0 B12R1.4 CC(=O)Nc1cnc(nc1)C#N AIFCHEM-94535597577 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.4 CCc1ccc(cc1)C=C(C)C AIFCHEM-6310436895 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.4 COc1ccc(cn1)NC(=O)C AIFCHEM-5666168071 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.4 COc1ccc(nc1)NC(=O)C AIFCHEM-94535588104 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.4 COc1cnc(cn1)NC(=O)C AIFCHEM-94605354024 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.4 CSc1ccc(cc1)C=C(C)C AIFCHEM-6350061194 [0,0,0,0,0,0|2,1,0]=3 6 B11R1.20 CC(=O)Nc1ccc(cn1)C AIFCHEM-5874295902 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.20 CC(=O)Nc1cnc(nc1)C AIFCHEM-94535596160 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.83 CC=Cc1ccc(cc1)C#N AIFCHEM-6320108023 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.83 CC=Cc1ccc(nc1)OC AIFCHEM-6304788304 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.83 CC=Cc1cnc(nc1)OC AIFCHEM-6405006277 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.83 CC=Cc1ncc(cn1)OC AIFCHEM-6376224948 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.83 CCNc1ccc(cc1)OC AIFCHEM-94577704899 [1,0,0,0,0,0|0,0,1]=2 13 B11R1.83 CCNc1ccc(cn1)CC AIFCHEM-94537417754 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.83 CCNc1cnc(nc1)OC AIFCHEM-94537422951 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.5 C#CC(=O)Nc1ccc(cc1)SC AIFCHEM-94525190848 [0,1,0,0,0,0|0,1,1]=3 16 B13R1.5 C#CC(=O)Nc1ccc(cn1)OC AIFCHEM-94525190579 [0,1,0,0,0,0|1,0,1]=3 17 B13R1.5 CCC(=O)Nc1ccc(nc1)C#N AIFCHEM-94526508389 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.5 CCc1ccc(cc1)NC(C)CO AIFCHEM-5786194468 [0,1,0,0,0,0|1,0,2]=4 19 B13R1.5 COc1ccc(cc1)NC(C)CO AIFCHEM-94577699851 [0,1,0,0,0,0|0,0,2]=3 20 B13R1.5 CSc1ccc(cn1)NC(=O)CO AIFCHEM-94532681260 [0,1,0,0,0,0|1,1,0]=3 21 B13R1.5 CSc1ncc(cn1)NC(=O)CO AIFCHEM-94608021507 [0,1,0,0,0,0|2,1,0]=4 22 B13R1.35 CC(=O)Nc1ccc(c(c1)Br)C#N AIFCHEM-94535597235 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.35 COc1ccc(cc1Br)NC(=O)C AIFCHEM-94535593158 [0,1,0,0,0,0|0,0,0]=1 24 B13R1.35 COc1ccc(cc1F)NC(=O)C AIFCHEM-94535595845 [0,1,0,0,0,0|0,0,0]=1 25 B13R1.35 COc1ccc(nc1C)C=C(C)C AIFCHEM-6428371443 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.35 COc1ncc(cc1Cl)NC(=O)C AIFCHEM-94535592042 [0,1,0,0,0,0|1,0,0]=2 27 B13R1.35 COc1ncc(cc1F)NC(=O)C AIFCHEM-5953332572 [0,1,0,0,0,0|1,0,0]=2 28 B13R1.35 COc1ncc(cc1O)C=C(C)C AIFCHEM-6295677022 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.36 CC(=O)N(C)c1ccc(cc1)C#N AIFCHEM-94535596731 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.36 COc1ccc(cc1)N(C)C(=O)C AIFCHEM-94605337723 [0,1,0,0,0,0|0,0,0]=1 31 B13R1.142 CC(=Cc1ccc(cc1)CCO)C AIFCHEM-6309537143 [0,1,0,0,0,0|3,0,0]=4 32 B13R1.142 CC=Cc1cnc(nc1)NC(=O)C AIFCHEM-6330225159 [0,1,0,0,0,0|3,0,0]=4 33 B13R1.142 CC=Cc1ncc(cn1)NC(=O)C AIFCHEM-97289308326 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.142 CCCc1ccc(cc1)C=C(C)C AIFCHEM-6304430652 [0,1,0,0,0,0|3,0,0]=4 35 B13R1.142 CCNc1ccc(cc1)OC(=O)C AIFCHEM-94537415026 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.142 