0 B11R1.91 CC(=O)NCc1ccccn1 AIFCHEM-5686879180 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.91 CC(=O)NCc1ccncn1 AIFCHEM-94605339593 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.91 CC(=O)NCc1cnccn1 AIFCHEM-94535589218 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.91 CC(C)NCc1cccnc1 AIFCHEM-94520540451 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.17 CCCNc1ccccc1 AIFCHEM-94552032560 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.17 CCNCc1ccccn1 AIFCHEM-94537420895 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.21 CC(=O)NCc1ccc(nn1)Cl AIFCHEM-6136039517 [0,1,0,0,0,0|3,0,0]=4 7 B12R1.21 CC(=O)NCc1ncc(cn1)Cl AIFCHEM-6212177524 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.21 CC(C)NCc1ccc(cc1)Br AIFCHEM-94520536724 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.27 C#CC(=O)NCc1cccnc1 AIFCHEM-94525198393 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.27 O=C(CO)NCc1cccnc1 AIFCHEM-6213017725 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.27 O=C(CO)NCc1ccncc1 AIFCHEM-94532684529 [0,1,0,0,0,0|2,0,0]=3 12 B12R1.27 O=C(CO)NCc1cnccn1 AIFCHEM-94604424653 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.43 CC(=O)N(C)Cc1ccncc1 AIFCHEM-94531380102 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.107 CC(=O)NC(C)c1ccccn1 AIFCHEM-5837712398 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.107 CC(=O)N[C@@H](C)c1ccccn1 AIFCHEM-5685771532 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.107 CC(=O)N[C@H](C)c1ccccn1 AIFCHEM-94582277765 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.125 CC(=O)NCc1ccccc1Br AIFCHEM-94605352816 [0,1,0,0,0,0|1,0,0]=2 18 B12R1.125 CC(=O)NCc1ccccc1O AIFCHEM-94535601059 [0,1,0,0,0,0|1,0,0]=2 19 B12R1.125 CC(C)NCc1ccccc1O AIFCHEM-94532460180 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.226 CC(=O)NCc1cccc(n1)C AIFCHEM-5718068665 [0,1,0,0,0,0|2,0,0]=3 21 B12R1.226 CC(=O)NCc1cncc(c1)C AIFCHEM-94535591610 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.226 CC(C)NCc1cccc(c1)Br AIFCHEM-94520539518 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.226 CC(C)NCc1cccc(c1)I AIFCHEM-94520541615 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.18 