0 B11R1.86 CC(=O)Nc1ccccc1C AIFCHEM-94578149958 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.86 CC(=O)Nc1ccccc1F AIFCHEM-6022739701 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.86 CC(=O)Nc1ccccc1I AIFCHEM-94605354755 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.86 CC(=O)Nc1ccccc1O AIFCHEM-94605355387 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.86 CC(=O)Nc1ccn[nH]c1=O AIFCHEM-94605354155 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.86 CC(=O)Nc1ccncc1C AIFCHEM-94535593404 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.86 CC(=O)Nc1cnccc1I AIFCHEM-5844328599 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.86 CC(=O)Nc1cnccc1O AIFCHEM-94605354960 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.86 CC(=O)Nc1cncnc1I AIFCHEM-94535601182 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.86 CC(=O)Nc1ncc[nH]c1=O AIFCHEM-94535596498 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.4 CC=Cc1ccccc1C AIFCHEM-6371242545 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.4 CC=Cc1cnccc1F AIFCHEM-6369068956 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.4 CCNc1ccccc1Br AIFCHEM-94537427481 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.4 CCNc1ccccc1O AIFCHEM-94537427514 [1,0,0,0,0,0|0,0,1]=2 14 B10R1.4 CCNc1cccnc1Br AIFCHEM-94537421189 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.4 CCNc1cccnc1I AIFCHEM-94537418171 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.4 CCNc1ccncc1Br AIFCHEM-94537414732 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.4 CCNc1ccncc1C AIFCHEM-94537417774 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.4 CCNc1ccncc1Cl AIFCHEM-94537417739 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.4 CCNc1ccncc1F AIFCHEM-94537418714 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.4 CCNc1ccncc1I AIFCHEM-94537426496 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.4 CCNc1ncccc1Br AIFCHEM-94537414733 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.4 CCNc1ncccc1C AIFCHEM-94537416246 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.4 CCNc1ncccc1Cl AIFCHEM-94537421147 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.18 CC(=Cc1ccccc1)C AIFCHEM-6323250098 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.18 CC(=Cc1ccncc1)C AIFCHEM-6347813633 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.18 CC(=O)Nc1cccnn1 AIFCHEM-5873465756 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.18 CC(=O)Nc1ccncc1 AIFCHEM-94535587956 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.18 CC(=O)Nc1ccnnc1 AIFCHEM-5598224670 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.18 CC(=O)Nc1cncnc1 AIFCHEM-94605354528 [1,0,0,0,0,0|2,0,0]=3 30 B12R1.75 CC(=Cc1ccccc1CN)C AIFCHEM-94574476536 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.75 CC(=Cc1cnccc1CO)C AIFCHEM-6311907824 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.75 CC(=Cc1ncccc1CO)C AIFCHEM-6376839449 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.75 CC(=O)Nc1cccnc1CO AIFCHEM-94535597140 [0,1,0,0,0,0|1,0,0]=2 34 B12R1.75 COc1ccccc1NC(=O)C AIFCHEM-94535590793 [0,1,0,0,0,0|0,0,0]=1 35 B12R1.75 COc1cccnc1NC(=O)C AIFCHEM-94605337123 [0,1,0,0,0,0|1,0,0]=2 36 B12R1.75 COc1ccncc1NC(=O)C AIFCHEM-94535595506 [0,1,0,0,0,0|1,0,0]=2 37 B12R1.75 CSc1ccccc1NC(=O)C AIFCHEM-5786942629 [0,1,0,0,0,0|0,1,0]=2 38 B12R1.75 CSc1cccnc1NC(=O)C AIFCHEM-94605347963 [0,1,0,0,0,0|1,1,0]=3 39 B12R1.124 CC(=O)N(C)c1ccccc1F AIFCHEM-94605348690 [0,1,0,0,0,0|1,0,0]=2 40 B12R1.124 CC(=O)N(C)c1ccccc1O AIFCHEM-94535598018 [0,1,0,0,0,0|0,0,0]=1 41 B12R1.127 CC(=Cc1cc(ccc1N)F)C AIFCHEM-5595307750 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.127 CC(=Cc1cc(ccc1O)N)C AIFCHEM-6050835391 [0,1,0,0,0,0|2,0,0]=3 43 B12R1.127 CC(=O)Nc1cc(c[nH]c1=O)Br AIFCHEM-94605358198 [0,1,0,0,0,0|1,0,1]=3 44 B12R1.127 CC(=O)Nc1cc(c[nH]c1=O)Cl AIFCHEM-6033893188 [0,1,0,0,0,0|1,0,1]=3 45 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br AIFCHEM-94570348023 [0,1,0,0,0,0|1,0,0]=2 46 B12R1.127 CC(=O)Nc1cc(ccc1Br)I AIFCHEM-5708441140 [0,1,0,0,0,0|1,0,0]=2 47 B12R1.127 CC(=O)Nc1cc(ccc1C)C AIFCHEM-5778903028 [0,1,0,0,0,0|1,0,0]=2 48 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl AIFCHEM-94528739919 [0,1,0,0,0,0|1,0,0]=2 49 B12R1.127 CC(=O)Nc1cc(ccc1F)Br AIFCHEM-94535595050 [0,1,0,0,0,0|1,0,0]=2 50 B12R1.127 CC(=O)Nc1cc(ccc1I)Br AIFCHEM-94535598373 [0,1,0,0,0,0|1,0,0]=2 51 B12R1.127 CC(=O)Nc1cc(ccc1I)F AIFCHEM-94535594622 [0,1,0,0,0,0|1,0,0]=2 52 B12R1.127 CC(=O)Nc1cc(ccc1O)C AIFCHEM-94535601312 [0,1,0,0,0,0|0,0,0]=1 53 B12R1.127 CC(=O)Nc1cc(cnc1C)Cl AIFCHEM-94605357325 [0,1,0,0,0,0|2,0,0]=3 54 B12R1.127 