CCOc1ccc(cc1)NC(=O)C AIFCHEM-6140367110 [0,1,0,0,0,0|0,0,0]=1 37 B13R1.142 CCOc1ncc(cn1)NC(=O)C AIFCHEM-94605355837 [0,1,0,0,0,0|2,0,0]=3 38 B13R1.142 CNCc1ccc(cc1)C=C(C)C AIFCHEM-5861088503 [0,1,0,0,0,0|3,0,0]=4 39 B13R1.142 COCc1ccc(cc1)NC(=O)C AIFCHEM-5883450590 [0,1,0,0,0,0|0,0,0]=1 40 B13R1.585 CC(=O)Nc1ccc(cc1)C(=S)N AIFCHEM-94605353431 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C AIFCHEM-5627058688 [0,1,0,0,0,0|1,0,0]=2 42 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C AIFCHEM-94533790707 [0,1,0,0,0,0|1,0,0]=2 43 B13R1.585 CC(=O)Nc1ccc(cn1)C(=O)N AIFCHEM-6065137375 [0,1,0,0,0,0|3,0,0]=4 44 B13R1.585 CC(=O)Nc1ccc(nc1)N(C)C AIFCHEM-94605353539 [0,1,0,0,0,0|2,0,0]=3 45 B13R1.653 COc1cc(c(cn1)C=C(C)C)F AIFCHEM-6351550836 [0,1,0,0,0,0|3,0,0]=4 46 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C AIFCHEM-94605352062 [0,1,0,0,0,0|0,0,0]=1 47 B13R1.653 COc1ccc(c(c1)C)NC(=O)C AIFCHEM-94555828642 [0,1,0,0,0,0|0,0,0]=1 48 B13R1.653 COc1cnc(c(c1)N)C=C(C)C AIFCHEM-6317177875 [0,1,0,0,0,0|3,0,0]=4 49 B13R1.653 CSc1ccc(c(c1)C)C=C(C)C AIFCHEM-6391590429 [0,1,0,0,0,0|2,1,0]=4 50 B13R2.1279 CC(=Cc1ccc2c(c1)CC2)C AIFCHEM-6350037789 [0,0,0,1,0,0|3,0,0]=4 51 B11R1.43 CC(=O)Nc1ccc(s1)C#N AIFCHEM-94535597157 [0,0,0,0,1,0|3,0,0]=4 52 B11R1.43 COc1nsc(n1)NC(=O)C AIFCHEM-94605358170 [0,0,0,0,1,0|3,0,0]=4 53 B11R1.43 CSc1cc([nH]n1)NC(=O)C AIFCHEM-94535589279 [0,0,0,0,1,0|2,1,0]=4 54 B13R1.3 CC(=O)NCc1ccc(cc1)C#N AIFCHEM-94535592120 [0,0,0,0,0,1|2,0,0]=3 55 B13R1.3 CC(=O)NCc1ccc(nc1)C#N AIFCHEM-94535592930 [0,0,0,0,0,1|3,0,0]=4 56 B13R1.3 CCc1ccc(cc1)CNC(=O)C AIFCHEM-94605355910 [0,0,0,0,0,1|1,0,0]=2 57 B13R1.3 CCc1ccc(cc1)CNC(C)C AIFCHEM-94520540364 [0,0,0,0,0,1|2,0,1]=4 58 B13R1.3 COc1ccc(cc1)NCC(C)C AIFCHEM-94577704988 [0,0,0,0,0,1|1,0,1]=3 59 B13R1.3 CSc1ccc(cc1)CNC(C)C AIFCHEM-94520539708 [0,0,0,0,0,1|1,1,1]=4 60 B10R1.1 CC=Cc1ccc(cc1)N AIFCHEM-94608719473 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.1 CCNc1ccc(cc1)C AIFCHEM-94537411875 [2,0,0,0,0,0|0,0,1]=3 62 B10R1.1 CCNc1ccc(nc1)O AIFCHEM-94537412774 [2,0,0,0,0,0|1,0,1]=4 63 B10R1.18 CC(=Cc1ccccc1)C AIFCHEM-6323250098 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.18 CC(=O)Nc1cccnn1 AIFCHEM-5873465756 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.18 CC(=O)Nc1ccncc1 AIFCHEM-94535587956 [2,0,0,0,0,0|1,0,0]=3 66 B10R1.18 CC(=O)Nc1ccnnc1 AIFCHEM-5598224670 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.18 CC(=O)Nc1cncnc1 AIFCHEM-94605354528 [2,0,0,0,0,0|2,0,0]=4 68 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C AIFCHEM-6398326996 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.19 CC(=O)Nc1cc(c(cn1)Br)Br AIFCHEM-94605356739 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.19 CC(=O)Nc1cc(c(cn1)Br)Cl AIFCHEM-94535601192 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.19 CC(=O)Nc1cc(c(cn1)F)F AIFCHEM-94605341730 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br AIFCHEM-5608066263 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O AIFCHEM-94527206242 [1,1,0,0,0,0|0,0,0]=2 74 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br