0 B13R1.3 CC(=O)NCc1ccc(cc1)C#N AIFCHEM-94535592120 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.3 CC(=O)NCc1ccc(nc1)C#N AIFCHEM-94535592930 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.3 CCc1ccc(cc1)CNC(=O)C AIFCHEM-94605355910 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.3 CCc1ccc(cc1)CNC(C)C AIFCHEM-94520540364 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.3 COc1ccc(cc1)NCC(C)C AIFCHEM-94577704988 [0,0,0,0,0,0|3,0,1]=4 5 B13R1.3 CSc1ccc(cc1)CNC(C)C AIFCHEM-94520539708 [0,0,0,0,0,0|2,1,1]=4 6 B12R1.71 CCCNc1ccc(cc1)OC AIFCHEM-94569015005 [1,0,0,0,0,0|2,0,1]=4 7 B14R1.2 CCc1ccc(cc1)C(C)NC(=O)C AIFCHEM-5917838286 [0,1,0,0,0,0|2,0,0]=3 8 B14R1.2 COc1ccc(cn1)[C@H](C)NC(=O)C AIFCHEM-5790646008 [0,1,0,0,0,0|2,0,0]=3 9 B14R1.5 C#CC(=O)NCc1ccc(cc1)OC AIFCHEM-94525196876 [0,1,0,0,0,0|1,0,1]=3 10 B14R1.5 CCC(=O)NCc1ccc(cc1)SC AIFCHEM-94526510727 [0,1,0,0,0,0|1,1,0]=3 11 B14R1.5 COc1ccc(cc1)CN[C@@H](C)CF AIFCHEM-6086424459 [0,1,0,0,0,0|2,0,1]=4 12 B14R1.5 COc1ccc(cc1)CN[C@H](C)CF AIFCHEM-6089430170 [0,1,0,0,0,0|2,0,1]=4 13 B14R1.103 COc1ccc(c(c1)C)CNC(C)C AIFCHEM-94520540584 [0,1,0,0,0,0|2,0,1]=4 14 B14R1.103 COc1ccc(c(c1)Cl)CNC(=O)C AIFCHEM-94535600299 [0,1,0,0,0,0|1,0,0]=2 15 B14R1.103 COc1ccc(c(c1)Cl)CNC(C)C AIFCHEM-94520540757 [0,1,0,0,0,0|2,0,1]=4 16 B14R1.103 COc1ccc(c(c1)O)CNC(=O)C AIFCHEM-94605347676 [0,1,0,0,0,0|1,0,0]=2 17 B14R1.103 COc1ccc(c(c1)O)CNC(C)C AIFCHEM-94520541505 [0,1,0,0,0,0|2,0,1]=4 18 B14R1.142 CC=Cc1ccc(cc1)CCC(=O)O AIFCHEM-6384002118 [0,1,0,0,0,0|3,0,0]=4 19 B14R1.142 CC=Cc1ccc(cc1)CNC(=O)C AIFCHEM-97289346002 [0,1,0,0,0,0|2,0,0]=3 20 B14R1.142 CC=Cc1ccc(cn1)CNC(=O)C AIFCHEM-92182318602 [0,1,0,0,0,0|3,0,0]=4 21 B14R1.142 CC=Cc1ccc(nc1)CNC(=O)C AIFCHEM-35985304441 [0,1,0,0,0,0|3,0,0]=4 22 B14R1.142 COCc1ccc(cc1)CNC(=O)C AIFCHEM-94596712100 [0,1,0,0,0,0|1,0,0]=2 23 B14R1.419 CC(=O)NCc1ccc(cc1)N(C)C AIFCHEM-94578080742 [0,1,0,0,0,0|2,0,0]=3 24 B14R1.3653 COc1ccc(cc1C)CNC(C)C AIFCHEM-94520539598 [0,1,0,0,0,0|2,0,1]=4 25 B14R1.3653 COc1ccc(cc1F)CNC(C)C AIFCHEM-94520539770 [0,1,0,0,0,0|2,0,1]=4 26 B14R1.3653 COc1ccc(cc1O)CNC(C)C AIFCHEM-94520541229 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.4 