0 B10R1.17 CCCNc1ccccc1 AIFCHEM-94552032560 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.17 CCCNc1ncccn1 AIFCHEM-94569009150 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.17 CCNCc1ccccn1 AIFCHEM-94537420895 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.17 CCNCc1cnccn1 AIFCHEM-94537417821 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.8 CCNc1ccccn1 AIFCHEM-94537422158 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.8 CCNc1ccnnc1 AIFCHEM-94537418084 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.8 CCNc1cnccn1 AIFCHEM-94537422176 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.1 CCCNc1ccc(cc1)F AIFCHEM-94569015457 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.1 CCCNc1ccc(cn1)I AIFCHEM-94569015081 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.1 CCCNc1ccc(nc1)C AIFCHEM-94569017543 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.1 CCCNc1ccc(nc1)F AIFCHEM-94569014315 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.1 CCNCc1ccc(cc1)Cl AIFCHEM-94537411696 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.1 CCNCc1ccc(cc1)F AIFCHEM-94530368408 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.1 CCNCc1ccc(cn1)F AIFCHEM-94537422895 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.1 CCNCc1ccc(nc1)Br AIFCHEM-94537413218 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.1 CCNCc1ccc(nc1)C AIFCHEM-94537422957 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.1 CCNCc1cnc(cn1)C AIFCHEM-94537414501 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.1 CCNCc1ncc(cn1)Cl AIFCHEM-94537416276 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.1 Cc1ccc(cc1)C=CCO AIFCHEM-6341313267 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.1 OCC=Cc1ccc(cc1)F AIFCHEM-6361757288 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.16 CCNC(C)c1cccnc1 AIFCHEM-94537412581 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.16 CCN[C@@H](C)c1cccnc1 AIFCHEM-94593286246 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.16 CCN[C@H](C)c1cccnc1 AIFCHEM-94529449831 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.17 CCCNc1ccccc1F AIFCHEM-94569019341 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.17 CCCNc1cccnc1C AIFCHEM-94569017542 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.17 CCCNc1cccnc1O AIFCHEM-94569017482 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.17 CCCNc1cnccc1C AIFCHEM-94569017546 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.17 CCCNc1ncccc1C AIFCHEM-94569013329 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.17 CCCNc1ncccc1O AIFCHEM-94569013697 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.17 CCNCc1ccccc1F AIFCHEM-94520796946 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.17 CCNCc1ccccc1O AIFCHEM-94537427248 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.17 CCNCc1cccnc1Br AIFCHEM-94537418026 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.17 CCNCc1ncccc1F AIFCHEM-94537420062 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.17 OCC=Cc1ccccc1O AIFCHEM-6364368587 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.24 CCCNc1cc(ccn1)C AIFCHEM-94569021601 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.24 CCCNc1cc(ccn1)Cl AIFCHEM-94569014823 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.24 CCCNc1cccc(c1)Br