0 B23R2.66076 COc1cc(ccc1c2cnco2)NC(=O)[C@@H](O)CC(C)C AIFCHEM-94591602309 [0,0,0,0,0,0|3,0,0]=3 1 B22R2.54635 COc1cc(ccc1c2cc[nH]n2)NC(=O)CCC(C)C AIFCHEM-94779407104 [1,0,0,0,0,0|3,0,0]=4 2 B22R2.54635 COc1cc(ccc1c2ccns2)NC(=O)CCC(C)C AIFCHEM-45636693881 [1,0,0,0,0,0|3,0,0]=4 3 B22R2.54635 COc1cc(ccc1c2ccon2)NC(=O)CCC(C)C AIFCHEM-45636785068 [1,0,0,0,0,0|3,0,0]=4 4 B22R2.54635 COc1cc(ccc1c2ccsn2)NC(=O)CCC(C)C AIFCHEM-45636625244 [1,0,0,0,0,0|3,0,0]=4 5 B22R2.54635 COc1cc(ccc1c2cncs2)NC(=O)COC(C)C AIFCHEM-46350777615 [1,0,0,0,0,0|3,0,0]=4 6 B22R2.54635 COc1cc(ccc1c2cncs2)NC(=O)CSC(C)C AIFCHEM-38539590555 [1,0,0,0,0,0|3,0,0]=4 7 B22R2.54635 COc1cc(ccc1c2cnsc2)NC(=O)CCC(C)C AIFCHEM-45632217646 [1,0,0,0,0,0|3,0,0]=4 8 B22R2.54635 COc1cc(ccc1c2cscn2)NC(=O)CCC(C)C AIFCHEM-90068896402 [1,0,0,0,0,0|2,0,0]=3 9 B22R2.54635 COc1cc(ccc1c2cscn2)NC(=O)COC(C)C AIFCHEM-92131982810 [1,0,0,0,0,0|3,0,0]=4 10 B22R2.54635 COc1cc(ccc1c2cscn2)NC(=O)CSC(C)C AIFCHEM-86212995977 [1,0,0,0,0,0|3,0,0]=4 11 B22R2.54635 COc1cc(ccc1c2nccs2)NC(=O)CCC(C)C AIFCHEM-45633055015 [1,0,0,0,0,0|3,0,0]=4 12 B22R2.54635 COc1cc(ccc1c2ncn[nH]2)NC(=O)CCC(C)C AIFCHEM-90069377491 [1,0,0,0,0,0|2,0,0]=3 13 B22R2.54635 COc1cc(ccc1c2ncn[nH]2)NC(=O)COC(C)C AIFCHEM-92132584819 [1,0,0,0,0,0|3,0,0]=4 14 B22R2.54635 COc1cc(ccc1c2ncn[nH]2)NC(=O)CSC(C)C AIFCHEM-86213231346 [1,0,0,0,0,0|3,0,0]=4 15 B22R2.54635 COc1cc(ccc1c2ncns2)NC(=O)CCC(C)C AIFCHEM-45632800227 [1,0,0,0,0,0|2,0,0]=3 16 B22R2.54635 COc1cc(ccc1c2ncns2)NC(=O)COC(C)C AIFCHEM-46351124707 [1,0,0,0,0,0|3,0,0]=4 17 B22R2.54635 COc1cc(ccc1c2ncns2)NC(=O)CSC(C)C AIFCHEM-38540120227 [1,0,0,0,0,0|3,0,0]=4 18 B22R2.54635 COc1cc(ccc1c2nncs2)NC(=O)CCC(C)C AIFCHEM-90088320486 [1,0,0,0,0,0|3,0,0]=4 19 B22R2.62501 CCCC(C)C(=O)Nc1ccc(c(c1)OC)c2cnco2 AIFCHEM-5691607007 [1,0,0,0,0,0|3,0,0]=4 20 B22R2.62501 CCCC(C)C(=O)Nc1ccc(c(c1)OC)c2cncs2 AIFCHEM-40144814559 [1,0,0,0,0,0|3,0,0]=4 21 B22R2.62501 CCCC(C)C(=O)Nc1ccc(c(c1)OC)c2cscn2 AIFCHEM-84942231651 [1,0,0,0,0,0|3,0,0]=4 22 B22R2.62501 CCCC(C)C(=O)Nc1ccc(c(c1)OC)c2ncns2 AIFCHEM-40145161651 [1,0,0,0,0,0|3,0,0]=4 23 B24R3.2058222 COc1cc(ccc1c2cncs2)NC(=O)C3CCC(C3)C AIFCHEM-46560848121 [0,0,0,1,0,0|3,0,0]=4 24 B24R3.2058222 COc1cc(ccc1c2cscn2)NC(=O)C3CCC(C3)C AIFCHEM-86949581679 [0,0,0,1,0,0|3,0,0]=4 25 B24R3.2058222 COc1cc(ccc1c2ncn[nH]2)NC(=O)C3CCC(C3)C AIFCHEM-86950007508 [0,0,0,1,0,0|3,0,0]=4 26 B24R3.2058222 COc1cc(ccc1c2ncns2)NC(=O)C3CCC(C3)C AIFCHEM-46561195213 [0,0,0,1,0,0|3,0,0]=4 27 B24R3.5849732 COc1cc(ccc1c2cncs2)NC(=O)C3CC(C3)(C)C AIFCHEM-41264573979 [0,0,0,1,0,0|3,0,0]=4 28 B24R3.5849732 COc1cc(ccc1c2cscn2)NC(=O)C3CC(C3)(C)C AIFCHEM-93901899853 [0,0,0,1,0,0|3,0,0]=4 29 B24R3.5849732 COc1cc(ccc1c2ncn[nH]2)NC(=O)C3CC(C3)(C)C AIFCHEM-93902249262 [0,0,0,1,0,0|3,0,0]=4 30 B24R3.5849732 COc1cc(ccc1c2ncns2)NC(=O)C3CC(C3)(C)C AIFCHEM-41265017391 [0,0,0,1,0,0|3,0,0]=4 31 B22R2.54686 COc1cc(ccc1c2cncs2)NC(=O)C(C)C(C)C AIFCHEM-46443131678 [0,0,0,0,1,0|3,0,0]=4 32 B22R2.54686 COc1cc(ccc1c2cscn2)NC(=O)C(C)C(C)C AIFCHEM-87854124214 [0,0,0,0,1,0|3,0,0]=4 33 B22R2.54686 COc1cc(ccc1c2cscn2)NC(=O)[C@H](O)C(C)C AIFCHEM-84245656954 [0,0,0,0,1,0|3,0,0]=4 34 B22R2.54686 COc1cc(ccc1c2ncns2)NC(=O)C(C)C(C)C AIFCHEM-46443633070 [0,0,0,0,1,0|3,0,0]=4 35 B21R2.39120 CCCCC(=O)Nc1ccc(c(c1)OC)c2cscn2 AIFCHEM-79420777078 [2,0,0,0,0,0|2,0,0]=4 36 B21R2.39120 CCCCC(=O)Nc1ccc(c(c1)OC)c2ncn[nH]2 AIFCHEM-79421109587 [2,0,0,0,0,0|2,0,0]=4 37 B21R2.93311 Cc1cc(ccc1c2cscn2)NC(=O)CCC(C)C AIFCHEM-90083512521 [2,0,0,0,0,0|2,0,0]=4 38 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(cc1)n2cnnn2 AIFCHEM-94584837340 [2,0,0,0,0,0|2,0,0]=4 39 B21R2.12906 CC(C)C[C@@H](O)C(=O)Nc1ccc(cc1)n2cnnn2 AIFCHEM-94584834728 [2,0,0,0,0,0|2,0,0]=4 40 B21R2.12906 CC(C)C[C@H](O)C(=O)Nc1ccc(cc1)n2cnnn2 AIFCHEM-94584832949 [2,0,0,0,0,0|2,0,0]=4 41 B23R2.65989 COc1cc(ccc1c2cncn2C)NC(=O)CCC(C)C AIFCHEM-90083364268 [1,1,0,0,0,0|1,0,1]=4 42 B23R2.65989 COc1cc(ccc1c2ncnn2C)NC(=O)CCC(C)C AIFCHEM-75740550166 [1,1,0,0,0,0|2,0,0]=4 43 B23R2.65989 COc1cc(ccc1c2scnc2C)NC(=O)CCC(C)C AIFCHEM-45632182009 [1,1,0,0,0,0|2,0,0]=4 44 B23R2.66079 CCC(C)CCC(=O)Nc1ccc(c(c1)OC)c2cscn2 AIFCHEM-90776444524 [1,1,0,0,0,0|2,0,0]=4 45 B23R2.66079 CCC(C)CCC(=O)Nc1ccc(c(c1)OC)c2ncn[nH]2 AIFCHEM-90776834073 [1,1,0,0,0,0|2,0,0]=4 46 B23R2.68013 COc1cc(ccc1c2c[nH]c(n2)C)NC(=O)CCC(C)C AIFCHEM-75740543359 [1,1,0,0,0,0|1,0,1]=4 47 B23R2.68013 COc1cc(ccc1c2csc(n2)C)NC(=O)CCC(C)C AIFCHEM-45632372108 [1,1,0,0,0,0|2,0,0]=4 48 B23R2.68013 COc1cc(ccc1c2nc(ns2)C)NC(=O)CCC(C)C AIFCHEM-45632300470 [1,1,0,0,0,0|2,0,0]=4 49 B23R3.2000075 COc1cc(ccc1c2cscn2)NC(=O)C3CC(C3)C AIFCHEM-90609539812 [1,0,0,1,0,0|2,0,0]=4 50 B23R3.2000075 COc1cc(ccc1c2ncn[nH]2)NC(=O)C3CC(C3)C AIFCHEM-90610103421 [1,0,0,1,0,0|2,0,0]=4 51 B23R3.2000075 COc1cc(ccc1c2ncns2)NC(=O)C3CC(C3)C AIFCHEM-40633732677 [1,0,0,1,0,0|2,0,0]=4 52 B23R3.2000076 COc1cc(ccc1c2cncs2)NC(=O)CCC3CC3 AIFCHEM-43724798951 [1,0,0,1,0,0|2,0,0]=4 53 B23R3.2000076 COc1cc(ccc1c2cscn2)NC(=O)CCC3CC3 AIFCHEM-85281050098 [1,0,0,1,0,0|2,0,0]=4 54 B23R3.2000076 COc1cc(ccc1c2ncn[nH]2)NC(=O)CCC3CC3 AIFCHEM-85281366407 [1,0,0,1,0,0|2,0,0]=4 55 B23R3.2000076 COc1cc(ccc1c2ncns2)NC(=O)CCC3CC3 AIFCHEM-43725146043 [1,0,0,1,0,0|2,0,0]=4 56 B23R3.4399590 COc1cc(ccc1c2cncs2)NC(=O)C3CC3(C)C AIFCHEM-38289683181 [1,0,0,1,0,0|2,0,0]=4 57 B23R3.4399590 COc1cc(ccc1c2cncs2)NC(=O)[C@H]3CC3(C)C AIFCHEM-43768517435 [1,0,0,1,0,0|2,0,0]=4 58 B23R3.4399590 COc1cc(ccc1c2cscn2)NC(=O)C3CC3(C)C AIFCHEM-83867046924 [1,0,0,1,0,0|2,0,0]=4 59 B23R3.4399590 COc1cc(ccc1c2cscn2)NC(=O)[C@H]3CC3(C)C AIFCHEM-93714467147 [1,0,0,1,0,0|2,0,0]=4 60 B23R3.4399590 COc1cc(ccc1c2ncn[nH]2)NC(=O)C3CC3(C)C AIFCHEM-83867318793 [1,0,0,1,0,0|2,0,0]=4 61 B23R3.4399590 COc1cc(ccc1c2ncn[nH]2)NC(=O)[C@H]3CC3(C)C AIFCHEM-93714946296 [1,0,0,1,0,0|2,0,0]=4 62 B23R3.4399590 COc1cc(ccc1c2ncns2)NC(=O)C3CC3(C)C AIFCHEM-38290030273 [1,0,0,1,0,0|2,0,0]=4 63 B23R3.4399590 COc1cc(ccc1c2ncns2)NC(=O)[C@H]3CC3(C)C