0 B11R1.22 C/C=C(\C)/c1ccc(cc1)C AIFCHEM-94584220431 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.22 C/C=C(\C)/c1ccc(nc1)O AIFCHEM-94584212304 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.22 C/C=C(\C)/c1cnc(cn1)O AIFCHEM-94584217910 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.22 CCN(C)c1ccc(cc1)Br AIFCHEM-94537424462 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.22 CCN(C)c1ccc(cc1)C AIFCHEM-94537423659 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.22 CCN(C)c1ccc(cc1)I AIFCHEM-94568454920 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.22 CCN(C)c1ccc(cc1)O AIFCHEM-94520567749 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.1 CC=Cc1ccc(cc1)N AIFCHEM-94608719473 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.1 CC=Cc1ccc(cn1)F AIFCHEM-6302156631 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.1 CCNc1ccc(cc1)C AIFCHEM-94537411875 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.1 CCNc1ccc(nc1)O AIFCHEM-94537412774 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.15 C/C=C(\C)/c1ccccn1 AIFCHEM-94584209692 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.5 C/C=C(\C)/c1ccc(cc1)SC AIFCHEM-94584209307 [0,1,0,0,0,0|2,1,0]=4 13 B12R1.5 CCN(C)c1ccc(cc1)OC AIFCHEM-94537411832 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O AIFCHEM-94537411195 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.16 CCN[C@H](C)c1ccc(cc1)O AIFCHEM-94537418040 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.367 C/C=C(\C)/c1ccc(c(c1)F)F AIFCHEM-94584217608 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.367 C/C=C(\C)/c1ccc(c(c1)N)F AIFCHEM-94584216942 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.367 C/C=C(\C)/c1ccc(c(c1)O)N AIFCHEM-94584218023 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.367 C/C=C(\C)/c1ccc(c(c1)O)O AIFCHEM-94584214301 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.1703 C/C=C(\C)/c1ccc(cc1N)N AIFCHEM-94584220466 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.1703 C/C=C(\C)/c1cnc(cc1F)O AIFCHEM-94584214613 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.1703 C/C=C(\C)/c1ncc(cc1C)O AIFCHEM-94584208856 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.49 C#CC(=O)Nc1ccc(cc1)Br AIFCHEM-94608726591 [0,0,0,0,0,1|2,0,1]=4 24 B12R1.49 C#CC(=O)Nc1ccc(cc1)Cl AIFCHEM-94586018469 [0,0,0,0,0,1|2,0,1]=4 25 B12R1.49 C#CC(=O)Nc1ccc(cc1)O AIFCHEM-94525200720 [0,0,0,0,0,1|1,0,1]=3 26 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl AIFCHEM-94526499445 [0,0,0,0,0,1|2,0,0]=3 27 B12R1.49 CCC(=O)Nc1ccc(cn1)Br AIFCHEM-94526499500 [0,0,0,0,0,1|3,0,0]=4 28 B12R1.49 CCC(=O)Nc1ccc(cn1)O AIFCHEM-94526508419 [0,0,0,0,0,1|2,0,0]=3 29 B12R1.49 O=C(CO)Nc1ccc(cc1)I AIFCHEM-94532683447 [0,0,0,0,0,1|3,0,0]=4 30 B12R1.49 O=C(CO)Nc1ccc(cc1)O AIFCHEM-94532676141 [0,0,0,0,0,1|2,0,0]=3 31 B11R1.1 Cc1ccc(cc1)C=CCO AIFCHEM-6341313267 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.1 OCC=Cc1ccc(cc1)F AIFCHEM-6361757288 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.81 CC=Cc1ccc(cc1C)C AIFCHEM-94527147474 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.81 CC=Cc1ccc(cc1F)C