CC(=Cc1ccccc1)C AIFCHEM-6323250098 [0,0,0,0,1,0|1,0,1]=3 25 B10R1.18 CC(=Cc1ccncc1)C AIFCHEM-6347813633 [0,0,0,0,1,0|2,0,1]=4 26 B10R1.18 CC(=O)Nc1cccnn1 AIFCHEM-5873465756 [0,0,0,0,1,0|3,0,0]=4 27 B10R1.18 CC(=O)Nc1ccncc1 AIFCHEM-94535587956 [0,0,0,0,1,0|2,0,0]=3 28 B10R1.18 CC(=O)Nc1ccnnc1 AIFCHEM-5598224670 [0,0,0,0,1,0|3,0,0]=4 29 B10R1.18 CC(=O)Nc1cncnc1 AIFCHEM-94605354528 [0,0,0,0,1,0|3,0,0]=4 30 B10R1.66 CC(=O)NCc1ccc[nH]1 AIFCHEM-94605343937 [0,0,0,0,1,0|2,0,0]=3 31 B10R1.66 CC(=O)NCc1cccs1 AIFCHEM-6123944273 [0,0,0,0,1,0|2,0,0]=3 32 B12R1.252 NC(=O)CNCc1cccnc1 AIFCHEM-94550118278 [0,0,0,0,0,1|3,0,0]=4 33 B12R1.252 O=C(O)CNCc1cccnc1 AIFCHEM-94542885083 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.1 CCNCc1ccc(cc1)Cl AIFCHEM-94537411696 [1,1,0,0,0,0|1,0,1]=4 35 B11R1.1 CCNCc1ccc(cc1)F AIFCHEM-94530368408 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.17 CCNCc1ccccc1F AIFCHEM-94520796946 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.17 CCNCc1ccccc1O AIFCHEM-94537427248 [1,1,0,0,0,0|1,0,1]=4 38 B11R1.24 CCNCc1cccc(c1)C AIFCHEM-94537252418 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.40 CCN(C)Cc1ccccc1 AIFCHEM-94537411577 [1,1,0,0,0,0|1,0,1]=4 40 B11R1.20 CC(=O)Nc1ccc(cn1)C AIFCHEM-5874295902 [0,1,0,0,1,0|2,0,0]=4 41 B11R1.36 CC(=O)N(C)c1ccccn1 AIFCHEM-94605353384 [0,1,0,0,1,0|2,0,0]=4 42 B11R1.36 CC(=O)N(C)c1cccnc1 AIFCHEM-6180237801 [0,1,0,0,1,0|2,0,0]=4 43 B11R1.86 CC(=O)Nc1ccccc1C AIFCHEM-94578149958 [0,1,0,0,1,0|1,0,0]=3 44 B11R1.86 CC(=O)Nc1ccccc1F AIFCHEM-6022739701 [0,1,0,0,1,0|1,0,0]=3 45 B11R1.86 CC(=O)Nc1ccccc1I AIFCHEM-94605354755 [0,1,0,0,1,0|1,0,0]=3 46 B11R1.86 CC(=O)Nc1ccccc1O AIFCHEM-94605355387 [0,1,0,0,1,0|1,0,0]=3 47 B11R1.86 CC(=O)Nc1ccncc1C AIFCHEM-94535593404 [0,1,0,0,1,0|2,0,0]=4 48 B11R1.86 CC(=O)Nc1cnccc1I AIFCHEM-5844328599 [0,1,0,0,1,0|2,0,0]=4 49 B11R1.86 CC(=O)Nc1cnccc1O AIFCHEM-94605354960 [0,1,0,0,1,0|2,0,0]=4 50 B11R1.157 CC(=O)Nc1cc(ccn1)O AIFCHEM-94605352203 [0,1,0,0,1,0|2,0,0]=4 51 B11R1.157 CC(=O)Nc1cccc(c1)C AIFCHEM-94605355038 [0,1,0,0,1,0|1,0,0]=3 52 B11R1.157 CC(=O)Nc1cccc(c1)F AIFCHEM-94579356885 [0,1,0,0,1,0|1,0,0]=3 53 B11R1.157 