CCc1ccc(cc1)C=C(C)C AIFCHEM-6310436895 [0,0,0,0,1,0|2,0,1]=4 28 B12R1.4 COc1ccc(cn1)NC(=O)C AIFCHEM-5666168071 [0,0,0,0,1,0|2,0,0]=3 29 B12R1.4 COc1ccc(nc1)NC(=O)C AIFCHEM-94535588104 [0,0,0,0,1,0|2,0,0]=3 30 B12R1.4 COc1cnc(cn1)NC(=O)C AIFCHEM-94605354024 [0,0,0,0,1,0|3,0,0]=4 31 B12R1.4 CSc1ccc(cc1)C=C(C)C AIFCHEM-6350061194 [0,0,0,0,1,0|1,1,1]=4 32 B14R1.4 COc1ccc(cc1)CNCC(C)O AIFCHEM-6395624593 [0,0,0,0,0,1|1,0,2]=4 33 B14R1.4 COc1ccc(cc1)CNC[C@@H](C)O AIFCHEM-6509479764 [0,0,0,0,0,1|1,0,2]=4 34 B14R1.4 COc1ccc(cc1)CNC[C@H](C)O AIFCHEM-6500539475 [0,0,0,0,0,1|1,0,2]=4 35 B14R1.4 COc1ccc(cc1)NCCN(C)C AIFCHEM-94577700688 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.91 CC(=O)NCc1ccccn1 AIFCHEM-5686879180 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.83 CC=Cc1ccc(nc1)OC AIFCHEM-6304788304 [2,0,0,0,0,0|1,0,1]=4 38 B11R1.83 CCNc1ccc(cc1)OC AIFCHEM-94577704899 [2,0,0,0,0,0|1,0,1]=4 39 B13R1.14 CCC(=O)NCc1ccc(cc1)Br AIFCHEM-94526505617 [1,1,0,0,0,0|2,0,0]=4 40 B13R1.14 Cc1ccc(cn1)CNC(=O)CO AIFCHEM-94532683707 [1,1,0,0,0,0|2,0,0]=4 41 B13R1.132 CC(=O)NC(C)c1ccc(cc1)Br AIFCHEM-5787514248 [1,1,0,0,0,0|2,0,0]=4 42 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)Br AIFCHEM-94605351492 [1,1,0,0,0,0|2,0,0]=4 43 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)O AIFCHEM-94605335334 [1,1,0,0,0,0|1,0,0]=3 44 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br AIFCHEM-5772270039 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)O AIFCHEM-5627835211 [1,1,0,0,0,0|1,0,0]=3 46 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O AIFCHEM-5781434716 [1,1,0,0,0,0|1,0,0]=3 47 B13R1.164 CC(=O)NCc1ccc(cc1C)Br AIFCHEM-94574541023 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.164 CC(=O)NCc1ccc(cc1C)C AIFCHEM-94605357867 [1,1,0,0,0,0|1,0,0]=3 49 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Cl AIFCHEM-94535599161 [1,1,0,0,0,0|2,0,0]=4 50 B13R1.164 CC(=O)NCc1ccc(cc1F)C AIFCHEM-94535599453 [1,1,0,0,0,0|1,0,0]=3 51 B13R1.164 CC(=O)NCc1ccc(cc1O)Br AIFCHEM-94605348591 [1,1,0,0,0,0|2,0,0]=4 52 B13R1.164 CC(=O)NCc1ccc(cc1O)F AIFCHEM-94535600212 [1,1,0,0,0,0|2,0,0]=4 53 