0 B10R1.15 C/C=C(\C)/c1ccccn1 AIFCHEM-94584209692 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 C/C=C(\C)/c1cccnn1 AIFCHEM-94584222994 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 C/C=C(\C)/c1cnccn1 AIFCHEM-94584219793 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 CCN(C)c1cccnc1 AIFCHEM-94537417258 [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 B11R1.16 CCNC(C)c1cccnc1 AIFCHEM-94537412581 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.16 CCN[C@@H](C)c1cccnc1 AIFCHEM-94593286246 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.16 CCN[C@H](C)c1cccnc1 AIFCHEM-94529449831 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.22 C/C=C(\C)/c1ccc(cc1)C AIFCHEM-94584220431 [0,1,0,0,0,0|1,0,1]=3 11 B11R1.22 C/C=C(\C)/c1ccc(nc1)O AIFCHEM-94584212304 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.22 CCN(C)c1ccc(cc1)Br AIFCHEM-94537424462 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.22 CCN(C)c1ccc(cc1)C AIFCHEM-94537423659 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.22 CCN(C)c1ccc(cc1)I AIFCHEM-94568454920 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.22 CCN(C)c1ccc(cc1)O AIFCHEM-94520567749 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.23 C/C=C(\C)/c1cc(ccn1)C AIFCHEM-94584218926 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.23 C/C=C(\C)/c1cccc(c1)F AIFCHEM-94584209876 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.23 C/C=C(\C)/c1cccc(n1)C AIFCHEM-94584219398 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.23 C/C=C(\C)/c1cccc(n1)N AIFCHEM-94584215194 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.23 C/C=C(\C)/c1cccc(n1)O AIFCHEM-94584216776 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.23 C/C=C(\C)/c1ccnc(c1)C AIFCHEM-94584215958 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.23 CCN(C)c1cccc(c1)Br AIFCHEM-94537415946 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.23 CCN(C)c1ccnc(c1)Br AIFCHEM-94537425886 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.23 CCN(C)c1cncc(c1)C AIFCHEM-94537416284 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.222 C/C=C(\C)/c1ccccc1O AIFCHEM-94584219423 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.222 C/C=C(\C)/c1ncccc1O AIFCHEM-94584218309 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.222 CCN(C)c1cnccc1C AIFCHEM-94537425388 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.11 C/C=C(\C)/c1ccco1 AIFCHEM-94584220027 [0,0,0,0,1,0|2,0,1]=4 29 B9R1.11 C/C=C(\C)/c1ccoc1 AIFCHEM-94584215864 [0,0,0,0,1,0|2,0,1]=4 30 B11R1.40 C#CC(=O)Nc1cccnc1 AIFCHEM-94525199177 [0,0,0,0,0,1|1,0,2]=4 31 B11R1.40 CCC(=O)Nc1ccccn1 AIFCHEM-94526506315 [0,0,0,0,0,1|1,0,0]=2 32 B11R1.40 CCC(=O)Nc1cccnn1 AIFCHEM-94554024128 [0,0,0,0,0,1|2,0,0]=3 33 B11R1.40 CCN(C)Cc1ccccc1 AIFCHEM-94537411577 [0,0,0,0,0,1|2,0,0]=3 34 B11R1.40 CCN(C)Cc1cccnc1 AIFCHEM-94537417880 