CC(=O)Nc1cc(ncc1C)O AIFCHEM-94605358045 [0,1,0,0,0,0|2,0,0]=3 55 B12R1.127 CC(=O)Nc1nc(ccc1Br)O AIFCHEM-94605353722 [0,1,0,0,0,0|2,0,0]=3 56 B12R1.127 CC(=O)Nc1nc(ncc1C)Br AIFCHEM-94595758146 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.224 CC(=Cc1cccc(c1F)C)C AIFCHEM-6427994393 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.224 CC(=Cc1cccc(c1F)O)C AIFCHEM-6326140949 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.224 CC(=Cc1cccc(c1N)C)C AIFCHEM-5962175613 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.224 CC(=Cc1cccc(c1N)F)C AIFCHEM-5926630100 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.224 CC(=Cc1cccc(c1O)O)C AIFCHEM-6309171139 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.224 CC(=O)Nc1c[nH]cc(c1=O)Br AIFCHEM-5726864158 [0,1,0,0,0,0|1,0,1]=3 63 B12R1.224 CC(=O)Nc1cccc(c1Br)C AIFCHEM-94605354110 [0,1,0,0,0,0|1,0,0]=2 64 B12R1.224 CC(=O)Nc1cccc(c1C)F AIFCHEM-94585185229 [0,1,0,0,0,0|1,0,0]=2 65 B12R1.224 CC(=O)Nc1cccc(c1C)O AIFCHEM-94535597217 [0,1,0,0,0,0|1,0,0]=2 66 B12R1.224 CC(=O)Nc1cccc(c1Cl)C AIFCHEM-94605351725 [0,1,0,0,0,0|1,0,0]=2 67 B12R1.224 CC(=O)Nc1cccc(c1Cl)F AIFCHEM-94535593864 [0,1,0,0,0,0|1,0,0]=2 68 B12R1.224 CC(=O)Nc1cccc(c1F)Br AIFCHEM-5895640094 [0,1,0,0,0,0|1,0,0]=2 69 B12R1.224 CC(=O)Nc1cccc(c1F)Cl AIFCHEM-94535593783 [0,1,0,0,0,0|1,0,0]=2 70 B12R1.224 CC(=O)Nc1cccc(c1O)F AIFCHEM-94535597309 [0,1,0,0,0,0|0,0,0]=1 71 B12R1.224 CC(=O)Nc1ccnc(c1C)C AIFCHEM-94535589930 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.224 CC(=O)Nc1ccnc(c1Cl)O AIFCHEM-94605354162 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.224 CC(=O)Nc1nccc(c1C)F AIFCHEM-94605342177 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.233 CC(=Cc1ccc(cc1C)N)C AIFCHEM-5668076152 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br AIFCHEM-94544669425 [0,1,0,0,0,0|1,0,0]=2 76 B12R1.233 CC(=O)Nc1ccc(cc1Br)I AIFCHEM-6165339609 [0,1,0,0,0,0|1,0,0]=2 77 B12R1.233 CC(=O)Nc1ccc(cc1C)I AIFCHEM-6211268315 [0,1,0,0,0,0|1,0,0]=2 78 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O AIFCHEM-94588750029 [0,1,0,0,0,0|1,0,0]=2 79 B12R1.233 CC(=O)Nc1ccc(cc1F)Br AIFCHEM-94536063608 [0,1,0,0,0,0|1,0,0]=2 80 B12R1.233 CC(=O)Nc1ccc(cc1F)O AIFCHEM-94576186146 [0,1,0,0,0,0|1,0,0]=2 81 B12R1.233 CC(=O)Nc1ccc(cc1I)Br AIFCHEM-6059213040 [0,1,0,0,0,0|1,0,0]=2 82 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl AIFCHEM-94605351667 [0,1,0,0,0,0|0,0,0]=1 83 B12R1.233 CC(=O)Nc1cnc(nc1Cl)C AIFCHEM-94605348859 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.233 CC(=O)Nc1ncc(cc1F)Br AIFCHEM-94535599263 [0,1,0,0,0,0|2,0,0]=3 85 B12R1.371 C#CC(=O)Nc1ccccc1I AIFCHEM-94525200532 [0,1,0,0,0,0|1,0,1]=3 86 B12R1.371 C#CC(=O)Nc1ncccc1C AIFCHEM-94525194606 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.371 CC(CO)Nc1ccccc1O AIFCHEM-94521333642 [0,1,0,0,0,0|0,0,2]=3 88 B12R1.371 CCC(=O)Nc1cccnc1C AIFCHEM-94526506476 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.371 CCC(=O)Nc1ccn[nH]c1=O AIFCHEM-94526508379 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.371 CCC(=O)Nc1ccncc1Br AIFCHEM-94526501822 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.371 CCC(=O)Nc1ccncc1C AIFCHEM-94526504326 [0,1,0,0,0,0|2,0,0]=3 92 B12R1.371 CCC(=O)Nc1ncccc1C AIFCHEM-94526503053 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.371 CCC(=O)Nc1nccnc1C AIFCHEM-94526504310 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.371 CCN(C)Cc1ccccc1O AIFCHEM-94563261019 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.371 Cc1cnncc1NC(=O)CO AIFCHEM-94558489202 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.371 O=C(CO)Nc1ccccc1I AIFCHEM-94532684184 [0,1,0,0,0,0|1,0,0]=2 97 B12R1.371 O=C(CO)Nc1ccn[nH]c1=O AIFCHEM-94532683584 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.371 O=C(CO)Nc1ccncc1O AIFCHEM-94532683263 [0,1,0,0,0,0|1,0,0]=2 99 B12R1.371 O=C(CO)Nc1cnccc1I AIFCHEM-94532674635 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.371 O=C(CO)Nc1cncnc1I AIFCHEM-94532687309 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.371 O=C(CO)Nc1ncccc1F AIFCHEM-94532680083 [0,1,0,0,0,0|2,0,0]=3 102 B12R1.1009 CC(=O)Nc1c(cccc1Cl)Cl AIFCHEM-94594112755 [0,1,0,0,0,0|1,0,0]=2 103 B12R1.1009 CC(=O)Nc1c(cccc1Cl)O AIFCHEM-94605354309 [0,1,0,0,0,0|0,0,0]=1 104 B12R1.1009 CC(=O)Nc1c(cccc1F)F AIFCHEM-5989018381 [0,1,0,0,0,0|1,0,0]=2 105 B12R1.1009 CC(=O)Nc1c(ccnc1O)C AIFCHEM-94547023395 [0,1,0,0,0,0|1,0,0]=2 106 B12R1.1009 CC(=O)Nc1c(cn[nH]c1=O)Cl AIFCHEM-6085588373 [0,1,0,0,0,0|2,0,1]=4 107 B12R1.1009 CC(=O)Nc1c(cncc1Br)F AIFCHEM-94605341854 [0,1,0,0,0,0|2,0,0]=3 108 B12R1.1009 CC(=O)Nc1c(cncc1C)C AIFCHEM-94605353199 