AIFCHEM-6168829856 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F AIFCHEM-94535595851 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I AIFCHEM-94605355198 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl AIFCHEM-6020088654 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.19 CC(=O)Nc1ccc(c(c1)I)O AIFCHEM-94605357326 [1,1,0,0,0,0|0,0,0]=2 79 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O AIFCHEM-94535592055 [1,1,0,0,0,0|0,0,0]=2 80 B12R1.19 CC(=O)Nc1ccc(c(n1)C)I AIFCHEM-94605355975 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.19 CC(=O)Nc1ccn(c(=O)c1)C AIFCHEM-94605344697 [1,1,0,0,0,0|1,0,0]=3 82 B12R1.19 CC(=O)Nc1cnc(c(c1)Cl)C AIFCHEM-94535600626 [1,1,0,0,0,0|1,0,0]=3 83 B12R1.19 CC(=O)Nc1cnc(c(n1)Br)C AIFCHEM-94605355904 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.20 CC(=O)N(C)c1ccc(cc1)I AIFCHEM-5731761315 [1,1,0,0,0,0|1,0,0]=3 85 B12R1.20 CC(=O)N(C)c1ccc(nc1)C AIFCHEM-5897531248 [1,1,0,0,0,0|1,0,0]=3 86 B12R1.49 C#CC(=O)Nc1ccc(cc1)Br AIFCHEM-94608726591 [1,1,0,0,0,0|1,0,1]=4 87 B12R1.49 C#CC(=O)Nc1ccc(cc1)Cl AIFCHEM-94586018469 [1,1,0,0,0,0|1,0,1]=4 88 B12R1.49 C#CC(=O)Nc1ccc(cc1)O AIFCHEM-94525200720 [1,1,0,0,0,0|0,0,1]=3 89 B12R1.49 C#CC(=O)Nc1ccc(cn1)C AIFCHEM-94525194607 [1,1,0,0,0,0|1,0,1]=4 90 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl AIFCHEM-94526499445 [1,1,0,0,0,0|1,0,0]=3 91 B12R1.49 CCC(=O)Nc1ccc(cn1)Br AIFCHEM-94526499500 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.49 CCC(=O)Nc1ccc(cn1)O AIFCHEM-94526508419 [1,1,0,0,0,0|1,0,0]=3 93 B12R1.49 CCC(=O)Nc1cnc(nc1)C AIFCHEM-94526507082 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.49 Cc1ccc(nn1)NC(=O)CO AIFCHEM-94532679169 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.49 Cc1ncc(cn1)NC(=O)CO AIFCHEM-94532682287 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.49 O=C(CO)Nc1ccc(cc1)I AIFCHEM-94532683447 [1,1,0,0,0,0|1,0,0]=3 97 B12R1.49 O=C(CO)Nc1ccc(cc1)O AIFCHEM-94532676141 [1,1,0,0,0,0|0,0,0]=2 98 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br AIFCHEM-94544669425 [1,1,0,0,0,0|1,0,0]=3 99 B12R1.233 CC(=O)Nc1ccc(cc1Br)I AIFCHEM-6165339609 [1,1,0,0,0,0|1,0,0]=3 100 B12R1.233 CC(=O)Nc1ccc(cc1C)I AIFCHEM-6211268315 [1,1,0,0,0,0|1,0,0]=3 101 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O AIFCHEM-94588750029 [1,1,0,0,0,0|0,0,0]=2 102 B12R1.233 CC(=O)Nc1ccc(cc1F)Br AIFCHEM-94536063608 [1,1,0,0,0,0|1,0,0]=3 103 B12R1.233 CC(=O)Nc1ccc(cc1F)O AIFCHEM-94576186146 [1,1,0,0,0,0|0,0,0]=2 104 B12R1.233 CC(=O)Nc1ccc(cc1I)Br AIFCHEM-6059213040 [1,1,0,0,0,0|1,0,0]=3 105 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl AIFCHEM-94605351667 [1,1,0,0,0,0|1,0,0]=3 106 B12R1.233 CC(=O)Nc1cnc(nc1Cl)C AIFCHEM-94605348859 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.233 CC(=O)Nc1ncc(cc1F)Br AIFCHEM-94535599263 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.5 C/C=C(\C)/c1ccc(cc1)SC AIFCHEM-94584209307 [1,1,0,0,0,0|1,1,0]=4 109 B12R1.5 CCN(C)c1ccc(cc1)OC AIFCHEM-94537411832 [1,1,0,0,0,0|0,0,1]=3 110 B12R1.71 CCCNc1ccc(cc1)OC AIFCHEM-94569015005 [1,1,0,0,0,0|0,0,1]=3 