0 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F Z1201619760 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C Z406376788 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.21 CC(=O)CCC1=CC=C(C=C1)F Z406376784 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.21 CC(=O)CCC1=CC=C(C=C1)I Z1263632422 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Br Z816034502 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.21 CC(=O)NCC1=CC=C(C=C1)N Z600391558 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.21 CC(=O)NNC1=CC=C(C=C1)F Z30877183 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.21 CC(O)CCC1=CC=C(C=C1)O Z57921369 [0,0,0,0,0,0|1,0,3]=4 8 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)O Z2942851512 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.21 CC1=CC=C(C=C1)CCC(=O)N Z194976512 [0,0,0,0,0,0|2,0,2]=4 10 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O Z169855336 [0,0,0,0,0,0|1,0,2]=3 11 B12R1.21 CC1=CC=C(C=C1)CNC(=O)N Z198194838 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.21 CC1=CC=C(C=C1)OCC(=O)N Z19732046 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O Z56812739 [0,0,0,0,0,0|2,0,1]=3 14 B12R1.21 CC1=CC=C(C=C1)SCC(=O)N Z18770000 [0,0,0,0,0,0|3,0,1]=4 15 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O Z55903478 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.21 CC1=CN=C(C=C1)/C=C/C(=O)O Z1816507718 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.21 CC1=NC=C(C=C1)/C=C/C(=O)O Z1815157396 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.21 CC1=NC=C(C=C1)CCC(=O)O Z2310699273 [0,0,0,0,0,0|2,0,2]=4 19 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Br Z33545605 [0,0,0,0,0,0|2,0,0]=2 20 B12R1.21 NC(=O)CCC1=CC=C(C=C1)F Z87614992 [0,0,0,0,0,0|2,0,2]=4 21 B12R1.21 NC(=O)CCC1=CC=C(C=C1)N Z414316852 [0,0,0,0,0,0|2,0,2]=4 22 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Br Z104586672 [0,0,0,0,0,0|3,0,1]=4 23 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Cl Z104647358 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.21 NC(=O)CNC1=CC=C(C=C1)I Z104728120 [0,0,0,0,0,0|3,0,1]=4 25 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br Z19725712 [0,0,0,0,0,0|3,0,1]=4 26 B12R1.21 NC(=O)COC1=CC=C(C=C1)F Z19734788 [0,0,0,0,0,0|3,0,1]=4 27 B12R1.21 NC(=O)COC1=CC=C(C=C1)I Z25086979 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.21 NC(=O)COC1=CC=C(C=C1)N Z239127428 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.21 NC(=O)COC1=CC=C(C=C1)O Z381414726 [0,0,0,0,0,0|2,0,1]=3 30 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Br Z18744574 [0,0,0,0,0,0|3,0,1]=4 31 B12R1.21 NC(=O)CSC1=CC=C(C=C1)F Z16034821 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.21 NC(=O)NCC1=CC=C(C=C1)F Z198194834 [0,0,0,0,0,0|3,0,1]=4 33 B12R1.21 NC(=O)NCC1=CC=C(C=C1)N Z600391988 [0,0,0,0,0,0|3,0,1]=4 34 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O Z56762319 [0,0,0,0,0,0|1,0,0]=1 35 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O Z336079452 [0,0,0,0,0,0|1,0,2]=3 36 B12R1.21 NC1=CC=C(C=C1)OCC(=O)O Z3241275736 [0,0,0,0,0,0|2,0,1]=3 37 B12R1.21 NC1=NC=C(C=C1)/C=C/C(=O)O Z1374884316 [0,0,0,0,0,0|2,0,0]=2 38 B12R1.21 NC1=NC=C(C=C1)CCC(=O)O Z1255384430 [0,0,0,0,0,0|2,0,2]=4 39 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Br Z2237493681 [0,0,0,0,0,0|1,0,0]=1 40 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Cl Z56989206 [0,0,0,0,0,0|1,0,0]=1 41 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)F Z2942851074 [0,0,0,0,0,0|1,0,0]=1 42 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)O Z56911963 [0,0,0,0,0,0|0,0,0]=0 43 B12R1.21 O=C(O)/C=C/C1=CN=C(C=C1)Cl Z1962225677 [0,0,0,0,0,0|2,0,0]=2 44 B12R1.21 O=C(O)/C=C/C1=CN=C(C=C1)F Z2949503127 [0,0,0,0,0,0|2,0,0]=2 45 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Br Z118438622 [0,0,0,0,0,0|1,0,2]=3 46 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Cl Z178961272 [0,0,0,0,0,0|1,0,2]=3 47 B12R1.21 O=C(O)CCC1=CC=C(C=C1)F Z89264973 [0,0,0,0,0,0|1,0,2]=3 48 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [0,0,0,0,0,0|0,0,2]=2 49 B12R1.21 O=C(O)CCC1=CN=C(C=C1)Cl Z1695923041 [0,0,0,0,0,0|2,0,2]=4 50 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 Z1889997460 [0,0,0,0,0,0|1,0,3]=4 51 B12R1.21 O=C(O)CCC1=NC=C(C=C1)Br Z1269216724 [0,0,0,0,0,0|2,0,2]=4 52 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Br Z274534708 [0,0,0,0,0,0|2,0,1]=3 53 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Cl Z274534702 [0,0,0,0,0,0|2,0,1]=3 54 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O Z57127481 [0,0,0,0,0,0|1,0,1]=2 55 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br Z56812736 [0,0,0,0,0,0|2,0,1]=3 56 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl Z57181989 [0,0,0,0,0,0|2,0,1]=3 57 B12R1.21 O=C(O)COC1=CC=C(C=C1)F Z56978034 [0,0,0,0,0,0|2,0,1]=3 58 B12R1.21 O=C(O)COC1=CC=C(C=C1)I Z56943814 [0,0,0,0,0,0|2,0,1]=3 59 B12R1.21 O=C(O)COC1=CC=C(C=C1)O Z1192367471 [0,0,0,0,0,0|1,0,1]=2 60 B12R1.21 O=C(O)COC1=NC=C(C=C1)Br Z1269227587 [0,0,0,0,0,0|3,0,1]=4 61 B12R1.21 O=C(O)COC1=NC=C(C=C1)F Z1723875084 [0,0,0,0,0,0|3,0,1]=4 62 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Br Z55903477 [0,0,0,0,0,0|2,0,1]=3 63 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Cl Z55179956 [0,0,0,0,0,0|2,0,1]=3 64 B12R1.21 O=C(O)CSC1=CC=C(C=C1)F Z55903650 [0,0,0,0,0,0|2,0,1]=3 65 B12R1.21 O=C(O)CSC1=CC=C(C=C1)O Z733878444 [0,0,0,0,0,0|1,0,1]=2 66 B12R1.21 O=[N+]([O-])/C=C/C1=CC=C(C=C1)Cl Z208331660 [0,0,0,0,0,0|2,0,1]=3 67 B11R1.1 C=CCOC1=CC=C(C=C1)O Z381414818 [1,0,0,0,0,0|2,0,1]=4 68 B11R1.1 CC1=NC=C(C=C1)/C=C/C=O Z1695735078 [1,0,0,0,0,0|2,0,0]=3 69 B11R1.1 N#C/C=C/C1=CC=C(C=C1)Cl Z57640817 [1,0,0,0,0,0|2,0,1]=4 70 B11R1.1 NC/C=C/C1=CC=C(C=C1)Br Z2235681463 [1,0,0,0,0,0|2,0,1]=4 71 B11R1.1 O=C/C=C/C1=CC=C(C=C1)Br Z1269187977 [1,0,0,0,0,0|1,0,0]=2 72 B11R1.1 O=C/C=C/C1=CC=C(C=C1)Cl Z2242062296 [1,0,0,0,0,0|1,0,0]=2 73 B11R1.1 O=C/C=C/C1=CC=C(C=C1)F Z2768202189 [1,0,0,0,0,0|1,0,0]=2 74 B11R1.1 O=CCCC1=CC=C(C=C1)Br Z993017756 [1,0,0,0,0,0|1,0,2]=4 75 B11R1.1 O=CCCC1=CC=C(C=C1)Cl Z993017742 [1,0,0,0,0,0|1,0,2]=4 76 B11R1.1 O=CCCC1=CC=C(C=C1)F Z993017748 [1,0,0,0,0,0|1,0,2]=4 77 B11R1.1 O=CCOC1=CC=C(C=C1)F Z854102568 [1,0,0,0,0,0|2,0,1]=4 78 B11R1.1 O=CCSC1=CC=C(C=C1)F Z854102782 [1,0,0,0,0,0|2,0,1]=4 79 B11R1.1 OC/C=C/C1=CC=C(C=C1)O Z2235811101 [1,0,0,0,0,0|0,0,1]=2 80 B11R1.1 OCCOC1=CC=C(C=C1)O Z381414946 [1,0,0,0,0,0|1,0,2]=4 81 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 Z2582847786 [1,0,0,0,0,0|1,0,0]=2 82 B11R1.91 CC(=O)/C=C/C1=NC=CC=C1 Z2004564056 [1,0,0,0,0,0|2,0,0]=3 83 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [1,0,0,0,0,0|2,0,1]=4 84 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [1,0,0,0,0,0|2,0,1]=4 85 B11R1.91 CC(=O)NNC1=CC=CC=C1 Z27767717 [1,0,0,0,0,0|3,0,0]=4 86 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [1,0,0,0,0,0|2,0,1]=4 87 B11R1.91 NC(=O)/C=C/C1=CN=CC=C1 Z284112150 [1,0,0,0,0,0|2,0,0]=3 88 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [1,0,0,0,0,0|1,0,2]=4 89 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [1,0,0,0,0,0|2,0,1]=4 90 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [1,0,0,0,0,0|2,0,1]=4 91 