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.1009 CC(=O)Nc1c(cncc1Cl)C AIFCHEM-94605358161 [0,1,0,0,0,0|2,0,0]=3 110 B12R1.1009 CC(=O)Nc1c(cncc1I)F AIFCHEM-94605346259 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.64 CC(=O)Nc1c[nH]nc1Br AIFCHEM-6087845302 [0,0,0,0,1,0|3,0,0]=4 112 B10R1.64 CC(=O)Nc1c[nH]nc1Cl AIFCHEM-94605337358 [0,0,0,0,1,0|3,0,0]=4 113 B10R1.64 CC(=O)Nc1n[nH]cc1I AIFCHEM-5868162988 [0,0,0,0,1,0|3,0,0]=4 114 B12R1.125 CC(=O)NCc1ccccc1Br AIFCHEM-94605352816 [0,0,0,0,0,1|1,0,0]=2 115 B12R1.125 CC(=O)NCc1ccccc1O AIFCHEM-94535601059 [0,0,0,0,0,1|0,0,0]=1 116 B12R1.125 CC(C)CNc1ccccc1F AIFCHEM-94582105931 [0,0,0,0,0,1|2,0,1]=4 117 B12R1.125 CC(C)CNc1cccnc1O AIFCHEM-94572979736 [0,0,0,0,0,1|2,0,1]=4 118 B12R1.125 CC(C)NCc1ccccc1O AIFCHEM-94532460180 [0,0,0,0,0,1|1,0,1]=3 119 B12R1.125 CC(C)NCc1cccnc1O AIFCHEM-94541098053 [0,0,0,0,0,1|2,0,1]=4 120 B12R1.125 CC(C)NCc1ccncc1O AIFCHEM-94520538410 [0,0,0,0,0,1|2,0,1]=4 121 B12R1.125 CC(C)NCc1cnccc1O AIFCHEM-94520542511 [0,0,0,0,0,1|2,0,1]=4 122 B9R1.8 CCNc1ccccn1 AIFCHEM-94537422158 [2,0,0,0,0,0|1,0,1]=4 123 B11R1.13 CC=Cc1cccc(c1F)C AIFCHEM-6455532601 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.13 CC=Cc1cccc(c1N)F AIFCHEM-5998211410 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.13 CC=Cc1cccc(c1O)O AIFCHEM-6323013271 [1,1,0,0,0,0|1,0,0]=3 126 B11R1.13 CCNc1cccc(c1C)I AIFCHEM-94537416735 [1,1,0,0,0,0|1,0,1]=4 127 B11R1.13 CCNc1cccc(c1Cl)C AIFCHEM-94537419793 [1,1,0,0,0,0|1,0,1]=4 128 B11R1.13 CCNc1cccc(c1Cl)Cl AIFCHEM-94537423466 [1,1,0,0,0,0|1,0,1]=4 129 B11R1.13 CCNc1cccc(c1Cl)F AIFCHEM-94537418350 [1,1,0,0,0,0|1,0,1]=4 130 B11R1.13 CCNc1cccc(c1I)Br AIFCHEM-94537415858 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.13 CCNc1cccc(c1I)F AIFCHEM-94537413542 [1,1,0,0,0,0|1,0,1]=4 132 B11R1.13 CCNc1cccc(c1O)Br AIFCHEM-94537419676 [1,1,0,0,0,0|0,0,1]=3 133 B11R1.13 CCNc1cccc(c1O)I AIFCHEM-94537427792 [1,1,0,0,0,0|0,0,1]=3 134 B11R1.17 CCCNc1ccccc1F AIFCHEM-94569019341 [1,1,0,0,0,0|1,0,1]=4 135 B11R1.17 CCCNc1cccnc1O AIFCHEM-94569017482 [1,1,0,0,0,0|1,0,1]=4 136 B11R1.17 CCCNc1ncccc1O AIFCHEM-94569013697 [1,1,0,0,0,0|1,0,1]=4 137 B11R1.17 CCNCc1ccccc1F AIFCHEM-94520796946 [1,1,0,0,0,0|1,0,1]=4 138 B11R1.17 CCNCc1ccccc1O AIFCHEM-94537427248 [1,1,0,0,0,0|0,0,1]=3 139 B11R1.17 OCC=Cc1ccccc1O AIFCHEM-6364368587 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.41 CC=Cc1cnccc1OC AIFCHEM-6384380509 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.41 CC=Cc1ncccc1CO AIFCHEM-6367919885 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.41 CCNc1cccnc1CO AIFCHEM-94537422403 [1,1,0,0,0,0|1,0,1]=4 143 B11R1.41 CCNc1ccncc1OC AIFCHEM-94537422401 [1,1,0,0,0,0|1,0,1]=4 144 B11R1.41 CCNc1ncccc1CO AIFCHEM-94537418922 [1,1,0,0,0,0|1,0,1]=4 145 B11R1.81 CC=Cc1ccc(cc1C)C AIFCHEM-94527147474 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.81 CC=Cc1ccc(cc1F)C AIFCHEM-6296674060 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.81 CC=Cc1ccc(cc1F)O AIFCHEM-6364616607 [1,1,0,0,0,0|2,0,0]=4 148 B11R1.81 CCNc1ccc(cc1Br)Br AIFCHEM-94544662986 [1,1,0,0,0,0|1,0,1]=4 149 B11R1.81 CCNc1ccc(cc1Br)F AIFCHEM-94537411222 [1,1,0,0,0,0|1,0,1]=4 150 B11R1.81 CCNc1ccc(cc1Br)I AIFCHEM-94537419864 [1,1,0,0,0,0|1,0,1]=4 151 B11R1.81 CCNc1ccc(cc1C)Cl AIFCHEM-94537427516 [1,1,0,0,0,0|1,0,1]=4 152 B11R1.81 CCNc1ccc(cc1C)I AIFCHEM-94537414463 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.81 CCNc1ccc(cc1Cl)F AIFCHEM-94537418246 [1,1,0,0,0,0|1,0,1]=4 154 B11R1.81 CCNc1ccc(cc1Cl)O AIFCHEM-94537416872 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.81 CCNc1ccc(cc1F)O AIFCHEM-94576179707 [1,1,0,0,0,0|1,0,1]=4 156 B11R1.81 CCNc1ccc(cc1I)Br AIFCHEM-94537424205 [1,1,0,0,0,0|1,0,1]=4 157 B11R1.81 CCNc1ccc(cc1I)C AIFCHEM-94537419831 [1,1,0,0,0,0|1,0,1]=4 158 B11R1.81 CCNc1ncc(cc1O)Br AIFCHEM-94537421209 [1,1,0,0,0,0|1,0,1]=4 159 B11R1.81 CCNc1ncc(cc1O)Cl AIFCHEM-94537421390 [1,1,0,0,0,0|1,0,1]=4 160 B11R1.182 CC=Cc1cc(ccc1N)N AIFCHEM-6397726964 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.182 CCNc1cc(ccc1Br)F AIFCHEM-94537411223 [1,1,0,0,0,0|1,0,1]=4 162 B11R1.182 CCNc1cc(ccc1Br)O AIFCHEM-94537411237 [1,1,0,0,0,0|1,0,1]=4 163 B11R1.182 CCNc1cc(ccc1C)O AIFCHEM-94537419711 [1,1,0,0,0,0|1,0,1]=4 164 B11R1.182 CCNc1cc(ccc1Cl)Br AIFCHEM-94537423469 [1,1,0,0,0,0|1,0,1]=4 165 B11R1.182 CCNc1cc(ccc1Cl)Cl AIFCHEM-94586538814 [1,1,0,0,0,0|1,0,1]=4 166 B11R1.182 CCNc1cc(ccc1I)C AIFCHEM-94537414464 [1,1,0,0,0,0|1,0,1]=4 167 B11R1.222 C/C=C(\C)/c1ccccc1O AIFCHEM-94584219423 [1,1,0,0,0,0|1,0,0]=3 168 B11R1.222 C/C=C(\C)/c1ncccc1O AIFCHEM-94584218309 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.605 CC=Cc1c(cccc1O)C