AIFCHEM-94552679825 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.24 CCCNc1cccc(c1)F AIFCHEM-94579349397 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.24 CCNCc1cccc(c1)C AIFCHEM-94537252418 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.24 CCNCc1cccc(n1)C AIFCHEM-94537414853 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.24 CCNCc1ccnc(c1)Br AIFCHEM-94537426068 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.24 CCNCc1cncc(c1)Br AIFCHEM-94537411205 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.24 CCNCc1cncc(c1)C AIFCHEM-94537415593 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.24 Cc1cccc(c1)C=CCO AIFCHEM-6381275994 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.24 OCC=Cc1cccc(c1)O AIFCHEM-6420389960 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.28 CCCNCc1ccncc1 AIFCHEM-5790435281 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.28 CCOC=Cc1ccncc1 AIFCHEM-6380433924 [0,1,0,0,0,0|1,0,1]=3 47 B11R1.28 FCCNCc1ccccn1 AIFCHEM-5801248605 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.28 FCCNCc1cccnn1 AIFCHEM-5801265591 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.28 N#CCNCc1ccccn1 AIFCHEM-94558702348 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.28 OCCNCc1ccncn1 AIFCHEM-6389148719 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.28 OCCNCc1ncccn1 AIFCHEM-6481313728 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.40 CCC(=O)Nc1ccccn1 AIFCHEM-94526506315 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.40 CCN(C)Cc1ccccc1 AIFCHEM-94537411577 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.40 CCN(C)Cc1cccnc1 AIFCHEM-94537417880 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.91 CC(=O)NCc1ccccn1 AIFCHEM-5686879180 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.91 CC(C)CNc1ccccn1 AIFCHEM-94572981495 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.91 CC(C)CNc1cccnc1 AIFCHEM-94572981207 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.91 CC(C)NCc1cccnc1 AIFCHEM-94520540451 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.91 CC(C)NCc1cncnc1 AIFCHEM-94520536301 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.12 CCNCc1ccco1 AIFCHEM-94594829503 [0,0,0,0,1,0|2,0,0]=3 61 B9R1.12 CCNCc1cocn1 AIFCHEM-94553456429 [0,0,0,0,1,0|3,0,0]=4 62 B10R1.1 CC=Cc1ccc(cc1)N AIFCHEM-94608719473 [1,1,0,0,0,0|0,0,2]=4 63 B10R1.1 CCNc1ccc(cc1)C AIFCHEM-94537411875 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.1 CCNc1ccc(nc1)Br AIFCHEM-94537414731 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.1 CCNc1ccc(nc1)F AIFCHEM-94537417232 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.1 CCNc1ccc(nc1)O AIFCHEM-94537412774 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.4 CC=Cc1ccccc1C AIFCHEM-6371242545 [1,1,0,0,0,0|0,0,2]=4 68 B10R1.4 CCNc1ccccc1Br AIFCHEM-94537427481 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.4 CCNc1ccccc1O AIFCHEM-94537427514 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.4 CCNc1cccnc1Br AIFCHEM-94537421189 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.4 CCNc1cccnc1I AIFCHEM-94537418171 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.4 CCNc1ccncc1Br AIFCHEM-94537414732 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.4 CCNc1ccncc1C AIFCHEM-94537417774 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.4 