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [1,0,0,0,0,0|2,0,1]=4 92 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [1,0,0,0,0,0|2,0,1]=4 93 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [1,0,0,0,0,0|2,0,1]=4 94 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [1,0,0,0,0,0|0,0,0]=1 95 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 Z2315575398 [1,0,0,0,0,0|1,0,0]=2 96 B11R1.91 O=C(O)/C=C/C1=CN=CC=C1 Z2315575379 [1,0,0,0,0,0|1,0,0]=2 97 B11R1.91 O=C(O)/C=C/C1=NC=CC=C1 Z57069085 [1,0,0,0,0,0|1,0,0]=2 98 B11R1.91 O=C(O)/C=C/C1=NC=CN=C1 Z445220894 [1,0,0,0,0,0|2,0,0]=3 99 B11R1.91 O=C(O)/C=C/C1=NC=NC=C1 Z1184882069 [1,0,0,0,0,0|2,0,0]=3 100 B11R1.91 O=C(O)C#CC1=CC=CC=C1 Z271128592 [1,0,0,0,0,0|0,0,2]=3 101 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [1,0,0,0,0,0|0,0,2]=3 102 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [1,0,0,0,0,0|1,0,2]=4 103 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [1,0,0,0,0,0|1,0,2]=4 104 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [1,0,0,0,0,0|1,0,2]=4 105 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [1,0,0,0,0,0|1,0,1]=3 106 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [1,0,0,0,0,0|2,0,1]=4 107 B11R1.91 O=C(O)CNC1=CN=CC=C1 Z3058782338 [1,0,0,0,0,0|2,0,1]=4 108 B11R1.91 O=C(O)CNC1=NC=CC=C1 Z2470036492 [1,0,0,0,0,0|2,0,1]=4 109 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [1,0,0,0,0,0|1,0,1]=3 110 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [1,0,0,0,0,0|2,0,1]=4 111 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [1,0,0,0,0,0|1,0,1]=3 112 B11R1.91 O=C(O)CSC1=CC=NC=C1 Z104479390 [1,0,0,0,0,0|2,0,1]=4 113 B11R1.91 O=C(O)CSC1=NC=CC=C1 Z31205663 [1,0,0,0,0,0|2,0,1]=4 114 B11R1.91 OB(O)/C=C/C1=CC=CC=C1 Z2315575087 [1,0,0,0,0,0|1,0,1]=3 115 B13R1.3 CCC1=CC=C(C=C1)/C=C/C(=O)O Z2942851866 [0,1,0,0,0,0|1,0,0]=2 116 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)O Z85929397 [0,1,0,0,0,0|1,0,2]=4 117 B13R1.3 CCC1=CC=C(C=C1)OCC(=O)O Z56824185 [0,1,0,0,0,0|2,0,1]=4 118 B13R1.3 COC1=CC=C(C=C1)/C=C/C(=O)O Z56931888 [0,1,0,0,0,0|0,0,0]=1 119 B13R1.3 COC1=CC=C(C=C1)/C=C/[N+](=O)[O-] Z56755542 [0,1,0,0,0,0|1,0,1]=3 120 B13R1.3 COC1=CC=C(C=C1)C#CC(=O)O Z57100824 [0,1,0,0,0,0|0,0,2]=3 121 B13R1.3 COC1=CC=C(C=C1)CCC(=O)N Z33545386 [0,1,0,0,0,0|1,0,2]=4 122 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O Z104486868 [0,1,0,0,0,0|0,0,2]=3 123 B13R1.3 COC1=CC=C(C=C1)CNC(=O)N Z198194812 [0,1,0,0,0,0|2,0,1]=4 124 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O Z57229609 [0,1,0,0,0,0|1,0,1]=3 125 B13R1.3 COC1=CC=C(C=C1)SCC(=O)N Z51312064 [0,1,0,0,0,0|2,0,1]=4 126 B13R1.3 COC1=CC=C(C=C1)SCC(=O)O Z56770877 [0,1,0,0,0,0|1,0,1]=3 127 B13R1.3 COC1=CN=C(C=C1)/C=C/C(=O)O Z1815157394 [0,1,0,0,0,0|1,0,0]=2 128 B13R1.3 COC1=NC=C(C=C1)CCC(=O)O Z1255504957 [0,1,0,0,0,0|1,0,2]=4 129 B13R1.3 COC1=NC=C(C=N1)/C=C/C(=O)O Z2887852697 [0,1,0,0,0,0|2,0,0]=3 130 B13R1.3 CSC1=CC=C(C=C1)/C=C/C(=O)O Z2895087258 [0,1,0,0,0,0|0,1,0]=2 131 B13R1.3 CSC1=CC=C(C=C1)CCC(=O)O Z363916360 [0,1,0,0,0,0|0,1,2]=4 132 B13R1.3 N#CC1=CC=C(C=C1)/C=C/C(=O)N Z33546125 [0,1,0,0,0,0|2,0,0]=3 133 B13R1.3 N#CC1=CC=C(C=C1)/C=C/C(=O)O Z2942851604 [0,1,0,0,0,0|1,0,0]=2 134 B13R1.3 N#CC1=CC=C(C=C1)CCC(=O)O Z178961286 [0,1,0,0,0,0|1,0,2]=4 135 B13R1.3 N#CC1=CC=C(C=C1)NCC(=O)O Z331870794 [0,1,0,0,0,0|2,0,1]=4 136 B13R1.3 N#CC1=CC=C(C=C1)OCC(=O)O Z56823031 [0,1,0,0,0,0|2,0,1]=4 137 B13R1.3 N#CC1=CC=C(C=C1)SCC(=O)O Z331871190 [0,1,0,0,0,0|2,0,1]=4 138 B13R1.3 NCC1=CC=C(C=C1)CCC(=O)O Z3301412701 [0,1,0,0,0,0|1,0,2]=4 139 B13R1.3 O=C(O)CCC1=CC=C(C=C1)CO Z1262512949 [0,1,0,0,0,0|0,0,2]=3 140 B13R1.3 O=C(O)COC1=CC=C(C=C1)CO Z359627548 [0,1,0,0,0,0|1,0,1]=3 141 B13R1.3 O=CC1=CC=C(C=C1)/C=C/C(=O)O Z1255434745 [0,1,0,0,0,0|0,0,1]=2 142 B13R1.3 O=CC1=CC=C(C=C1)CCC(=O)O Z1954800611 [0,1,0,0,0,0|0,0,3]=4 143 B13R1.3 O=CC1=CC=C(C=C1)OCC(=O)O Z57305439 [0,1,0,0,0,0|1,0,2]=4 144 B13R1.14 CNC(=O)/C=C/C1=CC=C(C=C1)C Z32016902 [0,1,0,0,0,0|2,0,0]=3 145 B13R1.14 CNC(=O)/C=C/C1=CC=C(C=C1)F Z32016729 [0,1,0,0,0,0|2,0,0]=3 146 B13R1.14 CNC(=O)COC1=CC=C(C=C1)O Z381414890 [0,1,0,0,0,0|2,0,1]=4 147 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Br Z18161847 [0,1,0,0,0,0|1,0,0]=2 148 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)F Z18711475 [0,1,0,0,0,0|1,0,0]=2 149 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)O Z24946550 [0,1,0,0,0,0|0,0,0]=1 150 B13R1.14 COC(=O)/C=C/C1=CN=C(C=C1)Cl Z2587766456 [0,1,0,0,0,0|2,0,0]=3 151 B13R1.14 COC(=O)/C=C/C1=CN=C(C=C1)F Z2949503064 [0,1,0,0,0,0|2,0,0]=3 152 B13R1.14 COC(=O)/C=C/C1=CN=C(C=C1)O Z2799082212 [0,1,0,0,0,0|1,0,0]=2 153 B13R1.14 COC(=O)CCC1=CC=C(C=C1)N Z802847350 [0,1,0,0,0,0|1,0,2]=4 154 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O Z796576156 [0,1,0,0,0,0|0,0,2]=3 155 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br Z19221314 [0,1,0,0,0,0|2,0,1]=4 156 B13R1.14 COC(=O)COC1=CC=C(C=C1)N Z57469153 [0,1,0,0,0,0|2,0,1]=4 157 B13R1.14 COC(=O)COC1=CC=C(C=C1)O Z1190318463 [0,1,0,0,0,0|1,0,1]=3 158 B13R1.14 COC(=O)CSC1=CC=C(C=C1)N Z5069220280 [0,1,0,0,0,0|2,0,1]=4 159 B13R1.14 O=C(CO)NCC1=CC=C(C=C1)Cl Z199532110 [0,1,0,0,0,0|2,0,1]=4 160 B13R1.14 O=C(CO)NCC1=CC=C(C=C1)F Z431953222 [0,1,0,0,0,0|2,0,1]=4 161 B13R1.132 C/C(=C\C(=O)O)/C1=CC=C(C=C1)F Z352747294 [0,1,0,0,0,0|1,0,0]=2 162 B13R1.132 CC(=CC(=O)C1=CC=C(C=C1)F)C Z1313486101 [0,1,0,0,0,0|3,0,0]=4 163 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Br Z56941083 [0,1,0,0,0,0|2,0,1]=4 164 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)C Z56941082 [0,1,0,0,0,0|2,0,1]=4 165 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl Z56876401 [0,1,0,0,0,0|2,0,1]=4 166 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)F Z56911911 [0,1,0,0,0,0|2,0,1]=4 167 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br Z1269234118 [0,1,0,0,0,0|1,0,2]=4 168 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)F Z352782250 [0,1,0,0,0,0|1,0,2]=4 169 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)N Z1262514048 [0,1,0,0,0,0|1,0,2]=4 170 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O Z352782406 [0,1,0,0,0,0|1,0,2]=4 171 B13R1.132 CC1=CC=C(C=C1)C(N)CC(=O)O Z56912034 [0,1,0,0,0,0|1,0,2]=4 172 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br Z147647162 [0,1,0,0,0,0|1,0,2]=4 173 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Cl Z56899122 [0,1,0,0,0,0|1,0,2]=4 174 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)F Z56921163 [0,1,0,0,0,0|1,0,2]=4 175 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Br Z1696824108 [0,1,0,0,0,0|1,0,2]=4 176 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)F Z4935533100 [0,1,0,0,0,0|1,0,2]=4 177 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)Cl Z982132070 [0,1,0,0,0,0|1,0,2]=4 178 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)F Z982132094 [0,1,0,0,0,0|1,0,2]=4 179 B13R1.132 O=C(O)CS(=O)C1=CC=C(C=C1)Cl Z802568764 [0,1,0,0,0,0|2,0,1]=4 180 B13R1.133 C/C(=C\C1=CC=C(C=C1)F)/C(=O)O Z1350606414 [0,1,0,0,0,0|1,0,0]=2 181 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)O Z513659390 [0,1,0,0,0,0|1,0,2]=4 182 B13R1.133 CC(CC1=CC=C(C=C1)Cl)C(=O)O Z513659166 [0,1,0,0,0,0|1,0,2]=4 183 B13R1.133 CC(CC1=CC=C(C=C1)F)C(=O)O Z513658938 [0,1,0,0,0,0|1,0,2]=4 184 B13R1.133 