0 B10R1.18 CC(=Cc1ccccc1)C AIFCHEM-6323250098 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(=Cc1ccncc1)C AIFCHEM-6347813633 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.18 CC(=O)Nc1cccnn1 AIFCHEM-5873465756 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.18 CC(=O)Nc1ccncc1 AIFCHEM-94535587956 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.18 CC(=O)Nc1ccnnc1 AIFCHEM-5598224670 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.18 CC(=O)Nc1cncnc1 AIFCHEM-94605354528 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.20 CC(=O)Nc1ccc(cn1)C AIFCHEM-5874295902 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.36 CC(=O)N(C)c1ccccn1 AIFCHEM-94605353384 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.36 CC(=O)N(C)c1cccnc1 AIFCHEM-6180237801 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.40 C#CC(=O)Nc1cccnc1 AIFCHEM-94525199177 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.40 CCC(=O)Nc1ccccn1 AIFCHEM-94526506315 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.40 CCN(C)Cc1ccccc1 AIFCHEM-94537411577 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.40 O=C(CO)Nc1cccnc1 AIFCHEM-94531016168 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.86 CC(=O)Nc1ccccc1C AIFCHEM-94578149958 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.86 CC(=O)Nc1ccccc1F AIFCHEM-6022739701 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.86 CC(=O)Nc1ccccc1I AIFCHEM-94605354755 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.86 CC(=O)Nc1ccccc1O AIFCHEM-94605355387 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.86 CC(=O)Nc1ccncc1C AIFCHEM-94535593404 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.86 CC(=O)Nc1cnccc1I AIFCHEM-5844328599 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.86 CC(=O)Nc1cnccc1O AIFCHEM-94605354960 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.157 CC(=O)Nc1cc(ccn1)O AIFCHEM-94605352203 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.157 CC(=O)Nc1cccc(c1)C AIFCHEM-94605355038 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.157 CC(=O)Nc1cccc(c1)F AIFCHEM-94579356885 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.157 CC(=O)Nc1cccc(c1)I AIFCHEM-94605354864 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.157 CC(=O)Nc1cncc(c1)C AIFCHEM-94524195082 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.157 CC(=O)Nc1cncc(c1)F AIFCHEM-5999042768 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.91 CC(=O)NCc1ccccn1 AIFCHEM-5686879180 [0,0,0,0,0,1|2,0,0]=3 27 B11R1.91 CC(=O)NCc1ccncn1 AIFCHEM-94605339593 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.91 CC(=O)NCc1cnccn1 AIFCHEM-94535589218 [0,0,0,0,0,1|3,0,0]=4 29 B10R1.1 CC=Cc1ccc(cc1)N AIFCHEM-94608719473 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.4 CC=Cc1ccccc1C AIFCHEM-6371242545 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.17 CCCNc1ccccc1 AIFCHEM-94552032560 [1,1,0,0,0,0|1,0,1]=4 32 B12R1.27 C#CC(=O)NCc1cccnc1 AIFCHEM-94525198393 [0,1,0,0,0,1|2,0,0]=4 33 B12R1.27 O=C(CO)NCc1cccnc1 AIFCHEM-6213017725 [0,1,0,0,0,1|1,0,0]=3 34 B12R1.27 O=C(CO)NCc1ccncc1 AIFCHEM-94532684529 [0,1,0,0,0,1|1,0,0]=3 35 B12R1.27 O=C(CO)NCc1cnccn1 AIFCHEM-94604424653 [0,1,0,0,0,1|2,0,0]=4 36 B12R1.43 CC(=O)N(C)Cc1ccncc1 AIFCHEM-94531380102 [0,1,0,0,0,1|2,0,0]=4 37 B12R1.107 CC(=O)NC(C)c1ccccn1 AIFCHEM-5837712398 [0,1,0,0,0,1|2,0,0]=4 38 B12R1.107 CC(=O)N[C@@H](C)c1ccccn1 AIFCHEM-5685771532 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.107 CC(=O)N[C@H](C)c1ccccn1 AIFCHEM-94582277765 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.125 CC(=O)NCc1ccccc1Br AIFCHEM-94605352816 [0,1,0,0,0,1|1,0,0]=3 41 B12R1.125 CC(=O)NCc1ccccc1O AIFCHEM-94535601059 [0,1,0,0,0,1|1,0,0]=3 42 B12R1.226 CC(=O)NCc1cccc(n1)C AIFCHEM-5718068665 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.226 CC(=O)NCc1cncc(c1)C AIFCHEM-94535591610 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br AIFCHEM-5608066263 [0,2,0,0,0,0|2,0,0]=4 45 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O AIFCHEM-94527206242 [0,2,0,0,0,0|2,0,0]=4 46 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br AIFCHEM-6168829856 [0,2,0,0,0,0|2,0,0]=4 47 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F AIFCHEM-94535595851 [0,2,0,0,0,0|2,0,0]=4 48 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I AIFCHEM-94605355198 [0,2,0,0,0,0|2,0,0]=4 49 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl AIFCHEM-6020088654 [0,2,0,0,0,0|2,0,0]=4 50 B12R1.19 CC(=O)Nc1ccc(c(c1)I)O AIFCHEM-94605357326 [0,2,0,0,0,0|2,0,0]=4 51 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O AIFCHEM-94535592055 [0,2,0,0,0,0|2,0,0]=4 52 B12R1.20 CC(=O)N(C)c1ccc(cc1)I AIFCHEM-5731761315 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.49 C#CC(=O)Nc1ccc(cc1)Br AIFCHEM-94608726591 [0,2,0,0,0,0|2,0,0]=4 54 B12R1.49 C#CC(=O)Nc1ccc(cc1)Cl AIFCHEM-94586018469 