0 B12R1.77 C/C=C(\C)/c1ccccc1OC AIFCHEM-94584219949 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.77 C/C=C(\C)/c1cnccc1OC AIFCHEM-94584222132 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.77 C/C=C(\C)/c1ncccc1OC AIFCHEM-94584216276 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.41 CC=Cc1cccnc1NC AIFCHEM-5624892479 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.41 CC=Cc1cnccc1OC AIFCHEM-6384380509 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.41 CCNc1ccncc1OC AIFCHEM-94537422401 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.222 C/C=C(\C)/c1ccccc1O AIFCHEM-94584219423 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.222 C/C=C(\C)/c1ncccc1O AIFCHEM-94584218309 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.382 C/C=C(\C)/c1ccccc1OCC AIFCHEM-94584220011 [0,1,0,0,0,0|2,0,0]=3 9 B13R1.382 CC=Cc1ncccc1C(=O)OC AIFCHEM-94589200249 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.382 CCNc1ccncc1C(=O)OC AIFCHEM-94537416296 [0,1,0,0,0,0|2,0,0]=3 11 B13R1.2065 C/C=C(\C)/c1ccc(nc1OC)N AIFCHEM-94584210887 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.2065 C/C=C(\C)/c1cnc(cc1OC)N AIFCHEM-94584211135 [0,1,0,0,0,0|3,0,0]=4 13 B13R1.2065 CCN(C)c1ccc(cc1OC)F AIFCHEM-94537413411 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.2209 C/C=C(\C)/c1cc(cnc1OC)C AIFCHEM-94584221351 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.2209 C/C=C(\C)/c1cc(cnc1OC)N AIFCHEM-94584219405 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.2209 C/C=C(\C)/c1nc(ccc1OC)C AIFCHEM-94584216300 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.2209 C/C=C(\C)/c1nc(ccc1OC)N AIFCHEM-94584221962 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.2357 C/C=C(\C)/c1c(cccc1OC)C AIFCHEM-94584218024 [0,1,0,0,0,0|2,0,0]=3 19 B13R1.2357 C/C=C(\C)/c1c(cccc1OC)F AIFCHEM-94584221270 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.2357 C/C=C(\C)/c1c(cccc1OC)N AIFCHEM-94584209955 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.91 C#CC(=O)Nc1ccccc1CC AIFCHEM-94525200180 [0,0,0,0,0,1|2,0,1]=4 22 B13R1.91 CCC(=O)Nc1cncnc1OC AIFCHEM-94526502910 [0,0,0,0,0,1|3,0,0]=4 23 B13R1.91 CCC(=O)Nc1ncccc1SC AIFCHEM-94526503907 [0,0,0,0,0,1|2,1,0]=4 24 B13R1.91 CCc1ccccc1NC(=O)CO AIFCHEM-94532683832 [0,0,0,0,0,1|3,0,0]=4 25 B13R1.91 COc1ccncc1NC(=O)CO AIFCHEM-94532681633 [0,0,0,0,0,1|3,0,0]=4 26 B10R1.4 CC=Cc1ccccc1C AIFCHEM-6371242545 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.4 CCNc1ccccc1O AIFCHEM-94537427514 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.75 COc1ccccc1NC(=O)C AIFCHEM-94535590793 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.112 CC=Cc1ccc(cc1SC)C AIFCHEM-6304068829 [1,1,0,0,0,0|1,1,0]=4 30 B12R1.112 CC=Cc1ccc(cc1SC)F AIFCHEM-6345634634 [1,1,0,0,0,0|1,1,0]=4 31 B12R1.112 CC=Cc1ccc(nc1OC)C AIFCHEM-6348293707 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.112 