CC(CC1=CC=C(C=C1)N)C(=O)O Z1262515083 [0,1,0,0,0,0|1,0,2]=4 185 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O Z56347385 [0,1,0,0,0,0|2,0,1]=4 186 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O Z56922097 [0,1,0,0,0,0|2,0,1]=4 187 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O Z90662162 [0,1,0,0,0,0|2,0,1]=4 188 B13R1.133 CC(OC1=CC=C(C=C1)O)C(=O)N Z381414584 [0,1,0,0,0,0|2,0,1]=4 189 B13R1.133 CC(SC1=CC=C(C=C1)Br)C(=O)O Z56278798 [0,1,0,0,0,0|2,0,1]=4 190 B13R1.133 CC(SC1=CC=C(C=C1)Cl)C(=O)O Z55179957 [0,1,0,0,0,0|2,0,1]=4 191 B13R1.133 CC(SC1=CC=C(C=C1)F)C(=O)O Z56279369 [0,1,0,0,0,0|2,0,1]=4 192 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O Z271004544 [0,1,0,0,0,0|1,0,1]=3 193 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O Z513658700 [0,1,0,0,0,0|1,0,2]=4 194 B13R1.133 CC1=CC=C(C=C1)NC(=O)C(=O)O Z57984667 [0,1,0,0,0,0|2,0,0]=3 195 B13R1.133 CC1=CC=C(C=C1)OC(C)C(=O)O Z56915889 [0,1,0,0,0,0|2,0,1]=4 196 B13R1.133 CC1=CC=C(C=C1)SC(C)C(=O)O Z56278800 [0,1,0,0,0,0|2,0,1]=4 197 B13R1.133 C[C@H](OC1=CC=C(C=C1)Cl)C(=O)O Z1508916088 [0,1,0,0,0,0|2,0,1]=4 198 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O Z3211890270 [0,1,0,0,0,0|1,0,2]=4 199 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O Z317024982 [0,1,0,0,0,0|1,0,2]=4 200 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O Z57969728 [0,1,0,0,0,0|1,0,2]=4 201 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O Z1263631851 [0,1,0,0,0,0|1,0,2]=4 202 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O Z57127380 [0,1,0,0,0,0|0,0,2]=3 203 B13R1.133 NC(CC1=CN=C(C=C1)O)C(=O)O Z3543676837 [0,1,0,0,0,0|1,0,2]=4 204 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O Z995228058 [0,1,0,0,0,0|1,0,2]=4 205 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O Z1269142887 [0,1,0,0,0,0|1,0,2]=4 206 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O Z756440046 [0,1,0,0,0,0|0,0,2]=3 207 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O Z995228428 [0,1,0,0,0,0|1,0,2]=4 208 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O Z995228438 [0,1,0,0,0,0|1,0,2]=4 209 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O Z1269112635 [0,1,0,0,0,0|1,0,2]=4 210 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O Z969739284 [0,1,0,0,0,0|0,0,2]=3 211 B13R1.133 O=C(O)C(=O)NC1=CC=C(C=C1)Cl Z90122505 [0,1,0,0,0,0|2,0,0]=3 212 B13R1.133 O=C(O)C(Br)CC1=CC=C(C=C1)F Z57388220 [0,1,0,0,0,0|1,0,2]=4 213 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)F Z1255373692 [0,1,0,0,0,0|1,0,2]=4 214 B13R1.164 CC1=C(C=CC(=C1)Br)NCC(=O)O Z359505880 [0,1,0,0,0,0|2,0,1]=4 215 B13R1.164 CC1=C(C=CC(=C1)Br)SCC(=O)O Z56790608 [0,1,0,0,0,0|2,0,1]=4 216 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)O Z56824184 [0,1,0,0,0,0|2,0,1]=4 217 B13R1.164 CC1=C(C=CC(=C1)F)CCC(=O)O Z959351776 [0,1,0,0,0,0|1,0,2]=4 218 B13R1.164 CC1=C(C=CC(=N1)N)/C=C/C(=O)O Z1431903363 [0,1,0,0,0,0|2,0,0]=3 219 B13R1.164 CC1=CC(=C(C=C1)/C=C/C(=O)O)Br Z57033999 [0,1,0,0,0,0|1,0,0]=2 220 B13R1.164 CC1=CC(=C(C=C1)/C=C/C(=O)O)C Z2312274886 [0,1,0,0,0,0|1,0,0]=2 221 B13R1.164 CC1=CC(=C(C=C1)CCC(=O)O)Br Z1269174749 [0,1,0,0,0,0|1,0,2]=4 222 B13R1.164 CC1=CC(=C(C=C1)CCC(=O)O)C Z203050914 [0,1,0,0,0,0|1,0,2]=4 223 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)O)Br Z57203202 [0,1,0,0,0,0|2,0,1]=4 224 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)O)C Z57041994 [0,1,0,0,0,0|2,0,1]=4 225 B13R1.164 CC1=CC(=C(C=C1)SCC(=O)O)C Z55903769 [0,1,0,0,0,0|2,0,1]=4 226 B13R1.164 CC1=NC=C(C(=O)N1)/C=C/C(=O)O Z2750451046 [0,1,0,0,0,0|3,0,0]=4 227 B13R1.164 O=C(O)/C=C/C1=C(N=C(C=C1)Cl)Cl Z2750454499 [0,1,0,0,0,0|2,0,0]=3 228 B13R1.164 O=C(O)/C=C/C1=CNC(=O)NC1=O Z1198156999 [0,1,0,0,0,0|2,0,1]=4 229 B13R1.164 O=C(O)C#CC1=C(C=C(C=C1)F)F Z1143242500 [0,1,0,0,0,0|1,0,2]=4 230 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Br)F Z405046664 [0,1,0,0,0,0|1,0,2]=4 231 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)Br Z1269115792 [0,1,0,0,0,0|1,0,2]=4 232 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)Cl Z314668406 [0,1,0,0,0,0|1,0,2]=4 233 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)F Z1269172595 [0,1,0,0,0,0|1,0,2]=4 234 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)F)Br Z426022210 [0,1,0,0,0,0|1,0,2]=4 235 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)F)Cl Z426022268 [0,1,0,0,0,0|1,0,2]=4 236 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)F)F Z317037934 [0,1,0,0,0,0|1,0,2]=4 237 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Br)Cl Z57050133 [0,1,0,0,0,0|2,0,1]=4 238 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Br)F Z56923270 [0,1,0,0,0,0|2,0,1]=4 239 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)Br Z56924479 [0,1,0,0,0,0|2,0,1]=4 240 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)Cl Z56771026 [0,1,0,0,0,0|2,0,1]=4 241 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)F Z1416161884 [0,1,0,0,0,0|2,0,1]=4 242 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)Br Z56923211 [0,1,0,0,0,0|2,0,1]=4 243 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)Cl Z65572085 [0,1,0,0,0,0|2,0,1]=4 244 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)F Z239874904 [0,1,0,0,0,0|2,0,1]=4 245 B13R1.164 O=C(O)COC1=C(C=C(C=C1)I)Br Z5018658198 [0,1,0,0,0,0|2,0,1]=4 246 B13R1.164 O=C(O)CSC1=C(C=C(C=C1)Cl)Cl Z1269124447 [0,1,0,0,0,0|2,0,1]=4 247 B13R1.164 O=C(O)CSC1=C(C=C(C=C1)F)F Z92456882 [0,1,0,0,0,0|2,0,1]=4 248 B13R1.164 O=[N+]([O-])/C=C/C1=C(C=C(C=C1)F)F Z838174058 [0,1,0,0,0,0|2,0,1]=4 249 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)O)F Z1083021660 [0,1,0,0,0,0|1,0,2]=4 250 B13R1.511 CC1=C(C=C(C=C1)/C=C/C(=O)O)Cl Z2417572386 [0,1,0,0,0,0|1,0,0]=2 251 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)C Z445853388 [0,1,0,0,0,0|1,0,2]=4 252 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Cl Z185153284 [0,1,0,0,0,0|1,0,2]=4 253 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)O)C Z56820874 [0,1,0,0,0,0|2,0,1]=4 254 B13R1.511 CC1=C(C=C(C=C1)SCC(=O)O)C Z55903758 [0,1,0,0,0,0|2,0,1]=4 255 B13R1.511 CC1=C(C=CC(=C1)/C=C/C(=O)O)Br Z1269121998 [0,1,0,0,0,0|1,0,0]=2 256 B13R1.511 CC1=C(C=CC(=C1)/C=C/C(=O)O)F Z2311791362 [0,1,0,0,0,0|1,0,0]=2 257 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)O)Br Z1269176292 [0,1,0,0,0,0|1,0,2]=4 258 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Br Z57204188 [0,1,0,0,0,0|2,0,1]=4 259 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Cl Z56823032 [0,1,0,0,0,0|2,0,1]=4 260 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)F Z1262524725 [0,1,0,0,0,0|2,0,1]=4 261 B13R1.511 CC1=C(N=CC(=C1)/C=C/C(=O)O)N Z1483991924 [0,1,0,0,0,0|2,0,0]=3 262 B13R1.511 NC(=O)NCC1=CC(=C(C=C1)O)F Z1244088772 [0,1,0,0,0,0|2,0,1]=4 263 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)Br)Cl Z2942851660 [0,1,0,0,0,0|1,0,0]=2 264 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)Cl)Cl Z56895731 [0,1,0,0,0,0|1,0,0]=2 265 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)F)Cl Z2942852367 [0,1,0,0,0,0|1,0,0]=2 266 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)F)F Z2942853625 [0,1,0,0,0,0|1,0,0]=2 267 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)O)O Z240113804 [0,1,0,0,0,0|0,0,0]=1 268 