CCNc1ccncc1Cl AIFCHEM-94537417739 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.4 CCNc1ccncc1F AIFCHEM-94537418714 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.4 CCNc1ccncc1I AIFCHEM-94537426496 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.4 CCNc1ncccc1Br AIFCHEM-94537414733 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.4 CCNc1ncccc1C AIFCHEM-94537416246 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.4 CCNc1ncccc1Cl AIFCHEM-94537421147 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.10 CCNc1cccc(n1)Br AIFCHEM-94537417741 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.10 CCNc1cccc(n1)Cl AIFCHEM-94537421828 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.10 CCNc1cncc(c1)Br AIFCHEM-94537414734 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.10 CCNc1cncc(c1)C AIFCHEM-94524188643 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.10 CCNc1cncc(c1)Cl AIFCHEM-94537418676 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.10 CCNc1cncc(c1)O AIFCHEM-94532888502 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.15 CCN(C)c1cccnc1 AIFCHEM-94537417258 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.18 CC(=Cc1ccccc1)C AIFCHEM-6323250098 [1,1,0,0,0,0|0,0,2]=4 88 B10R1.11 CCN[C@H](C)c1ccco1 AIFCHEM-94537422471 [0,1,0,0,1,0|2,0,0]=4 89 B10R1.21 CCCCNc1ccsc1 AIFCHEM-94523038276 [0,1,0,0,1,0|2,0,0]=4 90 B10R1.21 CCNCCn1cccc1 AIFCHEM-94537419871 [0,1,0,0,1,0|2,0,0]=4 91 B10R1.21 CCOC=Cc1cccs1 AIFCHEM-6452818854 [0,1,0,0,1,0|1,0,1]=4 92 B10R1.21 CCOC=Cc1ccoc1 AIFCHEM-6193370521 [0,1,0,0,1,0|1,0,1]=4 93 B10R1.21 FCCNCc1cccs1 AIFCHEM-5853698665 [0,1,0,0,1,0|2,0,0]=4 94 B10R1.27 CCN(C)Cc1ccco1 AIFCHEM-94537421946 [0,1,0,0,1,0|2,0,0]=4 95 B10R1.66 CC(C)NCc1ccoc1 AIFCHEM-94520540440 [0,1,0,0,1,0|2,0,0]=4 96 B10R1.66 CC(C)NCc1ccsc1 AIFCHEM-94520540441 [0,1,0,0,1,0|2,0,0]=4 97 B12R1.1 CCCCNc1ccc(cc1)C AIFCHEM-94523028188 [0,2,0,0,0,0|1,0,0]=3 98 B12R1.1 CCCCNc1ccc(cc1)F AIFCHEM-94523042368 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.1 CCCCNc1ccc(cn1)C AIFCHEM-94523032560 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.1 CCCCNc1ccc(cn1)O AIFCHEM-94523039171 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.1 CCCCNc1ccc(nc1)Br AIFCHEM-94523031044 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.1 CCCCNc1ccc(nc1)Cl AIFCHEM-94523038884 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.1 CCCCNc1ccc(nc1)F AIFCHEM-94523033545 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.1 CCCCNc1ccc(nc1)O AIFCHEM-94523029087 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.1 CCCNCc1ccc(cn1)C AIFCHEM-94569018920 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.1 CCCNCc1ccc(nc1)C AIFCHEM-5814844407 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.1 CCCNCc1ccc(nc1)Cl AIFCHEM-94569024760 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.1 CCCNCc1ccc(nc1)F AIFCHEM-5875471513 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.1 COCC=Cc1ccc(cc1)F AIFCHEM-6359501464 [0,2,0,0,0,0|1,0,1]=4 110 B12R1.1 Cc1ccc(cc1)CNCCF AIFCHEM-5861558895 [0,2,0,0,0,0|1,0,0]=3 111 B12R1.1 FCCNCc1ccc(cc1)Cl AIFCHEM-5800462737 [0,2,0,0,0,0|1,0,0]=3 112 B12R1.1 FCCNCc1ccc(cc1)I AIFCHEM-5853759708 [0,2,0,0,0,0|1,0,0]=3 113 B12R1.1 FCCNCc1ccc(cn1)Br AIFCHEM-5853553610 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.1 