AIFCHEM-6296674060 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.81 CC=Cc1ccc(cc1F)O AIFCHEM-6364616607 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.81 CC=Cc1ccc(nc1C)O AIFCHEM-6342978081 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.81 CCNc1ccc(cc1Cl)O AIFCHEM-94537416872 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.81 CCNc1ccc(cc1F)O AIFCHEM-94576179707 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.83 CC=Cc1ccc(cc1)C#N AIFCHEM-6320108023 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.83 CC=Cc1ccc(nc1)CO AIFCHEM-6450613528 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.83 CC=Cc1ccc(nc1)OC AIFCHEM-6304788304 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.83 CCNc1ccc(cc1)OC AIFCHEM-94577704899 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.192 CC=Cc1cc(c(cn1)O)N AIFCHEM-6387440914 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.192 CC=Cc1ccc(c(c1)C)C AIFCHEM-94530432251 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.192 CC=Cc1ccc(c(c1)N)C AIFCHEM-5799362878 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.192 CC=Cc1ccc(c(c1)N)N AIFCHEM-6377944982 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.192 CC=Cc1ccc(c(c1)O)O AIFCHEM-6368218750 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.192 CCNc1ccc(c(c1)I)O AIFCHEM-94537426737 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.192 CCNc1ccc(c(c1)O)O AIFCHEM-94537416152 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.23 C/C=C(\C)/c1cccc(c1)F AIFCHEM-94584209876 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.222 C/C=C(\C)/c1ccccc1O AIFCHEM-94584219423 [1,1,0,0,0,0|2,0,0]=4 52 B13R1.19 CC#CC(=O)Nc1ccc(cc1)C AIFCHEM-94584238232 [0,1,0,0,0,1|2,0,0]=4 53 B13R1.19 CC#CC(=O)Nc1ccc(cc1)Cl AIFCHEM-94586019392 [0,1,0,0,0,1|2,0,0]=4 54 B13R1.19 CC#CC(=O)Nc1ccc(cc1)O AIFCHEM-94596165465 [0,1,0,0,0,1|1,0,0]=3 55 B13R1.19 COCC(=O)Nc1ccc(cc1)C AIFCHEM-94547765747 [0,1,0,0,0,1|1,0,0]=3 56 B13R1.19 COCC(=O)Nc1ccc(cc1)I AIFCHEM-6151507728 [0,1,0,0,0,1|1,0,0]=3 57 B13R1.19 COCC(=O)Nc1ccc(cn1)Br AIFCHEM-5728539894 [0,1,0,0,0,1|2,0,0]=4 58 B13R1.19 CSCC(=O)Nc1ccc(cc1)Br AIFCHEM-94608724827 [0,1,0,0,0,1|1,1,0]=4 59 B13R1.19 O=C(CCO)Nc1ccc(cc1)Cl AIFCHEM-94586018678 [0,1,0,0,0,1|2,0,0]=4 60 B13R1.21 CCC(=O)N(C)c1ccc(cc1)F AIFCHEM-94526507605 [0,1,0,0,0,1|2,0,0]=4 61 B13R1.21 CCC(=O)N(C)c1ccc(cc1)O AIFCHEM-94526507925 [0,1,0,0,0,1|1,0,0]=3 62 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)Br AIFCHEM-94545040982 [0,1,0,0,0,1|2,0,0]=4 63 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)O AIFCHEM-94596166633 [0,1,0,0,0,1|1,0,0]=3 64 B13R1.2679 C#CC(=O)Nc1ccc(cc1Br)O AIFCHEM-94525201691 [0,1,0,0,0,1|1,0,1]=4 65 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)C AIFCHEM-94526508691 [0,1,0,0,0,1|2,0,0]=4 66 B13R1.2679 CCC(=O)Nc1ccc(cc1C)I AIFCHEM-94526501606 [0,1,0,0,0,1|2,0,0]=4 67 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)Br AIFCHEM-94526506963 [0,1,0,0,0,1|2,0,0]=4 68 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)F AIFCHEM-94526504704 [0,1,0,0,0,1|2,0,0]=4 69 B13R1.2679 CCC(=O)Nc1ccc(cc1F)O