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Br)Cl Z57039611 [0,1,0,0,0,0|1,0,2]=4 269 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)Cl Z237515176 [0,1,0,0,0,0|1,0,2]=4 270 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)F Z838969840 [0,1,0,0,0,0|1,0,2]=4 271 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)O)Cl Z839165388 [0,1,0,0,0,0|0,0,2]=3 272 B13R1.511 O=C(O)COC1=CC(=C(C=C1)Cl)Cl Z65558737 [0,1,0,0,0,0|2,0,1]=4 273 B13R1.511 O=C(O)COC1=CC(=C(C=C1)Cl)F Z1486018170 [0,1,0,0,0,0|2,0,1]=4 274 B13R1.511 O=C(O)COC1=CC(=C(C=C1)F)Cl Z65577990 [0,1,0,0,0,0|2,0,1]=4 275 B13R1.511 O=C(O)COC1=CC(=C(C=C1)F)F Z228583518 [0,1,0,0,0,0|2,0,1]=4 276 B13R1.511 O=C(O)CSC1=CC(=C(C=C1)F)F Z92655191 [0,1,0,0,0,0|2,0,1]=4 277 B13R1.512 CC1=CC=C(C=C1)/C=C/S(=O)(=O)F Z2289722684 [0,1,0,0,0,0|2,0,1]=4 278 B13R1.512 NS(=O)(=O)/C=C/C1=CC=C(C=C1)F Z431513220 [0,1,0,0,0,0|2,0,1]=4 279 B13R1.512 O=S(=O)(F)/C=C/C1=CC=C(C=C1)Cl Z2568739587 [0,1,0,0,0,0|2,0,1]=4 280 B13R1.512 O=S(=O)(F)/C=C/C1=CC=C(C=C1)F Z2512959244 [0,1,0,0,0,0|2,0,1]=4 281 B13R2.155 CC1=CC2=C(C=C1)C=CC(=C2)O Z1198184356 [0,0,0,1,0,0|2,0,0]=3 282 B13R2.155 CC1=CC2=C(C=C1)C=CC(=N2)O Z3300711621 [0,0,0,1,0,0|2,0,0]=3 283 B13R2.155 CC1=CC2=C(C=CC(=C2)O)N=C1 Z5038876053 [0,0,0,1,0,0|3,0,0]=4 284 B13R2.155 CC1=NC2=C(C=CC(=C2)Br)C=C1 Z1269239412 [0,0,0,1,0,0|3,0,0]=4 285 B13R2.155 CC1=NC2=C(C=CC(=C2)Cl)C=C1 Z235542858 [0,0,0,1,0,0|3,0,0]=4 286 B13R2.155 CC1=NC2=C(C=CC(=O)N2)C=C1 Z3300506109 [0,0,0,1,0,0|3,0,0]=4 287 B13R2.155 CC1=NC=C2C=CC(=CC2=C1)O Z5244902488 [0,0,0,1,0,0|3,0,0]=4 288 B13R2.155 ClC1=CC2=C(C=C1)C=CC(=C2)Br Z1269192728 [0,0,0,1,0,0|3,0,0]=4 289 B13R2.155 FC1=CC2=C(C=C1)C=CC(=N2)Cl Z1198218564 [0,0,0,1,0,0|3,0,0]=4 290 B13R2.155 NC1=NC2=C(C=CC(=C2)Cl)C=C1 Z1255380140 [0,0,0,1,0,0|3,0,0]=4 291 B13R2.155 O=C1C=CC2=C(N1)C=C(C=C2)Cl Z2010010271 [0,0,0,1,0,0|2,0,0]=3 292 B13R2.155 O=C1C=CC2=C(N1)C=C(C=C2)O Z1198164610 [0,0,0,1,0,0|1,0,0]=2 293 B13R2.155 O=C1C=CC2=C(O1)C=C(C=C2)O Z57150899 [0,0,0,1,0,0|0,0,0]=1 294 B13R2.155 O=C1C=NC2=C(N1)C=C(C=C2)Cl Z1198224613 [0,0,0,1,0,0|3,0,0]=4 295 B13R2.155 O=C1CCC2=C(N1)C=C(C=C2)O Z1255450792 [0,0,0,1,0,0|1,0,2]=4 296 B13R2.155 O=C1COC2=C(N1)C=C(C=C2)O Z1255458499 [0,0,0,1,0,0|2,0,1]=4 297 B13R2.155 O=C1NCC2=C(O1)C=C(C=C2)Br Z2751295691 [0,0,0,1,0,0|2,0,1]=4 298 B13R2.155 O=C1NCC2=C(O1)C=C(C=C2)O Z2963142130 [0,0,0,1,0,0|1,0,1]=3 299 B13R2.155 OC1=CC2=C(C=C1)C=CC(=C2)O Z104495344 [0,0,0,1,0,0|1,0,0]=2 300 B13R2.155 OC1=CC2=C(C=C1)N=CC(=C2)Br Z1269182939 [0,0,0,1,0,0|3,0,0]=4 301 B13R2.155 OC1=CC2=C(C=C1)N=CC(=C2)I Z1269226225 [0,0,0,1,0,0|3,0,0]=4 302 B13R2.155 OC1=CC2=C(C=CC(=C2)Br)N=C1 Z1267861251 [0,0,0,1,0,0|3,0,0]=4 303 B13R2.155 OC1=CC2=C(C=CC(=C2)Cl)N=C1 Z1255461011 [0,0,0,1,0,0|3,0,0]=4 304 B13R2.155 OC1=CC2=C(C=CC(=C2)F)N=C1 Z1255366047 [0,0,0,1,0,0|3,0,0]=4 305 B13R2.3791 NC1=CC2=C(C=C1)C=CS2(=O)=O Z445135574 [0,0,0,1,0,0|2,0,1]=4 306 B13R2.4930 CC1=CC2=C(C=C1)CC2C(=O)O Z2719072266 [0,0,0,1,0,0|1,0,2]=4 307 B13R2.4930 O=C(O)C1CC2=C1C=C(C=C2)Cl Z1262559583 [0,0,0,1,0,0|1,0,2]=4 308 B11R1.20 CC(=O)CC1=CC=C(C=C1)F Z329711590 [0,0,0,0,1,0|2,0,1]=4 309 B11R1.20 CC(=O)NC1=CC=C(C=C1)C Z28134680 [0,0,0,0,1,0|3,0,0]=4 310 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl Z28161730 [0,0,0,0,1,0|3,0,0]=4 311 B11R1.20 CC(=O)NC1=CC=C(C=C1)F Z27805821 [0,0,0,0,1,0|3,0,0]=4 312 B11R1.20 CC(=O)NC1=CC=C(C=C1)I Z30316374 [0,0,0,0,1,0|3,0,0]=4 313 B11R1.20 CC(=O)NC1=CC=C(C=C1)N Z56926521 [0,0,0,0,1,0|3,0,0]=4 314 B11R1.20 CC(=O)NC1=CC=C(C=C1)O Z56946051 [0,0,0,0,1,0|2,0,0]=3 315 B11R1.20 CC(=O)NC1=CC=C(C=C1)S Z104484984 [0,0,0,0,1,0|2,1,0]=4 316 B11R1.20 CC(=O)OC1=CC=C(C=C1)O Z1198155166 [0,0,0,0,1,0|2,0,0]=3 317 B11R1.20 CC1=CC=C(C=C1)CC(=O)O Z104507548 [0,0,0,0,1,0|1,0,1]=3 318 B11R1.20 CC1=CC=C(C=C1)NC(=O)N Z56754677 [0,0,0,0,1,0|3,0,0]=4 319 B11R1.20 CC1=NC=C(C=C1)CC(=O)O Z424795892 [0,0,0,0,1,0|2,0,1]=4 320 B11R1.20 NC(=O)CC1=CC=C(C=C1)Br Z33546958 [0,0,0,0,1,0|2,0,1]=4 321 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl Z33546677 [0,0,0,0,1,0|2,0,1]=4 322 B11R1.20 NC(=O)CC1=CC=C(C=C1)F Z33546755 [0,0,0,0,1,0|2,0,1]=4 323 B11R1.20 NC(=O)CC1=CC=C(C=C1)N Z234895133 [0,0,0,0,1,0|2,0,1]=4 324 B11R1.20 NC(=O)NC1=CC=C(C=C1)Br Z89283357 [0,0,0,0,1,0|3,0,0]=4 325 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl Z56754682 [0,0,0,0,1,0|3,0,0]=4 326 B11R1.20 NC(=O)NC1=CC=C(C=C1)F Z166687094 [0,0,0,0,1,0|3,0,0]=4 327 B11R1.20 NC(=O)NC1=CC=C(C=C1)I Z56754684 [0,0,0,0,1,0|3,0,0]=4 328 B11R1.20 NC(=O)NC1=CC=C(C=C1)N Z239123648 [0,0,0,0,1,0|3,0,0]=4 329 B11R1.20 NC1=CC=C(C=C1)CC(=O)O Z104481066 [0,0,0,0,1,0|1,0,1]=3 330 B11R1.20 O=C(Cl)CC1=CC=C(C=C1)Cl Z217293314 [0,0,0,0,1,0|2,0,1]=4 331 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br Z90121253 [0,0,0,0,1,0|1,0,1]=3 332 B11R1.20 O=C(O)CC1=CC=C(C=C1)Cl Z104477676 [0,0,0,0,1,0|1,0,1]=3 333 B11R1.20 O=C(O)CC1=CC=C(C=C1)F Z104477312 [0,0,0,0,1,0|1,0,1]=3 334 B11R1.20 O=C(O)CC1=CN=C(C=C1)Cl Z1165304038 [0,0,0,0,1,0|2,0,1]=4 335 B11R1.20 O=C(O)CC1=CNC(=O)C=C1 Z1198338224 [0,0,0,0,1,0|1,0,2]=4 336 B11R1.20 O=C(O)CC1=NC=C(C=C1)F Z1945984141 [0,0,0,0,1,0|2,0,1]=4 337 B11R1.75 CC1=CC=C(O1)/C=C/C(=O)O Z2942851432 [0,0,0,0,1,0|2,0,0]=3 338 B11R1.75 CC1=CC=C(S1)/C=C/C(=O)O Z2942853021 [0,0,0,0,1,0|2,0,0]=3 339 B11R1.75 CC1=CNC(=N1)/C=C/C(=O)O Z3176838357 [0,0,0,0,1,0|3,0,0]=4 340 B11R1.75 CC1=COC(=N1)/C=C/C(=O)O Z2647255776 [0,0,0,0,1,0|3,0,0]=4 341 B11R1.75 CC1=CSC(=N1)/C=C/C(=O)O Z2607857390 [0,0,0,0,1,0|3,0,0]=4 342 B11R1.75 CC1=NC(=CS1)/C=C/C(=O)O Z221577240 [0,0,0,0,1,0|3,0,0]=4 343 B11R1.75 CN1C=C(C=N1)/C=C/C(=O)O Z2315576000 [0,0,0,0,1,0|3,0,0]=4 344 B11R1.75 CN1C=CC(=C1)/C=C/C(=O)O Z2607872285 [0,0,0,0,1,0|2,0,0]=3 345 B11R1.75 CN1C=NC(=C1)/C=C/C(=O)O Z2899547663 [0,0,0,0,1,0|3,0,0]=4 346 B11R1.75 O=C(O)/C=C/C1=CC(=CS1)Br Z2312944403 [0,0,0,0,1,0|2,0,0]=3 347 B11R1.75 O=C(O)/C=C/C1=CC=C(O1)Br Z2573652730 [0,0,0,0,1,0|2,0,0]=3 348 B11R1.75 O=C(O)/C=C/C1=CC=C(O1)Cl Z119989854 [0,0,0,0,1,0|2,0,0]=3 349 B11R1.75 O=C(O)/C=C/C1=CC=C(O1)I Z56792403 [0,0,0,0,1,0|2,0,0]=3 350 B11R1.75 O=C(O)/C=C/C1=CC=C(S1)Br Z2315579743 [0,0,0,0,1,0|2,0,0]=3 351 B11R1.75 O=C(O)/C=C/C1=CC=C(S1)Cl Z221300456 [0,0,0,0,1,0|2,0,0]=3 352 B11R1.75 O=C(O)/C=C/C1=CSC(=C1)Br Z2942853365 [0,0,0,0,1,0|2,0,0]=3 353 B13R1.513 CC1=CC=C(C=C1)/C=C/CC(=O)O Z1374884612 [0,0,0,0,0,1|1,0,0]=2 354 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O Z336127890 [0,0,0,0,0,1|1,0,2]=4 355 B13R1.513 CC1=CC=C(C=C1)CNCC(=O)O Z359506420 [0,0,0,0,0,1|1,0,2]=4 356 B13R1.513 CC1=CC=C(C=C1)COCC(=O)O Z2630879936 [0,0,0,0,0,1|1,0,2]=4 357 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)O Z19691181 [0,0,0,0,0,1|1,0,2]=4 358 B13R1.513 CC1=CC=C(C=C1)NCCC(=O)O Z56886521 [0,0,0,0,0,1|1,0,2]=4 359 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)O Z56805738 [0,0,0,0,0,1|1,0,2]=4 360 B13R1.513 CC1=CC=C(C=C1)SCCC(=O)O Z56813260 [0,0,0,0,0,1|1,0,2]=4 361 B13R1.513 NC1=CC=C(C=C1)CCCC(=O)O Z336079594 [0,0,0,0,0,1|1,0,2]=4 362 B13R1.513 NC1=CC=C(C=C1)OCCC(=O)O Z1259335771 [0,0,0,0,0,1|1,0,2]=4 363 B13R1.513 O=C(O)C/C=C/C1=CC=C(C=C1)Br Z2939850891 [0,0,0,0,0,1|1,0,0]=2 364 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br Z336286028 [0,0,0,0,0,1|1,0,2]=4 365 