N#CCNCc1ccc(cc1)I AIFCHEM-94558703521 [0,2,0,0,0,0|1,0,1]=4 115 B12R1.1 OCCNCc1ccc(cc1)O AIFCHEM-6411472161 [0,2,0,0,0,0|1,0,0]=3 116 B12R1.1 OCCNCc1ccc(cn1)Cl AIFCHEM-94577778244 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.16 CCCN(C)c1ccc(cc1)C AIFCHEM-94569020742 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.16 CCCN(C)c1ccc(cc1)I AIFCHEM-94569022906 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.16 CCNC(C)c1ccc(cc1)C AIFCHEM-94537423224 [0,2,0,0,0,0|1,0,0]=3 120 B12R1.16 CCNC(C)c1ccc(cc1)Cl AIFCHEM-94537423780 [0,2,0,0,0,0|1,0,0]=3 121 B12R1.16 CCN[C@@H](C)c1ccc(cc1)C AIFCHEM-94526455596 [0,2,0,0,0,0|1,0,0]=3 122 B12R1.16 CCN[C@@H](C)c1ccc(cc1)Cl AIFCHEM-94563416897 [0,2,0,0,0,0|1,0,0]=3 123 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O AIFCHEM-94537411195 [0,2,0,0,0,0|1,0,0]=3 124 B12R1.16 CCN[C@H](C)c1ccc(cc1)C AIFCHEM-94537421477 [0,2,0,0,0,0|1,0,0]=3 125 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl AIFCHEM-94600892790 [0,2,0,0,0,0|1,0,0]=3 126 B12R1.16 CCN[C@H](C)c1ccc(cc1)O AIFCHEM-94537418040 [0,2,0,0,0,0|1,0,0]=3 127 B12R1.21 CC(C)NCc1ccc(cc1)Br AIFCHEM-94520536724 [0,2,0,0,0,0|1,0,0]=3 128 B12R1.21 CC(C)NCc1ccc(nc1)Br AIFCHEM-94520537856 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.21 CC(C)NCc1ccc(nc1)F AIFCHEM-94520541532 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.21 CC(O)C=Cc1ccc(cc1)O AIFCHEM-94601033022 [0,2,0,0,0,0|1,0,1]=4 131 B12R1.21 Cc1ccc(cc1)C=CC(C)O AIFCHEM-94528939842 [0,2,0,0,0,0|1,0,1]=4 132 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl AIFCHEM-94526499445 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.49 CCN(C)Cc1ccc(cc1)F AIFCHEM-94537421330 [0,2,0,0,0,0|1,0,0]=3 134 B12R1.49 CCN(C)Cc1ccc(cc1)I AIFCHEM-94563256363 [0,2,0,0,0,0|1,0,0]=3 135 B12R1.49 CCN(C)Cc1ccc(cn1)Br AIFCHEM-94563257979 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.49 CCN(C)Cc1ccc(cn1)C AIFCHEM-6097802220 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.49 CCN(C)Cc1ccc(nc1)Cl AIFCHEM-94537413214 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.49 CCN(C)Cc1ccc(nc1)F AIFCHEM-94563260004 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.69 CCCNc1ccc(cc1Br)Br AIFCHEM-94569020646 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.69 CCCNc1ccc(cc1Br)Cl AIFCHEM-94569023399 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.69 CCCNc1ccc(cc1Br)I AIFCHEM-94569016947 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.69 CCCNc1ccc(cc1C)O AIFCHEM-94569016792 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.69 CCCNc1ccc(cc1Cl)C AIFCHEM-94569020647 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.69 CCCNc1ccc(cc1I)C AIFCHEM-94569016914 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.69 CCCNc1ccc(cc1O)Cl AIFCHEM-94569016810 [0,2,0,0,0,0|2,0,0]=4 146 B12R1.69 CCNCc1ccc(cc1C)C AIFCHEM-94537427365 [0,2,0,0,0,0|1,0,0]=3 147 B12R1.69 CCNCc1ccc(cc1C)F AIFCHEM-94537425312 [0,2,0,0,0,0|1,0,0]=3 148 B12R1.69 CCNCc1ccc(cc1F)Br AIFCHEM-94591862674 [0,2,0,0,0,0|1,0,0]=3 149 B12R1.69 CCNCc1ccc(cc1F)C AIFCHEM-94537413387 [0,2,0,0,0,0|1,0,0]=3 150 B12R1.69 CCNCc1ccc(cc1O)Br AIFCHEM-94537417660 [0,2,0,0,0,0|1,0,0]=3 151 B12R1.69 CCNCc1ccc(cc1O)F AIFCHEM-94537426255 [0,2,0,0,0,0|1,0,0]=3 152 B12R1.69 CCNCc1ncc(cc1Br)F AIFCHEM-94537413960 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.69 