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.49 C#CC(=O)Nc1ccc(cc1)O AIFCHEM-94525200720 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl AIFCHEM-94526499445 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.49 O=C(CO)Nc1ccc(cc1)I AIFCHEM-94532683447 [0,2,0,0,0,0|1,0,0]=3 58 B12R1.49 O=C(CO)Nc1ccc(cc1)O AIFCHEM-94532676141 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br AIFCHEM-94544669425 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.233 CC(=O)Nc1ccc(cc1Br)I AIFCHEM-6165339609 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.233 CC(=O)Nc1ccc(cc1C)I AIFCHEM-6211268315 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O AIFCHEM-94588750029 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.233 CC(=O)Nc1ccc(cc1F)Br AIFCHEM-94536063608 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.233 CC(=O)Nc1ccc(cc1F)O AIFCHEM-94576186146 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.233 CC(=O)Nc1ccc(cc1I)Br AIFCHEM-6059213040 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl AIFCHEM-94605351667 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.124 CC(=O)N(C)c1ccccc1F AIFCHEM-94605348690 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.124 CC(=O)N(C)c1ccccc1O AIFCHEM-94535598018 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.225 CC(=O)N(C)c1cccc(c1)F AIFCHEM-94535593371 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.32 CC#CC(=O)Nc1ccccc1 AIFCHEM-94552045484 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.32 COCC(=O)Nc1ccncc1 AIFCHEM-94533902369 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.32 O=C(CCO)Nc1ccccc1 AIFCHEM-94552044770 [0,2,0,0,0,0|1,0,0]=3 73 B12R1.32 O=C(CCO)Nc1ccncc1 AIFCHEM-94533901418 [0,2,0,0,0,0|2,0,0]=4 74 B12R1.50 C#CC(=O)Nc1cccc(c1)C AIFCHEM-94525191097 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.50 C#CC(=O)Nc1cccc(c1)F AIFCHEM-94579361398 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.50 CCC(=O)Nc1cccc(c1)C AIFCHEM-94526499544 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.371 C#CC(=O)Nc1ccccc1I AIFCHEM-94525200532 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.371 O=C(CO)Nc1ccccc1I AIFCHEM-94532684184 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.371 O=C(CO)Nc1ccncc1O AIFCHEM-94532683263 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.371 O=C(CO)Nc1cnccc1I AIFCHEM-94532674635 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.371 O=C(CO)Nc1ncccc1F AIFCHEM-94532680083 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.75 COc1ccccc1NC(=O)C AIFCHEM-94535590793 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.75 CSc1ccccc1NC(=O)C AIFCHEM-5786942629 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br AIFCHEM-94570348023 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.127 CC(=O)Nc1cc(ccc1Br)I AIFCHEM-5708441140 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.127 CC(=O)Nc1cc(ccc1C)C AIFCHEM-5778903028 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl AIFCHEM-94528739919 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.127 CC(=O)Nc1cc(ccc1F)Br AIFCHEM-94535595050 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.127 CC(=O)Nc1cc(ccc1I)Br AIFCHEM-94535598373 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.127 CC(=O)Nc1cc(ccc1I)F AIFCHEM-94535594622 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.127 CC(=O)Nc1cc(ccc1O)C AIFCHEM-94535601312 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.224 CC(=O)Nc1cccc(c1Br)C AIFCHEM-94605354110 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.224 CC(=O)Nc1cccc(c1C)F AIFCHEM-94585185229 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.224 CC(=O)Nc1cccc(c1C)O AIFCHEM-94535597217 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.224 CC(=O)Nc1cccc(c1Cl)C AIFCHEM-94605351725 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.224 CC(=O)Nc1cccc(c1Cl)F AIFCHEM-94535593864 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.224 CC(=O)Nc1cccc(c1F)Br AIFCHEM-5895640094 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.224 CC(=O)Nc1cccc(c1F)Cl AIFCHEM-94535593783 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.224 CC(=O)Nc1cccc(c1O)F AIFCHEM-94535597309 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.1009 CC(=O)Nc1c(cccc1Cl)Cl AIFCHEM-94594112755 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.1009 CC(=O)Nc1c(cccc1Cl)O AIFCHEM-94605354309 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.1009 CC(=O)Nc1c(cccc1F)F AIFCHEM-5989018381 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)Cl AIFCHEM-94589175818 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.438 CSc1cccc(c1)NC(=O)C AIFCHEM-94535592741 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.252 NC(=O)CNCc1cccnc1 AIFCHEM-94550118278 [0,0,0,0,0,2|2,0,0]=4 106 B12R1.252 O=C(O)CNCc1cccnc1 AIFCHEM-94542885083 [0,0,0,0,0,2|1,0,0]=3 107 B12R1.252 O=C(O)CNCc1cncnc1 AIFCHEM-5888748286 [0,0,0,0,0,2|2,0,0]=4