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Br AIFCHEM-94590031293 [1,1,0,0,0,0|2,0,0]=4 54 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)F AIFCHEM-5841829334 [1,1,0,0,0,0|2,0,0]=4 55 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Cl AIFCHEM-94605355739 [1,1,0,0,0,0|2,0,0]=4 56 B13R1.511 CC(=O)NCc1ccc(c(c1)O)F AIFCHEM-6047279791 [1,1,0,0,0,0|2,0,0]=4 57 B13R1.511 CC(=O)NCc1ccc(c(c1)O)O AIFCHEM-94535592243 [1,1,0,0,0,0|1,0,0]=3 58 B13R1.75 CCNCc1ccc(cc1C)OC AIFCHEM-94537800269 [1,1,0,0,0,0|1,0,1]=4 59 B13R1.75 CCNCc1ccc(cc1Cl)OC AIFCHEM-94537419141 [1,1,0,0,0,0|1,0,1]=4 60 B13R1.75 CCNCc1ccc(cc1O)OC AIFCHEM-94537417075 [1,1,0,0,0,0|1,0,1]=4 61 B13R1.77 CCNCc1ccc(cc1)COC AIFCHEM-94537414504 [1,1,0,0,0,0|1,0,1]=4 62 B13R1.371 CCCCNc1ccc(cc1)OC AIFCHEM-94523034235 [1,1,0,0,0,0|1,0,1]=4 63 B13R1.35 COc1ccc(cc1Br)NC(=O)C AIFCHEM-94535593158 [0,1,0,0,1,0|1,0,0]=3 64 B13R1.35 COc1ccc(cc1F)NC(=O)C AIFCHEM-94535595845 [0,1,0,0,1,0|1,0,0]=3 65 B13R1.35 COc1ncc(cc1Cl)NC(=O)C AIFCHEM-94535592042 [0,1,0,0,1,0|2,0,0]=4 66 B13R1.35 COc1ncc(cc1F)NC(=O)C AIFCHEM-5953332572 [0,1,0,0,1,0|2,0,0]=4 67 B13R1.36 COc1ccc(cc1)N(C)C(=O)C AIFCHEM-94605337723 [0,1,0,0,1,0|1,0,0]=3 68 B13R1.142 CCNc1ccc(cc1)OC(=O)C AIFCHEM-94537415026 [0,1,0,0,1,0|1,0,0]=3 69 B13R1.142 CCOc1ccc(cc1)NC(=O)C AIFCHEM-6140367110 [0,1,0,0,1,0|1,0,0]=3 70 B13R1.142 COCc1ccc(cc1)NC(=O)C AIFCHEM-5883450590 [0,1,0,0,1,0|1,0,0]=3 71 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C AIFCHEM-5627058688 [0,1,0,0,1,0|2,0,0]=4 72 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C AIFCHEM-94533790707 [0,1,0,0,1,0|2,0,0]=4 73 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C AIFCHEM-94605352062 [0,1,0,0,1,0|1,0,0]=3 74 B13R1.653 COc1ccc(c(c1)C)NC(=O)C AIFCHEM-94555828642 [0,1,0,0,1,0|1,0,0]=3 75 B15R1.205 COc1ccc(cc1)CNC(C)C(=O)N AIFCHEM-94533815969 [0,1,0,0,0,1|2,0,0]=4 76 B15R1.205 COc1ccc(cc1)CN[C@@H](C)C(=O)N AIFCHEM-94530165867 [0,1,0,0,0,1|2,0,0]=4 77 B15R1.205 COc1ccc(cc1)CN[C@@H](C)C(=O)O AIFCHEM-94576649568 [0,1,0,0,0,1|2,0,0]=4 78 B15R1.205 COc1ccc(cc1)CN[C@H](C)C(=O)N AIFCHEM-94551549891 [0,1,0,0,0,1|2,0,0]=4 79 B15R1.205 COc1ccc(cc1)CN[C@H](C)C(=O)O