CCNCc1ncc(cc1Cl)Br AIFCHEM-94537415293 [0,2,0,0,0,0|2,0,0]=4 154 B12R1.69 CCNCc1ncc(cc1Cl)F AIFCHEM-94537415294 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.69 CCNCc1ncc(cc1F)F AIFCHEM-94537413170 [0,2,0,0,0,0|2,0,0]=4 156 B12R1.71 CCCNc1ccc(cc1)OC AIFCHEM-94569015005 [0,2,0,0,0,0|2,0,0]=4 157 B12R1.71 CCNCc1ccc(nc1)C#N AIFCHEM-94537417193 [0,2,0,0,0,0|2,0,0]=4 158 B12R1.385 CCCNc1ccc(c(c1)Br)Cl AIFCHEM-94569022782 [0,2,0,0,0,0|2,0,0]=4 159 B12R1.385 CCCNc1ccc(c(c1)C)Br AIFCHEM-94569015014 [0,2,0,0,0,0|2,0,0]=4 160 B12R1.385 CCCNc1ccc(c(c1)Cl)Br AIFCHEM-94569015441 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.385 CCCNc1ccc(c(c1)I)Cl AIFCHEM-94569020145 [0,2,0,0,0,0|2,0,0]=4 162 B12R1.385 CCNCc1ccc(=O)n(c1)C AIFCHEM-94537417428 [0,2,0,0,0,0|2,0,0]=4 163 B12R1.385 CCNCc1ccc(c(c1)Br)F AIFCHEM-94537417927 [0,2,0,0,0,0|1,0,0]=3 164 B12R1.385 CCNCc1ccc(c(c1)C)F AIFCHEM-94537419376 [0,2,0,0,0,0|1,0,0]=3 165 B12R1.385 CCNCc1ccc(c(c1)Cl)C AIFCHEM-94537424345 [0,2,0,0,0,0|1,0,0]=3 166 B12R1.385 CCNCc1ccc(c(c1)Cl)Cl AIFCHEM-94537411446 [0,2,0,0,0,0|1,0,0]=3 167 B12R1.385 CCNCc1ccc(c(c1)F)Br AIFCHEM-94537423164 [0,2,0,0,0,0|1,0,0]=3 168 B12R1.385 CCNCc1ccc(c(c1)O)O AIFCHEM-94537416373 [0,2,0,0,0,0|1,0,0]=3 169 B12R1.3 CCNC(CC)c1ccccn1 AIFCHEM-94537413631 [0,2,0,0,0,0|2,0,0]=4 170 B12R1.3 CCNC(CC)c1ccncc1 AIFCHEM-94537423405 [0,2,0,0,0,0|2,0,0]=4 171 B12R1.17 CCNC(C)c1cccc(c1)Cl AIFCHEM-94537421230 [0,2,0,0,0,0|1,0,0]=3 172 B12R1.17 CCNC(C)c1cccc(c1)F AIFCHEM-94537425058 [0,2,0,0,0,0|1,0,0]=3 173 B12R1.17 CCN[C@@H](C)c1cccc(c1)Cl AIFCHEM-94599591141 [0,2,0,0,0,0|1,0,0]=3 174 B12R1.17 CCN[C@@H](C)c1cccc(c1)F AIFCHEM-94519043752 [0,2,0,0,0,0|1,0,0]=3 175 B12R1.17 CCN[C@H](C)c1cccc(c1)Cl AIFCHEM-94570734528 [0,2,0,0,0,0|1,0,0]=3 176 B12R1.17 CCN[C@H](C)c1cccc(c1)F AIFCHEM-94537420186 [0,2,0,0,0,0|1,0,0]=3 177 B12R1.30 CCCCN(C)c1ccncc1 AIFCHEM-94523028571 [0,2,0,0,0,0|2,0,0]=4 178 B12R1.30 CCCNC(=O)c1ccccc1 AIFCHEM-94565582226 [0,2,0,0,0,0|1,0,1]=4 179 B12R1.308 CCCN(C)c1ccccc1Br AIFCHEM-94569021465 [0,2,0,0,0,0|2,0,0]=4 180 B12R1.308 CCNC(C)c1ccccc1O AIFCHEM-94537426788 [0,2,0,0,0,0|1,0,0]=3 181 B12R1.308 CCN[C@@H](C)c1ccccc1O AIFCHEM-94543553652 [0,2,0,0,0,0|1,0,0]=3 182 B12R1.308 CCN[C@H](C)c1ccccc1O AIFCHEM-94537413736 [0,2,0,0,0,0|1,0,0]=3 183 B12R1.25 CCCNc1cccc(c1C)Br AIFCHEM-94585196993 [0,2,0,0,0,0|2,0,0]=4 184 B12R1.25 CCCNc1cccc(c1C)C AIFCHEM-94569023327 [0,2,0,0,0,0|2,0,0]=4 185 B12R1.25 CCCNc1cccc(c1F)C AIFCHEM-94569014814 [0,2,0,0,0,0|2,0,0]=4 186 B12R1.25 CCCNc1cccc(c1O)Br AIFCHEM-94569016759 [0,2,0,0,0,0|2,0,0]=4 187 B12R1.25 CCNCc1cccc(c1C)C AIFCHEM-94537422315 [0,2,0,0,0,0|1,0,0]=3 188 B12R1.25 CCNCc1cccc(c1F)Br AIFCHEM-94537412770 [0,2,0,0,0,0|1,0,0]=3 189 B12R1.25 CCNCc1cccc(c1O)Br AIFCHEM-94537417018 [0,2,0,0,0,0|1,0,0]=3 190 B12R1.25 CCNCc1cccc(c1O)C AIFCHEM-94537417662 [0,2,0,0,0,0|1,0,0]=3 191 B12R1.25 CCNCc1cccc(c1O)F AIFCHEM-94537418038 [0,2,0,0,0,0|1,0,0]=3 192 B12R1.25 CCNCc1cccc(c1O)O AIFCHEM-94537413035 [0,2,0,0,0,0|1,0,0]=3 193 B12R1.121 CCCNc1ccccc1SC AIFCHEM-94569016982 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.121 CCNCc1ccccc1C#N AIFCHEM-94537420512 [0,2,0,0,0,0|1,0,0]=3 195 B12R1.125 CC(=O)NCc1ccccc1Br AIFCHEM-94605352816 [0,2,0,0,0,0|1,0,1]=4 196 B12R1.125 CC(=O)NCc1ccccc1O AIFCHEM-94535601059 [0,2,0,0,0,0|1,0,1]=4 197 B12R1.125 