0 B14R1.42 COc1cc(ccc1Cl)NCC(C)C AIFCHEM-94572974243 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Br AIFCHEM-94590031293 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)F AIFCHEM-5841829334 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Cl AIFCHEM-94605355739 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.511 CC(=O)NCc1ccc(c(c1)O)F AIFCHEM-6047279791 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.511 CC(=O)NCc1ccc(c(c1)O)O AIFCHEM-94535592243 [1,0,0,0,0,0|1,0,0]=2 6 B13R1.511 Cc1cc(ccc1O)NCC(C)C AIFCHEM-94527203602 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.575 CCCNc1ccc(c(c1)OC)Br AIFCHEM-94569014546 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.575 CCNCc1ccc(c(c1)OC)O AIFCHEM-94537413052 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.643 COc1cccc(c1)NCC(C)C AIFCHEM-94573851946 [1,0,0,0,0,0|2,0,1]=4 10 B15R1.531 CC=Cc1cc(ccc1C)CNC(=O)C AIFCHEM-46723013989 [0,1,0,0,0,0|3,0,0]=4 11 B15R1.4039 COc1cc(ccc1O)CNC(C)CO AIFCHEM-6176106881 [0,1,0,0,0,0|1,0,2]=4 12 B15R1.4039 COc1cc(ccc1O)CN[C@@H](C)CO AIFCHEM-6446705265 [0,1,0,0,0,0|1,0,2]=4 13 B15R1.4039 COc1cc(ccc1O)CN[C@H](C)CO AIFCHEM-6414328870 [0,1,0,0,0,0|1,0,2]=4 14 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C AIFCHEM-94605354390 [0,1,0,0,0,0|1,0,0]=2 15 B15R1.12854 COc1ccc(cc1OC)NCC(C)C AIFCHEM-94572980009 [0,1,0,0,0,0|2,0,1]=4 16 B15R2.7688 CC(C)CNc1ccc2c(c1)OCO2 AIFCHEM-94559640704 [0,0,0,1,0,0|2,0,1]=4 17 B13R1.52 COc1cc(ccc1Br)NC(=O)C AIFCHEM-6215120655 [0,0,0,0,1,0|2,0,0]=3 18 B13R1.52 COc1cc(ccc1N)C=C(C)C AIFCHEM-5750864117 [0,0,0,0,1,0|2,0,1]=4 19 B13R1.52 COc1cc(ncc1I)NC(=O)C AIFCHEM-6077323923 [0,0,0,0,1,0|3,0,0]=4 20 B15R1.4030 COc1cc(ccc1Br)CNCC(C)C AIFCHEM-6144243051 [0,0,0,0,0,1|2,0,1]=4 21 B15R1.4030 COc1cc(ccc1Cl)NCCN(C)C AIFCHEM-94564759650 [0,0,0,0,0,1|3,0,0]=4 22 B15R1.4030 COc1cc(ccc1F)CNCC(C)C AIFCHEM-94563719689 [0,0,0,0,0,1|2,0,1]=4 23 B12R1.226 CC(=O)NCc1cccc(n1)C AIFCHEM-5718068665 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.226 CC(=O)NCc1cncc(c1)C AIFCHEM-94535591610 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.385 CCNCc1ccc(c(c1)O)O AIFCHEM-94537416373 [2,0,0,0,0,0|1,0,1]=4 26 B12R1.286 CC=Cc1ccc(c(c1)OC)O AIFCHEM-6360952734 [2,0,0,0,0,0|0,0,1]=3 27 B12R1.286 CC=Cc1ccc(c(n1)OC)O AIFCHEM-6323484763 [2,0,0,0,0,0|1,0,1]=4 28 B12R1.286 CCNc1ccc(c(c1)OC)Br AIFCHEM-94537417463 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.286 CCNc1ccc(c(c1)OC)F AIFCHEM-94537418734 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.286 CCNc1ccc(c(c1)OC)O AIFCHEM-94537422385 [2,0,0,0,0,0|1,0,0]=3 31 B14R1.686 CC(=O)N(C)Cc1ccc(c(c1)O)O AIFCHEM-94605337230 [1,1,0,0,0,0|1,0,0]=3 32 B14R1.833 C#CC(=O)NCc1ccc(c(c1)O)O AIFCHEM-94525194718 [1,1,0,0,0,0|1,0,1]=4 33 B14R1.833 CCC(=O)NCc1ccc(c(c1)O)O AIFCHEM-94526503165 [1,1,0,0,0,0|1,0,0]=3 34 B14R1.833 Cc1cc(ccc1Br)CNC(=O)CO AIFCHEM-6279163769 [1,1,0,0,0,0|2,0,0]=4 35 B14R1.833 O=C(CO)NCc1ccc(c(c1)O)O AIFCHEM-94532678370 [1,1,0,0,0,0|1,0,0]=3 36 B14R1.793 CCCNc1ccc(c(c1)OC)OC AIFCHEM-94569020898 [1,1,0,0,0,0|1,0,1]=4 37 B14R1.907 CCCC=Cc1ccc(c(c1)OC)O AIFCHEM-6395533732 [1,1,0,0,0,0|0,0,2]=4 38 B14R1.75 COc1cccc(c1)CN(C)C(=O)C AIFCHEM-5677985105 [1,1,0,0,0,0|1,0,0]=3 39 B14R1.77 COc1cc(ccn1)CNC(=O)CO AIFCHEM-6126079005 [1,1,0,0,0,0|2,0,0]=4 40 B14R1.77 COc1cccc(n1)CNC(=O)CO AIFCHEM-94602516797 [1,1,0,0,0,0|2,0,0]=4 41 B14R1.77 COc1cncc(c1)CNC(=O)CO AIFCHEM-94530045793 [1,1,0,0,0,0|2,0,0]=4 42 B14R1.81 COc1cccc(c1O)CNC(=O)C AIFCHEM-94605344911 [1,1,0,0,0,0|1,0,0]=3 43 B14R1.376 COc1cc(cc(c1)CNC(=O)C)F AIFCHEM-94535600885 [1,1,0,0,0,0|1,0,0]=3 44 B14R1.468 CC=Cc1cccc(c1)CCC(=O)O AIFCHEM-6402418489 [1,1,0,0,0,0|2,0,0]=4 45 B14R1.468 CC=Cc1cccc(c1)CNC(=O)C AIFCHEM-6341233134 [1,1,0,0,0,0|2,0,0]=4 46 B14R1.2335 COc1ccc(c(n1)CNC(=O)C)Cl AIFCHEM-6046222612 [1,1,0,0,0,0|2,0,0]=4 47 B14R1.343 COc1cc(cc(c1Cl)Br)NC(=O)C AIFCHEM-5776597559 [0,1,0,0,1,0|2,0,0]=4 48 B14R1.343 COc1cc(cc(c1O)O)C=C(C)C AIFCHEM-6260426356 [0,1,0,0,1,0|1,0,1]=4 49 B14R1.439 CC=Cc1cc(ccc1O)NC(=O)C AIFCHEM-92182185137 [0,1,0,0,1,0|2,0,0]=4 50 B14R1.705 CC(=O)Nc1ccc(c(c1)C(=O)C)O AIFCHEM-94535596879 [0,1,0,0,1,0|2,0,0]=4 51 B14R1.881 COc1cc(c(cc1Cl)Cl)NC(=O)C AIFCHEM-94605358186 [0,1,0,0,1,0|2,0,0]=4 52 B14R1.881 COc1cc(c(cc1F)Br)NC(=O)C AIFCHEM-94535596405 [0,1,0,0,1,0|2,0,0]=4 53 B14R1.3651 COc1cc(ccc1CO)C=C(C)C AIFCHEM-6406154968 [0,1,0,0,1,0|1,0,1]=4 54 B14R1.3651 COc1ccc(cc1OC)NC(=O)C AIFCHEM-6033371770 [0,1,0,0,1,0|1,0,0]=3 55 B16R1.406 COc1cc(cc(c1O)Br)CNCC(C)C AIFCHEM-94544774393 [0,1,0,0,0,1|1,0,1]=4 56 B16R1.406 COc1cc(cc(c1O)Cl)CNCC(C)O