0 B11R1.23 C/C=C(\C)/c1cc(ccn1)C AIFCHEM-94584218926 [0,1,0,0,0,0|2,0,0]=3 1 B11R1.23 C/C=C(\C)/c1cccc(c1)F AIFCHEM-94584209876 [0,1,0,0,0,0|2,0,0]=3 2 B11R1.23 C/C=C(\C)/c1cccc(n1)C AIFCHEM-94584219398 [0,1,0,0,0,0|2,0,0]=3 3 B11R1.23 C/C=C(\C)/c1cccc(n1)N AIFCHEM-94584215194 [0,1,0,0,0,0|3,0,0]=4 4 B11R1.23 C/C=C(\C)/c1cccc(n1)O AIFCHEM-94584216776 [0,1,0,0,0,0|3,0,0]=4 5 B11R1.23 C/C=C(\C)/c1ccnc(c1)C AIFCHEM-94584215958 [0,1,0,0,0,0|2,0,0]=3 6 B11R1.23 C/C=C(\C)/c1ccnc(n1)C AIFCHEM-94584209844 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.23 C/C=C(\C)/c1cncc(n1)C AIFCHEM-94584223656 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.23 C/C=C(\C)/c1nccc(n1)C AIFCHEM-94584212043 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.23 CCN(C)c1cccc(c1)Br AIFCHEM-94537415946 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.23 CCN(C)c1cncc(c1)C AIFCHEM-94537416284 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.157 CC(=Cc1cc(ccn1)N)C AIFCHEM-6427750967 [0,0,0,0,0,1|3,0,0]=4 12 B11R1.157 CC(=Cc1ccnc(n1)C)C AIFCHEM-6385464867 [0,0,0,0,0,1|3,0,0]=4 13 B11R1.157 CC(=Cc1cncc(c1)O)C AIFCHEM-6405765996 [0,0,0,0,0,1|3,0,0]=4 14 B11R1.157 CC(=O)Nc1cc(ccn1)O AIFCHEM-94605352203 [0,0,0,0,0,1|2,0,0]=3 15 B11R1.157 CC(=O)Nc1cccc(c1)C AIFCHEM-94605355038 [0,0,0,0,0,1|0,0,0]=1 16 B11R1.157 CC(=O)Nc1cccc(c1)F AIFCHEM-94579356885 [0,0,0,0,0,1|1,0,0]=2 17 B11R1.157 CC(=O)Nc1cccc(c1)I AIFCHEM-94605354864 [0,0,0,0,0,1|1,0,0]=2 18 B11R1.157 CC(=O)Nc1cncc(c1)C AIFCHEM-94524195082 [0,0,0,0,0,1|1,0,0]=2 19 B11R1.157 CC(=O)Nc1cncc(c1)F AIFCHEM-5999042768 [0,0,0,0,0,1|2,0,0]=3 20 B11R1.157 CC(=O)Nc1cncc(n1)C AIFCHEM-5599952056 [0,0,0,0,0,1|2,0,0]=3 21 B10R1.10 CC=Cc1cc(ccn1)C AIFCHEM-6229029433 [1,1,0,0,0,0|1,0,0]=3 22 B10R1.10 CC=Cc1cc(ccn1)F AIFCHEM-6308154391 [1,1,0,0,0,0|2,0,0]=4 23 B10R1.10 CCNc1cncc(c1)C AIFCHEM-94524188643 [1,1,0,0,0,0|1,0,1]=4 24 B10R1.15 C/C=C(\C)/c1ccccn1 AIFCHEM-94584209692 [1,1,0,0,0,0|2,0,0]=4 25 B12R1.19 CC(=Cc1c[nH]c(=O)c(c1)C)C AIFCHEM-6391881726 [0,1,0,0,0,1|2,0,0]=4 26 B12R1.19 CC(=Cc1cc(c(cn1)C)C)C AIFCHEM-6429314046 [0,1,0,0,0,1|2,0,0]=4 27 B12R1.19 CC(=Cc1ccc(c(c1)N)N)C AIFCHEM-6298159563 [0,1,0,0,0,1|2,0,0]=4 28 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C AIFCHEM-6398326996 [0,1,0,0,0,1|2,0,0]=4 29 B12R1.19 CC(=O)Nc1cc(c(cn1)Br)Br AIFCHEM-94605356739 [0,1,0,0,0,1|2,0,0]=4 30 B12R1.19 CC(=O)Nc1cc(c(cn1)Br)Cl AIFCHEM-94535601192 [0,1,0,0,0,1|2,0,0]=4 31 B12R1.19 CC(=O)Nc1cc(c(cn1)F)F AIFCHEM-94605341730 [0,1,0,0,0,1|2,0,0]=4 32 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br