AIFCHEM-94576189038 [0,1,0,0,0,1|1,0,0]=3 70 B13R1.2679 CCC(=O)Nc1ccc(cc1O)Cl AIFCHEM-94526505891 [0,1,0,0,0,1|2,0,0]=4 71 B13R1.2679 CCC(=O)Nc1ccc(cc1O)F AIFCHEM-94526508230 [0,1,0,0,0,1|2,0,0]=4 72 B13R1.2879 C#CC(=O)Nc1ccc(c(c1)F)O AIFCHEM-94525198641 [0,1,0,0,0,1|1,0,1]=4 73 B13R1.2879 C#CC(=O)Nc1ccc(c(c1)O)O AIFCHEM-94525194530 [0,1,0,0,0,1|1,0,1]=4 74 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)C AIFCHEM-94526510407 [0,1,0,0,0,1|2,0,0]=4 75 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)C AIFCHEM-94526507553 [0,1,0,0,0,1|2,0,0]=4 76 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)O AIFCHEM-94526507088 [0,1,0,0,0,1|1,0,0]=3 77 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)C AIFCHEM-94526506680 [0,1,0,0,0,1|2,0,0]=4 78 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)O AIFCHEM-94526511550 [0,1,0,0,0,1|1,0,0]=3 79 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)C AIFCHEM-94526503888 [0,1,0,0,0,1|2,0,0]=4 80 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)O AIFCHEM-94526502977 [0,1,0,0,0,1|1,0,0]=3 81 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)O AIFCHEM-94532678182 [0,1,0,0,0,1|2,0,0]=4 82 B13R1.95 C/C=C(\C)/c1ccc(cc1F)OC AIFCHEM-94584218757 [0,2,0,0,0,0|2,0,0]=4 83 B13R1.95 C/C=C(\C)/c1ccc(cc1O)OC AIFCHEM-94584218405 [0,2,0,0,0,0|2,0,0]=4 84 B13R1.139 CC=Cc1ccc(cc1)C(=O)NC AIFCHEM-6328508123 [0,2,0,0,0,0|2,0,0]=4 85 B13R1.139 CC=Cc1ccc(nc1)C(=O)OC AIFCHEM-6287741204 [0,2,0,0,0,0|2,0,0]=4 86 B13R1.139 CCNc1ccc(cc1)C(=O)NC AIFCHEM-94537423740 [0,2,0,0,0,0|2,0,0]=4 87 B13R1.3088 C/C=C(\C)/c1ccc(c(c1)N)CO AIFCHEM-94584224111 [0,2,0,0,0,0|2,0,0]=4 88 B13R1.3088 C/C=C(\C)/c1ccc(c(c1)O)CO AIFCHEM-94584214201 [0,2,0,0,0,0|2,0,0]=4 89 B13R1.17 C#CCNC(=O)c1ccc(cc1)I AIFCHEM-94588320211 [0,2,0,0,0,0|2,0,0]=4 90 B13R1.17 C#CCNC(=O)c1ccc(cc1)O AIFCHEM-6195946417 [0,2,0,0,0,0|1,0,0]=3 91 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl AIFCHEM-94519630974 [0,2,0,0,0,0|2,0,0]=4 92 B13R1.17 CCCNC(=O)c1ccc(cc1)O AIFCHEM-94521381894 [0,2,0,0,0,0|1,0,0]=3 93 B13R1.17 O=C(NCCF)c1ccc(cn1)O AIFCHEM-94538169817 [0,2,0,0,0,0|2,0,0]=4 94 B13R1.132 CC(C)NC(=O)c1ccc(cc1)I AIFCHEM-94520550233 [0,2,0,0,0,0|2,0,0]=4 95 B13R1.132 CC(C)NC(=O)c1ccc(cn1)O AIFCHEM-94538165114 [0,2,0,0,0,0|2,0,0]=4 96 B13R1.49 C/C=C(\C)/c1ccc(c(c1)CN)O AIFCHEM-94584214566 [0,2,0,0,0,0|2,0,0]=4 97 B13R1.49 C/C=C(\C)/c1ccc(c(c1)OC)O AIFCHEM-94584221496 [0,2,0,0,0,0|2,0,0]=4 98 B13R1.2678 C/C=C(\C)/c1cc(c(c(c1)F)O)F AIFCHEM-94584224171 [0,2,0,0,0,0|2,0,0]=4 99 B13R1.2678 C/C=C(\C)/c1cc(c(c(c1)F)O)O AIFCHEM-94584222812 [0,2,0,0,0,0|2,0,0]=4 100 B13R1.2678 C/C=C(\C)/c1cc(c(c(c1)O)O)O AIFCHEM-94584214002 [0,2,0,0,0,0|2,0,0]=4 101 B13R1.2065 C/C=C(\C)/c1ccc(cc1CO)O AIFCHEM-94584216721 [0,2,0,0,0,0|2,0,0]=4 102 B13R2.12 Fc1ccc(cc1)C2=CCOC2 AIFCHEM-6376108657 [0,1,0,1,0,0|2,0,0]=4 103 B13R2.12 Oc1ccc(cc1)C2=CCNC2 AIFCHEM-94562882885 [0,1,0,1,0,0|2,0,0]=4 104 B13R2.12 Oc1ccc(cc1)c2cnco2 AIFCHEM-6325440999 [0,1,0,1,0,0|1,0,1]=4 105 B11R1.40 CCC(=O)Nc1ccccn1 AIFCHEM-94526506315 [1,0,0,0,0,1|2,0,0]=4 106 B13R1.14 CCC(=O)NCc1ccc(cc1)Br AIFCHEM-94526505617 [0,0,0,0,0,2|2,0,0]=4