CC(=O)Nc1cccc(c1)I AIFCHEM-94605354864 [0,1,0,0,1,0|1,0,0]=3 54 B11R1.157 CC(=O)Nc1cncc(c1)C AIFCHEM-94524195082 [0,1,0,0,1,0|2,0,0]=4 55 B11R1.157 CC(=O)Nc1cncc(c1)F AIFCHEM-5999042768 [0,1,0,0,1,0|2,0,0]=4 56 B11R1.75 CC(=O)NCc1ccc(o1)Br AIFCHEM-94535592842 [0,1,0,0,1,0|2,0,0]=4 57 B11R1.75 CC(=O)NCc1ccc(s1)Br AIFCHEM-6251014657 [0,1,0,0,1,0|2,0,0]=4 58 B11R1.75 CC(=O)NCc1ccc(s1)C AIFCHEM-94561602504 [0,1,0,0,1,0|2,0,0]=4 59 B11R1.77 CC(=O)NC(C)c1ccsc1 AIFCHEM-5948428859 [0,1,0,0,1,0|2,0,0]=4 60 B13R1.149 O=C(O)CNCc1cccc(c1)Cl AIFCHEM-94542885656 [0,1,0,0,0,1|2,0,0]=4 61 B13R1.158 NC(=O)CNCc1ccccc1F AIFCHEM-94550118098 [0,1,0,0,0,1|2,0,0]=4 62 B13R1.158 NC(=O)CNCc1ccccc1O AIFCHEM-94550120374 [0,1,0,0,0,1|2,0,0]=4 63 B13R1.158 O=C(O)CNCc1ccccc1O AIFCHEM-94532467001 [0,1,0,0,0,1|2,0,0]=4 64 B13R1.513 O=C(O)CNCc1ccc(cc1)Cl AIFCHEM-94542881087 [0,1,0,0,0,1|2,0,0]=4 65 B13R1.718 CNC(=O)CNCc1ccncc1 AIFCHEM-94562545745 [0,1,0,0,0,1|2,0,0]=4 66 B13R1.718 COC(=O)CNCc1ccncc1 AIFCHEM-6212392937 [0,1,0,0,0,1|2,0,0]=4 67 B13R1.3 CC(=O)NCc1ccc(cc1)C#N AIFCHEM-94535592120 [0,2,0,0,0,0|1,0,0]=3 68 B13R1.3 CC(=O)NCc1ccc(nc1)C#N AIFCHEM-94535592930 [0,2,0,0,0,0|2,0,0]=4 69 B13R1.3 CCc1ccc(cc1)CNC(=O)C AIFCHEM-94605355910 [0,2,0,0,0,0|1,0,0]=3 70 B13R1.14 CCC(=O)NCc1ccc(cc1)Br AIFCHEM-94526505617 [0,2,0,0,0,0|1,0,0]=3 71 B13R1.14 CCC(=O)NCc1ccc(cn1)Br AIFCHEM-94526501149 [0,2,0,0,0,0|2,0,0]=4 72 B13R1.14 CCC(=O)NCc1ccc(cn1)F AIFCHEM-94526508447 [0,2,0,0,0,0|2,0,0]=4 73 B13R1.14 Cc1ccc(cn1)CNC(=O)CO AIFCHEM-94532683707 [0,2,0,0,0,0|2,0,0]=4 74 B13R1.14 O=C(CO)NCc1ccc(cn1)Br AIFCHEM-94532676354 [0,2,0,0,0,0|2,0,0]=4 75 B13R1.132 CC(=O)NC(C)c1ccc(cc1)Br AIFCHEM-5787514248 [0,2,0,0,0,0|1,0,0]=3 76 B13R1.132 CC(=O)NC(C)c1ccc(cn1)Br AIFCHEM-94605348585 [0,2,0,0,0,0|2,0,0]=4 77 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)Br AIFCHEM-94605351492 [0,2,0,0,0,0|1,0,0]=3 78 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)O AIFCHEM-94605335334 [0,2,0,0,0,0|1,0,0]=3 79 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cn1)Br AIFCHEM-94605342969 [0,2,0,0,0,0|2,0,0]=4 80 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br AIFCHEM-5772270039 [0,2,0,0,0,0|1,0,0]=3 81 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)O AIFCHEM-5627835211 [0,2,0,0,0,0|1,0,0]=3 82 B13R1.132 CC(=O)N[C@H](C)c1ccc(cn1)Br AIFCHEM-94605358050 [0,2,0,0,0,0|2,0,0]=4 83 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O AIFCHEM-5781434716 [0,2,0,0,0,0|1,0,0]=3 84 B13R1.164 CC(=O)NCc1ccc(cc1C)Br AIFCHEM-94574541023 [0,2,0,0,0,0|1,0,0]=3 85 B13R1.164 CC(=O)NCc1ccc(cc1C)C AIFCHEM-94605357867 [0,2,0,0,0,0|1,0,0]=3 86 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Cl AIFCHEM-94535599161 [0,2,0,0,0,0|1,0,0]=3 87 B13R1.164 CC(=O)NCc1ccc(cc1F)C AIFCHEM-94535599453 [0,2,0,0,0,0|1,0,0]=3 88 B13R1.164 CC(=O)NCc1ccc(cc1O)Br AIFCHEM-94605348591 [0,2,0,0,0,0|1,0,0]=3 89 B13R1.164 CC(=O)NCc1ccc(cc1O)F AIFCHEM-94535600212 [0,2,0,0,0,0|1,0,0]=3 90 B13R1.164 CC(=O)NCc1ncc(cc1Br)F AIFCHEM-5769439965 [0,2,0,0,0,0|2,0,0]=4 91 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Br AIFCHEM-94590031293 [0,2,0,0,0,0|1,0,0]=3 92 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)F AIFCHEM-5841829334 [0,2,0,0,0,0|1,0,0]=3 93 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Cl AIFCHEM-94605355739 [0,2,0,0,0,0|1,0,0]=3 94 B13R1.511 CC(=O)NCc1ccc(c(c1)O)F AIFCHEM-6047279791 [0,2,0,0,0,0|1,0,0]=3 95 B13R1.511 CC(=O)NCc1ccc(c(c1)O)O AIFCHEM-94535592243 [0,2,0,0,0,0|1,0,0]=3 96 B13R1.11 CC(NC(=O)CO)c1ccncc1 AIFCHEM-94532678716 [0,2,0,0,0,0|2,0,0]=4 97 B13R1.11 CCC(=O)NC(C)c1ccncc1 AIFCHEM-94575925208 [0,2,0,0,0,0|2,0,0]=4 98 B13R1.11 CCC(=O)N[C@@H](C)c1ccncc1 AIFCHEM-94526505823 [0,2,0,0,0,0|2,0,0]=4 99 B13R1.11 CCC(=O)N[C@H](C)c1ccncc1 AIFCHEM-94526498994 [0,2,0,0,0,0|2,0,0]=4 100 B13R1.11 C[C@@H](NC(=O)CO)c1ccncc1 AIFCHEM-5660659082 [0,2,0,0,0,0|2,0,0]=4 101 B13R1.11 C[C@H](NC(=O)CO)c1ccncc1 AIFCHEM-94567331355 [0,2,0,0,0,0|2,0,0]=4 102 B13R1.15 C#CC(=O)NCc1cccc(c1)O AIFCHEM-94525201626 [0,2,0,0,0,0|1,0,1]=4 103 B13R1.15 CCC(=O)NCc1cccc(c1)O AIFCHEM-94526510073 [0,2,0,0,0,0|1,0,0]=3 104 B13R1.15 CCC(=O)NCc1cncc(c1)Br AIFCHEM-94586404877 [0,2,0,0,0,0|2,0,0]=4 105 B13R1.15 Cc1cccc(n1)CNC(=O)CO AIFCHEM-5766022009 [0,2,0,0,0,0|2,0,0]=4 106 B13R1.15 O=C(CO)NCc1cccc(c1)Br AIFCHEM-94532674370 [0,2,0,0,0,0|1,0,0]=3 