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.40 O=C(CO)Nc1cccnc1 AIFCHEM-94531016168 [0,0,0,0,0,1|2,0,0]=3 36 B10R1.1 CC=Cc1ccc(cc1)N AIFCHEM-94608719473 [1,1,0,0,0,0|0,0,1]=3 37 B10R1.1 CC=Cc1ccc(cn1)F AIFCHEM-6302156631 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.1 CCNc1ccc(cc1)C AIFCHEM-94537411875 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.1 CCNc1ccc(nc1)Br AIFCHEM-94537414731 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.1 CCNc1ccc(nc1)F AIFCHEM-94537417232 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.1 CCNc1ccc(nc1)O AIFCHEM-94537412774 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.4 CC=Cc1ccccc1C AIFCHEM-6371242545 [1,1,0,0,0,0|0,0,1]=3 43 B10R1.4 CC=Cc1cnccc1F AIFCHEM-6369068956 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.4 CCNc1ccccc1Br AIFCHEM-94537427481 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.4 CCNc1ccccc1O AIFCHEM-94537427514 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.4 CCNc1cccnc1Br AIFCHEM-94537421189 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.4 CCNc1cccnc1I AIFCHEM-94537418171 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.4 CCNc1ccncc1Br AIFCHEM-94537414732 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.4 CCNc1ccncc1C AIFCHEM-94537417774 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.4 CCNc1ccncc1Cl AIFCHEM-94537417739 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.4 CCNc1ccncc1F AIFCHEM-94537418714 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.4 CCNc1ccncc1I AIFCHEM-94537426496 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.4 CCNc1ncccc1Br AIFCHEM-94537414733 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.4 CCNc1ncccc1C AIFCHEM-94537416246 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.4 CCNc1ncccc1Cl AIFCHEM-94537421147 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.10 CC=Cc1cc(ccn1)C AIFCHEM-6229029433 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.10 CC=Cc1cc(ccn1)F AIFCHEM-6308154391 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.10 CCNc1cccc(n1)Br AIFCHEM-94537417741 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.10 CCNc1cccc(n1)Cl AIFCHEM-94537421828 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.10 CCNc1cncc(c1)Br AIFCHEM-94537414734 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.10 CCNc1cncc(c1)C AIFCHEM-94524188643 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.10 CCNc1cncc(c1)Cl AIFCHEM-94537418676 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.10 CCNc1cncc(c1)O AIFCHEM-94532888502 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.17 CCCNc1ccccc1 AIFCHEM-94552032560 [1,1,0,0,0,0|0,0,1]=3 65 B10R1.17 CCNCc1ccccn1 AIFCHEM-94537420895 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.18 CC(=Cc1ccccc1)C AIFCHEM-6323250098 [1,1,0,0,0,0|0,0,1]=3 67 B10R1.18 CC(=Cc1ccncc1)C AIFCHEM-6347813633 