AIFCHEM-43769164927 [1,0,0,1,0,0|2,0,0]=4 64 B25R3.2122733 COc1cc(ccc1c2ccncn2)NC(=O)C3CCC(C3)C AIFCHEM-46566056872 [0,0,0,1,0,1|2,0,0]=4 65 B25R3.2122733 COc1cc(ccc1c2cnccn2)NC(=O)C3CCC(C3)C AIFCHEM-86962472362 [0,0,0,1,0,1|2,0,0]=4 66 B25R3.7140802 COc1cc(ccc1c2ccncn2)NC(=O)C3CC(C3)(C)C AIFCHEM-41267848870 [0,0,0,1,0,1|2,0,0]=4 67 B25R3.7140802 COc1cc(ccc1c2cnccn2)NC(=O)C3CC(C3)(C)C AIFCHEM-93916946076 [0,0,0,1,0,1|2,0,0]=4 68 B23R2.2840 COc1cc(ccc1c2ccccn2)NC(=O)CCC(C)C AIFCHEM-14785078685 [1,0,0,0,0,1|2,0,0]=4 69 B23R2.2840 COc1cc(ccc1c2ccncn2)NC(=O)CCC(C)C AIFCHEM-45636865886 [1,0,0,0,0,1|1,0,0]=3 70 B23R2.2840 COc1cc(ccc1c2ccncn2)NC(=O)COC(C)C AIFCHEM-46355583786 [1,0,0,0,0,1|2,0,0]=4 71 B23R2.2840 COc1cc(ccc1c2ccncn2)NC(=O)CSC(C)C AIFCHEM-38543960366 [1,0,0,0,0,1|2,0,0]=4 72 B23R2.2840 COc1cc(ccc1c2cnccn2)NC(=O)CCC(C)C AIFCHEM-90083290256 [1,0,0,0,0,1|1,0,0]=3 73 B23R2.2840 COc1cc(ccc1c2cnccn2)NC(=O)COC(C)C AIFCHEM-92146254113 [1,0,0,0,0,1|2,0,0]=4 74 B23R2.2840 COc1cc(ccc1c2cnccn2)NC(=O)CSC(C)C AIFCHEM-86224483200 [1,0,0,0,0,1|2,0,0]=4 75 B23R2.2840 COc1cc(ccc1c2ncccn2)NC(=O)CCC(C)C AIFCHEM-45632433832 [1,0,0,0,0,1|2,0,0]=4 76 B23R2.66078 COc1cc(ccc1c2cncs2)NC(=O)CCCC(C)C AIFCHEM-45523898319 [1,0,0,0,0,1|2,0,0]=4 77 B23R2.66078 COc1cc(ccc1c2cncs2)NC(=O)COCC(C)C AIFCHEM-38692316775 [1,0,0,0,0,1|2,0,0]=4 78 B23R2.66078 COc1cc(ccc1c2cscn2)NC(=O)COCC(C)C AIFCHEM-94157552607 [1,0,0,0,0,1|2,0,0]=4 79 B23R2.66078 COc1cc(ccc1c2ncn[nH]2)NC(=O)COCC(C)C AIFCHEM-94157983996 [1,0,0,0,0,1|2,0,0]=4 80 B23R2.66078 COc1cc(ccc1c2ncns2)NC(=O)CCCC(C)C AIFCHEM-45524299411 [1,0,0,0,0,1|2,0,0]=4 81 B23R2.66078 COc1cc(ccc1c2ncns2)NC(=O)COCC(C)C AIFCHEM-38692663867 [1,0,0,0,0,1|2,0,0]=4 82 B23R2.78266 CCCC(C)C(=O)Nc1ccc(c(c1)OC)c2cnccn2 AIFCHEM-84953350794 [1,0,0,0,0,1|2,0,0]=4 83 B23R2.66373 COc1cc(ccc1c2ccncn2)NC(=O)C(C)C(C)C AIFCHEM-46446178649 [0,0,0,0,1,1|2,0,0]=4 84 B23R2.66373 COc1cc(ccc1c2cnccn2)NC(=O)C(C)C(C)C AIFCHEM-87864149997 [0,0,0,0,1,1|2,0,0]=4