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl Z336286026 [0,0,0,0,0,1|1,0,2]=4 366 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)F Z336285992 [0,0,0,0,0,1|1,0,2]=4 367 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)O Z1201617656 [0,0,0,0,0,1|0,0,2]=3 368 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Br Z240085156 [0,0,0,0,0,1|1,0,2]=4 369 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Cl Z57229608 [0,0,0,0,0,1|1,0,2]=4 370 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)F Z240085178 [0,0,0,0,0,1|1,0,2]=4 371 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Br Z102925164 [0,0,0,0,0,1|1,0,2]=4 372 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl Z56812813 [0,0,0,0,0,1|1,0,2]=4 373 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)F Z90123554 [0,0,0,0,0,1|1,0,2]=4 374 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)Cl Z1259339984 [0,0,0,0,0,1|1,0,2]=4 375 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)F Z818727022 [0,0,0,0,0,1|1,0,2]=4 376 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)Br Z19691780 [0,0,0,0,0,1|1,0,2]=4 377 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)Cl Z19691775 [0,0,0,0,0,1|1,0,2]=4 378 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)F Z19691787 [0,0,0,0,0,1|1,0,2]=4 379 B10R1.1 CC1=CC=C(C=C1)/C=N/O Z49568558 [2,0,0,0,0,0|2,0,0]=4 380 B10R1.1 CC1=CC=C(C=C1)CC=O Z993017610 [2,0,0,0,0,0|1,0,1]=4 381 B10R1.1 O/N=C/C1=CC=C(C=C1)Br Z49568330 [2,0,0,0,0,0|2,0,0]=4 382 B10R1.1 O/N=C/C1=CC=C(C=C1)Cl Z49568332 [2,0,0,0,0,0|2,0,0]=4 383 B10R1.1 O/N=C/C1=CC=C(C=C1)F Z49568341 [2,0,0,0,0,0|2,0,0]=4 384 B10R1.1 O/N=C/C1=CC=C(C=C1)O Z49568314 [2,0,0,0,0,0|1,0,0]=3 385 B10R1.1 O=CCC1=CC=C(C=C1)Br Z1079442512 [2,0,0,0,0,0|1,0,1]=4 386 B10R1.1 O=CCC1=CC=C(C=C1)Cl Z993017718 [2,0,0,0,0,0|1,0,1]=4 387 B10R1.1 O=CCC1=CC=C(C=C1)F Z993017752 [2,0,0,0,0,0|1,0,1]=4 388 B10R1.1 O=CNC1=CC=C(C=C1)O Z87002541 [2,0,0,0,0,0|1,0,0]=3 389 B10R1.1 OCCC1=CC=C(C=C1)O Z1250886919 [2,0,0,0,0,0|0,0,2]=4 390 B10R1.17 NC/C=C/C1=CC=CC=C1 Z2953771905 [2,0,0,0,0,0|1,0,1]=4 391 B10R1.17 O=C/C=C/C1=CC=CC=C1 Z3219847383 [2,0,0,0,0,0|0,0,0]=2 392 B10R1.17 O=C/C=C/C1=CC=NC=C1 Z2417822722 [2,0,0,0,0,0|1,0,0]=3 393 B10R1.17 O=C/C=C/C1=NC=CC=C1 Z1255366309 [2,0,0,0,0,0|1,0,0]=3 394 B10R1.17 O=CC#CC1=CC=CC=C1 Z1255485337 [2,0,0,0,0,0|0,0,2]=4 395 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [2,0,0,0,0,0|0,0,2]=4 396 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [2,0,0,0,0,0|1,0,1]=4 397 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [2,0,0,0,0,0|1,0,1]=4 398 B10R1.17 O=CNNC1=CC=CC=C1 Z1198148433 [2,0,0,0,0,0|2,0,0]=4 399 B10R1.17 OC/C=C/C1=CC=CC=C1 Z104473562 [2,0,0,0,0,0|0,0,1]=3 400 B12R1.1 OC1=CC=C(C=C1)SC/C=C/Cl Z733876456 [1,1,0,0,0,0|1,0,1]=4 401 B12R1.16 CC1=CC=C(C=C1)C(=O)/C=C/[O-] Z199534162 [1,1,0,0,0,0|1,0,1]=4 402 B12R1.16 O=C(/C=C/[O-])C1=CC=C(C=C1)Cl Z56943452 [1,1,0,0,0,0|1,0,1]=4 403 B12R1.49 C/C(=C\C1=CC=C(C=C1)Cl)/C=O Z1251359146 [1,1,0,0,0,0|1,0,0]=3 404 B12R1.49 O=C(CC1=CC=C(C=C1)O)NO Z135512374 [1,1,0,0,0,0|1,0,1]=4 405 B12R1.69 O=C/C=C/C1=C(C=C(C=C1)F)F Z1198173301 [1,1,0,0,0,0|1,0,0]=3 406 B12R1.71 CCC1=CC=C(C=C1)/C=C/CO Z1913661008 [1,1,0,0,0,0|1,0,1]=4 407 B12R1.71 COC1=CC=C(C=C1)CCC=O Z1079442590 [1,1,0,0,0,0|0,0,2]=4 408 B12R1.71 COC1=CC=C(C=C1)SCC=O Z854102788 [1,1,0,0,0,0|1,0,1]=4 409 B12R1.71 N#CC1=CC=C(C=C1)/C=C/C=O Z2240804591 [1,1,0,0,0,0|1,0,0]=3 410 B12R1.385 O=C/C=C/C1=CC(=C(C=C1)Cl)Cl Z1269224361 [1,1,0,0,0,0|1,0,0]=3 411 B12R1.385 O=C/C=C/C1=CC(=C(C=C1)F)F Z1255405037 [1,1,0,0,0,0|1,0,0]=3 412 B12R1.385 OC/C=C/C1=CC(=C(C=C1)Cl)Cl Z1269240197 [1,1,0,0,0,0|1,0,1]=4 413 B12R1.27 COC(=O)/C=C/C1=CC=CC=C1 Z19782655 [1,1,0,0,0,0|0,0,0]=2 414 B12R1.27 COC(=O)/C=C/C1=CC=NC=C1 Z3226989482 [1,1,0,0,0,0|1,0,0]=3 415 B12R1.27 COC(=O)/C=C/C1=CN=CN=C1 Z2177030874 [1,1,0,0,0,0|2,0,0]=4 416 B12R1.27 COC(=O)/C=C/C1=NC=NC=C1 Z2637047870 [1,1,0,0,0,0|2,0,0]=4 417 B12R1.27 COC(=O)CCC1=CC=CC=C1 Z18264384 [1,1,0,0,0,0|0,0,2]=4 418 B12R1.27 COC(=O)CNC1=CC=CC=C1 Z1250132387 [1,1,0,0,0,0|1,0,1]=4 419 B12R1.27 COC(=O)NNC1=CC=CC=C1 Z56755853 [1,1,0,0,0,0|2,0,0]=4 420 B12R1.27 O=C(CO)NCC1=CC=CC=C1 Z228585446 [1,1,0,0,0,0|1,0,1]=4 421 B12R1.43 C/C(=C\C1=CC=CC=C1)/C(=O)O Z2980228149 [1,1,0,0,0,0|0,0,0]=2 422 B12R1.43 C/C(=C\C1=CC=NC=C1)/C(=O)O Z2466682039 [1,1,0,0,0,0|1,0,0]=3 423 B12R1.43 C/C(=C\C1=CN=CC=C1)/C(=O)O Z2467131746 [1,1,0,0,0,0|1,0,0]=3 424 B12R1.43 C/C(=C\C1=NC=CC=C1)/C(=O)O Z2467234655 [1,1,0,0,0,0|1,0,0]=3 425 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [1,1,0,0,0,0|0,0,2]=4 426 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O Z57982184 [1,1,0,0,0,0|1,0,1]=4 427 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O Z57825333 [1,1,0,0,0,0|1,0,1]=4 428 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O Z90122656 [1,1,0,0,0,0|1,0,1]=4 429 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [1,1,0,0,0,0|0,0,2]=4 430 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [1,1,0,0,0,0|0,0,2]=4 431 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [1,1,0,0,0,0|0,0,2]=4 432 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [1,1,0,0,0,0|0,0,2]=4 433 B12R1.43 O=C(O)/C(=C/C1=CN=CC=C1)/F Z2081677235 [1,1,0,0,0,0|1,0,0]=3 434 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 Z285151774 [1,1,0,0,0,0|0,0,1]=3 435 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 Z362848468 [1,1,0,0,0,0|1,0,0]=3 436 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [1,1,0,0,0,0|0,0,2]=4 437 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [1,1,0,0,0,0|0,0,2]=4 438 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [1,1,0,0,0,0|0,0,2]=4 439 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 Z352748396 [1,1,0,0,0,0|0,0,0]=2 440 B12R1.107 C/C(=C\C(=O)O)/C1=CC=NC=C1 Z352748124 [1,1,0,0,0,0|1,0,0]=3 441 B12R1.107 C/C(=C\C(=O)O)/C1=CN=CC=C1 Z352748104 [1,1,0,0,0,0|1,0,0]=3 442 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 Z56899204 [1,1,0,0,0,0|0,0,2]=4 443 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z1162448842 [1,1,0,0,0,0|1,0,1]=4 444 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 Z94601171 [1,1,0,0,0,0|0,0,2]=4 445 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 Z756925772 [1,1,0,0,0,0|0,0,2]=4 446 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 Z1696091779 [1,1,0,0,0,0|0,0,2]=4 447 B12R1.107 O=C(O)/C=C(\F)/C1=CN=CC=C1 Z4602486084 [1,1,0,0,0,0|1,0,0]=3 448 B12R1.107 O=C(O)/C=C(\I)/C1=CC=CC=C1 Z3379426714 [1,1,0,0,0,0|0,0,0]=2 449 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [1,1,0,0,0,0|0,0,2]=4 450 B12R1.107 O=C(O)NC(=O)C1=CC=CC=C1 Z56928966 [1,1,0,0,0,0|1,0,0]=3 451 B12R1.125 CC(=O)/C=C/C1=C(C=CC=C1)F Z1217226767 [1,1,0,0,0,0|1,0,0]=3 452 B12R1.125 CC1=C(C=CC=C1)/C=C/C(=O)O Z2417574586 [1,1,0,0,0,0|0,0,0]=2 453 B12R1.125 CC1=C(C=CC=C1)CCC(=O)O Z317037960 [1,1,0,0,0,0|0,0,2]=4 454 B12R1.125 CC1=C(C=CC=C1)OCC(=O)O Z56820406 [1,1,0,0,0,0|1,0,1]=4 455 B12R1.125 CC1=C(C=CC=C1)SCC(=O)O Z56870728 [1,1,0,0,0,0|1,0,1]=4 456 B12R1.125 CC1=C(C=CC=N1)/C=C/C(=O)O Z2235790871 [1,1,0,0,0,0|1,0,0]=3 457 B12R1.125 CC1=C(C=CN=C1)/C=C/C(=O)O Z2235790666 [1,1,0,0,0,0|1,0,0]=3 458 B12R1.125 CC1=C(N=CC=C1)/C=C/C(=O)O Z2327040014 [1,1,0,0,0,0|1,0,0]=3 459 