111 B12R1.71 COc1ccc(cn1)C=CCO AIFCHEM-6336731333 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.71 CSc1ccc(cc1)C=CCO AIFCHEM-6381160487 [1,1,0,0,0,0|1,1,0]=4 113 B12R1.113 CC=Cc1ccc(cc1)N(C)C AIFCHEM-6355524594 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.113 CCNc1ccc(cc1)C(C)O AIFCHEM-94537415613 [1,1,0,0,0,0|1,0,1]=4 115 B12R1.113 CCNc1ccc(cc1)N(C)C AIFCHEM-94537418001 [1,1,0,0,0,0|1,0,1]=4 116 B12R1.114 CC=Cc1ccc(cc1C)NC AIFCHEM-6231664050 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.114 CC=Cc1ncc(cc1F)OC AIFCHEM-6350006579 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.114 CCNc1ccc(cc1Br)OC AIFCHEM-94537420206 [1,1,0,0,0,0|0,0,1]=3 119 B12R1.114 CCNc1ccc(cc1C)OC AIFCHEM-94537414605 [1,1,0,0,0,0|0,0,1]=3 120 B12R1.114 CCNc1ccc(cc1Cl)OC AIFCHEM-94537419817 [1,1,0,0,0,0|0,0,1]=3 121 B12R1.114 CCNc1ccc(cc1F)OC AIFCHEM-94537421843 [1,1,0,0,0,0|0,0,1]=3 122 B12R1.114 CCNc1ccc(cc1I)OC AIFCHEM-94537417491 [1,1,0,0,0,0|0,0,1]=3 123 B12R1.114 CCNc1ccc(cc1O)OC AIFCHEM-94537421384 [1,1,0,0,0,0|0,0,1]=3 124 B12R1.114 CCNc1ccc(nc1C)OC AIFCHEM-94537422372 [1,1,0,0,0,0|1,0,1]=4 125 B12R1.116 CC=Cc1ccc(nc1)OCC AIFCHEM-6353407578 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.116 CCNc1ccc(cc1)CCO AIFCHEM-94537411685 [1,1,0,0,0,0|1,0,1]=4 127 B12R1.116 CCNc1ccc(cc1)OCC AIFCHEM-94537423900 [1,1,0,0,0,0|0,0,1]=3 128 B12R1.116 CCNc1ccc(nc1)OCC AIFCHEM-94537422370 [1,1,0,0,0,0|1,0,1]=4 129 B12R1.288 CC=Cc1cc(=O)c(c[nH]1)OC AIFCHEM-6294545198 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.288 CC=Cc1cc(c(cn1)OC)N AIFCHEM-6334757480 [1,1,0,0,0,0|2,0,0]=4 131 B12R1.288 CC=Cc1ccc(c(c1)F)NC AIFCHEM-5767755365 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.288 CCNc1ccc(c(c1)Br)OC AIFCHEM-94537417464 [1,1,0,0,0,0|0,0,1]=3 133 B12R1.288 CCNc1ccc(c(c1)C)OC AIFCHEM-94537414806 [1,1,0,0,0,0|0,0,1]=3 134 B12R1.288 CCNc1ccc(c(c1)Cl)CC AIFCHEM-94537422209 [1,1,0,0,0,0|1,0,1]=4 135 B12R1.288 CCNc1ccc(c(c1)Cl)OC AIFCHEM-94537422558 [1,1,0,0,0,0|0,0,1]=3 136 B12R1.288 CCNc1ccc(c(c1)F)OC AIFCHEM-94537420801 [1,1,0,0,0,0|0,0,1]=3 137 B12R1.288 CCNc1ccc(c(c1)I)OC AIFCHEM-94537425038 [1,1,0,0,0,0|0,0,1]=3 138 B12R1.288 CCNc1ccc(c(c1)O)OC AIFCHEM-94537416616 [1,1,0,0,0,0|0,0,1]=3 139 B12R1.288 CCNc1cnc(c(c1)Br)OC AIFCHEM-94537422503 [1,1,0,0,0,0|1,0,1]=4 140 B12R1.182 CC=Cc1ccc(s1)NC(=O)C AIFCHEM-6475076561 [0,1,0,0,1,0|2,0,0]=4 141 B14R1.2 CCc1ccc(cc1)C(C)NC(=O)C AIFCHEM-5917838286 [0,1,0,0,0,1|1,0,0]=3 142 B14R1.2 COc1ccc(cc1)C(=O)NC(C)C AIFCHEM-94520542936 [0,1,0,0,0,1|1,0,1]=4 143 B14R1.2 COc1ccc(cc1)N(C)CC(C)C AIFCHEM-94572982672 [0,1,0,0,0,1|1,0,1]=4 144 B14R1.2 COc1ccc(cn1)[C@H](C)NC(=O)C AIFCHEM-5790646008 [0,1,0,0,0,1|1,0,0]=3 145 B14R1.3 COc1ccc(cc1)NC(C)C(C)O AIFCHEM-94547068173 [0,1,0,0,0,1|0,0,2]=4 146 B14R1.5 C#CC(=O)NCc1ccc(cc1)OC AIFCHEM-94525196876 [0,1,0,0,0,1|0,0,1]=3 147 B14R1.5 CCC(=O)NCc1ccc(cc1)SC AIFCHEM-94526510727 [0,1,0,0,0,1|0,1,0]=3 148 B14R1.5 CCC(C)CNc1ccc(cc1)OC AIFCHEM-6177862004 [0,1,0,0,0,1|1,0,1]=4 149 B14R1.5 COc1ccc(cc1)CN[C@@H](C)CF AIFCHEM-6086424459 [0,1,0,0,0,1|1,0,1]=4 150 B14R1.5 