AIFCHEM-6359042356 [1,1,0,0,0,0|1,0,0]=3 170 B11R1.20 CC(=O)Nc1ccc(cn1)C AIFCHEM-5874295902 [1,1,0,0,0,0|1,0,0]=3 171 B11R1.20 CC(=O)Nc1cnc(nc1)C AIFCHEM-94535596160 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.36 CC(=O)N(C)c1ccccn1 AIFCHEM-94605353384 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.36 CC(=O)N(C)c1cccnc1 AIFCHEM-6180237801 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.40 C#CC(=O)Nc1cccnc1 AIFCHEM-94525199177 [1,1,0,0,0,0|1,0,1]=4 175 B11R1.40 CCC(=O)Nc1ccccn1 AIFCHEM-94526506315 [1,1,0,0,0,0|1,0,0]=3 176 B11R1.40 CCC(=O)Nc1cccnn1 AIFCHEM-94554024128 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.40 O=C(CO)Nc1cccnc1 AIFCHEM-94531016168 [1,1,0,0,0,0|1,0,0]=3 178 B11R1.157 CC(=O)Nc1cc(ccn1)O AIFCHEM-94605352203 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.157 CC(=O)Nc1cccc(c1)C AIFCHEM-94605355038 [1,1,0,0,0,0|0,0,0]=2 180 B11R1.157 CC(=O)Nc1cccc(c1)F AIFCHEM-94579356885 [1,1,0,0,0,0|0,0,0]=2 181 B11R1.157 CC(=O)Nc1cccc(c1)I AIFCHEM-94605354864 [1,1,0,0,0,0|0,0,0]=2 182 B11R1.157 CC(=O)Nc1cncc(c1)C AIFCHEM-94524195082 [1,1,0,0,0,0|1,0,0]=3 183 B11R1.157 CC(=O)Nc1cncc(c1)F AIFCHEM-5999042768 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.157 CC(=O)Nc1cncc(n1)C AIFCHEM-5599952056 [1,1,0,0,0,0|2,0,0]=4 185 B13R1.90 COc1ccccc1CNC(C)C AIFCHEM-94520537483 [0,1,0,0,0,1|1,0,1]=4 186 B13R1.90 COc1ccccc1NCC(C)C AIFCHEM-94572986127 [0,1,0,0,0,1|1,0,1]=4 187 B13R1.150 CC(=O)NCc1cccc(c1Cl)F AIFCHEM-94605355735 [0,1,0,0,0,1|1,0,0]=3 188 B13R1.150 CC(=O)NCc1cccc(c1O)Br AIFCHEM-94605347587 [0,1,0,0,0,1|0,0,0]=2 189 B13R1.150 CC(=O)NCc1cccc(c1O)C AIFCHEM-94605348593 [0,1,0,0,0,1|0,0,0]=2 190 B13R1.150 CC(=O)NCc1cccc(c1O)F AIFCHEM-94535593612 [0,1,0,0,0,1|0,0,0]=2 191 B13R1.150 CC(=O)NCc1cccc(c1O)O AIFCHEM-94535589508 [0,1,0,0,0,1|0,0,0]=2 192 B13R1.150 CC(C)NCc1cccc(c1O)Br AIFCHEM-94520538383 [0,1,0,0,0,1|1,0,1]=4 193 B13R1.150 CC(C)NCc1cccc(c1O)Cl AIFCHEM-94520538511 [0,1,0,0,0,1|1,0,1]=4 194 B13R1.150 CC(C)NCc1cccc(c1O)F AIFCHEM-94520540002 [0,1,0,0,0,1|1,0,1]=4 195 B13R1.150 CC(C)NCc1cccc(c1O)I AIFCHEM-94520538997 [0,1,0,0,0,1|1,0,1]=4 196 B13R1.150 Cc1cccc(c1O)CNC(C)C AIFCHEM-94520542072 [0,1,0,0,0,1|1,0,1]=4 197 B13R1.150 Cc1cccc(c1O)NCC(C)C AIFCHEM-94572976221 [0,1,0,0,0,1|1,0,1]=4 198 B13R1.157 CC(C)(C)NCc1ccccc1O AIFCHEM-94589408718 [0,1,0,0,0,1|1,0,1]=4 199 B13R1.164 CC(=O)NCc1ccc(cc1C)Br AIFCHEM-94574541023 [0,1,0,0,0,1|1,0,0]=3 200 B13R1.164 CC(=O)NCc1ccc(cc1C)C AIFCHEM-94605357867 [0,1,0,0,0,1|1,0,0]=3 201 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Cl AIFCHEM-94535599161 [0,1,0,0,0,1|1,0,0]=3 202 B13R1.164 CC(=O)NCc1ccc(cc1F)C AIFCHEM-94535599453 [0,1,0,0,0,1|1,0,0]=3 203 B13R1.164 CC(=O)NCc1ccc(cc1O)Br AIFCHEM-94605348591 [0,1,0,0,0,1|0,0,0]=2 204 B13R1.164 CC(=O)NCc1ccc(cc1O)F AIFCHEM-94535600212 [0,1,0,0,0,1|0,0,0]=2 205 B13R1.164 CC(=O)NCc1ncc(cc1Br)F AIFCHEM-5769439965 [0,1,0,0,0,1|2,0,0]=4 206 B13R1.164 CC(C)NCc1ccc(cc1O)Br AIFCHEM-94520538925 [0,1,0,0,0,1|1,0,1]=4 207 B13R1.164 CC(C)NCc1ccc(cc1O)Cl AIFCHEM-94520539048 [0,1,0,0,0,1|1,0,1]=4 208 B13R1.164 CC(C)NCc1ccc(cc1O)F AIFCHEM-94520539739 [0,1,0,0,0,1|1,0,1]=4 209 B13R1.164 CC(C)NCc1ccc(cc1O)I AIFCHEM-94520539944 [0,1,0,0,0,1|1,0,1]=4 210 B13R1.164 CC(C)NCc1ccc(cc1O)O AIFCHEM-94520542825 [0,1,0,0,0,1|1,0,1]=4 211 B13R1.164 Cc1ccc(c(c1)O)CNC(C)C AIFCHEM-94520541623 [0,1,0,0,0,1|1,0,1]=4 212 B13R1.201 CC(=O)NC(C)c1ccccc1C AIFCHEM-6031738269 [0,1,0,0,0,1|1,0,0]=3 213 B13R1.201 CC(=O)NC(C)c1ccccc1O AIFCHEM-94603821401 [0,1,0,0,0,1|0,0,0]=2 214 B13R1.201 CC(=O)N[C@@H](C)c1ccccc1C AIFCHEM-94549756172 [0,1,0,0,0,1|1,0,0]=3 215 B13R1.201 CC(=O)N[C@@H](C)c1ccccc1O AIFCHEM-94543560091 [0,1,0,0,0,1|0,0,0]=2 216 B13R1.201 CC(=O)N[C@H](C)c1ccccc1C AIFCHEM-94535588497 [0,1,0,0,0,1|1,0,0]=3 217 B13R1.201 CC(=O)N[C@H](C)c1ccccc1O AIFCHEM-94535590096 [0,1,0,0,0,1|0,0,0]=2 218 B13R1.202 CC(=O)N(C)Cc1ccccc1O AIFCHEM-94535597948 [0,1,0,0,0,1|0,0,0]=2 219 B13R1.202 CC(C)N(C)Cc1ccccc1O AIFCHEM-94547941496 [0,1,0,0,0,1|1,0,1]=4 220 B13R1.202 CC(O)C(C)Nc1ccccc1O AIFCHEM-94547074591 [0,1,0,0,0,1|0,0,2]=4 221 B13R1.528 C#CC(=O)NCc1ccccc1C AIFCHEM-94525203031 [0,1,0,0,0,1|1,0,1]=4 222 B13R1.528 C#CC(=O)NCc1ccccc1Cl AIFCHEM-94525203032 [0,1,0,0,0,1|1,0,1]=4 223 B13R1.528 C#CC(=O)NCc1ccccc1O AIFCHEM-94592072286 [0,1,0,0,0,1|0,0,1]=3 224 B13R1.528 CC(C#N)NCc1ccccc1O AIFCHEM-94532468893 [0,1,0,0,0,1|1,0,1]=4 225 B13R1.528 CC(CF)NCc1ccccc1O AIFCHEM-94532471253 [0,1,0,0,0,1|1,0,1]=4 226 B13R1.528 CC(CO)NCc1ccccc1O AIFCHEM-94532467701 [0,1,0,0,0,1|0,0,2]=4 227 B13R1.528 CCC(=O)NCc1ccccc1C AIFCHEM-94526511478 [0,1,0,0,0,1|1,0,0]=3 228 B13R1.528 CCC(=O)NCc1ccccc1O