089633_100011998315 [0,1,1,0,0,0|2,0,0]=4 235 B20R2.2387040 N#Cc1ccc(cc1F)NN=Cc2cnccc2Br 4a_100000089633_100009816821 [0,1,1,0,0,0|2,0,0]=4 236 B20R2.2387040 N#Cc1ccc(cc1F)NN=Cc2cnccc2Cl 4a_100000089633_100000050567 [0,1,1,0,0,0|2,0,0]=4 237 B20R3.22107 C=Cc1ncnc2c1cnn2c3ccc(cc3)F 271570a_100011290941_100000274461 [1,1,0,0,0,0|2,0,0]=4 238 B20R3.22107 CNc1ncnc2c1cnn2c3ccc(cc3)F 27a_100102657272_100000274461 [1,1,0,0,0,0|1,0,0]=3 239 B20R3.22107 CSc1ncnc2c1cnn2c3ccc(cc3)F 62a_200000210301_100000274461 [1,1,0,0,0,0|2,0,0]=4 240 B20R3.22107 [13CH3]Sc1ncnc2c1cnn2c3ccc(cc3)F 62a_200025704644_100000274461 [1,1,0,0,0,0|2,0,0]=4 241 B22R3.134261 Cc1cc(ccc1c2cccc3c2ncnc3N)C#N 271570a_100010042539_100010199759 [0,1,0,0,0,1|2,0,0]=4 242 B22R3.134261 N#Cc1ccc(c(c1)Cl)c2cccc3c2ncnc3N 271570a_100010128433_100010199759 [0,1,0,0,0,1|2,0,0]=4 243 B22R3.134261 N#Cc1ccc(c(c1)F)c2cccc3c2ncnc3N 271570a_100000070581_100010199759 [0,1,0,0,0,1|2,0,0]=4 244 B22R3.134261 N#Cc1ccc(c(c1)N)c2cccc3c2ncnc3N 271570a_100016987698_100010199759 [0,1,0,0,0,1|2,0,0]=4 245 B22R3.233456 N#CCc1ccc(cc1)c2cccc3c2ncnc3N 271570a_100000040492_100010199759 [0,1,0,0,0,1|2,0,0]=4 246 B22R3.3710973 Cc1cc(ccc1C#N)c2cccc3c2ncnc3N 271570a_100010232474_100010199759 [0,1,0,0,0,1|2,0,0]=4 247 B22R3.3710973 N#Cc1ccc(cc1Cl)c2cccc3c2ncnc3N 271570a_100000718365_100010199759 [0,1,0,0,0,1|2,0,0]=4 248 B22R3.3710973 N#Cc1ccc(cc1F)c2cccc3c2ncnc3N 271570a_100010083002_100010199759 [0,1,0,0,0,1|2,0,0]=4 249 B22R3.3710973 N#Cc1ccc(cc1O)c2cccc3c2ncnc3N 271570a_200010081601_100010199759 [0,1,0,0,0,1|2,0,0]=4 250 B22R3.68710 N#CCc1ccc(cc1)c2ccc3c(ncnc3c2)N 271570a_100000040492_100010199758 [0,1,0,0,0,1|2,0,0]=4 251 B22R3.303788 N#Cc1ccc(cc1)c2ccc3c(nc(nc3c2)N)N 271570a_100000034517_100012355061 [0,1,0,0,0,1|2,0,0]=4 252 B22R3.1550433 Cc1cc(ccc1c2ccc3c(ncnc3c2)N)C#N 271570a_100010042539_100010199758 [0,1,0,0,0,1|2,0,0]=4 253 B22R3.1550433 N#Cc1ccc(c(c1)Cl)c2ccc3c(ncnc3c2)N 271570a_100010128433_100010199758 [0,1,0,0,0,1|2,0,0]=4 254 B22R3.1550433 N#Cc1ccc(c(c1)F)c2ccc3c(ncnc3c2)N 271570a_100000070581_100010199758 [0,1,0,0,0,1|2,0,0]=4 255 B22R3.1550433 N#Cc1ccc(c(c1)N)c2ccc3c(ncnc3c2)N 271570a_100016987698_100010199758 [0,1,0,0,0,1|2,0,0]=4 256 B22R3.3097934 Cc1cc(ccc1C#N)c2ccc3c(ncnc3c2)N 271570a_100010232474_100010199758 [0,1,0,0,0,1|2,0,0]=4 257 B22R3.3097934 N#Cc1ccc(cc1Cl)c2ccc3c(ncnc3c2)N 271570a_100000718365_100010199758 [0,1,0,0,0,1|2,0,0]=4 258 B22R3.3097934 N#Cc1ccc(cc1F)c2ccc3c(ncnc3c2)N 271570a_100010083002_100010199758 [0,1,0,0,0,1|2,0,0]=4 259 B22R3.3097934 N#Cc1ccc(cc1O)c2ccc3c(ncnc3c2)N 271570a_200010081601_100010199758 [0,1,0,0,0,1|2,0,0]=4 260 B22R3.10158 C#CCNc1ccc(cc1)n2ncc3c2ncnc3N 27a_100000212058_200000516110 [0,2,0,0,0,0|1,0,0]=3 261 B22R3.10158 C=CCNc1ccc(cc1)n2ncc3c2ncnc3N 27a_100020586998_200000516110 [0,2,0,0,0,0|1,0,1]=4 262 B22R3.10158 C=CCSc1ccc(cc1)n2ncc3c2ncnc3N 62a_200000516110_100000210623 [0,2,0,0,0,0|1,0,1]=4 263 B22R3.10158 CCCCc1ccc(cc1)n2ncc3c2ncnc3N 271570a_100020621405_200000516110 [0,2,0,0,0,0|1,0,1]=4 264 B22R3.10158 CCCSc1ccc(cc1)n2ncc3c2ncnc3N 62a_200000516110_100000210303 [0,2,0,0,0,0|1,0,1]=4 265 B22R3.10158 COCSc1ccc(cc1)n2ncc3c2ncnc3N 62a_200000516110_100000766300 [0,2,0,0,0,0|1,0,1]=4 266 B22R3.10158 CSCSc1ccc(cc1)n2ncc3c2ncnc3N 62a_200000516110_100011218213 [0,2,0,0,0,0|1,0,1]=4 267 B22R3.10158 N#CCSc1ccc(cc1)n2ncc3c2ncnc3N 62a_200000516110_100011215382 [0,2,0,0,0,0|0,0,0]=2 268 B22R3.10158 Nc1ncnc2c1cnn2c3ccc(cc3)NCCO 27a_100000210304_200000516110 [0,2,0,0,0,0|1,0,1]=4 269 B22R3.10158 Nc1ncnc2c1cnn2c3ccc(cc3)SCC=O 62a_200000516110_200015260668 [0,2,0,0,0,0|1,0,1]=4 270 B22R3.10158 Nc1ncnc2c1cnn2c3ccc(cc3)SCCF 62a_200000516110_100011217306 [0,2,0,0,0,0|1,0,1]=4 271 B22R3.10158 Nc1ncnc2c1cnn2c3ccc(cc3)SCCO 62a_200000516110_100000211926 [0,2,0,0,0,0|1,0,1]=4 272 B22R3.601384 CC(=Cc1ccc(cc1)n2ncc3c2ncnc3N)C 271570a_100102525489_200000516110 [0,2,0,0,0,0|1,0,1]=4 273 B22R3.601384 CC(C)Nc1ccc(cc1)n2ncc3c2ncnc3N 27a_100138425928_200000516110 [0,2,0,0,0,0|1,0,1]=4 274 B22R3.601384 CC(C)Sc1ccc(cc1)n2ncc3c2ncnc3N 62a_200000516110_100000210206 [0,2,0,0,0,0|1,0,1]=4 275 B20R3.223 C#Cc1ccc(cc1)Nc2ncnc3c2cn[nH]3 27a_100011215031_100000735611 [0,0,1,1,0,0|1,0,0]=3 276 B20R3.223 C=Cc1ccc(cc1)Nc2ncnc3c2cn[nH]3 27a_100011218248_100000735611 [0,0,1,1,0,0|1,0,1]=4 277 B20R3.223 CCc1ccc(cc1)Nc2ncnc3c2cn[nH]3 27a_100000211069_100000735611 [0,0,1,1,0,0|1,0,1]=4 278 B20R3.223 COc1ccc(cc1)Nc2ncnc3c2cn[nH]3 27a_100000184247_100000735611 [0,0,1,1,0,0|2,0,0]=4 279 B20R3.223 CSc1ccc(cc1)Nc2ncnc3c2cn[nH]3 27a_100000212337_100000735611 [0,0,1,1,0,0|2,0,0]=4 280 B20R3.223 OCc1ccc(cc1)Nc2ncnc3c2cn[nH]3 27a_100011215238_100000735611 [0,0,1,1,0,0|1,0,1]=4 281 B20R3.526921 Cc1ccncc1c2n[nH]c3c2cc(cc3)C#N 271570a_100011935247_200009888970 [0,0,1,1,0,0|2,0,0]=4 282 B20R3.526921 Cc1ncccc1c2n[nH]c3c2cc(cc3)C#N 271570a_100011934933_200009888970 [0,0,1,1,0,0|2,0,0]=4 283 B20R3.526921 Cc1ncncc1c2n[nH]c3c2cc(cc3)C#N 271570a_200010046012_200009888970 [0,0,1,1,0,0|1,0,0]=3 284 B20R3.526921 