COc1ccc(cc1)CN[C@H](C)CF AIFCHEM-6089430170 [0,1,0,0,0,1|1,0,1]=4 151 B14R1.5 COc1ccc(cc1)NCC(O)CO AIFCHEM-6177815674 [0,1,0,0,0,1|0,0,2]=4 152 B14R1.5 COc1ccc(cc1)NC[C@H](O)CO AIFCHEM-94577703323 [0,1,0,0,0,1|0,0,2]=4 153 B14R1.103 COc1ccc(c(c1)Br)NCC(C)C AIFCHEM-94572979543 [0,1,0,0,0,1|1,0,1]=4 154 B14R1.103 COc1ccc(c(c1)C)CNC(C)C AIFCHEM-94520540584 [0,1,0,0,0,1|1,0,1]=4 155 B14R1.103 COc1ccc(c(c1)C)NCC(C)C AIFCHEM-94555826002 [0,1,0,0,0,1|1,0,1]=4 156 B14R1.103 COc1ccc(c(c1)Cl)CNC(=O)C AIFCHEM-94535600299 [0,1,0,0,0,1|0,0,0]=2 157 B14R1.103 COc1ccc(c(c1)Cl)CNC(C)C AIFCHEM-94520540757 [0,1,0,0,0,1|1,0,1]=4 158 B14R1.103 COc1ccc(c(c1)Cl)NCC(C)C AIFCHEM-94572979154 [0,1,0,0,0,1|1,0,1]=4 159 B14R1.103 COc1ccc(c(c1)F)NCC(C)C AIFCHEM-94572981180 [0,1,0,0,0,1|1,0,1]=4 160 B14R1.103 COc1ccc(c(c1)I)NCC(C)C AIFCHEM-94572976828 [0,1,0,0,0,1|1,0,1]=4 161 B14R1.103 COc1ccc(c(c1)O)CNC(=O)C AIFCHEM-94605347676 [0,1,0,0,0,1|0,0,0]=2 162 B14R1.103 COc1ccc(c(c1)O)CNC(C)C AIFCHEM-94520541505 [0,1,0,0,0,1|1,0,1]=4 163 B14R1.103 COc1ccc(c(c1)O)NCC(C)C AIFCHEM-94605498797 [0,1,0,0,0,1|1,0,1]=4 164 B14R1.142 CC=Cc1ccc(cc1)CNC(=O)C AIFCHEM-97289346002 [0,1,0,0,0,1|1,0,0]=3 165 B14R1.142 CC=Cc1ccc(cc1)NCC(=O)O AIFCHEM-6187796965 [0,1,0,0,0,1|2,0,0]=4 166 B14R1.142 CC=Cc1ccc(cn1)CNC(=O)C AIFCHEM-92182318602 [0,1,0,0,0,1|2,0,0]=4 167 B14R1.142 CC=Cc1ccc(nc1)CNC(=O)C AIFCHEM-35985304441 [0,1,0,0,0,1|2,0,0]=4 168 B14R1.142 CCOc1ccc(cc1)NCC(C)C AIFCHEM-94572983237 [0,1,0,0,0,1|1,0,1]=4 169 B14R1.142 COCc1ccc(cc1)CNC(=O)C AIFCHEM-94596712100 [0,1,0,0,0,1|0,0,0]=2 170 B14R1.419 CC(=O)NCc1ccc(cc1)N(C)C AIFCHEM-94578080742 [0,1,0,0,0,1|1,0,0]=3 171 B14R1.3653 COc1ccc(cc1Br)NCC(C)C AIFCHEM-94572976801 [0,1,0,0,0,1|1,0,1]=4 172 B14R1.3653 COc1ccc(cc1C)CNC(C)C AIFCHEM-94520539598 [0,1,0,0,0,1|1,0,1]=4 173 B14R1.3653 COc1ccc(cc1C)NCC(C)C AIFCHEM-94572974143 [0,1,0,0,0,1|1,0,1]=4 174 B14R1.3653 COc1ccc(cc1Cl)NCC(C)C AIFCHEM-94572983174 [0,1,0,0,0,1|1,0,1]=4 175 B14R1.3653 COc1ccc(cc1F)CNC(C)C AIFCHEM-94520539770 [0,1,0,0,0,1|1,0,1]=4 176 B14R1.3653 COc1ccc(cc1F)NCC(C)C AIFCHEM-94572980138 [0,1,0,0,0,1|1,0,1]=4 177 B14R1.3653 COc1ccc(cc1I)NCC(C)C AIFCHEM-94572984375 [0,1,0,0,0,1|1,0,1]=4 178 B14R1.3653 COc1ccc(cc1O)CNC(C)C AIFCHEM-94520541229 [0,1,0,0,0,1|1,0,1]=4 179 B14R1.3653 COc1ccc(cc1O)NCC(C)C AIFCHEM-94572975953 [0,1,0,0,0,1|1,0,1]=4 180 B14R1.23 CCNc1ccc(cc1)NS(=O)(=O)C AIFCHEM-94537422508 [0,2,0,0,0,0|2,0,0]=4 181 B14R1.6 CCC(CC)Nc1ccc(cc1)OC AIFCHEM-94538318677 [0,2,0,0,0,0|1,0,1]=4 182 B14R1.6 COc1ccc(cc1)NC(CO)CO AIFCHEM-94577705902 [0,2,0,0,0,0|0,0,2]=4 183 B14R1.7 C#CC(=O)N(C)c1ccc(cc1)OC AIFCHEM-94525190960 [0,2,0,0,0,0|0,0,1]=3 184 B14R1.24 C#CC(=O)Nc1ccc(cc1)CCC AIFCHEM-94525197275 [0,2,0,0,0,0|1,0,1]=4 185 B14R1.24 C#CC(=O)Nc1ccc(cc1)OCC AIFCHEM-94525200807 [0,2,0,0,0,0|0,0,1]=3 186 B14R1.24 CC=Cc1ccc(cc1)NC(=O)CC AIFCHEM-98308197729 [0,2,0,0,0,0|1,0,0]=3 187 B14R1.24 CC=Cc1ccc(cc1)NC(=O)CO AIFCHEM-97289304207 [0,2,0,0,0,0|1,0,0]=3 188 B14R1.24 CCC(=O)Nc1ccc(cc1)COC AIFCHEM-94526510598 [0,2,0,0,0,0|0,0,0]=2 189 B14R1.24 CCCc1ccc(cc1)NC(=O)CC AIFCHEM-94535645846 [0,2,0,0,0,0|1,0,0]=3 190 B14R1.24 CCOc1ccc(cn1)NC(=O)CO AIFCHEM-94532683237 [0,2,0,0,0,0|1,0,0]=3 191 B14R1.24 COCc1ccc(cc1)NC(C)CO AIFCHEM-5833842315 [0,2,0,0,0,0|0,0,2]=4 192 B14R1.954 C#CCC(=O)Nc1ccc(cc1)C#C AIFCHEM-6260466964 [0,2,0,0,0,0|1,0,1]=4 193 B14R1.954 C#CCC(=O)Nc1ccc(cc1)OC AIFCHEM-94577710243 [0,2,0,0,0,0|0,0,0]=2 194 B14R1.954 C#CCC(=O)Nc1cnc(nc1)OC AIFCHEM-5595144680 [0,2,0,0,0,0|2,0,0]=4 195 B14R1.954 CC#CC(=O)Nc1ccc(cc1)SC AIFCHEM-5795155622 [0,2,0,0,0,0|0,1,0]=3 196 B14R1.954 CC#CC(=O)Nc1ccc(cn1)SC AIFCHEM-6190522061 [0,2,0,0,0,0|1,1,0]=4 197 B14R1.954 CC#CC(=O)Nc1ccc(nc1)OC AIFCHEM-5606758437 [0,2,0,0,0,0|1,0,0]=3 198 B14R1.954 CCCC(C)Nc1ccc(cc1)OC AIFCHEM-94606114654 [0,2,0,0,0,0|1,0,1]=4 199 B14R1.954 CCc1ccc(nc1)NC(=O)CC#N AIFCHEM-94559914856 [0,2,0,0,0,0|2,0,0]=4 200 B14R1.954 COCC(=O)Nc1ccc(cn1)SC AIFCHEM-6200863476 [0,2,0,0,0,0|1,1,0]=4 201 B14R1.954 COc1ccc(nn1)NC(=O)CSC AIFCHEM-94576875709 [0,2,0,0,0,0|2,0,0]=4 202 B14R1.954 CSCC(=O)Nc1ccc(cc1)C#N AIFCHEM-5673694420 [0,2,0,0,0,0|2,0,0]=4 203 B14R1.954 CSCC(=O)Nc1ccc(cn1)SC AIFCHEM-6255313465 [0,2,0,0,0,0|1,1,0]=4 204 B14R1.2879 C#CC(=O)Nc1ccc(cc1)N(C)C AIFCHEM-94525199751 [0,2,0,0,0,0|1,0,1]=4 205 B14R1.2879 CC(=O)c1ccc(nc1)NC(=O)CO AIFCHEM-94532679513 [0,2,0,0,0,0|2,0,0]=4 206 B14R1.2879 CC(C)c1ccc(nc1)NC(=O)CO AIFCHEM-94532684067 [0,2,0,0,0,0|2,0,0]=4 207 B14R1.2879 CCC(=O)Nc1ccc(cc1)N(C)C AIFCHEM-94533793599 [0,2,0,0,0,0|1,0,0]=3 208 B14R1.2879 CCC(=O)Nc1ccc(nc1)C(=O)C AIFCHEM-94526507973 [0,2,0,0,0,0|2,0,0]=4 209 B14R1.2879 CN(C)c1ccc(cc1)NC(=O)CO AIFCHEM-94532684323 [0,2,0,0,0,0|1,0,0]=3 210 B14R1.2879 CN(C)c1ccc(cn1)NC(=O)CO AIFCHEM-94606853606 [0,2,0,0,0,0|2,0,0]=4 211 B14R1.2879 NC(=O)c1ccc(cc1)NC(=O)CO AIFCHEM-94532681083 [0,2,0,0,0,0|2,0,0]=4 212 B14R1.3276 C#CC(=O)Nc1ccc(c(c1)Br)OC AIFCHEM-94525195633 [0,2,0,0,0,0|0,0,1]=3 213 B14R1.3276 C#CC(=O)Nc1ccc(c(c1)O)OC AIFCHEM-94525194917 [0,2,0,0,0,0|0,0,1]=3 214 B14R1.3276 C#Cc1ccc(cc1Cl)NC(=O)CO AIFCHEM-94532685791 [0,2,0,0,0,0|1,0,1]=4 215 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Br)C#N AIFCHEM-94526508157 [0,2,0,0,0,0|2,0,0]=4 216 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)CC AIFCHEM-94526507897 [0,2,0,0,0,0|1,0,0]=3 217 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)OC AIFCHEM-94526508175 [0,2,0,0,0,0|0,0,0]=2 218 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)OC AIFCHEM-94526506767 [0,2,0,0,0,0|0,0,0]=2 219 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)SC AIFCHEM-94526504620 [0,2,0,0,0,0|0,1,0]=3 220 B14R1.3276 CCC(=O)Nc1ccc(c(c1)I)OC AIFCHEM-94526510153 [0,2,0,0,0,0|0,0,0]=2 221 B14R1.3276 CCC(=O)Nc1ccn(c(=O)c1)CC AIFCHEM-94526502800 [0,2,0,0,0,0|2,0,0]=4 222 B14R1.3276 CCC(=O)Nc1cnc(c(c1)Br)CC AIFCHEM-94526502166 [0,2,0,0,0,0|2,0,0]=4 223 B14R1.3276 COc1ccc(cc1Cl)NC(C)CO AIFCHEM-94602534987 [0,2,0,0,0,0|0,0,2]=4 224 B14R1.3276 COc1ncc(cc1Cl)NC(=O)CO AIFCHEM-94532678169 [0,2,0,0,0,0|1,0,0]=3 225 B14R1.3276 N#Cc1ccc(cc1Br)NC(=O)CO AIFCHEM-94532683362 [0,2,0,0,0,0|2,0,0]=4 226 B14R1.3276 N#Cc1ccc(cc1Cl)NC(=O)CO AIFCHEM-94532679843 [0,2,0,0,0,0|2,0,0]=4 227 B14R1.3714 