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Br Z2315575361 [1,1,0,0,0,0|0,0,0]=2 460 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl Z57264035 [1,1,0,0,0,0|0,0,0]=2 461 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)F Z2573655240 [1,1,0,0,0,0|0,0,0]=2 462 B12R1.125 O=C(O)/C=C/C1=C(N=CC=C1)Br Z1269170340 [1,1,0,0,0,0|1,0,0]=3 463 B12R1.125 O=C(O)/C=C/C1=C(N=CC=C1)Cl Z1201624228 [1,1,0,0,0,0|1,0,0]=3 464 B12R1.125 O=C(O)/C=C/C1=CN=CNC1=O Z2633967605 [1,1,0,0,0,0|2,0,0]=4 465 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Br Z406704244 [1,1,0,0,0,0|0,0,2]=4 466 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl Z56943366 [1,1,0,0,0,0|0,0,2]=4 467 B12R1.125 O=C(O)CCC1=C(C=CC=C1)F Z57991059 [1,1,0,0,0,0|0,0,2]=4 468 B12R1.125 O=C(O)CCC1=C(C=CC=C1)O Z56347225 [1,1,0,0,0,0|0,0,2]=4 469 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl Z274534698 [1,1,0,0,0,0|1,0,1]=4 470 B12R1.125 O=C(O)COC1=C(C=CC=C1)Br Z111834298 [1,1,0,0,0,0|1,0,1]=4 471 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl Z57042068 [1,1,0,0,0,0|1,0,1]=4 472 B12R1.125 O=C(O)COC1=C(C=CC=C1)F Z56823442 [1,1,0,0,0,0|1,0,1]=4 473 B12R1.125 O=C(O)COC1=C(C=CC=C1)O Z56869464 [1,1,0,0,0,0|1,0,1]=4 474 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Br Z56827233 [1,1,0,0,0,0|1,0,1]=4 475 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Cl Z55903470 [1,1,0,0,0,0|1,0,1]=4 476 B12R1.125 O=C(O)CSC1=C(C=CC=C1)F Z55903942 [1,1,0,0,0,0|1,0,1]=4 477 B12R1.125 O=C(O)CSC1=C(C=CC=C1)O Z905204160 [1,1,0,0,0,0|1,0,1]=4 478 B12R1.226 CC1=CC(=CC=C1)/C=C/C(=O)O Z2942851787 [1,1,0,0,0,0|0,0,0]=2 479 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O Z169993866 [1,1,0,0,0,0|0,0,2]=4 480 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O Z56899056 [1,1,0,0,0,0|1,0,1]=4 481 B12R1.226 CC1=CC(=CC=C1)SCC(=O)O Z778642574 [1,1,0,0,0,0|1,0,1]=4 482 B12R1.226 CC1=CC(=CN=C1)/C=C/C(=O)O Z1473962891 [1,1,0,0,0,0|1,0,0]=3 483 B12R1.226 NC1=CC(=CC=C1)/C=C/C(=O)O Z2942853438 [1,1,0,0,0,0|0,0,0]=2 484 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Br Z2312942093 [1,1,0,0,0,0|0,0,0]=2 485 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Cl Z2573655238 [1,1,0,0,0,0|0,0,0]=2 486 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)F Z2935925467 [1,1,0,0,0,0|0,0,0]=2 487 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)O Z247613734 [1,1,0,0,0,0|0,0,0]=2 488 B12R1.226 O=C(O)/C=C/C1=CC(=CN=C1)F Z2587702979 [1,1,0,0,0,0|1,0,0]=3 489 B12R1.226 O=C(O)/C=C/C1=CC(=CN=C1)O Z1518653071 [1,1,0,0,0,0|1,0,0]=3 490 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)Br Z1269228386 [1,1,0,0,0,0|1,0,0]=3 491 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)Cl Z1255503510 [1,1,0,0,0,0|1,0,0]=3 492 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)O Z2633787192 [1,1,0,0,0,0|1,0,0]=3 493 B12R1.226 O=C(O)/C=C/C1=NC(=CC=C1)Cl Z1255503511 [1,1,0,0,0,0|1,0,0]=3 494 B12R1.226 O=C(O)C#CC1=CC(=CC=C1)Cl Z1143242523 [1,1,0,0,0,0|0,0,2]=4 495 B12R1.226 O=C(O)CCC1=CC(=CC=C1)Br Z56943439 [1,1,0,0,0,0|0,0,2]=4 496 B12R1.226 O=C(O)CCC1=CC(=CC=C1)F Z185153196 [1,1,0,0,0,0|0,0,2]=4 497 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [1,1,0,0,0,0|0,0,2]=4 498 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl Z274534700 [1,1,0,0,0,0|1,0,1]=4 499 B12R1.226 O=C(O)COC1=CC(=CC=C1)Br Z56812737 [1,1,0,0,0,0|1,0,1]=4 500 B12R1.226 O=C(O)COC1=CC(=CC=C1)Cl Z57008935 [1,1,0,0,0,0|1,0,1]=4 501 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Br Z255149890 [1,1,0,0,0,0|1,0,1]=4 502 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Cl Z994465872 [1,1,0,0,0,0|1,0,1]=4 503 B12R1.226 O=C(O)CSC1=CC(=CC=C1)F Z1198220671 [1,1,0,0,0,0|1,0,1]=4 504 B12R1.226 O=C(O)CSC1=CC(=CC=C1)O Z1262555002 [1,1,0,0,0,0|1,0,1]=4 505 B12R1.226 O=[N+]([O-])/C=C/C1=CC(=CC=C1)I Z56757676 [1,1,0,0,0,0|1,0,1]=4 506 B12R1.891 NS(=O)(=O)/C=C/C1=CC=CC=C1 Z45415579 [1,1,0,0,0,0|1,0,1]=4 507 B12R1.891 O=S(=O)(F)/C=C/C1=CC=CC=C1 Z1999520401 [1,1,0,0,0,0|1,0,1]=4 508 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO Z228585230 [0,1,0,0,1,0|2,0,0]=4 509 B12R1.4 CCC1=CC=C(C=C1)CC(=O)O Z274782844 [0,1,0,0,1,0|1,0,1]=4 510 B12R1.4 COC1=CC=C(C=C1)CC(=O)N Z33546648 [0,1,0,0,1,0|1,0,1]=4 511 B12R1.4 COC1=CC=C(C=C1)CC(=O)O Z104476074 [0,1,0,0,1,0|0,0,1]=3 512 B12R1.4 COC1=CC=C(C=C1)NC(=O)C Z28138902 [0,1,0,0,1,0|2,0,0]=4 513 B12R1.4 COC1=CC=C(C=C1)NC(=O)N Z56754681 [0,1,0,0,1,0|2,0,0]=4 514 B12R1.4 COC1=CC=C(C=C1)OC(=O)C Z30195429 [0,1,0,0,1,0|2,0,0]=4 515 B12R1.4 COC1=CN=C(C=C1)CC(=O)O Z1913661249 [0,1,0,0,1,0|1,0,1]=4 516 B12R1.4 CSC1=CC=C(C=C1)CC(=O)O Z1212966448 [0,1,0,0,1,0|0,1,1]=4 517 B12R1.4 N#CC1=CC=C(C=C1)CC(=O)O Z362118788 [0,1,0,0,1,0|1,0,1]=4 518 B12R1.4 O=CC1=CC=C(C=C1)CC(=O)O Z1198269767 [0,1,0,0,1,0|0,0,2]=4 519 B12R1.19 CC(=O)CC1=CC(=C(C=C1)O)Br Z1269192817 [0,1,0,0,1,0|1,0,1]=4 520 B12R1.19 CC(=O)NC1=CC(=C(C=C1)O)F Z1216844087 [0,1,0,0,1,0|2,0,0]=4 521 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)Br Z1269160930 [0,1,0,0,1,0|1,0,1]=4 522 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)C Z56923286 [0,1,0,0,1,0|1,0,1]=4 523 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)Cl Z1198264457 [0,1,0,0,1,0|1,0,1]=4 524 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)O Z1198166108 [0,1,0,0,1,0|1,0,1]=4 525 B12R1.19 CC1=C(C=CC(=C1)CC(=O)O)Br Z1269233833 [0,1,0,0,1,0|1,0,1]=4 526 B12R1.19 CC1=C(C=CC(=C1)CC(=O)O)O Z1198169209 [0,1,0,0,1,0|0,0,1]=3 527 B12R1.19 O=C(O)CC1=CC(=C(C=C1)Br)Br Z1269150510 [0,1,0,0,1,0|1,0,1]=4 528 B12R1.19 O=C(O)CC1=CC(=C(C=C1)Br)Cl Z1269109822 [0,1,0,0,1,0|1,0,1]=4 529 B12R1.19 O=C(O)CC1=CC(=C(C=C1)Br)F Z1269111454 [0,1,0,0,1,0|1,0,1]=4 530 B12R1.19 O=C(O)CC1=CC(=C(C=C1)Cl)Br Z1269184545 [0,1,0,0,1,0|1,0,1]=4 531 B12R1.19 O=C(O)CC1=CC(=C(C=C1)Cl)Cl Z104476066 [0,1,0,0,1,0|1,0,1]=4 532 B12R1.19 O=C(O)CC1=CC(=C(C=C1)F)Br Z285131564 [0,1,0,0,1,0|1,0,1]=4 533 B12R1.19 O=C(O)CC1=CC(=C(C=C1)F)Cl Z362118814 [0,1,0,0,1,0|1,0,1]=4 534 B12R1.19 O=C(O)CC1=CC(=C(C=C1)F)F Z362118708 [0,1,0,0,1,0|1,0,1]=4 535 B12R1.19 O=C(O)CC1=CC(=C(C=C1)I)Br Z1269147843 [0,1,0,0,1,0|1,0,1]=4 536 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)Cl Z1205411134 [0,1,0,0,1,0|0,0,1]=3 537 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)F Z1255445925 [0,1,0,0,1,0|0,0,1]=3 538 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)O Z1255438427 [0,1,0,0,1,0|0,0,1]=3 539 B12R1.20 C=C(C(=O)O)C1=CC=C(C=C1)Cl Z1255421681 [0,1,0,0,1,0|1,0,0]=3 540 B12R1.20 C=C(C)C(=O)C1=CC=C(C=C1)O Z1513599636 [0,1,0,0,1,0|2,0,0]=4 541 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)O Z335806634 [0,1,0,0,1,0|2,0,0]=4 542 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)Br Z1259342200 [0,1,0,0,1,0|1,0,1]=4 543 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)Cl Z982129848 [0,1,0,0,1,0|1,0,1]=4 544 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F Z792377290 [0,1,0,0,1,0|1,0,1]=4 545 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)I Z1269218602 [0,1,0,0,1,0|1,0,1]=4 546 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)N Z2935001159 [0,1,0,0,1,0|1,0,1]=4 547 B12R1.20 CC1=CC=C(C=C1)C(=O)C(=O)O Z118430526 [0,1,0,0,1,0|1,0,0]=3 548 B12R1.20 CC1=CC=C(C=C1)C(C)C(=O)O Z792377274 [0,1,0,0,1,0|1,0,1]=4 549 B12R1.20 