AIFCHEM-94592074375 [0,1,0,0,0,1|0,0,0]=2 229 B13R1.528 CCC(=O)NCc1ccncc1F AIFCHEM-94526511127 [0,1,0,0,0,1|2,0,0]=4 230 B13R1.528 CCC(=O)NCc1cnccc1C AIFCHEM-94526502485 [0,1,0,0,0,1|2,0,0]=4 231 B13R1.528 CCC(=O)NCc1ncccc1Br AIFCHEM-94526499382 [0,1,0,0,0,1|2,0,0]=4 232 B13R1.528 CCC(=O)NCc1ncccc1C AIFCHEM-94526506664 [0,1,0,0,0,1|2,0,0]=4 233 B13R1.528 CCC(=O)NCc1ncccc1F AIFCHEM-94526506171 [0,1,0,0,0,1|2,0,0]=4 234 B13R1.528 C[C@@H](CF)NCc1ccccc1O AIFCHEM-94532465968 [0,1,0,0,0,1|1,0,1]=4 235 B13R1.528 C[C@@H](CO)NCc1ccccc1O AIFCHEM-94532463697 [0,1,0,0,0,1|0,0,2]=4 236 B13R1.528 C[C@H](CF)NCc1ccccc1O AIFCHEM-94532463673 [0,1,0,0,0,1|1,0,1]=4 237 B13R1.528 C[C@H](CO)NCc1ccccc1O AIFCHEM-94532464764 [0,1,0,0,0,1|0,0,2]=4 238 B13R1.528 O=C(CO)NCc1ccccc1Br AIFCHEM-5867710510 [0,1,0,0,0,1|1,0,0]=3 239 B13R1.528 O=C(CO)NCc1ccccc1I AIFCHEM-94532682311 [0,1,0,0,0,1|1,0,0]=3 240 B13R1.528 O=C(CO)NCc1ccccc1O AIFCHEM-94532675766 [0,1,0,0,0,1|0,0,0]=2 241 B13R1.528 O=C(CO)NCc1ccncc1Br AIFCHEM-94532679734 [0,1,0,0,0,1|2,0,0]=4 242 B13R1.528 O=C(CO)NCc1ncccc1Br AIFCHEM-94532674587 [0,1,0,0,0,1|2,0,0]=4 243 B13R1.528 O=C(CO)NCc1ncccc1Cl AIFCHEM-94532683009 [0,1,0,0,0,1|2,0,0]=4 244 B13R1.893 CC(=O)NCc1cc(ccc1C)Cl AIFCHEM-94570248829 [0,1,0,0,0,1|1,0,0]=3 245 B13R1.893 CC(=O)NCc1cc(ccc1F)Br AIFCHEM-94605348980 [0,1,0,0,0,1|1,0,0]=3 246 B13R1.893 CC(=O)NCc1cc(ccc1O)Br AIFCHEM-94535592844 [0,1,0,0,0,1|0,0,0]=2 247 B13R1.893 CC(=O)NCc1cc(ccc1O)C AIFCHEM-94577951124 [0,1,0,0,0,1|0,0,0]=2 248 B13R1.893 CC(=O)NCc1cc(ccc1O)Cl AIFCHEM-94535596130 [0,1,0,0,0,1|0,0,0]=2 249 B13R1.893 CC(=O)NCc1cc(ccc1O)F AIFCHEM-94535589094 [0,1,0,0,0,1|0,0,0]=2 250 B13R1.893 CC(C)NCc1cc(ccc1O)Br AIFCHEM-94520538269 [0,1,0,0,0,1|1,0,1]=4 251 B13R1.893 CC(C)NCc1cc(ccc1O)Cl AIFCHEM-94520541330 [0,1,0,0,0,1|1,0,1]=4 252 B13R1.893 CC(C)NCc1cc(ccc1O)F AIFCHEM-94520539726 [0,1,0,0,0,1|1,0,1]=4 253 B13R1.893 CC(C)NCc1cc(ccc1O)I AIFCHEM-94520538270 [0,1,0,0,0,1|1,0,1]=4 254 B13R1.893 CC(C)NCc1cc(ccc1O)O AIFCHEM-94520536935 [0,1,0,0,0,1|1,0,1]=4 255 B13R1.893 Cc1ccc(c(c1)CNC(C)C)O AIFCHEM-94520541173 [0,1,0,0,0,1|1,0,1]=4 256 B13R1.3787 CC(=O)NCc1c(cccc1Br)O AIFCHEM-94535594124 [0,1,0,0,0,1|0,0,0]=2 257 B13R1.3787 CC(=O)NCc1c(cccc1F)C AIFCHEM-6163991500 [0,1,0,0,0,1|1,0,0]=3 258 B13R1.3787 CC(=O)NCc1c(cccc1F)O AIFCHEM-94535593728 [0,1,0,0,0,1|0,0,0]=2 259 B13R1.3787 CC(C)NCc1c(cccc1Cl)O AIFCHEM-94520538393 [0,1,0,0,0,1|1,0,1]=4 260 B13R1.3787 CC(C)NCc1c(cccc1F)O AIFCHEM-94520539949 [0,1,0,0,0,1|1,0,1]=4 261 B13R1.3787 CC(C)NCc1c(cccc1I)O AIFCHEM-94520539943 [0,1,0,0,0,1|1,0,1]=4 262 B13R1.51 C#Cc1cc(ccc1NC(=O)C)Cl AIFCHEM-94535596343 [0,2,0,0,0,0|1,0,0]=3 263 B13R1.51 CC(=Cc1ccc(cc1CO)F)C AIFCHEM-6323844311 [0,2,0,0,0,0|2,0,0]=4 264 B13R1.51 CC(=Cc1ccc(cc1CO)N)C AIFCHEM-6396112265 [0,2,0,0,0,0|2,0,0]=4 265 B13R1.51 CC(=O)Nc1ccc(cc1C#N)Br AIFCHEM-94535596096 [0,2,0,0,0,0|1,0,0]=3 266 B13R1.51 CC(=O)Nc1ccc(cc1C#N)Cl AIFCHEM-94605354540 [0,2,0,0,0,0|1,0,0]=3 267 B13R1.51 CC(=O)Nc1ncc(cc1CO)F AIFCHEM-94535588720 [0,2,0,0,0,0|1,0,0]=3 268 B13R1.51 COc1cc(cnc1NC(=O)C)Br AIFCHEM-5777331689 [0,2,0,0,0,0|1,0,0]=3 269 B13R1.51 COc1nc(ccc1NC(=O)C)C AIFCHEM-5648553749 [0,2,0,0,0,0|1,0,0]=3 270 B13R1.91 C#CC(=O)Nc1ccccc1CC AIFCHEM-94525200180 [0,2,0,0,0,0|1,0,1]=4 271 B13R1.91 C#CC(=O)Nc1cccnc1CO AIFCHEM-94525199615 [0,2,0,0,0,0|1,0,1]=4 272 B13R1.91 CC(CO)Nc1ccccc1CO AIFCHEM-6508659038 [0,2,0,0,0,0|0,0,2]=4 273 B13R1.91 CCC(=O)Nc1cnccc1CO AIFCHEM-94526502807 [0,2,0,0,0,0|1,0,0]=3 274 B13R1.91 CCC(=O)Nc1cncnc1OC AIFCHEM-94526502910 [0,2,0,0,0,0|2,0,0]=4 275 B13R1.91 CCC(=O)Nc1ncccc1SC AIFCHEM-94526503907 [0,2,0,0,0,0|1,1,0]=4 276 B13R1.91 CCc1ccccc1NC(=O)CO AIFCHEM-94532683832 [0,2,0,0,0,0|1,0,0]=3 277 B13R1.91 COc1ccncc1NC(=O)CO AIFCHEM-94532681633 [0,2,0,0,0,0|1,0,0]=3 278 B13R1.115 CC(=Cc1cccc(c1CO)C)C AIFCHEM-6379396449 [0,2,0,0,0,0|2,0,0]=4 279 B13R1.115 CC(=Cc1cccc(c1CO)F)C AIFCHEM-6315978130 [0,2,0,0,0,0|2,0,0]=4 280 B13R1.115 COc1c(cccc1C=C(C)C)N AIFCHEM-6101690907 [0,2,0,0,0,0|2,0,0]=4 281 B13R1.115 COc1c(cccc1NC(=O)C)Br AIFCHEM-6173479130 [0,2,0,0,0,0|0,0,0]=2 282 B13R1.115 COc1c(cccc1NC(=O)C)C AIFCHEM-94605347773 [0,2,0,0,0,0|0,0,0]=2 283 B13R1.115 COc1c(cccc1NC(=O)C)Cl AIFCHEM-6009483543 [0,2,0,0,0,0|0,0,0]=2 284 B13R1.115 COc1c(ccnc1C)NC(=O)C AIFCHEM-94605346071 [0,2,0,0,0,0|1,0,0]=3 285 B13R1.380 CC=Cc1ccncc1NC(=O)C AIFCHEM-2341130915 [0,2,0,0,0,0|2,0,0]=4 286 B13R1.380 CC=Cc1ncccc1NC(=O)C AIFCHEM-35985292680 [0,2,0,0,0,0|2,0,0]=4 287 B13R1.589 CC(=O)Nc1ncccc1C(C)C AIFCHEM-6104457973 [0,2,0,0,0,0|2,0,0]=4 288 B13R1.2135 CC(=Cc1c(cccc1CO)C)C AIFCHEM-6335001284 [0,2,0,0,0,0|2,0,0]=4 289 B13R1.2135 COc1cccc(c1C=C(C)C)O