0 B13R1.718 CNC(=O)CNCc1ccncc1 AIFCHEM-94562545745 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.718 COC(=O)CNCc1ccncc1 AIFCHEM-6212392937 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.8 CCNCCCc1cccnc1 AIFCHEM-94537421400 [1,0,0,0,0,0|3,0,0]=4 3 B14R1.13 CCN(C)CCCc1ccc(cc1)Br AIFCHEM-6173217246 [0,1,0,0,0,0|3,0,0]=4 4 B14R1.13 CNC(=O)CNCc1ccc(cc1)I AIFCHEM-94562541319 [0,1,0,0,0,0|3,0,0]=4 5 B14R1.13 CNC(=O)CNCc1ccc(cc1)O AIFCHEM-94562540535 [0,1,0,0,0,0|3,0,0]=4 6 B14R1.13 COC(=O)CNCc1ccc(cc1)Br AIFCHEM-6212458962 [0,1,0,0,0,0|3,0,0]=4 7 B14R1.13 COC(=O)CNCc1ccc(cc1)C AIFCHEM-6234483971 [0,1,0,0,0,0|3,0,0]=4 8 B14R1.520 CN(CCO)CCCc1ccccc1 AIFCHEM-6389686628 [0,1,0,0,0,0|3,0,0]=4 9 B14R1.837 CNC(=O)CNCc1ccccc1O AIFCHEM-94562545975 [0,1,0,0,0,0|3,0,0]=4 10 B14R1.837 COC(=O)CNCc1ccccc1F AIFCHEM-6215795271 [0,1,0,0,0,0|3,0,0]=4 11 B14R1.837 COC(=O)CNCc1ccccc1O AIFCHEM-94532467104 [0,1,0,0,0,0|3,0,0]=4 12 B14R1.1025 COC(=O)CNCc1cccc(c1)Br AIFCHEM-6233615057 [0,1,0,0,0,0|3,0,0]=4 13 B14R1.1025 COC(=O)CNCc1cccc(c1)F AIFCHEM-6215910319 [0,1,0,0,0,0|3,0,0]=4 14 B14R1.6449 CC(C)N(C)CCCc1ccccc1 AIFCHEM-94547935402 [0,1,0,0,0,0|3,0,0]=4 15 B14R2.19 O=C1CC(CN1)Nc2ccccc2 AIFCHEM-94552035366 [0,0,0,1,0,0|3,0,0]=4 16 B12R1.27 O=C(CO)NCc1cccnc1 AIFCHEM-6213017725 [0,0,0,0,1,0|3,0,0]=4 17 B12R1.27 O=C(CO)NCc1ccncc1 AIFCHEM-94532684529 [0,0,0,0,1,0|3,0,0]=4 18 B12R1.477 CCC(=O)NCCc1ncc[nH]1 AIFCHEM-94526503472 [0,0,0,0,1,0|3,0,0]=4 19 B12R1.477 CCC(=O)NCCc1nccs1 AIFCHEM-94526503930 [0,0,0,0,1,0|3,0,0]=4 20 B12R1.477 CCC(=O)NCCn1ccnc1 AIFCHEM-94538628178 [0,0,0,0,1,0|3,0,0]=4 21 B14R1.716 CCC(=O)NCCCc1ccncc1 AIFCHEM-94526506117 [0,0,0,0,0,1|2,0,0]=3 22 B14R1.716 CCC(=O)NCCOc1ncccn1 AIFCHEM-94526505348 [0,0,0,0,0,1|3,0,0]=4 23 B14R1.716 CCN(C)CCOCc1ccccc1 AIFCHEM-94563259601 [0,0,0,0,0,1|3,0,0]=4 24 B14R1.716 COC(=O)CCCNc1ccccc1 AIFCHEM-94552033058 [0,0,0,0,0,1|2,0,0]=3 25 B14R1.716 COC(=O)CCCNc1ccncc1 AIFCHEM-94592442665 [0,0,0,0,0,1|3,0,0]=4 26 B14R1.716 COC(=O)CCNCc1ccccn1 AIFCHEM-6173863971 [0,0,0,0,0,1|3,0,0]=4 27 B14R1.716 O=C(CO)NCC#Cc1ccccc1 AIFCHEM-5951408042 [0,0,0,0,0,1|2,0,1]=4 28 B13R1.6 CCNCCCc1cccc(c1)Cl AIFCHEM-94537417360 [1,1,0,0,0,0|2,0,0]=4 29 B13R1.9 CCCNCCc1ccc(cc1)C AIFCHEM-5792900870 [1,1,0,0,0,0|1,0,1]=4 30 B13R1.24 CCNCCC(O)c1ccccc1 