AIFCHEM-5608066263 [0,1,0,0,0,1|0,0,0]=2 33 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O AIFCHEM-94527206242 [0,1,0,0,0,1|0,0,0]=2 34 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br AIFCHEM-6168829856 [0,1,0,0,0,1|1,0,0]=3 35 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F AIFCHEM-94535595851 [0,1,0,0,0,1|1,0,0]=3 36 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I AIFCHEM-94605355198 [0,1,0,0,0,1|1,0,0]=3 37 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl AIFCHEM-6020088654 [0,1,0,0,0,1|1,0,0]=3 38 B12R1.19 CC(=O)Nc1ccc(c(c1)I)O AIFCHEM-94605357326 [0,1,0,0,0,1|1,0,0]=3 39 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O AIFCHEM-94535592055 [0,1,0,0,0,1|1,0,0]=3 40 B12R1.19 CC(=O)Nc1ccc(c(n1)C)I AIFCHEM-94605355975 [0,1,0,0,0,1|1,0,0]=3 41 B12R1.19 CC(=O)Nc1ccn(c(=O)c1)C AIFCHEM-94605344697 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.19 CC(=O)Nc1cnc(c(c1)Cl)C AIFCHEM-94535600626 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.19 CC(=O)Nc1cnc(c(n1)C)Br AIFCHEM-94605355905 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.50 C#CC(=O)Nc1cccc(c1)C AIFCHEM-94525191097 [0,1,0,0,0,1|0,0,1]=3 45 B12R1.50 C#CC(=O)Nc1cccc(c1)F AIFCHEM-94579361398 [0,1,0,0,0,1|1,0,1]=4 46 B12R1.50 CCC(=O)Nc1cc(ccn1)I AIFCHEM-94526508375 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.50 CCC(=O)Nc1cccc(c1)C AIFCHEM-94526499544 [0,1,0,0,0,1|0,0,0]=2 48 B12R1.50 CCC(=O)Nc1ccnc(c1)O AIFCHEM-94526506964 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.50 CCC(=O)Nc1cncc(c1)C AIFCHEM-94526506478 [0,1,0,0,0,1|1,0,0]=3 50 B12R1.50 CCC(=O)Nc1cncc(c1)I AIFCHEM-94526505527 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.101 CC(=Cc1cc(cc(c1)F)N)C AIFCHEM-6030816547 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.101 CC(=Cc1cc(cc(c1)O)C)C AIFCHEM-6368712770 [0,1,0,0,0,1|1,0,0]=3 53 B12R1.101 CC(=Cc1cc(cc(n1)N)C)C AIFCHEM-6388702165 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)Cl AIFCHEM-94589175818 [0,1,0,0,0,1|1,0,0]=3 55 B12R1.101 CC(=O)Nc1cc(nc(c1)C)C AIFCHEM-5743277758 [0,1,0,0,0,1|1,0,0]=3 56 B12R1.127 CC(=Cc1cc(ccc1N)F)C AIFCHEM-5595307750 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.127 CC(=Cc1cc(ccc1O)N)C AIFCHEM-6050835391 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.127 CC(=O)Nc1cc(c[nH]c1=O)Br AIFCHEM-94605358198 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.127 CC(=O)Nc1cc(c[nH]c1=O)Cl AIFCHEM-6033893188 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br AIFCHEM-94570348023 [0,1,0,0,0,1|1,0,0]=3 61 B12R1.127 CC(=O)Nc1cc(ccc1Br)I