AIFCHEM-6296492856 [0,2,0,0,0,0|2,0,0]=4 290 B13R1.696 C#CC(=O)N(C)c1ccccc1Br AIFCHEM-94525201196 [0,2,0,0,0,0|1,0,1]=4 291 B13R1.696 CN(C(=O)CO)c1ccccc1Br AIFCHEM-94532684848 [0,2,0,0,0,0|1,0,0]=3 292 B13R1.696 CN(C(=O)CO)c1ccccc1O AIFCHEM-94532684145 [0,2,0,0,0,0|0,0,0]=2 293 B13R1.897 CC(=O)N(C)c1cc(ccc1Cl)Cl AIFCHEM-5944835847 [0,2,0,0,0,0|1,0,0]=3 294 B13R1.3789 CC(=O)N(C)c1c(cccc1C)C AIFCHEM-94535599408 [0,2,0,0,0,0|1,0,0]=3 295 B13R1.97 COc1cc(c(cn1)C)NC(=O)C AIFCHEM-5601383113 [0,2,0,0,0,0|2,0,0]=4 296 B13R1.876 CC(=Cc1cc(c(cc1O)F)N)C AIFCHEM-94540399628 [0,2,0,0,0,0|2,0,0]=4 297 B13R1.876 CC(=O)Nc1cc(c(cc1Br)Br)F AIFCHEM-94605335321 [0,2,0,0,0,0|1,0,0]=3 298 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)F AIFCHEM-94535593524 [0,2,0,0,0,0|1,0,0]=3 299 B13R1.876 CC(=O)Nc1cc(c(cc1Br)F)Br AIFCHEM-94535592539 [0,2,0,0,0,0|1,0,0]=3 300 B13R1.876 CC(=O)Nc1cc(c(cc1Br)O)Br AIFCHEM-94605356952 [0,2,0,0,0,0|1,0,0]=3 301 B13R1.876 CC(=O)Nc1cc(c(cc1C)C)Br AIFCHEM-6235944589 [0,2,0,0,0,0|1,0,0]=3 302 B13R1.876 CC(=O)Nc1cc(c(cc1C)F)Br AIFCHEM-94535598199 [0,2,0,0,0,0|1,0,0]=3 303 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)F AIFCHEM-5801843501 [0,2,0,0,0,0|1,0,0]=3 304 B13R1.876 CC(=O)Nc1cc(c(cc1I)Br)C AIFCHEM-94605346368 [0,2,0,0,0,0|1,0,0]=3 305 B13R1.876 CC(=O)Nc1cc(c(cc1I)C)Br AIFCHEM-94535592321 [0,2,0,0,0,0|1,0,0]=3 306 B13R1.876 CC(=O)Nc1cc(c(cc1I)C)C AIFCHEM-94535589288 [0,2,0,0,0,0|1,0,0]=3 307 B13R1.876 CC(=O)Nc1cc(c(cc1I)Cl)F AIFCHEM-94605339164 [0,2,0,0,0,0|1,0,0]=3 308 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Br AIFCHEM-94535588335 [0,2,0,0,0,0|0,0,0]=2 309 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)F AIFCHEM-94605351671 [0,2,0,0,0,0|0,0,0]=2 310 B13R1.885 CC(=Cc1c(ccc(c1O)F)C)C AIFCHEM-6331209352 [0,2,0,0,0,0|2,0,0]=4 311 B13R1.885 CC(=Cc1c(ccc(c1O)F)F)C AIFCHEM-6454152896 [0,2,0,0,0,0|2,0,0]=4 312 B13R1.885 CC(=Cc1c(ccc(c1O)N)F)C AIFCHEM-6214054819 [0,2,0,0,0,0|2,0,0]=4 313 B13R1.885 CC(=O)Nc1c(ccc(c1C)Cl)Cl AIFCHEM-94535598108 [0,2,0,0,0,0|1,0,0]=3 314 B13R1.885 CC(=O)Nc1c(ccc(c1F)C)Cl AIFCHEM-94605355603 [0,2,0,0,0,0|1,0,0]=3 315 B13R1.885 CC(=O)Nc1c(ccc(c1F)F)F AIFCHEM-5864554788 [0,2,0,0,0,0|1,0,0]=3 316 B13R1.885 CC(=O)Nc1c(ccc(c1F)F)I AIFCHEM-94605347746 [0,2,0,0,0,0|1,0,0]=3 317 B13R1.2816 CC(=O)Nc1cc(cc(c1Br)C)F AIFCHEM-94605345413 [0,2,0,0,0,0|1,0,0]=3 318 B13R1.2816 CC(=O)Nc1cc(cc(c1C)F)Br AIFCHEM-94535600497 [0,2,0,0,0,0|1,0,0]=3 319 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Br)Cl AIFCHEM-5673321472 [0,2,0,0,0,0|1,0,0]=3 320 B13R1.2816 CC(=O)Nc1cc(cc(c1I)F)C AIFCHEM-5886753909 [0,2,0,0,0,0|1,0,0]=3 321 B13R1.2816 CC(=O)Nc1cc(cc(c1I)F)Cl AIFCHEM-94535593713 [0,2,0,0,0,0|1,0,0]=3 322 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Cl AIFCHEM-94535592781 [0,2,0,0,0,0|0,0,0]=2 323 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C AIFCHEM-94605353056 [0,2,0,0,0,0|0,0,0]=2 324 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)Cl AIFCHEM-94605356356 [0,2,0,0,0,0|0,0,0]=2 325 B13R1.2872 C#CC(=O)Nc1cc(ccc1Br)I AIFCHEM-94525191284 [0,2,0,0,0,0|1,0,1]=4 326 B13R1.2872 C#CC(=O)Nc1cc(ccc1C)C AIFCHEM-94525199563 [0,2,0,0,0,0|1,0,1]=4 327 B13R1.2872 C#CC(=O)Nc1cc(ccc1C)Cl AIFCHEM-94525200639 [0,2,0,0,0,0|1,0,1]=4 328 B13R1.2872 C#CC(=O)Nc1cc(ccc1F)I AIFCHEM-94525202950 [0,2,0,0,0,0|1,0,1]=4 329 B13R1.2872 C#CC(=O)Nc1cc(ccc1I)Br AIFCHEM-94525200848 [0,2,0,0,0,0|1,0,1]=4 330 B13R1.2872 C#CC(=O)Nc1cc(ccc1I)C AIFCHEM-94525193160 [0,2,0,0,0,0|1,0,1]=4 331 B13R1.2872 C#CC(=O)Nc1cc(ccc1I)Cl AIFCHEM-94525201188 [0,2,0,0,0,0|1,0,1]=4 332 B13R1.2872 CC(CO)Nc1cc(ccc1O)Cl AIFCHEM-94601090204 [0,2,0,0,0,0|0,0,2]=4 333 B13R1.2872 CCC(=O)Nc1cc(c[nH]c1=O)Cl AIFCHEM-94526512397 [0,2,0,0,0,0|1,0,1]=4 334 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)F AIFCHEM-94526498880 [0,2,0,0,0,0|1,0,0]=3 335 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Br AIFCHEM-94526505972 [0,2,0,0,0,0|1,0,0]=3 336 B13R1.2872 CCC(=O)Nc1cc(ccc1I)C AIFCHEM-94526501607 [0,2,0,0,0,0|1,0,0]=3 337 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Cl AIFCHEM-94526512235 [0,2,0,0,0,0|0,0,0]=2 338 B13R1.2872 CCC(=O)Nc1cc(cnc1C)Br AIFCHEM-94526511806 [0,2,0,0,0,0|2,0,0]=4 339 B13R1.2872 CCC(=O)Nc1cc(cnc1C)C AIFCHEM-94526511580 [0,2,0,0,0,0|2,0,0]=4 340 B13R1.2872 CCC(=O)Nc1cc(ncc1C)C AIFCHEM-94526505039 [0,2,0,0,0,0|2,0,0]=4 341 B13R1.2872 Cc1ccc(c(n1)NC(=O)CO)C AIFCHEM-94532685884 [0,2,0,0,0,0|2,0,0]=4 342 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Br AIFCHEM-94532682233 [0,2,0,0,0,0|1,0,0]=3 343 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Cl AIFCHEM-94528740326 [0,2,0,0,0,0|1,0,0]=3 344 B13R1.2872 