CC1=CC=C(C=C1)C(N)C(=O)O Z317024662 [0,1,0,0,1,0|1,0,1]=4 550 B12R1.20 CN(C(=O)N)C1=CC=C(C=C1)O Z285211056 [0,1,0,0,1,0|2,0,0]=4 551 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Br Z317024668 [0,1,0,0,1,0|1,0,1]=4 552 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Cl Z317024646 [0,1,0,0,1,0|1,0,1]=4 553 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)F Z317024670 [0,1,0,0,1,0|1,0,1]=4 554 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(C=C1)O Z1198149764 [0,1,0,0,1,0|0,0,1]=3 555 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)F Z1255390982 [0,1,0,0,1,0|1,0,1]=4 556 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)O Z1255364887 [0,1,0,0,1,0|0,0,1]=3 557 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)Cl Z381360896 [0,1,0,0,1,0|1,0,0]=3 558 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)F Z381360860 [0,1,0,0,1,0|1,0,0]=3 559 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)O Z2472464309 [0,1,0,0,1,0|0,0,0]=2 560 B12R1.20 O=C(O)C(F)C1=CC=C(C=C1)F Z1318255176 [0,1,0,0,1,0|1,0,1]=4 561 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Br Z788000726 [0,1,0,0,1,0|1,0,1]=4 562 B12R1.233 CC1=C(C=CC(=C1)Br)CC(=O)O Z1269213926 [0,1,0,0,1,0|1,0,1]=4 563 B12R1.233 CC1=C(C=CC(=C1)F)CC(=O)O Z982130478 [0,1,0,0,1,0|1,0,1]=4 564 B12R1.233 CC1=CC(=C(C=C1)CC(=O)O)Br Z1269232519 [0,1,0,0,1,0|1,0,1]=4 565 B12R1.233 NC1=CC(=C(C=C1)CC(=O)O)F Z1198183551 [0,1,0,0,1,0|1,0,1]=4 566 B12R1.233 O=C(O)CC1=C(C=C(C=C1)Br)Cl Z1269137680 [0,1,0,0,1,0|1,0,1]=4 567 B12R1.233 O=C(O)CC1=C(C=C(C=C1)Br)I Z1269231484 [0,1,0,0,1,0|1,0,1]=4 568 B12R1.233 O=C(O)CC1=C(C=C(C=C1)Br)O Z1269204929 [0,1,0,0,1,0|1,0,1]=4 569 B12R1.233 O=C(O)CC1=C(C=C(C=C1)Cl)Br Z1187934893 [0,1,0,0,1,0|1,0,1]=4 570 B12R1.233 O=C(O)CC1=C(C=C(C=C1)Cl)Cl Z104477206 [0,1,0,0,1,0|1,0,1]=4 571 B12R1.233 O=C(O)CC1=C(C=C(C=C1)F)Br Z285184632 [0,1,0,0,1,0|1,0,1]=4 572 B12R1.233 O=C(O)CC1=C(C=C(C=C1)F)Cl Z285184620 [0,1,0,0,1,0|1,0,1]=4 573 B12R1.233 O=C(O)CC1=C(C=C(C=C1)F)F Z362118706 [0,1,0,0,1,0|1,0,1]=4 574 B12R1.233 O=C(O)CC1=C(C=C(C=C1)O)Cl Z1198307592 [0,1,0,0,1,0|0,0,1]=3 575 B12R1.26 COC(=O)/C=C/C1=CC=C(O1)Br Z2738358060 [0,1,0,0,1,0|2,0,0]=4 576 B12R1.59 CCC1=CC=C(O1)/C=C/C(=O)O Z2942852144 [0,1,0,0,1,0|2,0,0]=4 577 B12R1.59 CSC1=CC=C(S1)/C=C/C(=O)O Z1269142141 [0,1,0,0,1,0|1,1,0]=4 578 B12R1.59 O=CC1=CC=C(O1)/C=C/C(=O)O Z1262558763 [0,1,0,0,1,0|1,0,1]=4 579 B14R1.4 COC1=CC=C(C=C1)CCCC(=O)O Z57181981 [0,1,0,0,0,1|0,0,2]=4 580 B14R1.4 COC1=CC=C(C=C1)NCCC(=O)O Z56921145 [0,1,0,0,0,1|0,0,2]=4 581 B14R1.4 COC1=CC=C(C=C1)OCCC(=O)O Z56869407 [0,1,0,0,0,1|0,0,2]=4 582 B14R1.4 COC1=CC=C(C=C1)SCCC(=O)O Z103338270 [0,1,0,0,0,1|0,0,2]=4 583 B14R1.678 CC1=CC=C(C=C1)C(=O)/C=C/C(=O)O Z2768202101 [0,1,0,0,0,1|1,0,0]=3 584 B14R1.678 CC1=CC=C(C=C1)C(=O)CCC(=O)O Z56899081 [0,1,0,0,0,1|1,0,1]=4 585 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(=O)O Z56899118 [0,1,0,0,0,1|1,0,1]=4 586 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)O Z253842400 [0,1,0,0,0,1|1,0,1]=4 587 B14R1.678 NC(=O)COC(=O)C1=CC=C(C=C1)O Z19674826 [0,1,0,0,0,1|1,0,1]=4 588 B14R1.678 NC1=CC=C(C=C1)C(=O)CCC(=O)O Z1255439771 [0,1,0,0,0,1|1,0,1]=4 589 B14R1.678 NC1=CC=C(C=C1)C(=O)NCC(=O)O Z104484866 [0,1,0,0,0,1|1,0,1]=4 590 B14R1.678 O=C(O)/C=C/C(=O)C1=CC=C(C=C1)F Z3219847233 [0,1,0,0,0,1|1,0,0]=3 591 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)Br Z56860296 [0,1,0,0,0,1|1,0,1]=4 592 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)Cl Z56860292 [0,1,0,0,0,1|1,0,1]=4 593 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)F Z57984615 [0,1,0,0,0,1|1,0,1]=4 594 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)I Z56899021 [0,1,0,0,0,1|1,0,1]=4 595 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)O Z1255458188 [0,1,0,0,0,1|0,0,1]=3 596 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Br Z56827662 [0,1,0,0,0,1|1,0,1]=4 597 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Cl Z56840113 [0,1,0,0,0,1|1,0,1]=4 598 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)F Z56896220 [0,1,0,0,0,1|1,0,1]=4 599 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)O Z285193230 [0,1,0,0,0,1|0,0,1]=3 600 B14R1.679 C=C(COC1=CC=C(C=C1)Br)C(=O)O Z1197868030 [0,1,0,0,0,1|1,0,1]=4 601 B14R1.679 C=C(COC1=CC=C(C=C1)C)C(=O)O Z1197868140 [0,1,0,0,0,1|1,0,1]=4 602 B14R1.679 O=C(O)C(=O)/C=C/C1=CC=C(C=C1)F Z2065904031 [0,1,0,0,0,1|1,0,0]=3 603 B14R1.679 O=C(O)C(=O)NCC1=CC=C(C=C1)F Z424779476 [0,1,0,0,0,1|1,0,1]=4 604 B14R1.2 CCC1=CC=C(C=C1)/C(=C/C(=O)O)/C Z2587768559 [0,2,0,0,0,0|1,0,0]=3 605 B14R1.2 COC1=CC=C(C=C1)/C(=C/C(=O)O)/C Z352747052 [0,2,0,0,0,0|0,0,0]=2 606 B14R1.2 COC1=CC=C(C=C1)C(=O)CC(=O)C Z359504404 [0,2,0,0,0,0|1,0,1]=4 607 B14R1.2 COC1=CC=C(C=C1)C(C)CC(=O)O Z352782172 [0,2,0,0,0,0|0,0,2]=4 608 B14R1.2 COC1=CC=C(C=C1)C(N)CC(=O)O Z147647160 [0,2,0,0,0,0|0,0,2]=4 609 B14R1.3 COC1=CC=C(C=C1)CC(C)C(=O)O Z513659616 [0,2,0,0,0,0|0,0,2]=4 610 B14R1.3 COC1=CC=C(C=C1)CC(O)C(=O)O Z1198174222 [0,2,0,0,0,0|0,0,2]=4 611 B14R1.3 COC1=CC=C(C=C1)NC(=O)C(=O)O Z90122504 [0,2,0,0,0,0|1,0,0]=3 612 B14R1.3 COC1=CC=C(C=C1)OC(C)C(=O)O Z57825367 [0,2,0,0,0,0|1,0,1]=4 613 B14R1.3 COC1=CC=C(C=C1)SC(C)C(=O)O Z149354266 [0,2,0,0,0,0|1,0,1]=4 614 B14R1.5 COC(=O)/C=C/C1=CC=C(C=C1)C=O Z1198151451 [0,2,0,0,0,0|0,0,1]=3 615 B14R1.5 COC(=O)COC1=CC=C(C=C1)CO Z54574919 [0,2,0,0,0,0|1,0,1]=4 616 B14R1.5 COC1=CC=C(C=C1)CCC(=O)NO Z59183016 [0,2,0,0,0,0|0,0,2]=4 617 B14R1.103 COC1=CC(=C(C=C1)/C=C/C(=O)O)C Z3033961334 [0,2,0,0,0,0|0,0,0]=2 618 B14R1.103 COC1=CC(=C(C=C1)CCC(=O)O)Br Z1269115366 [0,2,0,0,0,0|0,0,2]=4 619 B14R1.142 CCOC1=CC=C(C=C1)/C=C/B(O)O Z1198166523 [0,2,0,0,0,0|1,0,1]=4 620 B14R1.142 CCOC1=CC=C(C=C1)/C=C/C(=O)N Z33546127 [0,2,0,0,0,0|1,0,0]=3 621 B14R1.142 CCOC1=CC=C(C=C1)/C=C/C(=O)O Z2315575657 [0,2,0,0,0,0|0,0,0]=2 622 B14R1.142 CCOC1=CC=C(C=C1)CCC(=O)O Z317037950 [0,2,0,0,0,0|0,0,2]=4 623 B14R1.142 CCOC1=CC=C(C=C1)OCC(=O)O Z56896865 [0,2,0,0,0,0|1,0,1]=4 624 B14R1.142 CCOC1=CC=C(C=C1)SCC(=O)O Z57983012 [0,2,0,0,0,0|1,0,1]=4 625 B14R1.419 CC(=O)/C=C/C1=CC=C(C=C1)N(C)C Z234853610 [0,2,0,0,0,0|2,0,0]=4 626 B14R1.419 CC(=O)/C=C/C1=CC=C(C=C1)[N+](=O)[O-] Z234875198 [0,2,0,0,0,0|1,0,1]=4 627 B14R1.419 CC(C)C1=CC=C(C=C1)/C=C/C(=O)O Z2311574705 [0,2,0,0,0,0|1,0,0]=3 628 B14R1.419 CN(C)C1=CC=C(C=C1)/C=C/C(=O)O Z2942851546 [0,2,0,0,0,0|1,0,0]=3 629 B14R1.419 NC(=O)C1=CC=C(C=C1)/C=C/C(=O)O Z2312402372 [0,2,0,0,0,0|0,0,1]=3 630 B14R1.419 O=C(O)/C=C/C1=CC=C(C=C1)[N+](=O)[O-] Z56845264 [0,2,0,0,0,0|0,0,1]=3 631 B14R1.419 O=C(O)CNC1=CC=C(C=C1)C(=O)O Z274567118 [0,2,0,0,0,0|1,0,1]=4 632 B14R1.419 O=C(O)COC1=CC=C(C=C1)C(=O)O Z104509508 [0,2,0,0,0,0|1,0,1]=4 633 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)N)F Z101185926 [0,2,0,0,0,0|1,0,0]=3 634 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)Cl Z2311776784 [0,2,0,0,0,0|0,0,0]=2 635 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)F Z2312274789 [0,2,0,0,0,0|0,0,0]=2 636 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)O Z2693271860 [0,2,0,0,0,0|0,0,0]=2 637 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Br Z303635158 [0,2,0,0,0,0|0,0,2]=4 638 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Cl Z235345357 [0,2,0,0,0,0|0,0,2]=4 639 