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.32 C#CCC(=O)Nc1cccnc1 AIFCHEM-94531012180 [0,1,0,0,0,1|1,0,1]=4 69 B12R1.32 CC#CC(=O)Nc1ccccc1 AIFCHEM-94552045484 [0,1,0,0,0,1|0,0,1]=3 70 B12R1.32 CC#CC(=O)Nc1ccncc1 AIFCHEM-94533902132 [0,1,0,0,0,1|1,0,1]=4 71 B12R1.32 COCC(=O)Nc1ccncc1 AIFCHEM-94533902369 [0,1,0,0,0,1|1,0,0]=3 72 B12R1.32 COCC(=O)Nc1ccncn1 AIFCHEM-6224347880 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.32 COCC(=O)Nc1ccnnc1 AIFCHEM-5598324713 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.32 CSCC(=O)Nc1ccnnc1 AIFCHEM-5666051440 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.32 O=C(CCO)Nc1ccccc1 AIFCHEM-94552044770 [0,1,0,0,0,1|0,0,0]=2 76 B12R1.32 O=C(CCO)Nc1ccncc1 AIFCHEM-94533901418 [0,1,0,0,0,1|1,0,0]=3 77 B12R1.43 CC(C)C(=O)Nc1ccncc1 AIFCHEM-94545049393 [0,1,0,0,0,1|1,0,0]=3 78 B12R1.43 CC(C)C(=O)Nc1ccncn1 AIFCHEM-94545050289 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.43 CC(C)C(=O)Nc1ccnnc1 AIFCHEM-94545046115 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.49 C#CC(=O)Nc1ccc(cc1)Br AIFCHEM-94608726591 [0,1,0,0,0,1|0,0,2]=4 81 B12R1.49 C#CC(=O)Nc1ccc(cc1)Cl AIFCHEM-94586018469 [0,1,0,0,0,1|0,0,2]=4 82 B12R1.49 C#CC(=O)Nc1ccc(cc1)O AIFCHEM-94525200720 [0,1,0,0,0,1|0,0,2]=4 83 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl AIFCHEM-94526499445 [0,1,0,0,0,1|0,0,0]=2 84 B12R1.49 CCC(=O)Nc1ccc(cn1)Br AIFCHEM-94526499500 [0,1,0,0,0,1|1,0,0]=3 85 B12R1.49 CCC(=O)Nc1ccc(cn1)O AIFCHEM-94526508419 [0,1,0,0,0,1|1,0,0]=3 86 B12R1.49 CCC(=O)Nc1ccc(nn1)Br AIFCHEM-94526511343 [0,1,0,0,0,1|2,0,0]=4 87 B12R1.49 CCC(=O)Nc1ccc(nn1)Cl AIFCHEM-94526508315 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.49 CCC(=O)Nc1ccc(nn1)F AIFCHEM-94526499584 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.49 CCC(=O)Nc1cnc(nc1)C AIFCHEM-94526507082 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.49 CCC(=O)Nc1cnc(nc1)Cl AIFCHEM-94526508497 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.49 CCN(C)Cc1ccc(cc1)F AIFCHEM-94537421330 [0,1,0,0,0,1|2,0,0]=4 92 B12R1.49 CCN(C)Cc1ccc(cc1)I AIFCHEM-94563256363 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.49 O=C(CO)Nc1ccc(cc1)I AIFCHEM-94532683447 [0,1,0,0,0,1|1,0,0]=3 94 B12R1.49 O=C(CO)Nc1ccc(cc1)O AIFCHEM-94532676141 [0,1,0,0,0,1|1,0,0]=3 95 B12R1.50 C#CC(=O)Nc1cccc(c1)C AIFCHEM-94525191097 [0,1,0,0,0,1|0,0,2]=4 96 B12R1.50 C#CC(=O)Nc1cccc(c1)F AIFCHEM-94579361398 [0,1,0,0,0,1|0,0,2]=4 97 B12R1.50 CCC(=O)Nc1cc(ccn1)I AIFCHEM-94526508375 [0,1,0,0,0,1|1,0,0]=3 98 B12R1.50 CCC(=O)Nc1cccc(c1)C AIFCHEM-94526499544 [0,1,0,0,0,1|0,0,0]=2 99 B12R1.50 CCC(=O)Nc1ccnc(c1)O AIFCHEM-94526506964 [0,1,0,0,0,1|1,0,0]=3 100 B12R1.50 CCC(=O)Nc1cncc(c1)C AIFCHEM-94526506478 [0,1,0,0,0,1|1,0,0]=3 101 B12R1.50 CCC(=O)Nc1cncc(c1)I AIFCHEM-94526505527 [0,1,0,0,0,1|1,0,0]=3 102 B12R1.50 CCN(C)Cc1cccc(c1)F AIFCHEM-94563258775 