AIFCHEM-5708441140 [0,1,0,0,0,1|1,0,0]=3 62 B12R1.127 CC(=O)Nc1cc(ccc1C)C AIFCHEM-5778903028 [0,1,0,0,0,1|0,0,0]=2 63 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl AIFCHEM-94528739919 [0,1,0,0,0,1|1,0,0]=3 64 B12R1.127 CC(=O)Nc1cc(ccc1F)Br AIFCHEM-94535595050 [0,1,0,0,0,1|1,0,0]=3 65 B12R1.127 CC(=O)Nc1cc(ccc1I)Br AIFCHEM-94535598373 [0,1,0,0,0,1|1,0,0]=3 66 B12R1.127 CC(=O)Nc1cc(ccc1I)F AIFCHEM-94535594622 [0,1,0,0,0,1|1,0,0]=3 67 B12R1.127 CC(=O)Nc1cc(ccc1O)C AIFCHEM-94535601312 [0,1,0,0,0,1|0,0,0]=2 68 B12R1.127 CC(=O)Nc1cc(cnc1C)Cl AIFCHEM-94605357325 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.127 CC(=O)Nc1cc(ncc1C)O AIFCHEM-94605358045 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.127 CC(=O)Nc1nc(ccc1Br)O AIFCHEM-94605353722 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.224 CC(=Cc1cccc(c1F)C)C AIFCHEM-6427994393 [0,1,0,0,0,1|1,0,0]=3 72 B12R1.224 CC(=Cc1cccc(c1F)O)C AIFCHEM-6326140949 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.224 CC(=Cc1cccc(c1N)C)C AIFCHEM-5962175613 [0,1,0,0,0,1|1,0,0]=3 74 B12R1.224 CC(=Cc1cccc(c1N)F)C AIFCHEM-5926630100 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.224 CC(=Cc1cccc(c1O)O)C AIFCHEM-6309171139 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.224 CC(=Cc1nccc(c1C)C)C AIFCHEM-6382630019 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.224 CC(=O)Nc1c[nH]cc(c1=O)Br AIFCHEM-5726864158 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.224 CC(=O)Nc1cccc(c1Br)C AIFCHEM-94605354110 [0,1,0,0,0,1|0,0,0]=2 79 B12R1.224 CC(=O)Nc1cccc(c1C)F AIFCHEM-94585185229 [0,1,0,0,0,1|1,0,0]=3 80 B12R1.224 CC(=O)Nc1cccc(c1C)O AIFCHEM-94535597217 [0,1,0,0,0,1|1,0,0]=3 81 B12R1.224 CC(=O)Nc1cccc(c1Cl)C AIFCHEM-94605351725 [0,1,0,0,0,1|0,0,0]=2 82 B12R1.224 CC(=O)Nc1cccc(c1Cl)F AIFCHEM-94535593864 [0,1,0,0,0,1|1,0,0]=3 83 B12R1.224 CC(=O)Nc1cccc(c1F)Br AIFCHEM-5895640094 [0,1,0,0,0,1|1,0,0]=3 84 B12R1.224 CC(=O)Nc1cccc(c1F)Cl AIFCHEM-94535593783 [0,1,0,0,0,1|1,0,0]=3 85 B12R1.224 CC(=O)Nc1cccc(c1O)F AIFCHEM-94535597309 [0,1,0,0,0,1|1,0,0]=3 86 B12R1.224 CC(=O)Nc1ccnc(c1C)C AIFCHEM-94535589930 [0,1,0,0,0,1|1,0,0]=3 87 B12R1.224 CC(=O)Nc1ccnc(c1Cl)O AIFCHEM-94605354162 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.224 CC(=O)Nc1nccc(c1C)F AIFCHEM-94605342177 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.225 CC(=O)N(C)c1cccc(c1)F AIFCHEM-94535593371 [0,1,0,0,0,1|1,0,0]=3 90 B12R1.225 CC(=O)N(C)c1cncc(c1)Br AIFCHEM-94535600272 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.438 CC(=Cc1cccc(c1)CO)C AIFCHEM-6458433281 [0,1,0,0,0,1|1,0,0]=3 92 B12R1.438 CC(=Cc1ccnc(c1)CO)C AIFCHEM-6419915967 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.438 CCc1ccnc(c1)C=C(C)C AIFCHEM-6395081528 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.438 COc1cc(ccn1)NC(=O)C AIFCHEM-94535593514 [0,1,0,0,0,1|1,0,0]=3 95 B12R1.438 COc1cc(ncn1)NC(=O)C AIFCHEM-6043872137 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.438 CSc1cc(ccn1)NC(=O)C AIFCHEM-94535597846 [0,1,0,0,0,1|1,0,0]=3 97 B12R1.438 CSc1cccc(c1)NC(=O)C AIFCHEM-94535592741 [0,1,0,0,0,1|0,0,0]=2 98 B12R1.367 C/C=C(\C)/c1cc(c(cn1)F)C AIFCHEM-94584223005 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.367 C/C=C(\C)/c1ccc(c(c1)F)F AIFCHEM-94584217608 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.367 C/C=C(\C)/c1ccc(c(c1)N)F AIFCHEM-94584216942 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.367 C/C=C(\C)/c1ccc(c(c1)O)N AIFCHEM-94584218023 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.367 C/C=C(\C)/c1ccc(c(c1)O)O AIFCHEM-94584214301 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.367 C/C=C(\C)/c1ccc(c(n1)C)F AIFCHEM-94584217928 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.367 C/C=C(\C)/c1ccc(c(n1)C)N AIFCHEM-94584211794 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.13 CCN(CC)c1cccc(c1)C AIFCHEM-94537411443 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.24 C/C=C(\C)/c1cccc(c1C)O AIFCHEM-94584221859 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.24 C/C=C(\C)/c1cccc(c1O)O AIFCHEM-94584213102 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.24 C/C=C(\C)/c1ccnc(c1C)C AIFCHEM-94584216527 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.354 C/C=C(\C)/c1cc(ccc1F)C AIFCHEM-94584218727 [0,2,0,0,0,0|1,0,0]=3 110 B12R1.354 C/C=C(\C)/c1cc(ccc1F)F AIFCHEM-94584218232 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.354 C/C=C(\C)/c1cc(ccc1N)O AIFCHEM-94584221559 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.354 C/C=C(\C)/c1cc(ccc1O)C AIFCHEM-94584220859 [0,2,0,0,0,0|1,0,0]=3 113 B12R1.354 C/C=C(\C)/c1cc(ccc1O)O AIFCHEM-94584220013 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.354 C/C=C(\C)/c1cc(cnc1C)C AIFCHEM-94584214227 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.354 C/C=C(\C)/c1cc(cnc1N)C AIFCHEM-94584214274 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.354 C/C=C(\C)/c1cn(ccc1=O)C AIFCHEM-94584222858 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.358 C/C=C(\C)/c1cc(cc(c1)F)C AIFCHEM-94584215320 [0,2,0,0,0,0|1,0,0]=3 118 B12R1.358 C/C=C(\C)/c1cc(cc(n1)N)C AIFCHEM-94584221508 