AIFCHEM-5951689113 [0,1,0,0,0,1|2,0,0]=4 80 B15R1.206 CNC(=O)CNCc1ccc(cc1)OC AIFCHEM-94562540536 [0,1,0,0,0,1|1,0,0]=3 81 B15R1.206 CNC(=O)CNCc1ccc(cn1)OC AIFCHEM-94562542314 [0,1,0,0,0,1|2,0,0]=4 82 B15R1.3778 COc1ccc(cc1Br)CNCC(=O)O AIFCHEM-5913241052 [0,1,0,0,0,1|2,0,0]=4 83 B15R1.2 CCc1ccc(cc1)C(CC)NC(=O)C AIFCHEM-5796117734 [0,2,0,0,0,0|2,0,0]=4 84 B15R1.2 CCc1ccc(cc1)[C@@H](CC)NC(=O)C AIFCHEM-94605337352 [0,2,0,0,0,0|2,0,0]=4 85 B15R1.2 CCc1ccc(cc1)[C@H](CC)NC(=O)C AIFCHEM-94535591176 [0,2,0,0,0,0|2,0,0]=4 86 B15R1.15 CC=Cc1ccc(cc1)C(C)NC(=O)C AIFCHEM-46723040830 [0,2,0,0,0,0|2,0,0]=4 87 B15R1.15 CC=Cc1ccc(cc1)[C@@H](C)NC(=O)C AIFCHEM-84818610109 [0,2,0,0,0,0|2,0,0]=4 88 B15R1.15 CC=Cc1ccc(cc1)[C@H](C)NC(=O)C AIFCHEM-92161057335 [0,2,0,0,0,0|2,0,0]=4 89 B15R1.3776 COc1ccc(cc1F)C(C)NC(=O)C AIFCHEM-94575815244 [0,2,0,0,0,0|1,0,0]=3 90 B15R1.3776 COc1ccc(cc1F)[C@@H](C)NC(=O)C AIFCHEM-94605342774 [0,2,0,0,0,0|1,0,0]=3 91 B15R1.16 CC=Cc1ccc(cc1)CN(C)C(=O)C AIFCHEM-46723024693 [0,2,0,0,0,0|2,0,0]=4 92 B15R1.208 CCN(Cc1ccc(cc1)OC)C(=O)C AIFCHEM-99353249670 [0,2,0,0,0,0|1,0,0]=3 93 B15R1.208 CCN(Cc1ccc(cc1)SC)C(=O)C AIFCHEM-99353273084 [0,2,0,0,0,0|1,1,0]=4 94 B15R1.208 CCN(Cc1ccc(nc1)OC)C(=O)C AIFCHEM-99350390058 [0,2,0,0,0,0|2,0,0]=4 95 B15R1.208 CCc1ccc(cc1)CN(CC)C(=O)C AIFCHEM-94685450501 [0,2,0,0,0,0|2,0,0]=4 96 B15R1.495 CC(=O)N(C)Cc1ccc(cc1)N(C)C AIFCHEM-94535589079 [0,2,0,0,0,0|2,0,0]=4 97 B15R1.18 CC=Cc1ccc(cc1)CNC(=O)CC AIFCHEM-97289273670 [0,2,0,0,0,0|2,0,0]=4 98 B15R1.18 CC=Cc1ccc(cc1)CNC(=O)CO AIFCHEM-35994011664 [0,2,0,0,0,0|2,0,0]=4 99 B15R1.18 COCc1ccc(cc1)CNC(=O)CO AIFCHEM-94596716217 [0,2,0,0,0,0|1,0,0]=3 100 B15R1.793 CCc1ccc(cc1)CNC(=O)CCO AIFCHEM-6252370911 [0,2,0,0,0,0|2,0,0]=4 101 B15R1.793 COc1ccc(cc1)CNC(=O)CC#N AIFCHEM-94559915867 [0,2,0,0,0,0|1,0,0]=3 102 B15R1.793 COc1ccc(cc1)CNC(=O)CCO AIFCHEM-6015844721 [0,2,0,0,0,0|1,0,0]=3 103 B15R1.793 COc1ccc(cn1)CNC(=O)CC#N AIFCHEM-94575031768 [0,2,0,0,0,0|2,0,0]=4 104 B15R1.793 COc1ccc(cn1)CNC(=O)CSC AIFCHEM-94575030610 [0,2,0,0,0,0|2,0,0]=4 105 B15R1.956 CCC(=O)NCc1ccc(cc1)N(C)C AIFCHEM-94526504136 [0,2,0,0,0,0|2,0,0]=4 106 B15R1.956 CN(C)c1ccc(cc1)CNC(=O)CO