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.50 CCN(C)Cc1cccc(c1)O AIFCHEM-94563254727 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.118 CCC(CO)Nc1ccccc1 AIFCHEM-94552035952 [0,1,0,0,0,1|0,0,2]=4 105 B12R1.371 C#CC(=O)Nc1ccccc1I AIFCHEM-94525200532 [0,1,0,0,0,1|0,0,2]=4 106 B12R1.371 CCC(=O)Nc1cccnc1C AIFCHEM-94526506476 [0,1,0,0,0,1|1,0,0]=3 107 B12R1.371 CCC(=O)Nc1ccn[nH]c1=O AIFCHEM-94526508379 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.371 CCC(=O)Nc1ccncc1Br AIFCHEM-94526501822 [0,1,0,0,0,1|1,0,0]=3 109 B12R1.371 CCC(=O)Nc1ccncc1C AIFCHEM-94526504326 [0,1,0,0,0,1|1,0,0]=3 110 B12R1.371 CCC(=O)Nc1ncccc1C AIFCHEM-94526503053 [0,1,0,0,0,1|1,0,0]=3 111 B12R1.371 CCC(=O)Nc1nccnc1C AIFCHEM-94526504310 [0,1,0,0,0,1|2,0,0]=4 112 B12R1.371 CCN(C)Cc1ccccc1O AIFCHEM-94563261019 [0,1,0,0,0,1|2,0,0]=4 113 B12R1.371 O=C(CO)Nc1ccccc1I AIFCHEM-94532684184 [0,1,0,0,0,1|1,0,0]=3 114 B12R1.371 O=C(CO)Nc1ccncc1O AIFCHEM-94532683263 [0,1,0,0,0,1|2,0,0]=4 115 B12R1.371 O=C(CO)Nc1cnccc1I AIFCHEM-94532674635 [0,1,0,0,0,1|2,0,0]=4 116 B12R1.371 O=C(CO)Nc1ncccc1F AIFCHEM-94532680083 [0,1,0,0,0,1|2,0,0]=4 117 B12R1.13 CCN(CC)c1cccc(c1)C AIFCHEM-94537411443 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.16 CCCN(C)c1ccc(cc1)C AIFCHEM-94569020742 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.16 CCCN(C)c1ccc(cc1)I AIFCHEM-94569022906 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.16 CCNC(C)c1ccc(cc1)C AIFCHEM-94537423224 [0,2,0,0,0,0|1,0,1]=4 121 B12R1.16 CCNC(C)c1ccc(cc1)Cl AIFCHEM-94537423780 [0,2,0,0,0,0|1,0,1]=4 122 B12R1.16 CCN[C@@H](C)c1ccc(cc1)C AIFCHEM-94526455596 [0,2,0,0,0,0|1,0,1]=4 123 B12R1.16 CCN[C@@H](C)c1ccc(cc1)Cl AIFCHEM-94563416897 [0,2,0,0,0,0|1,0,1]=4 124 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O AIFCHEM-94537411195 [0,2,0,0,0,0|1,0,1]=4 125 B12R1.16 CCN[C@H](C)c1ccc(cc1)C AIFCHEM-94537421477 [0,2,0,0,0,0|1,0,1]=4 126 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl AIFCHEM-94600892790 [0,2,0,0,0,0|1,0,1]=4 127 B12R1.16 CCN[C@H](C)c1ccc(cc1)O AIFCHEM-94537418040 [0,2,0,0,0,0|1,0,1]=4 128 B12R1.17 CCNC(C)c1cccc(c1)Cl AIFCHEM-94537421230 [0,2,0,0,0,0|1,0,1]=4 129 B12R1.17 CCNC(C)c1cccc(c1)F AIFCHEM-94537425058 [0,2,0,0,0,0|1,0,1]=4 130 B12R1.17 CCN[C@@H](C)c1cccc(c1)Cl AIFCHEM-94599591141 [0,2,0,0,0,0|1,0,1]=4 131 B12R1.17 CCN[C@@H](C)c1cccc(c1)F AIFCHEM-94519043752 [0,2,0,0,0,0|1,0,1]=4 132 B12R1.17 CCN[C@H](C)c1cccc(c1)Cl AIFCHEM-94570734528 [0,2,0,0,0,0|1,0,1]=4 133 B12R1.17 CCN[C@H](C)c1cccc(c1)F AIFCHEM-94537420186 [0,2,0,0,0,0|1,0,1]=4 134 B12R1.30 CCCNC(=O)c1ccccc1 AIFCHEM-94565582226 [0,2,0,0,0,0|0,0,0]=2 135 B12R1.30 CCCNC(=O)c1cncnc1 AIFCHEM-5793656241 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.107 CC(C)NC(=O)c1cnccn1 AIFCHEM-94520552475 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.107 CC(C)NC(=O)c1cncnc1 AIFCHEM-94520549056 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.308 