AIFCHEM-94558282339 [0,1,0,0,0,1|0,0,2]=4 57 B16R1.406 COc1cc(cc(c1O)Cl)CNC[C@@H](C)O AIFCHEM-6490835195 [0,1,0,0,0,1|0,0,2]=4 58 B16R1.406 COc1cc(cc(c1O)Cl)CNC[C@H](C)O AIFCHEM-6500340619 [0,1,0,0,0,1|0,0,2]=4 59 B16R1.406 COc1cc(cc(c1O)O)CNCC(C)O AIFCHEM-94558283800 [0,1,0,0,0,1|0,0,2]=4 60 B16R1.4275 COc1ccc(cc1OC)CNCC(C)C AIFCHEM-94563719354 [0,1,0,0,0,1|1,0,1]=4 61 B16R1.4708 COC(=O)CNCc1ccc(c(c1)OC)Br AIFCHEM-6193833306 [0,1,0,0,0,1|1,0,0]=3 62 B16R1.4709 COc1cc(ccc1O)C(=O)NCC(=O)C AIFCHEM-6057883813 [0,1,0,0,0,1|0,0,1]=3 63 B16R1.4710 COc1cc(ccc1Cl)CNC(O)C(=O)O AIFCHEM-5649347013 [0,1,0,0,0,1|2,0,0]=4 64 B16R1.4710 COc1cc(ccc1F)CNC(C)C(=O)N AIFCHEM-94533816173 [0,1,0,0,0,1|2,0,0]=4 65 B16R1.4710 COc1cc(ccc1F)CN[C@@H](C)C(=O)N AIFCHEM-5735085943 [0,1,0,0,0,1|2,0,0]=4 66 B16R1.4710 COc1cc(ccc1F)CN[C@H](C)C(=O)N AIFCHEM-94551550095 [0,1,0,0,0,1|2,0,0]=4 67 B16R1.4710 COc1cc(ccc1O)CN[C@@H](C)C(=O)O AIFCHEM-94576649477 [0,1,0,0,0,1|1,0,0]=3 68 B16R1.4761 COc1cc(ccc1C)CN(C)CC(=O)O AIFCHEM-94554258490 [0,1,0,0,0,1|2,0,0]=4 69 B16R1.4761 COc1cc(ccc1Cl)CN(C)CC(=O)N AIFCHEM-94564507526 [0,1,0,0,0,1|2,0,0]=4 70 B16R1.4761 COc1cc(ccc1O)CN(C)CC(=O)O AIFCHEM-94554256385 [0,1,0,0,0,1|1,0,0]=3 71 B16R1.20029 COc1cc(c(cc1Br)F)CNCC(=O)N AIFCHEM-94550119695 [0,1,0,0,0,1|2,0,0]=4 72 B16R1.20029 COc1cc(c(cc1Br)F)CNCC(=O)O AIFCHEM-5889357795 [0,1,0,0,0,1|2,0,0]=4 73 B16R1.20029 COc1cc(c(cc1Br)O)CNCC(=O)N AIFCHEM-94550119141 [0,1,0,0,0,1|2,0,0]=4 74 B16R1.20029 COc1cc(c(cc1Br)O)CNCC(=O)O AIFCHEM-94542885946 [0,1,0,0,0,1|2,0,0]=4 75 B16R1.33579 COc1c(ccc(c1F)CNCC(=O)O)Br AIFCHEM-94542883000 [0,1,0,0,0,1|2,0,0]=4 76 B16R1.423 COc1cc(cc(c1O)OC)CNC(=O)C AIFCHEM-94535596941 [0,2,0,0,0,0|1,0,0]=3 77 B16R1.4727 CCC(=O)N[C@@H](C)c1ccc(c(c1)OC)F AIFCHEM-94526511144 [0,2,0,0,0,0|2,0,0]=4 78 B16R1.4727 CCC(=O)N[C@H](C)c1ccc(c(c1)OC)F AIFCHEM-94603874203 [0,2,0,0,0,0|2,0,0]=4 79 B16R1.4763 CCN(Cc1ccc(c(c1)OC)Br)C(=O)C AIFCHEM-99350727613 [0,2,0,0,0,0|2,0,0]=4 80 B16R1.4763 CCN(Cc1ccc(c(c1)OC)Cl)C(=O)C AIFCHEM-98288442913 [0,2,0,0,0,0|2,0,0]=4 81 B16R1.4763 CCN(Cc1ccc(c(c1)OC)F)C(=O)C AIFCHEM-98290644606 [0,2,0,0,0,0|2,0,0]=4 82 B16R1.4763 CCN(Cc1ccc(c(c1)OC)O)C(=O)C AIFCHEM-94685527495 [0,2,0,0,0,0|1,0,0]=3 83 B16R1.15083 CC#CC(=O)NCc1ccc(c(c1)OC)O AIFCHEM-6175905566 [0,2,0,0,0,0|1,0,0]=3 