Cc1ccc(cc1NC(=O)CO)F AIFCHEM-94532681982 [0,2,0,0,0,0|1,0,0]=3 345 B13R1.2872 Cc1cnc(cc1NC(=O)CO)O AIFCHEM-94532687474 [0,2,0,0,0,0|2,0,0]=4 346 B13R1.2872 Cc1ncc(cc1NC(=O)CO)Br AIFCHEM-94532687011 [0,2,0,0,0,0|2,0,0]=4 347 B13R1.2872 O=C(CO)Nc1cc(ccc1Br)F AIFCHEM-94532674085 [0,2,0,0,0,0|1,0,0]=3 348 B13R1.2872 O=C(CO)Nc1cc(ccc1Cl)Br AIFCHEM-94532684117 [0,2,0,0,0,0|1,0,0]=3 349 B13R1.2872 O=C(CO)Nc1cc(ccc1F)Br AIFCHEM-94532681177 [0,2,0,0,0,0|1,0,0]=3 350 B13R1.2872 O=C(CO)Nc1cc(ccc1I)F AIFCHEM-94532680749 [0,2,0,0,0,0|1,0,0]=3 351 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Br AIFCHEM-94532682433 [0,2,0,0,0,0|0,0,0]=2 352 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Cl AIFCHEM-94532687440 [0,2,0,0,0,0|0,0,0]=2 353 B13R1.2872 O=C(CO)Nc1cc(ccc1O)O AIFCHEM-94523922057 [0,2,0,0,0,0|0,0,0]=2 354 B13R1.40 C#CC(=O)Nc1cccc(c1C)C AIFCHEM-94525202676 [0,2,0,0,0,0|1,0,1]=4 355 B13R1.40 C#CC(=O)Nc1cccc(c1F)F AIFCHEM-94525199102 [0,2,0,0,0,0|1,0,1]=4 356 B13R1.40 C#CC(=O)Nc1cccc(c1O)C AIFCHEM-94525202052 [0,2,0,0,0,0|0,0,1]=3 357 B13R1.40 CC(CO)Nc1cccc(c1O)Cl AIFCHEM-6199020360 [0,2,0,0,0,0|0,0,2]=4 358 B13R1.40 CCC(=O)Nc1cccc(c1Br)C AIFCHEM-94526508334 [0,2,0,0,0,0|1,0,0]=3 359 B13R1.40 CCC(=O)Nc1cccc(c1Br)F AIFCHEM-94526499732 [0,2,0,0,0,0|1,0,0]=3 360 B13R1.40 CCC(=O)Nc1cccc(c1C)Br AIFCHEM-94526503349 [0,2,0,0,0,0|1,0,0]=3 361 B13R1.40 CCC(=O)Nc1cccc(c1F)Br AIFCHEM-94526508710 [0,2,0,0,0,0|1,0,0]=3 362 B13R1.40 CCC(=O)Nc1cccc(c1I)Br AIFCHEM-94526502748 [0,2,0,0,0,0|1,0,0]=3 363 B13R1.40 CCC(=O)Nc1cccc(c1O)Br AIFCHEM-94526505856 [0,2,0,0,0,0|0,0,0]=2 364 B13R1.40 CCC(=O)Nc1nccc(c1C)C AIFCHEM-94526510675 [0,2,0,0,0,0|2,0,0]=4 365 B13R1.40 CCC(=O)Nc1nccc(c1C)Cl AIFCHEM-94526500883 [0,2,0,0,0,0|2,0,0]=4 366 B13R1.40 Cc1c(cccc1NC(=O)CO)Br AIFCHEM-94585214984 [0,2,0,0,0,0|1,0,0]=3 367 B13R1.40 Cc1c(cccc1NC(=O)CO)Cl AIFCHEM-94573684490 [0,2,0,0,0,0|1,0,0]=3 368 B13R1.40 Cc1c(ccnc1NC(=O)CO)Cl AIFCHEM-94532676088 [0,2,0,0,0,0|2,0,0]=4 369 B13R1.40 Cc1c(ccnc1NC(=O)CO)F AIFCHEM-94532676086 [0,2,0,0,0,0|2,0,0]=4 370 B13R1.40 Cc1c(cncc1NC(=O)CO)Cl AIFCHEM-94532686688 [0,2,0,0,0,0|2,0,0]=4 371 B13R1.40 Cc1cccc(c1C)NC(=O)CO AIFCHEM-94532683465 [0,2,0,0,0,0|1,0,0]=3 372 B13R1.40 Cc1cccc(c1I)NC(=O)CO AIFCHEM-94532686784 [0,2,0,0,0,0|1,0,0]=3 373 B13R1.641 CC(=Cc1cccc(c1O)C#N)C AIFCHEM-6363778313 [0,2,0,0,0,0|2,0,0]=4 374 B13R1.641 CC(=Cc1cccc(c1O)CN)C AIFCHEM-6249212467 [0,2,0,0,0,0|2,0,0]=4 375 B13R1.641 COc1cccc(c1Br)NC(=O)C AIFCHEM-94605339514 [0,2,0,0,0,0|1,0,0]=3 376 B13R1.641 COc1cccc(c1F)NC(=O)C AIFCHEM-6276828085 [0,2,0,0,0,0|1,0,0]=3 377 B13R1.3528 CC(=Cc1ccc(c(c1O)C)F)C AIFCHEM-6308255278 [0,2,0,0,0,0|2,0,0]=4 378 B13R1.3528 CC(=O)Nc1ccc(c(c1Br)F)F AIFCHEM-94535588683 [0,2,0,0,0,0|1,0,0]=3 379 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)F AIFCHEM-94535592731 [0,2,0,0,0,0|1,0,0]=3 380 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)Br AIFCHEM-94605350183 [0,2,0,0,0,0|1,0,0]=3 381 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)F AIFCHEM-94535592571 [0,2,0,0,0,0|1,0,0]=3 382 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)F AIFCHEM-94605351223 [0,2,0,0,0,0|1,0,0]=3 383 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)Cl AIFCHEM-94605357042 [0,2,0,0,0,0|1,0,0]=3 384 B13R1.653 CC(=Cc1ccc(cc1O)C=O)C AIFCHEM-6376909943 [0,2,0,0,0,0|2,0,0]=4 385 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C AIFCHEM-94605352062 [0,2,0,0,0,0|1,0,0]=3 386 B13R1.653 COc1ccc(c(c1)C)NC(=O)C AIFCHEM-94555828642 [0,2,0,0,0,0|1,0,0]=3 387 B13R1.2679 C#CC(=O)Nc1ccc(cc1Br)C AIFCHEM-94525664765 [0,2,0,0,0,0|1,0,1]=4 388 B13R1.2679 C#CC(=O)Nc1ccc(cc1Br)O AIFCHEM-94525201691 [0,2,0,0,0,0|1,0,1]=4 389 B13R1.2679 C#CC(=O)Nc1ccc(cc1Cl)Br AIFCHEM-94525198516 [0,2,0,0,0,0|1,0,1]=4 390 B13R1.2679 C#CC(=O)Nc1ccc(cc1F)F AIFCHEM-94525198329 [0,2,0,0,0,0|1,0,1]=4 391 B13R1.2679 C#CC(=O)Nc1ccc(cc1O)Cl AIFCHEM-94525197444 [0,2,0,0,0,0|0,0,1]=3 392 B13R1.2679 CC(CO)Nc1ccc(cc1O)F AIFCHEM-5763726708 [0,2,0,0,0,0|0,0,2]=4 393 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)C AIFCHEM-94526508691 [0,2,0,0,0,0|1,0,0]=3 394 B13R1.2679 CCC(=O)Nc1ccc(cc1C)I AIFCHEM-94526501606 [0,2,0,0,0,0|1,0,0]=3 395 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)Br AIFCHEM-94526506963 [0,2,0,0,0,0|1,0,0]=3 396 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)F AIFCHEM-94526504704 [0,2,0,0,0,0|1,0,0]=3 397 B13R1.2679 CCC(=O)Nc1ccc(cc1F)O AIFCHEM-94576189038 [0,2,0,0,0,0|1,0,0]=3 398 B13R1.2679 CCC(=O)Nc1ccc(cc1O)Cl AIFCHEM-94526505891 [0,2,0,0,0,0|0,0,0]=2 399 B13R1.2679 CCC(=O)Nc1ccc(cc1O)F AIFCHEM-94526508230 [0,2,0,0,0,0|0,0,0]=2 400 B13R1.2679 CCC(=O)Nc1ncc(cc1O)F