0 B10R1.18 CC(=Cc1ccccc1)C AIFCHEM-6323250098 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.18 CC(=Cc1ccncc1)C AIFCHEM-6347813633 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.18 CC(=O)Nc1ccncc1 AIFCHEM-94535587956 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.8 CCNc1ccccn1 AIFCHEM-94537422158 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 CCNc1ccnnc1 AIFCHEM-94537418084 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.8 CCNc1cnccn1 AIFCHEM-94537422176 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.40 CCN(C)Cc1ccccc1 AIFCHEM-94537411577 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.40 CCN(C)Cc1cccnc1 AIFCHEM-94537417880 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.86 CC(=O)Nc1ccccc1C AIFCHEM-94578149958 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.86 CC(=O)Nc1ccccc1F AIFCHEM-6022739701 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.86 CC(=O)Nc1ccccc1I AIFCHEM-94605354755 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.86 CC(=O)Nc1ccccc1O AIFCHEM-94605355387 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.157 CC(=O)Nc1cccc(c1)C AIFCHEM-94605355038 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.157 CC(=O)Nc1cccc(c1)F AIFCHEM-94579356885 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.157 CC(=O)Nc1cccc(c1)I AIFCHEM-94605354864 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.91 CC(=O)NCc1ccccn1 AIFCHEM-5686879180 [0,0,0,0,0,1|2,0,1]=4 16 B11R1.91 CC(C)CNc1ccccn1 AIFCHEM-94572981495 [0,0,0,0,0,1|2,0,0]=3 17 B11R1.91 CC(C)CNc1cccnc1 AIFCHEM-94572981207 [0,0,0,0,0,1|2,0,0]=3 18 B11R1.91 CC(C)NCc1cccnc1 AIFCHEM-94520540451 [0,0,0,0,0,1|2,0,0]=3 19 B11R1.91 CC(C)NCc1cncnc1 AIFCHEM-94520536301 [0,0,0,0,0,1|3,0,0]=4 20 B10R1.1 CC=Cc1ccc(cc1)N AIFCHEM-94608719473 [1,1,0,0,0,0|0,0,2]=4 21 B10R1.1 CCNc1ccc(cc1)C AIFCHEM-94537411875 [1,1,0,0,0,0|1,0,0]=3 22 B10R1.1 CCNc1ccc(nc1)Br AIFCHEM-94537414731 [1,1,0,0,0,0|2,0,0]=4 23 B10R1.1 CCNc1ccc(nc1)F AIFCHEM-94537417232 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.1 CCNc1ccc(nc1)O AIFCHEM-94537412774 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.4 CC=Cc1ccccc1C AIFCHEM-6371242545 [1,1,0,0,0,0|0,0,2]=4 26 B10R1.4 CCNc1ccccc1Br AIFCHEM-94537427481 [1,1,0,0,0,0|1,0,0]=3 27 B10R1.4 CCNc1ccccc1O AIFCHEM-94537427514 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.4 CCNc1cccnc1Br AIFCHEM-94537421189 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.4 CCNc1cccnc1I AIFCHEM-94537418171 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.4 CCNc1ccncc1Br AIFCHEM-94537414732 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.4 CCNc1ccncc1C AIFCHEM-94537417774 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.4 CCNc1ccncc1Cl AIFCHEM-94537417739 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.4 CCNc1ccncc1F AIFCHEM-94537418714 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.4 CCNc1ccncc1I AIFCHEM-94537426496 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.4 CCNc1ncccc1Br AIFCHEM-94537414733 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.4 CCNc1ncccc1C AIFCHEM-94537416246 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.4 CCNc1ncccc1Cl AIFCHEM-94537421147 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.10 CCNc1cccc(n1)Br AIFCHEM-94537417741 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.10 CCNc1cccc(n1)Cl AIFCHEM-94537421828 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.10 CCNc1cncc(c1)Br AIFCHEM-94537414734 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.10 CCNc1cncc(c1)C AIFCHEM-94524188643 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.10 CCNc1cncc(c1)Cl AIFCHEM-94537418676 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.10 CCNc1cncc(c1)O AIFCHEM-94532888502 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.15 CCN(C)c1cccnc1 AIFCHEM-94537417258 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.17 CCCNc1ccccc1 AIFCHEM-94552032560 [1,1,0,0,0,0|0,0,0]=2 46 B10R1.17 CCCNc1ncccn1 AIFCHEM-94569009150 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.17 CCNCc1ccccn1 AIFCHEM-94537420895 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.17 CCNCc1cnccn1 AIFCHEM-94537417821 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.21 CC(C)CNc1ccc(cn1)Cl AIFCHEM-94572971296 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.21 CC(C)NCc1ccc(cc1)Br AIFCHEM-94520536724 [0,1,0,0,0,1|1,0,0]=3 51 B12R1.21 