84 B16R1.15083 COCC(=O)NCc1ccc(c(c1)OC)O AIFCHEM-6127297092 [0,2,0,0,0,0|1,0,0]=3 85 B16R1.15083 COc1cc(ccc1F)CNC(=O)CC#N AIFCHEM-94559918443 [0,2,0,0,0,0|2,0,0]=4 86 B16R1.9381 CC=Cc1ccc(cc1OC)CNC(=O)C AIFCHEM-40382564646 [0,2,0,0,0,0|2,0,0]=4 87 B14R2.991 CCCNc1ccc2c(c1)OCO2 AIFCHEM-94559635856 [1,0,0,1,0,0|1,0,1]=4 88 B14R2.991 CCNCc1ccc2c(c1)OCO2 AIFCHEM-94537419381 [1,0,0,1,0,0|1,0,1]=4 89 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCC2 AIFCHEM-94535597703 [0,0,0,1,1,0|2,0,0]=4 90 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 AIFCHEM-94605351261 [0,0,0,1,1,0|1,0,0]=3 91 B16R2.6908 COc1cc(ccc1O)CN2CC(C2)F AIFCHEM-5678448744 [0,0,0,1,0,1|1,0,1]=4 92 B16R2.6914 COc1cc(ccc1O)CNC2CC2F AIFCHEM-94597357964 [0,0,0,1,0,1|1,0,1]=4 93 B16R2.6914 COc1cc(ccc1O)CN[C@@H]2C[C@@H]2F AIFCHEM-6010947519 [0,0,0,1,0,1|1,0,1]=4 94 B16R2.6914 COc1cc(ccc1O)CN[C@@H]2C[C@H]2C AIFCHEM-94559006036 [0,0,0,1,0,1|1,0,1]=4 95 B16R2.6914 COc1cc(ccc1O)CN[C@@H]2C[C@H]2F AIFCHEM-5815585454 [0,0,0,1,0,1|1,0,1]=4 96 B16R2.6914 COc1cc(ccc1O)CN[C@H]2C[C@@H]2F AIFCHEM-94589280072 [0,0,0,1,0,1|1,0,1]=4 97 B16R2.27160 CN(C)CCNc1ccc2c(c1)OCO2 AIFCHEM-94564760138 [0,0,0,1,0,1|2,0,0]=4 98 B16R2.27160 NC(=O)CNCc1ccc2c(c1)CCO2 AIFCHEM-94550118668 [0,0,0,1,0,1|2,0,0]=4 99 B16R2.27160 O=C(O)CNCc1ccc2c(c1)CCO2 AIFCHEM-94542885473 [0,0,0,1,0,1|2,0,0]=4 100 B16R2.6257 CC(=O)N(C)Cc1ccc2c(c1)CCO2 AIFCHEM-94564220590 [0,1,0,1,0,0|2,0,0]=4 101 B16R2.1357 O=C(CO)NCc1ccc2c(c1)CCO2 AIFCHEM-94532684437 [0,1,0,1,0,0|2,0,0]=4 102 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C AIFCHEM-6398326996 [1,0,0,0,1,0|1,0,1]=4 103 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br AIFCHEM-5608066263 [1,0,0,0,1,0|2,0,0]=4 104 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O AIFCHEM-94527206242 [1,0,0,0,1,0|1,0,0]=3 105 B12R1.19 CC(=O)Nc1ccc(c(c1)I)O AIFCHEM-94605357326 [1,0,0,0,1,0|2,0,0]=4 106 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O AIFCHEM-94535592055 [1,0,0,0,1,0|1,0,0]=3 107 B12R1.438 COc1cc(ccn1)NC(=O)C AIFCHEM-94535593514 [1,0,0,0,1,0|2,0,0]=4 108 B12R1.438 CSc1cccc(c1)NC(=O)C AIFCHEM-94535592741 [1,0,0,0,1,0|1,1,0]=4 109 B14R1.76 CCc1cccc(c1)CNCC(=O)N AIFCHEM-94550117521 [1,0,0,0,0,1|2,0,0]=4 110 B14R1.76 COc1cccc(n1)CNCC(=O)N AIFCHEM-94550118570 [1,0,0,0,0,1|2,0,0]=4