C#CC(=O)Nc1ccc(cc1Br)CC AIFCHEM-94525198510 [0,2,0,0,0,0|1,0,1]=4 228 B14R1.3714 C#CC(=O)Nc1ccc(cc1Br)OC AIFCHEM-94525197839 [0,2,0,0,0,0|0,0,1]=3 229 B14R1.3714 C#CC(=O)Nc1ccc(cc1Cl)OC AIFCHEM-94525197526 [0,2,0,0,0,0|0,0,1]=3 230 B14R1.3714 C#CC(=O)Nc1ccc(cc1O)OC AIFCHEM-94525198783 [0,2,0,0,0,0|0,0,1]=3 231 B14R1.3714 C#Cc1ccc(c(c1)F)NC(=O)CC AIFCHEM-94526498943 [0,2,0,0,0,0|1,0,1]=4 232 B14R1.3714 CCC(=O)Nc1ccc(cc1C)OC AIFCHEM-94526499083 [0,2,0,0,0,0|0,0,0]=2 233 B14R1.3714 CCC(=O)Nc1ccc(cc1O)C#N AIFCHEM-94526508410 [0,2,0,0,0,0|2,0,0]=4 234 B14R1.3714 CCC(=O)Nc1cnc(cc1C)OC AIFCHEM-94526509487 [0,2,0,0,0,0|1,0,0]=3 235 B14R1.3714 COc1cc(c(cn1)NC(=O)CO)C AIFCHEM-94532684692 [0,2,0,0,0,0|1,0,0]=3 236 B14R1.3714 COc1ccc(c(c1)F)NC(=O)CO AIFCHEM-94532682806 [0,2,0,0,0,0|0,0,0]=2 237 B14R1.3714 COc1ccc(c(c1)O)NC(C)CO AIFCHEM-5796901443 [0,2,0,0,0,0|0,0,2]=4 238 B14R1.3714 COc1ccc(c(n1)C)NC(=O)CO AIFCHEM-94532683240 [0,2,0,0,0,0|1,0,0]=3 239 B14R1.140 CC=Cc1ccc(cc1C)NC(=O)C AIFCHEM-94534874740 [0,2,0,0,0,0|1,0,0]=3 240 B14R1.140 CC=Cc1ncc(cc1C)NC(=O)C AIFCHEM-40378788001 [0,2,0,0,0,0|2,0,0]=4 241 B14R1.140 CC=Cc1ncc(cc1F)NC(=O)C AIFCHEM-84822896770 [0,2,0,0,0,0|2,0,0]=4 242 B14R1.2284 COc1cc(c(cc1C)NC(=O)C)Br AIFCHEM-94605352105 [0,2,0,0,0,0|0,0,0]=2 243 B14R1.2284 COc1cc(c(cc1C)NC(=O)C)C AIFCHEM-94605340156 [0,2,0,0,0,0|0,0,0]=2 244 B14R1.2284 COc1cc(c(cc1F)C=C(C)C)F AIFCHEM-6460323017 [0,2,0,0,0,0|2,0,0]=4 245 B14R1.3651 COc1ccc(cc1C#N)NC(=O)C AIFCHEM-5723759183 [0,2,0,0,0,0|0,0,0]=2 246 B14R1.3651 COc1ccc(cc1OC)NC(=O)C AIFCHEM-6033371770 [0,2,0,0,0,0|0,0,0]=2 247 B14R1.3662 COc1ccc(c(c1O)O)C=C(C)C AIFCHEM-6433789471 [0,2,0,0,0,0|2,0,0]=4 248 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)N(C)C AIFCHEM-94605351591 [0,2,0,0,0,0|1,0,0]=3 249 B14R1.5801 CC(=O)Nc1ccc(c(c1)F)N(C)C AIFCHEM-94535596000 [0,2,0,0,0,0|1,0,0]=3 250 B14R1.5801 CC(=O)Nc1cnc(c(c1)Br)N(C)C AIFCHEM-94535599714 [0,2,0,0,0,0|2,0,0]=4 251 B14R1.12535 CC(=O)Nc1cc(c(c(c1)F)C#N)F AIFCHEM-94535593648 [0,2,0,0,0,0|2,0,0]=4 252 B14R1.12535 COc1c(cc(cc1Br)NC(=O)C)F AIFCHEM-94535600319 [0,2,0,0,0,0|0,0,0]=2 253 B14R1.12535 COc1c(cc(cc1Cl)NC(=O)C)Cl AIFCHEM-94605352070 [0,2,0,0,0,0|0,0,0]=2 254 B14R1.8 CCN(C(=O)C)c1ccc(cc1)OC AIFCHEM-98288965083 [0,2,0,0,0,0|0,0,0]=2 255 B14R1.8 CCN(C(=O)C)c1ccc(cc1)SC AIFCHEM-94685495360 [0,2,0,0,0,0|0,1,0]=3 256 B14R1.8 CCN(C(=O)C)c1ccc(nc1)OC AIFCHEM-99350357657 [0,2,0,0,0,0|1,0,0]=3 257 B14R1.6402 CC(=O)N(C)c1ccc(cc1)C(C)C AIFCHEM-94605344601 [0,2,0,0,0,0|1,0,0]=3 258 B14R1.68 CC(=Cc1ccc(cc1)OCCN)C AIFCHEM-5608375712 [0,2,0,0,0,0|2,0,0]=4 259 B14R1.68 CC(=O)Nc1ccc(cc1)C=CCO AIFCHEM-6367232544 [0,2,0,0,0,0|1,0,0]=3 260 B14R1.68 CC(=O)Nc1ccc(cn1)C=CCO AIFCHEM-6357131385 [0,2,0,0,0,0|2,0,0]=4 261 B14R1.68 CCCNc1ccc(nc1)NC(=O)C AIFCHEM-94569016999 [0,2,0,0,0,0|2,0,0]=4 262 B14R1.68 COCOc1ccc(cc1)C=C(C)C AIFCHEM-6398485848 [0,2,0,0,0,0|2,0,0]=4 263 B14R1.490 CC=Cc1cc(c(cn1)NC(=O)C)C AIFCHEM-40379110055 [0,2,0,0,0,0|2,0,0]=4 264 B14R1.490 CC=Cc1ccc(c(c1)F)NC(=O)C AIFCHEM-6345572261 [0,2,0,0,0,0|1,0,0]=3 265 B14R1.490 CC=Cc1ccc(c(c1)O)NC(=O)C AIFCHEM-98308196161 [0,2,0,0,0,0|1,0,0]=3 266 B14R1.490 CC=Cc1ccc(c(n1)C)NC(=O)C AIFCHEM-92174880588 [0,2,0,0,0,0|2,0,0]=4 267 B14R1.490 CCOc1ccc(c(c1)F)C=C(C)C AIFCHEM-6297008821 [0,2,0,0,0,0|2,0,0]=4 268 B14R1.717 C/C=C(\C)/c1ccc(nc1)NC(=O)C AIFCHEM-94584221333 [0,2,0,0,0,0|2,0,0]=4 269 B14R1.805 CC(=Cc1ccc(cc1)NC(=O)N)C AIFCHEM-6358205547 [0,2,0,0,0,0|2,0,0]=4 270 B14R1.805 CC(=O)Nc1ccc(cc1)CN(C)C AIFCHEM-94605355068 [0,2,0,0,0,0|1,0,0]=3 271 B14R1.805 CC(=O)Nc1ccc(nc1)C=C(C)C AIFCHEM-94527821192 [0,2,0,0,0,0|2,0,0]=4 272 B14R1.806 CC(=O)Nc1ccc(cc1)C(F)(F)F AIFCHEM-94605357468 [0,2,0,0,0,0|2,0,0]=4 273 B14R1.101 COc1ccc(c(n1)OC)NC(=O)C AIFCHEM-5797195830 [0,2,0,0,0,0|1,0,0]=3 274 B14R1.101 COc1ncc(c(n1)OC)NC(=O)C AIFCHEM-5898235987 [0,2,0,0,0,0|2,0,0]=4 275 B12R1.224 CC(=O)Nc1cccc(c1Br)C AIFCHEM-94605354110 [0,0,1,1,0,0|2,0,0]=4 276 B12R1.224 CC(=O)Nc1cccc(c1Cl)C AIFCHEM-94605351725 [0,0,1,1,0,0|2,0,0]=4 277 B12R2.143 CC=Cc1ccc2c(c1)CC2 AIFCHEM-6307603872 [1,0,0,1,0,0|2,0,0]=4 278 B12R2.143 CCNc1ccc2c(c1)CC2 AIFCHEM-94537422857 [1,0,0,1,0,0|1,0,1]=4 279 B14R2.328 COc1ccc(cc1)NCC2CC2 AIFCHEM-94577700872 [0,0,0,1,0,1|1,0,1]=4 280 B14R2.331 COc1ccc(cc1)C=C2CCC2 AIFCHEM-94553274097 [0,1,0,1,0,0|2,0,0]=4 281 B14R2.331 COc1ccc(cc1)NC2CCC2 AIFCHEM-94577699951 [0,1,0,1,0,0|1,0,1]=4 282 B14R2.331 COc1ccc(cc1)NC2COC2 AIFCHEM-6141845488 [0,1,0,1,0,0|0,0,2]=4 283 B14R2.10892 O=C(CO)Nc1ccc2c(c1)CC2 AIFCHEM-94532683623 [0,1,0,1,0,0|1,0,0]=3 284 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCC2 AIFCHEM-94535597703 [0,1,0,1,0,0|1,0,0]=3 285 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 AIFCHEM-94605351261 [0,1,0,1,0,0|0,0,0]=2 286 B14R2.1008 CC(=O)Nc1ccc2ccsc2c1 AIFCHEM-94605353945 [0,1,0,1,0,0|1,0,1]=4 287 B14R2.1008 CC(=O)Nc1ccc2nc[nH]c2c1 AIFCHEM-5889519533 [0,1,0,1,0,0|1,0,1]=4 288 B14R2.1008 CC(=O)Nc1ccc2nsnc2c1 AIFCHEM-94605356987 [0,1,0,1,0,0|1,1,0]=4 289 B14R2.1008 CC(=O)Nc1ccc2occc2c1 AIFCHEM-94535597791 [0,1,0,1,0,0|0,0,1]=3 290 B14R2.1008 CC(=O)Nc1ccc2oncc2c1 AIFCHEM-5709770395 [0,1,0,1,0,0|0,0,1]=3 291 B14R2.6400 CC=Cc1ccc2[nH]c(=O)sc2c1 AIFCHEM-6479507949 [0,1,0,1,0,0|2,0,0]=4 292 B14R2.6400 CC=Cc1ccc2c(c1)CC(=O)C2 AIFCHEM-6412278943 [0,1,0,1,0,0|2,0,0]=4 293 B14R2.6400 CCNc1ccc2[nH]c(=O)oc2c1 AIFCHEM-94537418799 [0,1,0,1,0,0|2,0,0]=4 294 B10R1.54 CC(=O)Nc1cc(on1)C AIFCHEM-6075165826 [1,0,0,0,1,0|2,0,0]=4 295 B10R1.54 CC(=O)Nc1ccc(s1)C AIFCHEM-94535596396 [1,0,0,0,1,0|1,0,0]=3 296 B10R1.54 CC(=O)Nc1nc(cs1)C AIFCHEM-94608701896 [1,0,0,0,1,0|2,0,0]=4 297 B12R1.438 COc1cc(ccn1)NC(=O)C AIFCHEM-94535593514 [0,0,0,0,1,1|0,0,0]=2 298 B12R1.438 COc1cc(ncn1)NC(=O)C AIFCHEM-6043872137 [0,0,0,0,1,1|1,0,0]=3 299 B12R1.438 CSc1cc(ccn1)NC(=O)C AIFCHEM-94535597846 [0,0,0,0,1,1|0,1,0]=3 300 B12R1.438 CSc1cccc(c1)NC(=O)C AIFCHEM-94535592741 [0,0,0,0,1,1|0,1,0]=3 301 B14R1.4 COc1ccc(cc1)CNCC(C)O AIFCHEM-6395624593 [0,0,0,0,0,2|0,0,2]=4 302 B14R1.4 COc1ccc(cc1)CNC[C@@H](C)O AIFCHEM-6509479764 [0,0,0,0,0,2|0,0,2]=4 303 B14R1.4 COc1ccc(cc1)CNC[C@H](C)O AIFCHEM-6500539475 [0,0,0,0,0,2|0,0,2]=4 304 B14R1.4 COc1ccc(cc1)NCCN(C)C AIFCHEM-94577700688 [0,0,0,0,0,2|2,0,0]=4