CC(C)CNc1ccccc1F AIFCHEM-94582105931 [0,2,0,0,0,0|2,0,0]=4 198 B12R1.125 CC(C)NCc1ccccc1O AIFCHEM-94532460180 [0,2,0,0,0,0|1,0,0]=3 199 B12R1.125 CC(C)NCc1cccnc1O AIFCHEM-94541098053 [0,2,0,0,0,0|2,0,0]=4 200 B12R1.125 CC(C)NCc1ccncc1O AIFCHEM-94520538410 [0,2,0,0,0,0|2,0,0]=4 201 B12R1.125 CC(C)NCc1cnccc1O AIFCHEM-94520542511 [0,2,0,0,0,0|2,0,0]=4 202 B12R1.125 CC(C)NCc1ncccc1Br AIFCHEM-94520540091 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.125 CC(O)C=Cc1ccccc1F AIFCHEM-6194306919 [0,2,0,0,0,0|1,0,1]=4 204 B12R1.125 Cc1cccnc1CNC(C)C AIFCHEM-94520540832 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.267 CCCCNc1cccnc1Cl AIFCHEM-94523040091 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.267 CCCCNc1cnccc1O AIFCHEM-94523040136 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.267 CCCCNc1ncccc1C AIFCHEM-94523032559 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.267 CCCCNc1ncccc1F AIFCHEM-94523034766 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.267 CCCCNc1ncccc1O AIFCHEM-94523032927 [0,2,0,0,0,0|2,0,0]=4 210 B12R1.267 CCCNCc1ccccc1Cl AIFCHEM-94555005997 [0,2,0,0,0,0|1,0,0]=3 211 B12R1.267 CCCNCc1ccccc1O AIFCHEM-94592060285 [0,2,0,0,0,0|1,0,0]=3 212 B12R1.267 CCCNCc1cccnc1Br AIFCHEM-5792684305 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.267 CCCNCc1ccncc1Br AIFCHEM-94521371032 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.267 CCCNCc1ncccc1Br AIFCHEM-5875357386 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.267 CCCNCc1ncccc1C AIFCHEM-5791070021 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.267 CCCNCc1ncccc1Cl AIFCHEM-94521368071 [0,2,0,0,0,0|2,0,0]=4 217 B12R1.267 CCOC=Cc1ccc[nH]c1=O AIFCHEM-6368439997 [0,2,0,0,0,0|1,0,1]=4 218 B12R1.267 CCOC=Cc1ccccc1C AIFCHEM-94536265848 [0,2,0,0,0,0|0,0,1]=3 219 B12R1.267 CCOC=Cc1ccncc1F AIFCHEM-94580719021 [0,2,0,0,0,0|1,0,1]=4 220 B12R1.267 CCOC=Cc1cnccc1O AIFCHEM-94580726356 [0,2,0,0,0,0|1,0,1]=4 221 B12R1.267 CCOC=Cc1ncccc1O AIFCHEM-94580723888 [0,2,0,0,0,0|1,0,1]=4 222 B12R1.267 COCC=Cc1ccccc1F AIFCHEM-6203896649 [0,2,0,0,0,0|1,0,1]=4 223 B12R1.267 COCC=Cc1ccccc1O AIFCHEM-6341471182 [0,2,0,0,0,0|1,0,1]=4 224 B12R1.267 Cc1cccnc1CNCCO AIFCHEM-6463388064 [0,2,0,0,0,0|2,0,0]=4 225 B12R1.267 Cc1ccncc1CNCCF AIFCHEM-5871113118 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.267 FCCNCc1ncccc1Br AIFCHEM-5861675649 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.267 FCCNCc1ncccc1F AIFCHEM-5853648356 [0,2,0,0,0,0|2,0,0]=4 228 B12R1.267 N#CCNCc1ccccc1Br AIFCHEM-94558707092 [0,2,0,0,0,0|1,0,1]=4 229 B12R1.267 N#CCNCc1ccccc1F AIFCHEM-94558705901 [0,2,0,0,0,0|1,0,1]=4 230 B12R1.267 N#CCNCc1ccccc1O AIFCHEM-94532467514 [0,2,0,0,0,0|1,0,1]=4 231 B12R1.267 OCCNCc1ccccc1O AIFCHEM-94532459344 [0,2,0,0,0,0|1,0,0]=3 232 B12R1.267 OCCNCc1cccnc1Br AIFCHEM-94577776039 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.267 OCCNCc1ccncc1Cl AIFCHEM-6481474968 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.267 OCCNCc1ccncc1F AIFCHEM-94577778813 [0,2,0,0,0,0|2,0,0]=4 235 B12R1.267 OCCNCc1ncccc1Br AIFCHEM-6481413800 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.267 Oc1ccccc1CNCCF AIFCHEM-94532465977 [0,2,0,0,0,0|1,0,0]=3 237 B12R1.371 CCN(C)Cc1ccccc1O AIFCHEM-94563261019 [0,2,0,0,0,0|1,0,0]=3 238 B12R1.371 CCN(C)Cc1cccnc1Cl AIFCHEM-6097675241 [0,2,0,0,0,0|2,0,0]=4 