AIFCHEM-94526498898 [0,2,0,0,0,0|1,0,0]=3 401 B13R1.2679 Cc1ccc(c(c1)C)NC(=O)CO AIFCHEM-94585840423 [0,2,0,0,0,0|1,0,0]=3 402 B13R1.2679 Cc1ccc(c(c1)I)NC(=O)CO AIFCHEM-94532681192 [0,2,0,0,0,0|1,0,0]=3 403 B13R1.2679 Cc1ccc(c(n1)C)NC(=O)CO AIFCHEM-94532681687 [0,2,0,0,0,0|2,0,0]=4 404 B13R1.2679 O=C(CO)Nc1ccc(cc1Br)F AIFCHEM-94532674084 [0,2,0,0,0,0|1,0,0]=3 405 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)F AIFCHEM-94532679909 [0,2,0,0,0,0|1,0,0]=3 406 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)C)Br AIFCHEM-94535598844 [0,2,0,0,0,0|1,0,0]=3 407 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)C)C AIFCHEM-5942761152 [0,2,0,0,0,0|1,0,0]=3 408 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)C)F AIFCHEM-5806936385 [0,2,0,0,0,0|1,0,0]=3 409 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)Cl)F AIFCHEM-94535593291 [0,2,0,0,0,0|1,0,0]=3 410 B13R1.2808 CC(=O)Nc1c(cc(cc1C)Cl)C AIFCHEM-5875707264 [0,2,0,0,0,0|1,0,0]=3 411 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)F)F AIFCHEM-94535595837 [0,2,0,0,0,0|1,0,0]=3 412 B13R1.2808 CC(=O)Nc1c(cc(cc1I)F)F AIFCHEM-94605354458 [0,2,0,0,0,0|1,0,0]=3 413 B13R1.2808 CC(=O)Nc1c(cc(cc1I)I)F AIFCHEM-94535590559 [0,2,0,0,0,0|1,0,0]=3 414 B13R1.2808 CC(=O)Nc1c(cc(cc1O)Br)C AIFCHEM-94535589509 [0,2,0,0,0,0|0,0,0]=2 415 B13R1.470 CC#CC(=O)Nc1ccccc1F AIFCHEM-6046075978 [0,2,0,0,0,0|1,0,0]=3 416 B13R1.470 COCC(=O)Nc1ccncc1Cl AIFCHEM-6029467048 [0,2,0,0,0,0|2,0,0]=4 417 B13R1.470 COCC(=O)Nc1cnccc1Br AIFCHEM-5960765938 [0,2,0,0,0,0|2,0,0]=4 418 B13R1.470 COCC(C)Nc1ccccc1O AIFCHEM-94525218393 [0,2,0,0,0,0|0,0,2]=4 419 B13R1.470 CSCC(=O)Nc1ccccc1C AIFCHEM-94578152707 [0,2,0,0,0,0|1,0,0]=3 420 B13R1.470 CSCC(=O)Nc1ccncc1Br AIFCHEM-5875145012 [0,2,0,0,0,0|2,0,0]=4 421 B13R1.470 CSCC(=O)Nc1ncccc1F AIFCHEM-6045413425 [0,2,0,0,0,0|2,0,0]=4 422 B13R1.470 Cc1ccccc1NC(=O)CCO AIFCHEM-94578154680 [0,2,0,0,0,0|1,0,0]=3 423 B13R1.470 N#CCC(=O)Nc1ccc[nH]c1=O AIFCHEM-94549276285 [0,2,0,0,0,0|1,0,1]=4 424 B13R1.470 N#CCC(=O)Nc1cnccc1Br AIFCHEM-94559915865 [0,2,0,0,0,0|2,0,0]=4 425 B13R1.470 N#CCC(=O)Nc1cnccc1O AIFCHEM-94559919728 [0,2,0,0,0,0|1,0,0]=3 426 B13R1.470 O=C(CCO)Nc1cccnc1O AIFCHEM-94551086196 [0,2,0,0,0,0|1,0,0]=3 427 B13R1.4928 C#CC(=O)Nc1c(cccc1Br)C AIFCHEM-94525199769 [0,2,0,0,0,0|1,0,1]=4 428 B13R1.4928 C#CC(=O)Nc1c(cccc1F)C AIFCHEM-94525199043 [0,2,0,0,0,0|1,0,1]=4 429 B13R1.4928 C#CC(=O)Nc1c(cccc1F)F AIFCHEM-94525199909 [0,2,0,0,0,0|1,0,1]=4 430 B13R1.4928 CCC(=O)Nc1c(cccc1Br)Br AIFCHEM-94526508910 [0,2,0,0,0,0|1,0,0]=3 431 B13R1.4928 CCC(=O)Nc1c(cccc1Br)O AIFCHEM-94526500091 [0,2,0,0,0,0|0,0,0]=2 432 B13R1.4928 CCC(=O)Nc1c(cccc1I)Br AIFCHEM-94526510793 [0,2,0,0,0,0|1,0,0]=3 433 B13R1.4928 CCC(=O)Nc1c(cccc1I)F AIFCHEM-94526511423 [0,2,0,0,0,0|1,0,0]=3 434 B13R1.4928 CCC(=O)Nc1c(ccnc1C)C AIFCHEM-94526499511 [0,2,0,0,0,0|2,0,0]=4 435 B13R1.4928 CCC(=O)Nc1c(cncc1F)C AIFCHEM-94526502155 [0,2,0,0,0,0|2,0,0]=4 436 B13R1.4928 Cc1cccc(c1NC(=O)CO)Br AIFCHEM-94532683421 [0,2,0,0,0,0|1,0,0]=3 437 B13R1.4928 Cc1ccnc(c1NC(=O)CO)C AIFCHEM-94532674716 [0,2,0,0,0,0|2,0,0]=4 438 B13R1.4928 Cc1cncc(c1NC(=O)CO)Br AIFCHEM-94532687591 [0,2,0,0,0,0|2,0,0]=4 439 B13R1.4928 O=C(CO)Nc1c(ncnc1O)O AIFCHEM-94532684930 [0,2,0,0,0,0|2,0,0]=4 440 B11R1.91 CC(=O)NCc1ccccn1 AIFCHEM-5686879180 [0,0,1,1,0,0|1,0,1]=4 441 B11R1.75 CC(=O)NCc1ccc(o1)Br AIFCHEM-94535592842 [0,0,1,1,0,0|1,0,1]=4 442 B13R2.435 CC(=O)N1Cc2ccccc2C1 AIFCHEM-94605352066 [0,0,0,1,0,1|1,0,0]=3 443 B13R2.3587 Oc1ccccc1CNC2CC2 AIFCHEM-94532461455 [0,0,0,1,0,1|1,0,1]=4 444 B13R2.72 CC(=O)N1CCc2c1cncc2 AIFCHEM-5724062776 [0,1,0,1,0,0|2,0,0]=4 445 B13R2.72 CC(=O)N1CCc2c1nccc2 AIFCHEM-6172570028 [0,1,0,1,0,0|2,0,0]=4 446 B13R2.5225 Oc1ccccc1NC2CCC2 AIFCHEM-94591817362 [0,1,0,1,0,0|1,0,1]=4 447 B13R2.5225 Oc1ccccc1NC2COC2 AIFCHEM-94521338319 [0,1,0,1,0,0|0,0,2]=4 448 B9R1.13 CC(=O)Nc1ccn[nH]1 AIFCHEM-94519996923 [1,0,0,0,1,0|2,0,0]=4 449 B9R1.13 CC(=O)Nc1ncco1 AIFCHEM-6274686839 [1,0,0,0,1,0|2,0,0]=4 450 B13R1.158 CC(C)CNCc1ccccc1O AIFCHEM-94572986585 [0,0,0,0,0,2|1,0,1]=4 451 B13R1.158 CC(O)CNCc1ccccc1O AIFCHEM-94558286349 [0,0,0,0,0,2|0,0,2]=4 452 B13R1.158 C[C@@H](O)CNCc1ccccc1O AIFCHEM-94532463768 [0,0,0,0,0,2|0,0,2]=4 453 B13R1.158 C[C@H](O)CNCc1ccccc1O AIFCHEM-94532463769 [0,0,0,0,0,2|0,0,2]=4 454 B13R1.158 NC(=O)CNCc1ccccc1F AIFCHEM-94550118098 [0,0,0,0,0,2|2,0,0]=4 455 B13R1.158 NC(=O)CNCc1ccccc1O AIFCHEM-94550120374 [0,0,0,0,0,2|1,0,0]=3 456 B13R1.158 NC(=O)CNCc1cccnc1O AIFCHEM-94541098548 [0,0,0,0,0,2|2,0,0]=4 457 B13R1.158 O=C(O)CNCc1ccccc1O AIFCHEM-94532467001 [0,0,0,0,0,2|1,0,0]=3 458 B13R1.158 O=C(O)CNCc1cccnc1O AIFCHEM-94541104874 [0,0,0,0,0,2|2,0,0]=4