CC=Cc1ncc(cc1OC)N AIFCHEM-6476781125 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.112 CCNc1ccc(cc1OC)C AIFCHEM-94537421134 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.112 CCNc1ccc(cc1OC)Cl AIFCHEM-94537427225 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.112 CCNc1ccc(cc1OC)O AIFCHEM-94537423576 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.121 CCc1ccccc1C=CCO AIFCHEM-6403285681 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.121 COc1cnccc1C=CCO AIFCHEM-6366453398 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.121 COc1ncccc1C=CCO AIFCHEM-6291962493 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.169 CC=Cc1cccnc1OCC AIFCHEM-6428933707 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.268 CC=Cc1cc(ccc1OC)C AIFCHEM-94571714396 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.268 CC=Cc1nc(ccc1OC)N AIFCHEM-6329998382 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.268 CCNc1cc(ccc1OC)F AIFCHEM-94537417734 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.283 CC=Cc1ccccc1C(C)O AIFCHEM-6288711231 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.283 CC=Cc1ccccc1[C@@H](C)O AIFCHEM-6346903517 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.283 CC=Cc1ccccc1[C@H](C)O AIFCHEM-6312488097 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.542 CC=Cc1cccc(c1OC)F AIFCHEM-6321973158 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.542 CC=Cc1cccc(c1OC)N AIFCHEM-6121768566 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.542 CCNc1cccc(c1OC)C AIFCHEM-94537417145 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.1112 CC=Cc1c(cccc1CC)C AIFCHEM-6442323218 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.1112 CC=Cc1c(cccc1OC)F AIFCHEM-6297477082 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.1112 CC=Cc1c(cccc1OC)N AIFCHEM-5602365071 [1,1,0,0,0,0|1,0,0]=3 52 B12R1.24 C/C=C(\C)/c1cccc(c1C)O AIFCHEM-94584221859 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.24 C/C=C(\C)/c1cccc(c1O)O AIFCHEM-94584213102 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.354 C/C=C(\C)/c1cc(ccc1O)C AIFCHEM-94584220859 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.354 C/C=C(\C)/c1cc(ccc1O)O AIFCHEM-94584220013 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.3441 C/C=C(\C)/c1c(cccc1O)C AIFCHEM-94584215878 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.291 CC=Cc1ccoc1C(=O)OC AIFCHEM-6228628907 [0,1,0,0,1,0|2,0,0]=4 58 B12R1.291 CC=Cc1ccsc1C(=O)OC AIFCHEM-6296967894 [0,1,0,0,1,0|2,0,0]=4 59 B12R1.291 CC=Cc1cscc1C(=O)OC AIFCHEM-6326701266 [0,1,0,0,1,0|2,0,0]=4 60 B12R1.291 CC=Cc1sccc1C(=O)OC AIFCHEM-6404630446 [0,1,0,0,1,0|2,0,0]=4 61 B12R1.291 CCNc1sccc1C(=O)OC AIFCHEM-94537421880 [0,1,0,0,1,0|2,0,0]=4 62 B14R1.95 C#CC(=O)N(C)c1ccccc1OC AIFCHEM-94525190962 [0,1,0,0,0,1|1,0,1]=4 63 B14R1.483 