AIFCHEM-94537422180 [1,1,0,0,0,0|2,0,0]=4 31 B13R1.28 CCCNCCCc1ccccc1 AIFCHEM-5790560469 [1,1,0,0,0,0|1,0,1]=4 32 B13R1.28 CCNCCCCc1ccccc1 AIFCHEM-94537420007 [1,1,0,0,0,0|1,0,1]=4 33 B13R1.337 CC(C)NCCCc1ccccc1 AIFCHEM-94520536453 [1,1,0,0,0,0|2,0,0]=4 34 B13R1.11 CCC(=O)NC(C)c1ccncc1 AIFCHEM-94575925208 [0,1,0,0,1,0|2,0,0]=4 35 B13R1.11 CCC(=O)N[C@@H](C)c1ccncc1 AIFCHEM-94526505823 [0,1,0,0,1,0|2,0,0]=4 36 B13R1.11 CCC(=O)N[C@H](C)c1ccncc1 AIFCHEM-94526498994 [0,1,0,0,1,0|2,0,0]=4 37 B13R1.14 CCC(=O)NCc1ccc(cc1)Br AIFCHEM-94526505617 [0,1,0,0,1,0|1,0,0]=3 38 B13R1.14 CCC(=O)NCc1ccc(cn1)Br AIFCHEM-94526501149 [0,1,0,0,1,0|2,0,0]=4 39 B13R1.14 CCC(=O)NCc1ccc(cn1)F AIFCHEM-94526508447 [0,1,0,0,1,0|2,0,0]=4 40 B13R1.15 CCC(=O)NCc1cccc(c1)O AIFCHEM-94526510073 [0,1,0,0,1,0|1,0,0]=3 41 B13R1.15 CCC(=O)NCc1cncc(c1)Br AIFCHEM-94586404877 [0,1,0,0,1,0|2,0,0]=4 42 B13R1.15 O=C(CO)NCc1cccc(c1)Br AIFCHEM-94532674370 [0,1,0,0,1,0|2,0,0]=4 43 B13R1.135 CCC(=O)N(C)Cc1ccccc1 AIFCHEM-94536109342 [0,1,0,0,1,0|1,0,0]=3 44 B13R1.528 CCC(=O)NCc1ccccc1C AIFCHEM-94526511478 [0,1,0,0,1,0|1,0,0]=3 45 B13R1.528 CCC(=O)NCc1ccccc1O AIFCHEM-94592074375 [0,1,0,0,1,0|1,0,0]=3 46 B13R1.528 CCC(=O)NCc1ccncc1F AIFCHEM-94526511127 [0,1,0,0,1,0|2,0,0]=4 47 B13R1.528 CCC(=O)NCc1cnccc1C AIFCHEM-94526502485 [0,1,0,0,1,0|2,0,0]=4 48 B13R1.528 CCC(=O)NCc1ncccc1Br AIFCHEM-94526499382 [0,1,0,0,1,0|2,0,0]=4 49 B13R1.528 CCC(=O)NCc1ncccc1C AIFCHEM-94526506664 [0,1,0,0,1,0|2,0,0]=4 50 B13R1.528 CCC(=O)NCc1ncccc1F AIFCHEM-94526506171 [0,1,0,0,1,0|2,0,0]=4 51 B13R1.528 O=C(CO)NCc1ccccc1Br AIFCHEM-5867710510 [0,1,0,0,1,0|2,0,0]=4 52 B13R1.528 O=C(CO)NCc1ccccc1I AIFCHEM-94532682311 [0,1,0,0,1,0|2,0,0]=4 53 B13R1.528 O=C(CO)NCc1ccccc1O AIFCHEM-94532675766 [0,1,0,0,1,0|2,0,0]=4 54 B13R1.1110 CC(C)C(=O)NCCn1cccc1 AIFCHEM-94545047557 [0,1,0,0,1,0|2,0,0]=4 55 B15R1.26 CCC(=O)NCCOc1ccc(cc1)Cl AIFCHEM-94526505918 [0,1,0,0,0,1|1,0,0]=3 56 B15R1.26 CCC(=O)NCCOc1ccc(cn1)Cl AIFCHEM-94526502144 [0,1,0,0,0,1|2,0,0]=4 57 B15R1.26 COC(=O)CCCNc1ccc(cc1)Cl AIFCHEM-94592432382 [0,1,0,0,0,1|2,0,0]=4 58 B15R1.26 COC(=O)CCNCc1ccc(cc1)Cl AIFCHEM-6131256414 [0,1,0,0,0,1|2,0,0]=4 59 B15R1.26 COC(=O)CNCCc1ccc(cc1)Br AIFCHEM-6213710061 [0,1,0,0,0,1|2,0,0]=4 60 B15R1.26 Cc1ccc(cc1)CCCNC(=O)CO AIFCHEM-5857156524 [0,1,0,0,0,1|2,0,0]=4 61 B15R1.26 O=C(CO)NCCCc1ccc(cc1)Cl AIFCHEM-94532682079 [0,1,0,0,0,1|2,0,0]=4 62 B15R1.26 O=C(CO)NCCOc1ccc(cc1)F AIFCHEM-94542007485 [0,1,0,0,0,1|2,0,0]=4 63 B15R1.741 COC(=O)CC(C)NCc1ccccc1 AIFCHEM-5794339861 [0,1,0,0,0,1|2,0,0]=4 64 B15R1.778 COCC(=O)NCCOc1ccccn1 AIFCHEM-5790787294 [0,1,0,0,0,1|2,0,0]=4 65 B15R1.778 CSCC(=O)NCCCc1cccnc1 AIFCHEM-5799825098 [0,1,0,0,0,1|2,0,0]=4 66 B15R1.778 O=C(CCO)NCCCc1ccncc1 AIFCHEM-5787865089 [0,1,0,0,0,1|2,0,0]=4 67 B15R1.942 COC(=O)CCCNc1cccc(c1)C AIFCHEM-94592444421 [0,1,0,0,0,1|2,0,0]=4 68 B15R1.942 COC(=O)CCNCc1cccc(c1)Br AIFCHEM-6108353545 [0,1,0,0,0,1|2,0,0]=4 69 B15R1.942 COC(=O)CCNCc1cccc(c1)C AIFCHEM-6173780145 [0,1,0,0,0,1|2,0,0]=4 70 B15R1.942 COC(=O)CNCCc1cccc(c1)Cl AIFCHEM-6234604777 [0,1,0,0,0,1|2,0,0]=4 71 B15R1.959 COC(=O)CCCN(C)c1ccccc1 AIFCHEM-94545176560 [0,1,0,0,0,1|2,0,0]=4 72 B15R1.1091 CCC(=O)NCCOc1ccccc1Br AIFCHEM-94526505688 [0,1,0,0,0,1|1,0,0]=3 73 B15R1.1091 CCC(=O)NCCOc1ccccc1Cl AIFCHEM-94526505655 [0,1,0,0,0,1|1,0,0]=3 74 B15R1.1091 CNC(=O)CNCCc1ccccc1Cl AIFCHEM-94562543628 [0,1,0,0,0,1|2,0,0]=4 75 B15R1.1091 COC(=O)CCCNc1ccccc1Cl AIFCHEM-94592448020 [0,1,0,0,0,1|2,0,0]=4 76 B15R1.1091 COC(=O)CCNCc1ccccc1O AIFCHEM-94532464275 [0,1,0,0,0,1|2,0,0]=4 77 B15R1.1091 O=C(CO)NCCOc1ccccc1F AIFCHEM-94532675730 [0,1,0,0,0,1|2,0,0]=4 78 B15R1.89 CCNC(=O)CNC(C)c1ccccc1 AIFCHEM-94560531902 [0,2,0,0,0,0|2,0,0]=4 79 B15R1.157 CCCNC(=O)CCSc1ccccc1 AIFCHEM-94521378896 [0,2,0,0,0,0|2,0,0]=4 80 B15R1.633 CCOC(=O)CNCc1cccc(c1)I AIFCHEM-5592961134 [0,2,0,0,0,0|2,0,0]=4 81 B15R1.1252 CCNC(=O)CNCc1ccccc1Br AIFCHEM-5793506292 [0,2,0,0,0,0|2,0,0]=4 82 B15R1.1252 CCNC(=O)CNCc1ccccc1O AIFCHEM-94532467747 [0,2,0,0,0,0|2,0,0]=4 83 B15R1.1252 CCOC(=O)CNCc1ccccc1F AIFCHEM-5592765854 [0,2,0,0,0,0|2,0,0]=4 84 B15R1.1252 CCOC(=O)CNCc1ccccc1I AIFCHEM-5592823750 [0,2,0,0,0,0|2,0,0]=4 85 B15R1.1252 CCOC(=O)CNCc1ccccc1O AIFCHEM-94532467783 [0,2,0,0,0,0|2,0,0]=4 86 B15R1.9084 CC(C)NC(=O)CCCc1ccccc1 AIFCHEM-94520546106 [0,2,0,0,0,0|1,0,0]=3 87 B15R1.9084 CC(C)NC(=O)CCCc1ccncc1 AIFCHEM-94520543150 [0,2,0,0,0,0|2,0,0]=4 88 B15R1.9084 CC(C)NC(=O)CCOc1ccccc1 AIFCHEM-94520550804 [0,2,0,0,0,0|2,0,0]=4 89 B15R1.9084 CC(C)NC(=O)CCSc1ccccc1 AIFCHEM-94520549511 [0,2,0,0,0,0|2,0,0]=4 90 B13R2.72 CC(=O)N1CCc2c1cncc2 