239 B12R1.371 CCN(C)Cc1ccncc1O AIFCHEM-94563256882 [0,2,0,0,0,0|2,0,0]=4 240 B12R1.371 CCN(C)Cc1cnccc1C AIFCHEM-94563258991 [0,2,0,0,0,0|2,0,0]=4 241 B12R1.374 CCCNc1cc(ccc1Br)Br AIFCHEM-94570336825 [0,2,0,0,0,0|2,0,0]=4 242 B12R1.374 CCCNc1cc(ccc1Br)I AIFCHEM-94569009317 [0,2,0,0,0,0|2,0,0]=4 243 B12R1.374 CCCNc1cc(ccc1C)Br AIFCHEM-94569018213 [0,2,0,0,0,0|2,0,0]=4 244 B12R1.374 CCCNc1cc(ccc1Cl)C AIFCHEM-94569024602 [0,2,0,0,0,0|2,0,0]=4 245 B12R1.374 CCCNc1cc(ccc1F)Cl AIFCHEM-94569015331 [0,2,0,0,0,0|2,0,0]=4 246 B12R1.374 CCCNc1cc(ccc1F)O AIFCHEM-94569020737 [0,2,0,0,0,0|2,0,0]=4 247 B12R1.374 CCCNc1cc(ccc1O)Br AIFCHEM-94569018465 [0,2,0,0,0,0|2,0,0]=4 248 B12R1.374 CCCNc1cc(ccc1O)O AIFCHEM-94569015160 [0,2,0,0,0,0|2,0,0]=4 249 B12R1.374 CCNCc1cc(ccc1C)C AIFCHEM-94537427224 [0,2,0,0,0,0|1,0,0]=3 250 B12R1.374 CCNCc1cc(ccc1O)Br AIFCHEM-94537417084 [0,2,0,0,0,0|1,0,0]=3 251 B12R1.374 CCNCc1cc(ccc1O)C AIFCHEM-94577948395 [0,2,0,0,0,0|1,0,0]=3 252 B12R1.374 CCNCc1cc(ccc1O)Cl AIFCHEM-94537421158 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.374 CCNCc1cc(ccc1O)F AIFCHEM-94537412553 [0,2,0,0,0,0|1,0,0]=3 254 B12R1.1631 CCNCc1c(cccc1Br)O AIFCHEM-94537418656 [0,2,0,0,0,0|1,0,0]=3 255 B12R1.1631 CCNCc1c(cccc1F)C AIFCHEM-94537412417 [0,2,0,0,0,0|1,0,0]=3 256 B12R1.1631 CCNCc1c(cccc1F)O AIFCHEM-94537418182 [0,2,0,0,0,0|1,0,0]=3 257 B12R1.28 CCCC=Cc1cccc(c1)F AIFCHEM-6382549502 [0,2,0,0,0,0|1,0,1]=4 258 B12R1.28 CCCCNc1cccc(c1)Br AIFCHEM-94552679827 [0,2,0,0,0,0|1,0,0]=3 259 B12R1.28 CCCCNc1cccc(c1)I AIFCHEM-94523040021 [0,2,0,0,0,0|1,0,0]=3 260 B12R1.28 CCCCNc1ccnc(c1)Br AIFCHEM-94523041478 [0,2,0,0,0,0|2,0,0]=4 261 B12R1.28 CCCCNc1ccnc(c1)F AIFCHEM-94523033648 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.28 CCCCNc1cncc(c1)I AIFCHEM-94523035566 [0,2,0,0,0,0|2,0,0]=4 263 B12R1.28 CCCNCc1cccc(c1)O AIFCHEM-94569022018 [0,2,0,0,0,0|1,0,0]=3 264 B12R1.28 CCCNCc1cccc(n1)Br AIFCHEM-5853283410 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.28 CCCNCc1cccc(n1)Cl AIFCHEM-94569013145 [0,2,0,0,0,0|2,0,0]=4 266 B12R1.28 CCCNCc1cccc(n1)F AIFCHEM-94521368095 [0,2,0,0,0,0|2,0,0]=4 267 B12R1.28 CCCNCc1ccnc(c1)C AIFCHEM-5790952841 [0,2,0,0,0,0|2,0,0]=4 268 B12R1.28 CCCNCc1ccnc(c1)O AIFCHEM-5853495193 [0,2,0,0,0,0|2,0,0]=4 269 B12R1.28 CCOC=Cc1cc(ccn1)C AIFCHEM-6256482326 [0,2,0,0,0,0|1,0,1]=4 270 B12R1.28 CCOC=Cc1cc[nH]c(=O)c1 AIFCHEM-94580720950 [0,2,0,0,0,0|1,0,1]=4 271 B12R1.28 CCOC=Cc1cccc(c1)C AIFCHEM-6334722464 [0,2,0,0,0,0|0,0,1]=3 272 B12R1.28 CCOC=Cc1cncc(c1)F AIFCHEM-6287292515 [0,2,0,0,0,0|1,0,1]=4 273 B12R1.28 COCC=Cc1cccc(c1)N AIFCHEM-94552694627 [0,2,0,0,0,0|1,0,1]=4 274 B12R1.28 Cc1cc(ccn1)CNCCO AIFCHEM-6481582523 [0,2,0,0,0,0|2,0,0]=4 275 B12R1.28 Cc1cccc(c1)CNCC#N AIFCHEM-94558706853 [0,2,0,0,0,0|1,0,1]=4 276 B12R1.28 Cc1ccnc(c1)CNCCF AIFCHEM-5871099234 [0,2,0,0,0,0|2,0,0]=4 277 B12R1.28 Cc1cncc(c1)CNCCO AIFCHEM-94577775047 [0,2,0,0,0,0|2,0,0]=4 278 B12R1.28 FCCNCc1ccnc(c1)Cl AIFCHEM-5800418282 [0,2,0,0,0,0|2,0,0]=4 279 B12R1.28 N#CCNCc1cccc(c1)F AIFCHEM-94558705933 [0,2,0,0,0,0|1,0,1]=4 280 B12R1.28 N#CCNCc1cccc(c1)I AIFCHEM-94558707245 [0,2,0,0,0,0|1,0,1]=4 281 B12R1.28 OCCNCc1cc(ccn1)Br AIFCHEM-94577776143 [0,2,0,0,0,0|2,0,0]=4 282 B12R1.50 CCC(=O)Nc1cccc(c1)C AIFCHEM-94526499544 [0,2,0,0,0,0|2,0,0]=4 283 B12R1.50 CCN(C)Cc1cc(ccn1)Br AIFCHEM-6099079462 [0,2,0,0,0,0|2,0,0]=4 284 B12R1.50 CCN(C)Cc1cccc(c1)F AIFCHEM-94563258775 [0,2,0,0,0,0|1,0,0]=3 285 B12R1.50 CCN(C)Cc1cccc(c1)O AIFCHEM-94563254727 [0,2,0,0,0,0|1,0,0]=3 286 B12R1.50 CCN(C)Cc1cccc(n1)Cl AIFCHEM-6118661081 [0,2,0,0,0,0|2,0,0]=4 287 B12R1.50 CCN(C)Cc1cccc(n1)F AIFCHEM-94563257182 [0,2,0,0,0,0|2,0,0]=4 288 B12R1.50 CCN(C)Cc1ccnc(c1)O AIFCHEM-94563256925 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.50 CCN(C)Cc1cncc(c1)F AIFCHEM-94563258512 [0,2,0,0,0,0|2,0,0]=4 290 B12R1.100 CCCNc1cc(cc(c1)Br)Cl AIFCHEM-94569024749 [0,2,0,0,0,0|2,0,0]=4 291 B12R1.100 CCCNc1cc(cc(c1)F)F AIFCHEM-94569017963 [0,2,0,0,0,0|2,0,0]=4 292 B12R1.100 CCCNc1cc(cc(c1)I)I AIFCHEM-94569017682 [0,2,0,0,0,0|2,0,0]=4 293 B12R1.100 CCCNc1cc(cc(c1)O)C AIFCHEM-94569022321 [0,2,0,0,0,0|2,0,0]=4 294 B12R1.100 CCNCc1cc(cc(c1)C)C AIFCHEM-94537425460 [0,2,0,0,0,0|1,0,0]=3 295 B12R1.226 CC(C)NCc1cccc(c1)Br AIFCHEM-94520539518 [0,2,0,0,0,0|1,0,0]=3 296 B12R1.226 CC(C)NCc1cccc(c1)I AIFCHEM-94520541615 [0,2,0,0,0,0|1,0,0]=3 297 B12R1.226 CC(C)NCc1cncc(c1)Br AIFCHEM-94520536752 [0,2,0,0,0,0|2,0,0]=4 298 B12R1.226 Cc1ccnc(c1)CNC(C)C AIFCHEM-94520540677 [0,2,0,0,0,0|2,0,0]=4 299 B12R1.382 CCCNc1cccc(c1)C#N AIFCHEM-94571669059 [0,2,0,0,0,0|2,0,0]=4 300 B12R1.8 CCNCCCc1cccnc1 AIFCHEM-94537421400 [0,2,0,0,0,0|2,0,0]=4 301 B12R1.8 CCNCCOc1cccnc1 AIFCHEM-94537420048 [0,2,0,0,0,0|2,0,0]=4 302 B12R1.8 CSCCCNc1ccncc1 AIFCHEM-94546183382 [0,2,0,0,0,0|2,0,0]=4 303 B12R1.8 CSCCNCc1cccnc1 AIFCHEM-94598922606 [0,2,0,0,0,0|2,0,0]=4 304 B12R1.8 OCCCNCc1cccnc1 AIFCHEM-94523164274 [0,2,0,0,0,0|2,0,0]=4 305 B12R1.27 CC(CF)NCc1ccncc1 AIFCHEM-6106353417 [0,2,0,0,0,0|2,0,0]=4 306 B12R1.27 CCC(C)CNc1ccccn1 AIFCHEM-5933383275 [0,2,0,0,0,0|2,0,0]=4 307 B12R1.27 C[C@@H](CF)NCc1ccncc1 AIFCHEM-6033408698 [0,2,0,0,0,0|2,0,0]=4 308 B12R1.27 C[C@H](CF)NCc1ccncc1 AIFCHEM-6088513543 [0,2,0,0,0,0|2,0,0]=4 309 B12R1.32 CCCN(C)Cc1ccccn1 AIFCHEM-5860218756 [0,2,0,0,0,0|2,0,0]=4 310 B12R1.32 CN(CCO)Cc1cccnc1 AIFCHEM-94548505566 [0,2,0,0,0,0|2,0,0]=4 311 B12R1.32 O=C(CCO)Nc1ccccc1 AIFCHEM-94552044770 [0,2,0,0,0,0|2,0,0]=4 312 B12R1.252 CC(C)CNCc1ccccn1 AIFCHEM-94572980232 [0,2,0,0,0,0|2,0,0]=4 313 B12R1.252 CC(O)CNCc1ccncc1 AIFCHEM-6416585554 [0,2,0,0,0,0|2,0,0]=4 314 B12R1.252 C[C@@H](O)CNCc1ccncc1 AIFCHEM-6490834951 [0,2,0,0,0,0|2,0,0]=4 315 B12R1.252 C[C@H](O)CNCc1ccncc1 AIFCHEM-6495203428 [0,2,0,0,0,0|2,0,0]=4 316 B12R1.43 CC(C)N(C)Cc1cccnc1 AIFCHEM-94547939400 [0,2,0,0,0,0|2,0,0]=4 317 B12R1.118 CCC(CO)Nc1ccccc1 AIFCHEM-94552035952 [0,2,0,0,0,0|2,0,0]=4 318 B12R1.891 CC(C)(C)C=Cc1ccccc1 AIFCHEM-94590917879 [0,2,0,0,0,0|1,0,1]=4 319 B12R1.891 CC(C)(O)C=Cc1ccccc1 AIFCHEM-94590917375 [0,2,0,0,0,0|1,0,1]=4 320 B12R2.2 C1=C(CCC1)c2ccccc2 AIFCHEM-94590916958 [0,1,0,1,0,0|1,0,1]=4 321 B12R2.2 C1=C(COC1)c2ccccc2 AIFCHEM-6345845864 [0,1,0,1,0,0|0,0,1]=3 322 B12R2.2 C1=C(COC1)c2ccccn2 AIFCHEM-6314040887 [0,1,0,1,0,0|1,0,1]=4 323 B12R2.2057 c1cc(ccn1)CNC2CC2 AIFCHEM-6108865476 [0,1,0,1,0,0|2,0,0]=4 324 B12R2.2057 c1cncc(c1)CNC2CC2 AIFCHEM-94573316464 [0,1,0,1,0,0|2,0,0]=4 325 B12R2.2058 C(=C1CCC1)c2ccccc2 AIFCHEM-6322825111 [0,1,0,1,0,0|1,0,1]=4 326 B12R2.2058 c1cc(ccn1)CN2CCC2 AIFCHEM-94604924562 [0,1,0,1,0,0|2,0,0]=4 327 B12R2.2058 c1cncc(c1)NC2CCC2 AIFCHEM-94531001888 [0,1,0,1,0,0|2,0,0]=4 328 B8R1.8 CCNc1ccsc1 AIFCHEM-94568866699 [1,0,0,0,1,0|2,0,0]=4