CCOc1cnccc1NC(=O)CC AIFCHEM-94526511584 [0,1,0,0,0,1|2,0,0]=4 64 B14R1.483 CCSc1ccccc1NC(=O)CC AIFCHEM-94526502112 [0,1,0,0,0,1|1,1,0]=4 65 B14R1.965 C#CCC(=O)Nc1ccccc1OC AIFCHEM-5654106218 [0,1,0,0,0,1|1,0,1]=4 66 B14R1.965 C#Cc1ccccc1NC(=O)COC AIFCHEM-5853772898 [0,1,0,0,0,1|1,0,1]=4 67 B14R1.965 CC#CC(=O)Nc1ccccc1OC AIFCHEM-5662122822 [0,1,0,0,0,1|1,0,0]=3 68 B14R1.965 CC#CC(=O)Nc1ccccc1SC AIFCHEM-5814537464 [0,1,0,0,0,1|1,1,0]=4 69 B14R1.965 CC#CC(=O)Nc1cccnc1OC AIFCHEM-5880851268 [0,1,0,0,0,1|2,0,0]=4 70 B14R1.965 COCC(=O)Nc1cncnc1OC AIFCHEM-94564445792 [0,1,0,0,0,1|2,0,0]=4 71 B14R1.965 COCC(=O)Nc1ncccc1OC AIFCHEM-5722906071 [0,1,0,0,0,1|1,0,0]=3 72 B14R1.965 COc1ccncc1NC(=O)CSC AIFCHEM-6016451897 [0,1,0,0,0,1|1,1,0]=4 73 B14R1.965 CSCC(=O)Nc1ccccc1SC AIFCHEM-5787240395 [0,1,0,0,0,1|0,2,0]=4 74 B14R1.2178 CCC(=O)Nc1c(cccc1OC)Br AIFCHEM-94526508323 [0,1,0,0,0,1|1,0,0]=3 75 B14R1.2178 CCC(=O)Nc1c(cccc1OC)F AIFCHEM-94526507518 [0,1,0,0,0,1|1,0,0]=3 76 B14R1.2178 COc1cccc(c1NC(=O)CO)C AIFCHEM-94532683115 [0,1,0,0,0,1|2,0,0]=4 77 B14R1.3135 COc1ccccc1NC(=O)C(C)O AIFCHEM-94546777123 [0,1,0,0,0,1|1,0,0]=3 78 B14R1.3135 COc1ccccc1NC(=O)[C@@H](C)O AIFCHEM-94546770096 [0,1,0,0,0,1|1,0,0]=3 79 B14R1.3135 COc1ccccc1NC(=O)[C@H](C)O AIFCHEM-94546778120 [0,1,0,0,0,1|1,0,0]=3 80 B14R1.3135 COc1ccncc1NC(=O)C(C)O AIFCHEM-94540231063 [0,1,0,0,0,1|2,0,0]=4 81 B14R1.3135 COc1cnccc1NC(=O)C(C)C AIFCHEM-94545049598 [0,1,0,0,0,1|2,0,0]=4 82 B14R1.3135 COc1cnccc1NC(=O)C(C)O AIFCHEM-94540232695 [0,1,0,0,0,1|2,0,0]=4 83 B14R1.3135 COc1ncccc1NC(=O)C(C)C AIFCHEM-94545045973 [0,1,0,0,0,1|2,0,0]=4 84 B14R1.3135 CSc1ccccc1NC(=O)C(C)C AIFCHEM-94545047583 [0,1,0,0,0,1|1,1,0]=4 85 B14R1.3279 CCC(=O)Nc1cc(ccc1OC)F AIFCHEM-94526504295 [0,1,0,0,0,1|1,0,0]=3 86 B14R1.3279 COc1ccc(cc1NC(=O)CO)I AIFCHEM-94532685634 [0,1,0,0,0,1|2,0,0]=4 87 B14R1.3417 C#CC(=O)Nc1ccc(cc1OC)I AIFCHEM-94525197994 [0,1,0,0,0,1|1,0,1]=4 88 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)Br AIFCHEM-94526508794 [0,1,0,0,0,1|1,0,0]=3 89 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)Cl AIFCHEM-94605174037 [0,1,0,0,0,1|1,0,0]=3 90 B14R1.3995 C#CC(=O)Nc1cccc(c1OC)F AIFCHEM-94525199006 [0,1,0,0,0,1|1,0,1]=4 91 B14R1.3995 CCC(=O)Nc1cccc(c1OC)Cl AIFCHEM-94526507939 [0,1,0,0,0,1|1,0,0]=3 92 B14R1.3995 CCC(=O)Nc1cncc(c1OC)Br AIFCHEM-94526506238 [0,1,0,0,0,1|2,0,0]=4 93 B14R1.481 CC=Cc1ccccc1C(=O)N(C)C AIFCHEM-6454348111 [0,2,0,0,0,0|2,0,0]=4 94 B14R1.3101 CC=Cc1c(cccc1C(=O)OC)N AIFCHEM-6214799074 [0,2,0,0,0,0|1,0,0]=3 95 B14R1.12435 C/C=C(\C)/c1ccc(c(c1OC)F)F AIFCHEM-94584223231 [0,2,0,0,0,0|2,0,0]=4 96 B14R1.12530 C/C=C(\C)/c1cc(cc(c1OC)F)N AIFCHEM-94584222791 [0,2,0,0,0,0|2,0,0]=4 97 B14R1.744 CNC(=O)c1ccccc1NC(=O)C AIFCHEM-5612530178 [0,2,0,0,0,0|2,0,0]=4 98 B14R1.744 COC(=O)c1ccccc1C=C(C)C AIFCHEM-94545894680 [0,2,0,0,0,0|1,0,0]=3 99 B14R1.789 C/C=C(\C)/c1ccccc1COCC