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.358 C/C=C(\C)/c1cc(nc(c1)C)C AIFCHEM-94584219126 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.435 C/C=C(\C)/c1cc(ccn1)CC AIFCHEM-94584219605 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.435 C/C=C(\C)/c1cc(ccn1)NC AIFCHEM-94584222316 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.435 C/C=C(\C)/c1cc(ccn1)OC AIFCHEM-94584223333 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.435 C/C=C(\C)/c1cccc(c1)C#N AIFCHEM-94584221084 [0,2,0,0,0,0|1,0,1]=4 124 B12R1.435 C/C=C(\C)/c1cccc(c1)CO AIFCHEM-94584213716 [0,2,0,0,0,0|1,0,0]=3 125 B12R1.435 C/C=C(\C)/c1cccc(c1)OC AIFCHEM-94584221738 [0,2,0,0,0,0|1,0,0]=3 126 B12R1.435 C/C=C(\C)/c1cccc(n1)CN AIFCHEM-94602223012 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.435 C/C=C(\C)/c1ccnc(c1)CO AIFCHEM-94584212126 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.435 C/C=C(\C)/c1cncc(c1)OC AIFCHEM-94584219095 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.279 CC=Cc1cccc(c1)C(C)O AIFCHEM-6406032175 [0,2,0,0,0,0|0,0,2]=4 130 B12R1.279 CC=Cc1cccc(c1)[C@@H](C)O AIFCHEM-6315978601 [0,2,0,0,0,0|0,0,2]=4 131 B12R1.279 CC=Cc1cccc(c1)[C@H](C)O AIFCHEM-6358323213 [0,2,0,0,0,0|0,0,2]=4 132 B12R1.279 CC=Cc1ccnc(c1)C(=O)N AIFCHEM-6328664960 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.279 CCNc1cccc(c1)C(=O)N AIFCHEM-94537420652 [0,2,0,0,0,0|1,0,0]=3 134 B12R1.279 CCNc1cccc(c1)C(C)O AIFCHEM-94537419093 [0,2,0,0,0,0|0,0,2]=4 135 B12R1.279 CCNc1cccc(n1)C(=O)O AIFCHEM-94537418925 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.279 CCNc1ccnc(c1)C(=O)O AIFCHEM-94530500623 [0,2,0,0,0,0|2,0,0]=4 137 B10R1.4 CC=Cc1ccccc1C AIFCHEM-6371242545 [0,0,1,1,0,0|1,0,0]=3 138 B10R1.4 CC=Cc1ncc[nH]c1=O AIFCHEM-6293879101 [0,0,1,1,0,0|2,0,0]=4 139 B10R1.64 CC(=Cc1ccsc1C)C AIFCHEM-6298577487 [0,0,1,1,0,0|0,1,1]=4 140 B10R1.131 CC=Cc1cc(c(s1)C)C AIFCHEM-6297614776 [0,0,1,1,0,0|0,1,1]=4 141 B10R1.54 CC(=O)Nc1ccc(s1)C AIFCHEM-94535596396 [0,0,1,1,0,0|2,0,0]=4 142 B10R1.18 CC(=Cc1ccccc1)C AIFCHEM-6323250098 [1,0,0,0,0,1|1,0,0]=3 143 B10R1.18 CC(=Cc1ccncc1)C AIFCHEM-6347813633 [1,0,0,0,0,1|2,0,0]=4 144 B10R1.18 CC(=O)Nc1cccnn1 AIFCHEM-5873465756 [1,0,0,0,0,1|2,0,0]=4 145 B10R1.18 CC(=O)Nc1ccncc1 AIFCHEM-94535587956 [1,0,0,0,0,1|1,0,0]=3 146 B10R1.18 CC(=O)Nc1ccnnc1 AIFCHEM-5598224670 [1,0,0,0,0,1|2,0,0]=4 147 B10R1.18 CC(=O)Nc1cncnc1 AIFCHEM-94605354528 [1,0,0,0,0,1|2,0,0]=4 148 B12R1.226 CC(=O)NCc1cccc(n1)C AIFCHEM-5718068665 [0,0,0,0,0,2|1,0,0]=3 149 B12R1.226 CC(=O)NCc1cncc(c1)C AIFCHEM-94535591610 [0,0,0,0,0,2|1,0,0]=3