AIFCHEM-5724062776 [1,0,0,1,0,0|2,0,0]=4 91 B13R2.72 CC(=O)N1CCc2c1nccc2 AIFCHEM-6172570028 [1,0,0,1,0,0|2,0,0]=4 92 B15R2.283 O=C1CC(CO1)NCc2ccccc2 AIFCHEM-94554632164 [0,0,0,1,0,1|2,0,0]=4 93 B15R2.79765 CCC(=O)N1CCOc2c1cccn2 AIFCHEM-94526499714 [0,0,0,1,0,1|2,0,0]=4 94 B15R2.79765 CCC(=O)N1CCSc2c1cccc2 AIFCHEM-94526506142 [0,0,0,1,0,1|1,0,0]=3 95 B15R2.79417 CCC(=O)N1CCc2c1cc(cc2)I AIFCHEM-94526499982 [0,1,0,1,0,0|1,0,0]=3 96 B15R2.79417 O=C(CO)N1CCc2c1cc(cc2)F AIFCHEM-94532680443 [0,1,0,1,0,0|2,0,0]=4 97 B15R2.73 COCC(=O)N1CCc2c1nccc2 AIFCHEM-6117042491 [0,1,0,1,0,0|2,0,0]=4 98 B15R2.73 CSCC(=O)N1CCc2c1cccc2 AIFCHEM-5816075517 [0,1,0,1,0,0|1,0,0]=3 99 B15R2.73 CSCC(=O)N1CCc2c1nccc2 AIFCHEM-6172839631 [0,1,0,1,0,0|2,0,0]=4 100 B15R2.2170 CCC(=O)N1CCc2c1cccc2F AIFCHEM-94526508384 [0,1,0,1,0,0|1,0,0]=3 101 B15R2.2170 CCC(=O)N1CCc2c1ccnc2Cl AIFCHEM-94526507770 [0,1,0,1,0,0|2,0,0]=4 102 B15R2.2170 O=C(CO)N1CCc2c1cccc2Cl AIFCHEM-94532682521 [0,1,0,1,0,0|2,0,0]=4 103 B15R2.19094 CCC(=O)N1CCc2c1ccc(c2)C AIFCHEM-94526509439 [0,1,0,1,0,0|1,0,0]=3 104 B15R2.19094 CCC(=O)N1CCc2c1ccc(n2)Br AIFCHEM-94526501244 [0,1,0,1,0,0|2,0,0]=4 105 B15R2.19094 CCC(=O)N1CCc2c1cnc(c2)Cl AIFCHEM-94526500445 [0,1,0,1,0,0|2,0,0]=4 106 B15R2.79451 CCC(=O)N1CCc2c1c(ccc2)Br AIFCHEM-94526509125 [0,1,0,1,0,0|1,0,0]=3 107 B15R2.79451 CCC(=O)N1CCc2c1c(ccc2)F AIFCHEM-94555704729 [0,1,0,1,0,0|1,0,0]=3 108 B15R2.1255 CC(C)C(=O)N1CCc2c1cccc2 AIFCHEM-94545049312 [0,1,0,1,0,0|1,0,0]=3 109 B15R2.1255 CC(C)C(=O)N1CCc2c1cncc2 AIFCHEM-94573877472 [0,1,0,1,0,0|2,0,0]=4 110 B15R2.1255 CC(O)C(=O)N1CCc2c1cccc2 AIFCHEM-94571306990 [0,1,0,1,0,0|1,0,0]=3 111 B11R1.91 CC(=O)NCc1ccccn1 AIFCHEM-5686879180 [1,0,0,0,1,0|2,0,0]=4 112 B11R1.172 CC(=O)NCCn1cccc1 AIFCHEM-94535595097 [1,0,0,0,1,0|2,0,0]=4 113 B11R1.40 CCC(=O)Nc1ccccn1 AIFCHEM-94526506315 [0,0,0,0,2,0|2,0,0]=4 114 B11R1.40 CCN(C)Cc1ccccc1 AIFCHEM-94537411577 [0,0,0,0,2,0|2,0,0]=4 115 B15R1.962 CCC(=O)NCCNCc1ccccn1 AIFCHEM-94532522497 [0,0,0,0,0,2|2,0,0]=4 116 B15R1.962 CCC(=O)NCCSCc1ccccn1 AIFCHEM-94596863944 [0,0,0,0,0,2|2,0,0]=4 117 B15R1.962 CNC(=O)CNCCCc1ccccc1 AIFCHEM-5891504839 [0,0,0,0,0,2|2,0,0]=4 118 B15R1.962 COC(=O)CCCCNc1ccccc1 AIFCHEM-94552036556 [0,0,0,0,0,2|2,0,0]=4 119 B15R1.962 O=C(CO)NCCCOc1ccccc1 AIFCHEM-6167486137 [0,0,0,0,0,2|2,0,0]=4