107 B13R1.42 C#CCC(=O)NCc1cccnc1 AIFCHEM-6213935175 [0,2,0,0,0,0|2,0,0]=4 108 B13R1.42 C#CCC(=O)NCc1ccncc1 AIFCHEM-5854950968 [0,2,0,0,0,0|2,0,0]=4 109 B13R1.42 CC#CC(=O)NCc1ccccn1 AIFCHEM-5687008164 [0,2,0,0,0,0|2,0,0]=4 110 B13R1.42 COCC(=O)NCc1cccnc1 AIFCHEM-6237937685 [0,2,0,0,0,0|2,0,0]=4 111 B13R1.42 COCC(=O)NCc1ccncc1 AIFCHEM-94574678558 [0,2,0,0,0,0|2,0,0]=4 112 B13R1.42 CSCC(=O)NCc1ccccn1 AIFCHEM-5770002698 [0,2,0,0,0,0|2,0,0]=4 113 B13R1.42 N#CCC(=O)NCc1ccccn1 AIFCHEM-94559917383 [0,2,0,0,0,0|2,0,0]=4 114 B13R1.42 N#CCC(=O)NCc1ccncc1 AIFCHEM-94559917385 [0,2,0,0,0,0|2,0,0]=4 115 B13R1.135 CCC(=O)N(C)Cc1ccccc1 AIFCHEM-94536109342 [0,2,0,0,0,0|1,0,0]=3 116 B13R1.528 C#CC(=O)NCc1ccccc1C AIFCHEM-94525203031 [0,2,0,0,0,0|1,0,1]=4 117 B13R1.528 C#CC(=O)NCc1ccccc1Cl AIFCHEM-94525203032 [0,2,0,0,0,0|1,0,1]=4 118 B13R1.528 C#CC(=O)NCc1ccccc1O AIFCHEM-94592072286 [0,2,0,0,0,0|1,0,1]=4 119 B13R1.528 CCC(=O)NCc1ccccc1C AIFCHEM-94526511478 [0,2,0,0,0,0|1,0,0]=3 120 B13R1.528 CCC(=O)NCc1ccccc1O AIFCHEM-94592074375 [0,2,0,0,0,0|1,0,0]=3 121 B13R1.528 CCC(=O)NCc1ccncc1F AIFCHEM-94526511127 [0,2,0,0,0,0|2,0,0]=4 122 B13R1.528 CCC(=O)NCc1cnccc1C AIFCHEM-94526502485 [0,2,0,0,0,0|2,0,0]=4 123 B13R1.528 CCC(=O)NCc1ncccc1Br AIFCHEM-94526499382 [0,2,0,0,0,0|2,0,0]=4 124 B13R1.528 CCC(=O)NCc1ncccc1C AIFCHEM-94526506664 [0,2,0,0,0,0|2,0,0]=4 125 B13R1.528 CCC(=O)NCc1ncccc1F AIFCHEM-94526506171 [0,2,0,0,0,0|2,0,0]=4 126 B13R1.528 O=C(CO)NCc1ccccc1Br AIFCHEM-5867710510 [0,2,0,0,0,0|1,0,0]=3 127 B13R1.528 O=C(CO)NCc1ccccc1I AIFCHEM-94532682311 [0,2,0,0,0,0|1,0,0]=3 128 B13R1.528 O=C(CO)NCc1ccccc1O AIFCHEM-94532675766 [0,2,0,0,0,0|1,0,0]=3 129 B13R1.528 O=C(CO)NCc1ccncc1Br AIFCHEM-94532679734 [0,2,0,0,0,0|2,0,0]=4 130 B13R1.528 O=C(CO)NCc1ncccc1Br AIFCHEM-94532674587 [0,2,0,0,0,0|2,0,0]=4 131 B13R1.528 O=C(CO)NCc1ncccc1Cl AIFCHEM-94532683009 [0,2,0,0,0,0|2,0,0]=4 132 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl AIFCHEM-94535596079 [0,2,0,0,0,0|1,0,0]=3 133 B13R1.202 CC(=O)N(C)Cc1ccccc1O AIFCHEM-94535597948 [0,2,0,0,0,0|1,0,0]=3 134 B13R1.418 CCN(Cc1cccnc1)C(=O)C AIFCHEM-94605351835 [0,2,0,0,0,0|2,0,0]=4 135 B13R1.147 CC(=O)N[C@@H](C)c1cccc(c1)O