CC(C)NCc1ccc(nc1)Br AIFCHEM-94520537856 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.21 CC(C)NCc1ccc(nc1)F AIFCHEM-94520541532 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.21 CC(O)C=Cc1ccc(cc1)O AIFCHEM-94601033022 [0,1,0,0,0,1|1,0,1]=4 54 B12R1.21 Cc1ccc(cc1)C=CC(C)O AIFCHEM-94528939842 [0,1,0,0,0,1|1,0,1]=4 55 B12R1.27 CC(CF)NCc1ccncc1 AIFCHEM-6106353417 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.27 CCC(C)CNc1ccccn1 AIFCHEM-5933383275 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.27 C[C@@H](CF)NCc1ccncc1 AIFCHEM-6033408698 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.27 C[C@H](CF)NCc1ccncc1 AIFCHEM-6088513543 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.43 CC(C)N(C)Cc1cccnc1 AIFCHEM-94547939400 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.107 CC(C)CN(C)c1cccnc1 AIFCHEM-94572976595 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.125 CC(=O)NCc1ccccc1Br AIFCHEM-94605352816 [0,1,0,0,0,1|1,0,1]=4 62 B12R1.125 CC(=O)NCc1ccccc1O AIFCHEM-94535601059 [0,1,0,0,0,1|1,0,1]=4 63 B12R1.125 CC(C)CNc1ccccc1F AIFCHEM-94582105931 [0,1,0,0,0,1|1,0,0]=3 64 B12R1.125 CC(C)CNc1cccnc1O AIFCHEM-94572979736 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.125 CC(C)CNc1cnccc1I AIFCHEM-94572971196 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.125 CC(C)CNc1ncccc1F AIFCHEM-94572977790 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.125 CC(C)NCc1ccccc1O AIFCHEM-94532460180 [0,1,0,0,0,1|1,0,0]=3 68 B12R1.125 CC(C)NCc1cccnc1O AIFCHEM-94541098053 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.125 CC(C)NCc1ccncc1O AIFCHEM-94520538410 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.125 CC(C)NCc1cnccc1O AIFCHEM-94520542511 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.125 CC(C)NCc1ncccc1Br AIFCHEM-94520540091 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.125 CC(O)C=Cc1ccccc1F AIFCHEM-6194306919 [0,1,0,0,0,1|1,0,1]=4 73 B12R1.125 Cc1cccnc1CNC(C)C AIFCHEM-94520540832 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.125 Cc1ccncc1NCC(C)C AIFCHEM-94572979800 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.226 CC(C)CNc1cc(ccn1)F AIFCHEM-94572986772 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.226 CC(C)CNc1cccc(n1)O AIFCHEM-94572981649 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.226 CC(C)CNc1ccnc(c1)Br AIFCHEM-94572984502 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.226 CC(C)CNc1ccnc(c1)Cl AIFCHEM-94572974872 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.226 CC(C)NCc1cccc(c1)Br AIFCHEM-94520539518 [0,1,0,0,0,1|1,0,0]=3 80 B12R1.226 CC(C)NCc1cccc(c1)I AIFCHEM-94520541615 [0,1,0,0,0,1|1,0,0]=3 81 B12R1.226 CC(C)NCc1cncc(c1)Br AIFCHEM-94520536752 [0,1,0,0,0,1|2,0,0]=4 82 B12R1.226 Cc1ccnc(c1)CNC(C)C AIFCHEM-94520540677 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.226 Cc1ccnc(c1)NCC(C)C AIFCHEM-94572983855 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.891 CC(C)(C)C=Cc1ccccc1 AIFCHEM-94590917879 [0,1,0,0,0,1|1,0,1]=4 85 B12R1.891 CC(C)(O)C=Cc1ccccc1 AIFCHEM-94590917375 [0,1,0,0,0,1|1,0,1]=4 86 B12R1.49 CC(CO)Nc1ccc(cc1)F AIFCHEM-94552015989 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.49 CCN(C)Cc1ccc(cc1)F AIFCHEM-94537421330 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.49 CCN(C)Cc1ccc(cc1)I AIFCHEM-94563256363 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.50 CC(CO)Nc1cccc(c1)Cl AIFCHEM-94523487703 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.50 CCN(C)Cc1cccc(c1)F AIFCHEM-94563258775 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.50 CCN(C)Cc1cccc(c1)O AIFCHEM-94563254727 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.118 CCC(CO)Nc1ccccc1 AIFCHEM-94552035952 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.371 CC(CO)Nc1ccccc1O AIFCHEM-94521333642 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.371 CCN(C)Cc1ccccc1O AIFCHEM-94563261019 [0,2,0,0,0,0|2,0,0]=4 95 B12R2.2057 c1cc(ccn1)CNC2CC2 AIFCHEM-6108865476 [0,0,0,1,0,1|2,0,0]=4 96 B12R2.2057 c1cncc(c1)CNC2CC2 AIFCHEM-94573316464 [0,0,0,1,0,1|2,0,0]=4 97 B8R1.8 CCNc1ccsc1 AIFCHEM-94568866699 [1,0,0,0,1,0|2,0,0]=4 98 B12R1.252 CC(C)CNCc1ccccn1 AIFCHEM-94572980232 [0,0,0,0,0,2|2,0,0]=4 99 B12R1.252 CC(O)CNCc1ccncc1 AIFCHEM-6416585554 [0,0,0,0,0,2|2,0,0]=4 100 B12R1.252 C[C@@H](O)CNCc1ccncc1 AIFCHEM-6490834951 [0,0,0,0,0,2|2,0,0]=4 101 B12R1.252 C[C@H](O)CNCc1ccncc1 AIFCHEM-6495203428 [0,0,0,0,0,2|2,0,0]=4