AIFCHEM-94563738590 [0,2,0,0,0,0|2,0,0]=4 100 B14R1.789 C/C=C(\C)/c1ccccc1OCC#N AIFCHEM-94584223434 [0,2,0,0,0,0|2,0,0]=4 101 B14R1.789 C/C=C(\C)/c1ccccc1OCCC AIFCHEM-94584219614 [0,2,0,0,0,0|2,0,0]=4 102 B14R1.789 C/C=C(\C)/c1ccccc1OCCN AIFCHEM-94584216653 [0,2,0,0,0,0|2,0,0]=4 103 B14R1.5122 CC=Cc1cc(ccc1C(=O)NC)F AIFCHEM-6342102757 [0,2,0,0,0,0|2,0,0]=4 104 B14R1.5122 CCNc1cc(ccc1C(=O)OC)F AIFCHEM-94537419139 [0,2,0,0,0,0|1,0,0]=3 105 B14R1.5122 CCNc1cc(cnc1C(=O)OC)Br AIFCHEM-94537411963 [0,2,0,0,0,0|2,0,0]=4 106 B14R1.5238 CC=Cc1ccc(=O)[nH]c1C(=O)OC AIFCHEM-6484222877 [0,2,0,0,0,0|2,0,0]=4 107 B14R1.5238 CC=Cc1ccc(cc1C(=O)OC)C AIFCHEM-6348073828 [0,2,0,0,0,0|1,0,0]=3 108 B14R1.5238 CC=Cc1ncc(cc1C(=O)OC)C AIFCHEM-6346059979 [0,2,0,0,0,0|2,0,0]=4 109 B14R1.5238 CCNc1ccc(cc1C(=O)OC)F AIFCHEM-94537420146 [0,2,0,0,0,0|1,0,0]=3 110 B14R1.5238 CCNc1ccc(cc1C(=O)OC)O AIFCHEM-94537417403 [0,2,0,0,0,0|1,0,0]=3 111 B14R1.5238 CCNc1ccc(nc1C(=O)OC)Cl AIFCHEM-94537426186 [0,2,0,0,0,0|2,0,0]=4 112 B14R1.5566 C/C=C(\C)/c1c(cccc1OCC)F AIFCHEM-94584212613 [0,2,0,0,0,0|2,0,0]=4 113 B14R1.5566 CC=Cc1cccc(c1C(=O)OC)N AIFCHEM-5723627185 [0,2,0,0,0,0|1,0,0]=3 114 B14R1.5566 CC=Cc1cncc(c1C(=O)OC)F AIFCHEM-6291008143 [0,2,0,0,0,0|2,0,0]=4 115 B14R1.5566 CCNc1cccc(c1C(=O)OC)O AIFCHEM-94537423975 [0,2,0,0,0,0|1,0,0]=3 116 B14R1.840 CSc1ccccc1C(=O)NC(C)C AIFCHEM-94520548508 [0,2,0,0,0,0|1,1,0]=4 117 B14R1.939 C#CCNC(=O)c1ccccc1SC AIFCHEM-94588318486 [0,2,0,0,0,0|1,1,0]=4 118 B14R1.939 C#CCNC(=O)c1cccnc1OC AIFCHEM-94588315656 [0,2,0,0,0,0|2,0,0]=4 119 B14R1.939 C#CCNC(=O)c1ncccc1OC AIFCHEM-94588315654 [0,2,0,0,0,0|2,0,0]=4 120 B14R1.939 CCCNC(=O)c1ccccc1CC AIFCHEM-94521379560 [0,2,0,0,0,0|2,0,0]=4 121 B14R1.939 CCCNC(=O)c1ccccc1OC AIFCHEM-94521379330 [0,2,0,0,0,0|1,0,0]=3 122 B14R1.939 CCCNC(=O)c1cccnc1OC AIFCHEM-94521375063 [0,2,0,0,0,0|2,0,0]=4 123 B14R1.939 CCCNC(=O)c1cnccc1OC AIFCHEM-5791290557 [0,2,0,0,0,0|2,0,0]=4 124 B14R1.939 CCCNC(=O)c1ncccc1OC AIFCHEM-94521375061 [0,2,0,0,0,0|2,0,0]=4 125 B14R1.346 C/C=C(\C)/c1c(cc(cc1OC)F)F AIFCHEM-94584218915 [0,2,0,0,0,0|2,0,0]=4 126 B14R1.2315 C/C=C(\C)/c1cc(ccc1OC)CO AIFCHEM-94584219416 [0,2,0,0,0,0|2,0,0]=4 127 B14R1.2167 C/C=C(\C)/c1c(cccc1OC)C#N AIFCHEM-94584211767 [0,2,0,0,0,0|2,0,0]=4 128 B14R2.98 CCc1ccccc1C2=CCOC2 AIFCHEM-6324105779 [0,1,0,1,0,0|2,0,0]=4 129 B14R2.98 CCc1ccccc1C2=COCC2 AIFCHEM-6403249107 [0,1,0,1,0,0|2,0,0]=4 130 B14R2.98 COc1ccccc1C2=CCNC2 AIFCHEM-6315624706 [0,1,0,1,0,0|2,0,0]=4 131 B14R2.98 COc1ccccc1c2ccoc2 AIFCHEM-6291874026 [0,1,0,1,0,0|1,0,1]=4 132 B14R2.98 COc1ccccc1c2cnoc2 AIFCHEM-6381257139 [0,1,0,1,0,0|2,0,0]=4 133 B14R2.10782 C/C=C(\C)/c1cccc2c1COC2 AIFCHEM-94584212838 [0,1,0,1,0,0|2,0,0]=4 134 B14R2.10782 C/C=C(\C)/c1cccc2c1OCC2 AIFCHEM-94584215426 [0,1,0,1,0,0|2,0,0]=4 135 B14R1.863 COc1ccccc1CNC(=O)CO AIFCHEM-5640000018 [0,0,0,0,0,2|2,0,0]=4