Cc1ncncc1c2n[nH]c3c2cc(cn3)C#N 271570a_200010046012_100010745169 [0,0,1,1,0,0|2,0,0]=4 285 B20R3.526921 N#Cc1ccc2[nH]nc(c2c1)c3ccccc3N 271570a_100000034411_200009888970 [0,0,1,1,0,0|2,0,0]=4 286 B20R3.526921 N#Cc1ccc2[nH]nc(c2c1)c3cccnc3Cl 271570a_100000047009_200009888970 [0,0,1,1,0,0|2,0,0]=4 287 B20R3.526921 N#Cc1ccc2[nH]nc(c2c1)c3cccnc3F 271570a_100000042387_200009888970 [0,0,1,1,0,0|2,0,0]=4 288 B20R3.526921 N#Cc1ccc2[nH]nc(c2c1)c3cccnc3N 271570a_100000071976_200009888970 [0,0,1,1,0,0|1,0,0]=3 289 B20R3.526921 N#Cc1ccc2[nH]nc(c2c1)c3cnccc3Cl 271570a_100000062317_200009888970 [0,0,1,1,0,0|2,0,0]=4 290 B20R3.526921 N#Cc1ccc2[nH]nc(c2c1)c3cnccc3N 271570a_200010248739_200009888970 [0,0,1,1,0,0|1,0,0]=3 291 B20R3.526921 N#Cc1cnc2[nH]nc(c2c1)c3cccnc3N 271570a_100000071976_100010745169 [0,0,1,1,0,0|2,0,0]=4 292 B20R3.526921 N#Cc1cnc2[nH]nc(c2c1)c3cnccc3N 271570a_200010248739_100010745169 [0,0,1,1,0,0|2,0,0]=4 293 B20R3.5 N#Cc1ccc(cc1)n2cc(cn2)c3cncs3 271570a_100010231675_100012072490 [0,0,1,1,0,0|2,0,0]=4 294 B20R3.5 N#Cc1ccc(cc1)n2cc(cn2)c3ncc[nH]3 271570a_100016988920_100012072490 [0,0,1,1,0,0|1,0,0]=3 295 B20R3.207 N#Cc1ccc(cc1)c2nc3ncnc(c3[nH]2)N 271570a_100000034517_100009817290 [0,0,1,1,0,0|2,0,0]=4 296 B22R4.552656 Nc1ncnc2c1cnn2c3ccc(cc3)C4CC4 271570a_100011220607_200000516110 [0,1,0,1,0,0|1,0,1]=4 297 B18R2.95 COc1c(ncnc1c2ccc(cc2)C#N)N 271570a_100000034517_100011998528 [0,0,1,0,1,0|2,0,0]=4 298 B18R2.95 N#Cc1ccc(cc1)c2ccnc(c2C=O)N 271570a_100000034517_100009843235 [0,0,1,0,1,0|2,0,0]=4 299 B18R2.95 N#Cc1ccc(cc1)c2ncnc(c2C#N)N 271570a_100000034517_100000086035 [0,0,1,0,1,0|0,0,2]=4 300 B18R2.95 N#Cc1ccc(cc1)c2ncnc(c2C=O)N 271570a_100000034517_100000765549 [0,0,1,0,1,0|1,0,0]=3 301 B18R2.95 N#Cc1ccc(cn1)c2ncnc(c2C=O)N 271570a_100009888933_100000765549 [0,0,1,0,1,0|2,0,0]=4 302 B18R2.91 Cc1[nH]cnc1C=NNc2ccc(cc2)C#N 4a_100000739705_100000032982 [0,0,1,0,1,0|1,0,1]=4 303 B18R2.91 Cc1cn[nH]c1C=NNc2ccc(cc2)C#N 4a_100000739705_100000708485 [0,0,1,0,1,0|2,0,0]=4 304 B18R2.91 Cc1n[nH]cc1C=NNc2ccc(cc2)C#N 4a_100000739705_100000737037 [0,0,1,0,1,0|1,0,1]=4 305 B18R2.91 Cc1ncsc1C=NNc2ccc(cc2)C#N 4a_100000739705_100000764165 [0,0,1,0,1,0|2,0,0]=4 306 B18R2.91 Cc1nnsc1C=NNc2ccc(cc2)C#N 4a_100000739705_100000732746 [0,0,1,0,1,0|2,0,0]=4 307 B18R2.91 Cn1cncc1C=NNc2ccc(cc2)C#N 4a_100000739705_100000750899 [0,0,1,0,1,0|2,0,0]=4 308 B18R2.91 Cn1nccc1C=NNc2ccc(cc2)C#N 4a_100000739705_100000737161 [0,0,1,0,1,0|2,0,0]=4 309 B18R2.91 N#Cc1ccc(cc1)NN=Cc2[nH]ncc2Br 4a_100000739705_100000732679 [0,0,1,0,1,0|2,0,0]=4 310 B18R2.91 N#Cc1ccc(cc1)NN=Cc2ccsc2Br 4a_100000739705_100009816921 [0,0,1,0,1,0|2,0,0]=4 311 B18R2.91 N#Cc1ccc(cc1)NN=Cc2ccsc2Cl 4a_100000739705_100000089901 [0,0,1,0,1,0|2,0,0]=4 312 B18R2.91 N#Cc1ccc(cc1)NN=Cc2cscc2Br 4a_100000739705_100000685484 [0,0,1,0,1,0|2,0,0]=4 313 B18R2.91 N#Cc1ccc(cc1)NN=Cc2nc[nH]c2Br 4a_100000739705_100015192532 [0,0,1,0,1,0|1,0,1]=4 314 B18R2.91 N#Cc1ccc(cc1)NN=Cc2scnc2Cl 4a_100000739705_100000094495 [0,0,1,0,1,0|2,0,0]=4 315 B18R2.4327 Cc1ncncc1C=Cc2ccc(cc2)C#N 271570a_100102527917_100009819671 [0,0,1,0,1,0|2,0,0]=4 316 B18R2.4327 N#Cc1ccc(cc1)C=Cc2cccnc2N 271570a_100102527917_100000045569 [0,0,1,0,1,0|2,0,0]=4 317 B18R2.4327 N#Cc1ccc(cc1)C=Cc2cnccc2N 271570a_100102527917_100000047001 [0,0,1,0,1,0|2,0,0]=4 318 B18R2.4327 N#Cc1ccc(cc1)C=Cc2cncnc2Br 271570a_100102527917_200012461658 [0,0,1,0,1,0|2,0,0]=4 319 B18R2.4327 N#Cc1ccc(cc1)C=Cc2cncnc2Cl 271570a_100102527917_100000758962 [0,0,1,0,1,0|2,0,0]=4 320 B18R2.4327 N#Cc1ccc(cc1)C=Cc2cncnc2N 271570a_100102527917_100011996079 [0,0,1,0,1,0|1,0,0]=3 321 B18R2.4327 N#Cc1ccc(cc1)C=Cc2cncnc2O 271570a_100102527917_100000751107 [0,0,1,0,1,0|2,0,0]=4 322 B18R2.4327 N#Cc1ccc(cc1)COc2cncnc2N 7a_100000112926_100000184898 [0,0,1,0,1,0|2,0,0]=4 323 B18R2.4327 N#Cc1ccc(cc1)CSc2cncnc2N 62a_100011996079_100000184898 [0,0,1,0,1,0|2,0,0]=4 324 B20R2.5597 COc1c(ncnc1NCc2ccc(cc2)C#N)N 27a_100015207190_100011998528 [0,0,1,0,0,1|2,0,0]=4 325 B20R2.5597 N#Cc1ccc(cc1)C=Cc2ncnc(c2C=O)N 271570a_100102527917_100000765549 [0,0,1,0,0,1|2,0,0]=4 326 B20R2.5597 N#Cc1ccc(cc1)CNc2ncnc(c2C#N)N 27a_100015207190_100000086035 [0,0,1,0,0,1|0,0,2]=4 327 B20R2.5597 N#Cc1ccc(cc1)CSc2ncnc(c2C=O)N 62a_100000765549_100000184898 [0,0,1,0,0,1|2,0,0]=4 328 B20R2.5519 CN(Cc1ccc(cc1)C#N)c2ncnc(c2F)N 27a_100000217971_100000126652 [0,0,1,0,0,1|2,0,0]=4 329 B20R2.5519 Cc1c(ncnc1N(C)Cc2ccc(cc2)C#N)N 27a_100000217971_100011913465 [0,0,1,0,0,1|1,0,1]=4 330 B20R3.209 N#Cc1ccc(cc1)c2cccc3c2ncnc3 271570a_100000034517_100010246313 [1,0,0,0,0,1|2,0,0]=4 331 B20R3.209 N#Cc1ccc(cc1)c2cncc3c2ccnc3 271570a_100000034517_100010134378 [1,0,0,0,0,1|2,0,0]=4 332 B20R3.209 N#Cc1ccc(cc1)c2nccc3c2nccc3 271570a_100000034517_100010063729 [1,0,0,0,0,1|2,0,0]=4 333 B20R3.209 N#Cc1ccc(cc1)c2ncnc3c2ccnc3 271570a_100000034517_100000098430 [1,0,0,0,0,1|2,0,0]=4 334 B22R3.421 N#Cc1ccc(cc1)Sc2cccc3c2ncnc3N 62a_100010199759_100000184291 [0,0,0,0,0,2|2,0,0]=4 335 B22R3.284076 N#Cc1ccc(cc1)Sc2ccc3c(ncnc3c2)N 62a_100010199758_100000184291 [0,0,0,0,0,2|2,0,0]=4