AIFCHEM-94532679341 [0,2,0,0,0,0|2,0,0]=4 107 B15R1.1856 C#CC(=O)NCc1ccc(cc1O)OC AIFCHEM-94525195313 [0,2,0,0,0,0|1,0,1]=4 108 B15R1.1856 CCC(=O)NCc1ccc(cc1O)OC AIFCHEM-94526503760 [0,2,0,0,0,0|1,0,0]=3 109 B15R1.1856 COc1ccc(c(c1)O)CNC(=O)CO AIFCHEM-94532678965 [0,2,0,0,0,0|1,0,0]=3 110 B15R1.3779 C#CC(=O)NCc1ccc(c(c1)Cl)OC AIFCHEM-94525198872 [0,2,0,0,0,0|1,0,1]=4 111 B15R1.3779 C#CC(=O)NCc1ccc(c(c1)F)OC AIFCHEM-94525192546 [0,2,0,0,0,0|1,0,1]=4 112 B15R1.3779 CCC(=O)NCc1ccc(c(c1)F)OC AIFCHEM-94526500993 [0,2,0,0,0,0|1,0,0]=3 113 B15R1.3779 COc1ccc(cc1Br)CNC(=O)CO AIFCHEM-94532675047 [0,2,0,0,0,0|1,0,0]=3 114 B15R1.3779 COc1ccc(cc1Cl)CNC(=O)CO AIFCHEM-94532675167 [0,2,0,0,0,0|1,0,0]=3 115 B15R1.596 CC=Cc1ccc(c(c1)C)CNC(=O)C AIFCHEM-46994782774 [0,2,0,0,0,0|2,0,0]=4 116 B15R1.596 CC=Cc1ccc(c(c1)F)CNC(=O)C AIFCHEM-46994769248 [0,2,0,0,0,0|2,0,0]=4 117 B15R1.596 CC=Cc1ccc(c(c1)O)CNC(=O)C AIFCHEM-98308189201 [0,2,0,0,0,0|2,0,0]=4 118 B15R1.56 CC(=O)NCc1ccc(cc1)C=CCO AIFCHEM-94624016020 [0,2,0,0,0,0|2,0,0]=4 119 B15R1.499 CC(=O)NCc1ccc(cc1)C=C(C)C AIFCHEM-95037259178 [0,2,0,0,0,0|2,0,0]=4 120 B15R1.499 CC(=O)NCc1ccc(nc1)OC(F)F AIFCHEM-5809220080 [0,2,0,0,0,0|2,0,0]=4 121 B15R1.944 C/C=C(\C)/c1ccc(cc1)CNC(=O)C AIFCHEM-100070573298 [0,2,0,0,0,0|2,0,0]=4 122 B15R1.944 CC=C(C)c1ccc(cc1)CNC(=O)C AIFCHEM-47004156537 [0,2,0,0,0,0|2,0,0]=4 123 B15R1.944 COC(=O)c1ccc(cc1)CNC(=O)C AIFCHEM-94605354827 [0,2,0,0,0,0|1,0,0]=3 124 B15R1.9550 CC=Cc1ccc(cc1C)CNC(=O)C AIFCHEM-40379011922 [0,2,0,0,0,0|2,0,0]=4 125 B15R1.9550 CC=Cc1ccc(cc1F)CNC(=O)C AIFCHEM-46723008841 [0,2,0,0,0,0|2,0,0]=4 126 B15R1.498 CC(=O)NCc1ccc(cc1)C(C)(C)C AIFCHEM-6209473917 [0,2,0,0,0,0|2,0,0]=4 127 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C AIFCHEM-94605354390 [0,2,0,0,0,0|1,0,0]=3 128 B15R2.4834 COc1ccc2c(c1)CN(C2)C(=O)C AIFCHEM-5766170582 [0,1,0,1,0,0|1,0,0]=3 129 B15R2.1282 CC=Cc1ccc2c(c1)CC(=O)NC2 AIFCHEM-6297085892 [0,1,0,1,0,0|2,0,0]=4 130 B11R1.20 CC(=O)Nc1ccc(cn1)C AIFCHEM-5874295902 [1,0,0,0,1,0|2,0,0]=4 131 B11R1.75 CC(=O)NCc1ccc(s1)C AIFCHEM-94561602504 [1,0,0,0,1,0|2,0,0]=4 132 B15R1.4 COc1ccc(cc1)OCCNC(=O)C AIFCHEM-94605353674 [0,0,0,0,0,2|1,0,0]=3