AIFCHEM-94586561523 [0,2,0,0,0,0|1,0,0]=3 136 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)O AIFCHEM-94535600030 [0,2,0,0,0,0|1,0,0]=3 137 B13R1.201 CC(=O)NC(C)c1ccccc1C AIFCHEM-6031738269 [0,2,0,0,0,0|1,0,0]=3 138 B13R1.201 CC(=O)NC(C)c1ccccc1O AIFCHEM-94603821401 [0,2,0,0,0,0|1,0,0]=3 139 B13R1.201 CC(=O)N[C@@H](C)c1ccccc1C AIFCHEM-94549756172 [0,2,0,0,0,0|1,0,0]=3 140 B13R1.201 CC(=O)N[C@@H](C)c1ccccc1O AIFCHEM-94543560091 [0,2,0,0,0,0|1,0,0]=3 141 B13R1.201 CC(=O)N[C@H](C)c1ccccc1C AIFCHEM-94535588497 [0,2,0,0,0,0|1,0,0]=3 142 B13R1.201 CC(=O)N[C@H](C)c1ccccc1O AIFCHEM-94535590096 [0,2,0,0,0,0|1,0,0]=3 143 B13R1.713 CCC(NC(=O)C)c1ccncc1 AIFCHEM-94605354632 [0,2,0,0,0,0|2,0,0]=4 144 B13R1.150 CC(=O)NCc1cccc(c1Cl)F AIFCHEM-94605355735 [0,2,0,0,0,0|1,0,0]=3 145 B13R1.150 CC(=O)NCc1cccc(c1O)Br AIFCHEM-94605347587 [0,2,0,0,0,0|1,0,0]=3 146 B13R1.150 CC(=O)NCc1cccc(c1O)C AIFCHEM-94605348593 [0,2,0,0,0,0|1,0,0]=3 147 B13R1.150 CC(=O)NCc1cccc(c1O)F AIFCHEM-94535593612 [0,2,0,0,0,0|1,0,0]=3 148 B13R1.150 CC(=O)NCc1cccc(c1O)O AIFCHEM-94535589508 [0,2,0,0,0,0|1,0,0]=3 149 B13R1.893 CC(=O)NCc1cc(ccc1C)Cl AIFCHEM-94570248829 [0,2,0,0,0,0|1,0,0]=3 150 B13R1.893 CC(=O)NCc1cc(ccc1F)Br AIFCHEM-94605348980 [0,2,0,0,0,0|1,0,0]=3 151 B13R1.893 CC(=O)NCc1cc(ccc1O)Br AIFCHEM-94535592844 [0,2,0,0,0,0|1,0,0]=3 152 B13R1.893 CC(=O)NCc1cc(ccc1O)C AIFCHEM-94577951124 [0,2,0,0,0,0|1,0,0]=3 153 B13R1.893 CC(=O)NCc1cc(ccc1O)Cl AIFCHEM-94535596130 [0,2,0,0,0,0|1,0,0]=3 154 B13R1.893 CC(=O)NCc1cc(ccc1O)F AIFCHEM-94535589094 [0,2,0,0,0,0|1,0,0]=3 155 B13R1.3787 CC(=O)NCc1c(cccc1Br)O AIFCHEM-94535594124 [0,2,0,0,0,0|1,0,0]=3 156 B13R1.3787 CC(=O)NCc1c(cccc1F)C AIFCHEM-6163991500 [0,2,0,0,0,0|1,0,0]=3 157 B13R1.3787 CC(=O)NCc1c(cccc1F)O AIFCHEM-94535593728 [0,2,0,0,0,0|1,0,0]=3 158 B13R1.3420 CC(=O)NCc1cc(cc(c1)C)C AIFCHEM-5610552638 [0,2,0,0,0,0|1,0,0]=3 159 B13R1.3420 CC(=O)NCc1cc(cc(c1)F)O AIFCHEM-6203779326 [0,2,0,0,0,0|1,0,0]=3 160 B13R2.72 CC(=O)N1CCc2c1cncc2 AIFCHEM-5724062776 [0,0,0,1,0,1|2,0,0]=4 161 B13R2.72 CC(=O)N1CCc2c1nccc2 AIFCHEM-6172570028 [0,0,0,1,0,1|2,0,0]=4 162 B13R2.435 CC(=O)N1Cc2ccccc2C1 AIFCHEM-94605352066 [0,1,0,1,0,0|1,0,0]=3