CCCN(C)c1ccccc1Br AIFCHEM-94569021465 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.308 CCNC(C)c1ccccc1O AIFCHEM-94537426788 [0,2,0,0,0,0|1,0,1]=4 140 B12R1.308 CCN[C@@H](C)c1ccccc1O AIFCHEM-94543553652 [0,2,0,0,0,0|1,0,1]=4 141 B12R1.308 CCN[C@H](C)c1ccccc1O AIFCHEM-94537413736 [0,2,0,0,0,0|1,0,1]=4 142 B12R1.5 C/C=C(\C)/c1ccc(cc1)SC AIFCHEM-94584209307 [0,2,0,0,0,0|1,0,1]=4 143 B12R1.5 CCN(C)c1ccc(cc1)OC AIFCHEM-94537411832 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.367 C/C=C(\C)/c1ccc(c(c1)F)F AIFCHEM-94584217608 [0,2,0,0,0,0|1,0,1]=4 145 B12R1.367 C/C=C(\C)/c1ccc(c(c1)N)F AIFCHEM-94584216942 [0,2,0,0,0,0|1,0,1]=4 146 B12R1.367 C/C=C(\C)/c1ccc(c(c1)O)N AIFCHEM-94584218023 [0,2,0,0,0,0|1,0,1]=4 147 B12R1.367 C/C=C(\C)/c1ccc(c(c1)O)O AIFCHEM-94584214301 [0,2,0,0,0,0|1,0,1]=4 148 B12R1.1703 C/C=C(\C)/c1ccc(cc1N)N AIFCHEM-94584220466 [0,2,0,0,0,0|1,0,1]=4 149 B12R1.1703 CCN(C)c1ccc(cc1Br)Br AIFCHEM-94537424930 [0,2,0,0,0,0|2,0,0]=4 150 B12R1.24 C/C=C(\C)/c1cccc(c1C)O AIFCHEM-94584221859 [0,2,0,0,0,0|1,0,1]=4 151 B12R1.24 C/C=C(\C)/c1cccc(c1O)O AIFCHEM-94584213102 [0,2,0,0,0,0|1,0,1]=4 152 B12R1.354 C/C=C(\C)/c1cc(ccc1F)C AIFCHEM-94584218727 [0,2,0,0,0,0|1,0,1]=4 153 B12R1.354 C/C=C(\C)/c1cc(ccc1F)F AIFCHEM-94584218232 [0,2,0,0,0,0|1,0,1]=4 154 B12R1.354 C/C=C(\C)/c1cc(ccc1N)O AIFCHEM-94584221559 [0,2,0,0,0,0|1,0,1]=4 155 B12R1.354 C/C=C(\C)/c1cc(ccc1O)C AIFCHEM-94584220859 [0,2,0,0,0,0|1,0,1]=4 156 B12R1.354 C/C=C(\C)/c1cc(ccc1O)O AIFCHEM-94584220013 [0,2,0,0,0,0|1,0,1]=4 157 B12R1.354 CCN(C)c1cc(ccc1Cl)Br AIFCHEM-94537414216 [0,2,0,0,0,0|2,0,0]=4 158 B12R1.358 C/C=C(\C)/c1cc(cc(c1)F)C AIFCHEM-94584215320 [0,2,0,0,0,0|1,0,1]=4 159 B12R1.358 CCN(C)c1cc(cc(c1)F)F AIFCHEM-94537421896 [0,2,0,0,0,0|2,0,0]=4 160 B12R1.435 C/C=C(\C)/c1cccc(c1)C#N AIFCHEM-94584221084 [0,2,0,0,0,0|1,0,1]=4 161 B12R1.435 C/C=C(\C)/c1cccc(c1)CO AIFCHEM-94584213716 [0,2,0,0,0,0|1,0,1]=4 162 B12R1.435 C/C=C(\C)/c1cccc(c1)OC AIFCHEM-94584221738 [0,2,0,0,0,0|1,0,1]=4 163 B12R1.77 C/C=C(\C)/c1ccccc1OC AIFCHEM-94584219949 [0,2,0,0,0,0|1,0,1]=4 164 B12R1.3441 C/C=C(\C)/c1c(cccc1O)C AIFCHEM-94584215878 [0,2,0,0,0,0|1,0,1]=4 165 B10R1.96 CC=Cc1ccc(s1)CC AIFCHEM-6369862620 [0,0,1,1,0,0|0,1,1]=4 166 B12R2.2058 C(=C1CCC1)c2ccccc2 AIFCHEM-6322825111 [0,0,0,1,0,1|1,0,0]=3 167 B12R2.2058 C(=C1CCC1)c2ccccn2 AIFCHEM-6358671053 [0,0,0,1,0,1|2,0,0]=4 168 B12R2.2058 C(=C1CCC1)c2cccnc2 AIFCHEM-6427719025 [0,0,0,1,0,1|2,0,0]=4 169 B12R2.2 C1=C(CCC1)c2ccccc2 AIFCHEM-94590916958 [0,1,0,1,0,0|1,0,0]=3 170 B12R2.2 C1=C(COC1)c2ccccc2 AIFCHEM-6345845864 [0,1,0,1,0,0|1,0,0]=3 171 B12R2.2 C1=C(COC1)c2ccccn2 AIFCHEM-6314040887 [0,1,0,1,0,0|2,0,0]=4 172 B8R1.8 CCNc1ccsc1 AIFCHEM-94568866699 [1,0,0,0,1,0|2,0,0]=4 173 B12R1.27 O=C(CO)NCc1cccnc1 AIFCHEM-6213017725 [0,0,0,0,0,2|2,0,0]=4 174 B12R1.27 O=C(CO)NCc1ccncc1 AIFCHEM-94532684529 [0,0,0,0,0,2|2,0,0]=4