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)N Z1251354132 [0,2,0,0,0,0|0,0,2]=4 640 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)O Z317038026 [0,2,0,0,0,0|0,0,2]=4 641 B14R1.3653 COC1=C(C=C(C=C1)OCC(=O)O)C Z1430609738 [0,2,0,0,0,0|1,0,1]=4 642 B14R1.3653 COC1=COC(=CC1=O)/C=C/C(=O)O Z2065904035 [0,2,0,0,0,0|1,0,0]=3 643 B14R1.10 COC(=O)CC(=O)C1=CC=C(C=C1)Cl Z317040222 [0,2,0,0,0,0|1,0,1]=4 644 B14R1.134 COC(=O)C(=O)NC1=CC=C(C=C1)C Z285919732 [0,2,0,0,0,0|2,0,0]=4 645 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)O Z57000505 [0,2,0,0,0,0|0,0,2]=4 646 B14R1.502 CCOC(=O)/C=C/C1=CC=C(C=C1)C Z54083206 [0,2,0,0,0,0|1,0,0]=3 647 B14R1.502 CCOC(=O)/C=C/C1=CC=C(C=C1)N Z56770907 [0,2,0,0,0,0|1,0,0]=3 648 B14R1.502 CCOC(=O)/C=C/C1=NC=C(C=C1)Br Z1725938497 [0,2,0,0,0,0|2,0,0]=4 649 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)O Z1200224157 [0,2,0,0,0,0|1,0,1]=4 650 B14R1.727 CNC(=O)/C=C/C1=C(C=C(C=C1)C)C Z240178054 [0,2,0,0,0,0|2,0,0]=4 651 B14R1.833 COC(=O)/C=C/C1=CC(=C(C=C1)Cl)Cl Z24142880 [0,2,0,0,0,0|1,0,0]=3 652 B14R1.833 COC(=O)CCC1=CC(=C(C=C1)O)N Z1509418737 [0,2,0,0,0,0|0,0,2]=4 653 B14R1.1019 CC/C(=C\C(=O)O)/C1=CC=C(C=C1)C Z352747448 [0,2,0,0,0,0|1,0,0]=3 654 B14R1.6048 C/C(=C\C(=O)O)/C1=C(C=C(C=C1)F)F Z352748628 [0,2,0,0,0,0|1,0,0]=3 655 B14R1.536 CC1=CC=C(C=C1)/C=C(/C#N)\C(=O)N Z44298622 [0,2,0,0,0,0|2,0,0]=4 656 B14R1.536 CC1=CC=C(C=C1)/C=C(/C#N)\C(=O)O Z44303450 [0,2,0,0,0,0|1,0,0]=3 657 B14R1.536 N#C/C(=C/C1=CC=C(C=C1)Cl)/C(=O)N Z44298558 [0,2,0,0,0,0|2,0,0]=4 658 B14R1.536 N#C/C(=C/C1=CC=C(C=C1)Cl)/C(=O)O Z44303386 [0,2,0,0,0,0|1,0,0]=3 659 B14R1.536 N#C/C(=C/C1=CC=C(C=C1)F)/C(=O)N Z44298566 [0,2,0,0,0,0|2,0,0]=4 660 B14R1.536 N#C/C(=C/C1=CC=C(C=C1)F)/C(=O)O Z44303394 [0,2,0,0,0,0|1,0,0]=3 661 B14R1.536 N#C/C(=C/C1=CC=C(C=C1)N)/C(=O)N Z56762354 [0,2,0,0,0,0|2,0,0]=4 662 B14R1.536 N#C/C(=C/C1=CC=C(C=C1)O)/C(=O)O Z44303375 [0,2,0,0,0,0|0,0,0]=2 663 B14R1.536 N#C/C(=C/C1=CC=C(C=C1)O)/C(=S)N Z44343021 [0,2,0,0,0,0|1,1,0]=4 664 B14R1.686 C/C(=C\C1=CC(=C(C=C1)F)F)/C(=O)O Z2757550092 [0,2,0,0,0,0|1,0,0]=3 665 B14R1.686 CC(CC1=CC(=C(C=C1)O)O)C(=O)O Z1198162859 [0,2,0,0,0,0|0,0,2]=4 666 B14R1.686 CC1=C(C=C(C=C1)NC(=O)C(=O)O)C Z57980332 [0,2,0,0,0,0|2,0,0]=4 667 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)Br)C(=O)O Z1269188313 [0,2,0,0,0,0|0,0,2]=4 668 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)I)C(=O)O Z1269198907 [0,2,0,0,0,0|0,0,2]=4 669 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z756440064 [0,2,0,0,0,0|0,0,2]=4 670 B14R1.686 N[C@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z1255419382 [0,2,0,0,0,0|0,0,2]=4 671 B14R1.686 O=C(O)C(=O)CC1=CC(=C(C=C1)Cl)Cl Z234896633 [0,2,0,0,0,0|1,0,1]=4 672 B14R1.7626 CC(C)(CC1=CC=C(C=C1)O)C(=O)O Z1376887330 [0,2,0,0,0,0|0,0,2]=4 673 B14R1.7626 C[C@](N)(CC1=CC=C(C=C1)O)C(=O)O Z1255434943 [0,2,0,0,0,0|0,0,2]=4 674 B14R1.6036 CC1=CC(=C(C=C1/C=C/C(=O)O)C)C Z363999626 [0,2,0,0,0,0|1,0,0]=3 675 B14R1.42 COC1=C(C=CC(=C1)/C=C/C(=O)O)F Z1201621929 [0,2,0,0,0,0|1,0,0]=3 676 B14R1.42 COC1=C(C=CC(=C1)/C=C/C(=O)O)O Z56782558 [0,2,0,0,0,0|0,0,0]=2 677 B14R1.42 COC1=C(C=CC(=C1)/C=C/C(C)O)O Z1513917280 [0,2,0,0,0,0|1,0,1]=4 678 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O Z317038020 [0,2,0,0,0,0|0,0,2]=4 679 B14R1.42 O=CC1=C(C=CC(=C1)/C=C/C(=O)O)O Z1198181572 [0,2,0,0,0,0|0,0,0]=2 680 B14R1.42 O=CC1=C(C=CC(=C1)CCC(=O)O)O Z1262519251 [0,2,0,0,0,0|0,0,2]=4 681 B14R1.15552 O=C(O)/C=C/C1=CC(=C(C(=C1)F)F)F Z2942853536 [0,2,0,0,0,0|1,0,0]=3 682 B12R1.127 O=C(O)CC1=C(C=CC(=C1)O)Br Z1269121921 [0,0,1,1,0,0|1,0,1]=4 683 B12R1.224 O=C(O)CC1=C(C(=CC=C1)O)F Z1198218753 [0,0,1,1,0,0|1,0,1]=4 684 B12R1.453 CC1=C(C=C(C=C1)C=O)C(=O)O Z1813092023 [0,0,1,1,0,0|2,0,0]=4 685 B12R1.453 CCC1=CC(=C(C=C1)O)C(=O)O Z367679272 [0,0,1,1,0,0|0,0,2]=4 686 B12R1.453 COC1=CC(=C(C=C1)O)C(=O)O Z104495362 [0,0,1,1,0,0|1,0,1]=4 687 B12R1.453 CSC1=CC(=C(C=C1)O)C(=O)O Z1255431342 [0,0,1,1,0,0|1,0,1]=4 688 B12R1.453 N#CC1=CC(=C(C=C1)O)C(=O)O Z1255393347 [0,0,1,1,0,0|1,0,1]=4 689 B12R1.453 O=CC1=CC(=C(C=C1)F)C(=O)O Z1201623086 [0,0,1,1,0,0|2,0,0]=4 690 B12R1.453 O=CC1=CC(=C(C=C1)O)C(=O)O Z1255430994 [0,0,1,1,0,0|1,0,0]=3 691 B12R2.24 BrC1=CC2=C(C=CC=C2)C=C1 Z166622678 [1,0,0,1,0,0|2,0,0]=4 692 B12R2.24 CC1=CC2=C(C=CC=C2)C=C1 Z104476894 [1,0,0,1,0,0|2,0,0]=4 693 B12R2.24 ClC1=CC2=C(C=CC=C2)C=C1 Z1255485910 [1,0,0,1,0,0|2,0,0]=4 694 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 Z104494980 [1,0,0,1,0,0|2,0,0]=4 695 B12R2.24 NC1=CC2=C(C=CC=N2)C=C1 Z3069264308 [1,0,0,1,0,0|2,0,0]=4 696 B12R2.24 OC1=CC2=C(C=C1)C=NC=C2 Z2753800586 [1,0,0,1,0,0|2,0,0]=4 697 B12R2.24 OC1=CC2=C(C=C1)C=NC=N2 Z1198278088 [1,0,0,1,0,0|2,0,0]=4 698 B12R2.24 OC1=CC2=C(C=C1)N=CC=C2 Z759294450 [1,0,0,1,0,0|2,0,0]=4 699 B12R2.24 OC1=CC2=C(C=C1)N=CC=N2 Z636018680 [1,0,0,1,0,0|2,0,0]=4 700 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 Z57127515 [1,0,0,1,0,0|1,0,0]=3 701 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 Z1255419538 [1,0,0,1,0,0|2,0,0]=4 702 B12R2.24 OC1=CC2=C(C=CN=C2)C=C1 Z56928661 [1,0,0,1,0,0|2,0,0]=4 703 B12R2.132 CN1C=CC2=C1C=C(C=C2)O Z1255447420 [1,0,0,1,0,0|2,0,0]=4 704 B12R2.132 O=C1NCC2=C1C=C(C=C2)O Z1198177071 [1,0,0,1,0,0|1,0,1]=4 705 B12R2.132 O=C1OCC2=C1C=C(C=C2)O Z1198181162 [1,0,0,1,0,0|1,0,1]=4 706 B12R2.132 OC1=CC2=C(C=C1)OC=C2O Z1216838816 [1,0,0,1,0,0|1,0,0]=3 707 B12R2.132 OC1=CC2=C(C=C1)SC=C2Br Z1269146168 [1,0,0,1,0,0|2,0,0]=4 708 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 Z425439028 [1,0,0,1,0,0|1,0,1]=4 709 B12R2.606 CC1=NC2=C(O1)C=C(C=C2)O Z1201620245 [0,0,0,1,1,0|2,0,0]=4 710 B12R2.606 O=C1CC2=C(N1)C=CC(=C2)O Z1198147431 [0,0,0,1,1,0|2,0,0]=4 711 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Br Z381351238 [0,0,0,1,1,0|2,0,0]=4 712 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl Z99599674 [0,0,0,1,1,0|2,0,0]=4 713 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I Z1269166325 [0,0,0,1,1,0|2,0,0]=4 714 B12R2.606 O=C1NC2=C(O1)C=CC(=C2)O Z1198314975 [0,0,0,1,1,0|2,0,0]=4 715 B12R2.606 O=C1OC2=C(O1)C=C(C=C2)Br Z1269212344 [0,0,0,1,1,0|2,0,0]=4 716 B12R2.606 O=C1OC2=C(O1)C=C(C=C2)O Z1198726972 [0,0,0,1,1,0|1,0,0]=3 717 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O Z56801267 [0,0,0,1,1,0|1,1,0]=4 718 B12R2.606 O=C1OC2=C(S1)C=CC(=C2)O Z104483034 [0,0,0,1,1,0|1,0,0]=3 719 B14R2.20 CC1=CC=C(C=C1)C2=CSC(=O)N2 Z409413362 [0,0,0,1,0,1|2,0,0]=4 720 B14R2.20 CC1=CC=C(C=C1)C2=CSC(=O)S2 Z212050922 [0,0,0,1,0,1|1,1,0]=4 721 B14R2.20 CC1=CSC(=N1)C2=CC=C(C=C2)O Z199512996 [0,0,0,1,0,1|2,0,0]=4 722 B14R2.20 CC1=NC(=CS1)C2=CC=C(C=C2)O Z227973234 [0,0,0,1,0,1|2,0,0]=4 723 B14R2.20 CC1=NC=C(O1)C2=CC=C(C=C2)N Z235352197 [0,0,0,1,0,1|2,0,0]=4 724 B14R2.20 FC1=CC=C(C=C1)C2=CN=C(O2)S Z212055570 [0,0,0,1,0,1|1,1,0]=4 725 B14R2.20 NC1=CC=C(C=C1)C2=CNC(=O)N2 Z3243071740 [0,0,0,1,0,1|2,0,0]=4 726 B14R2.20 NC1=CC=C(C=C1)N2C=CC(=O)N2 Z2678251956 [0,0,0,1,0,1|2,0,0]=4 727 B14R2.20 NC1=NC(=CS1)C2=CC=C(C=C2)O Z227972914 [0,0,0,1,0,1|2,0,0]=4 728 B14R2.20 NC1=NC=C(S1)C2=CC=C(C=C2)O Z4500306976 [0,0,0,1,0,1|1,1,0]=4 729 B14R2.20 NC1=NN=C(O1)C2=CC=C(C=C2)O Z1198153882 [0,0,0,1,0,1|2,0,0]=4 730 B14R2.20 O=C1NC(=CO1)C2=CC=C(C=C2)Br Z1726117775 [0,0,0,1,0,1|2,0,0]=4 731 B14R2.20 O=C1NC(=CO1)C2=CC=C(C=C2)Cl Z1509163669 [0,0,0,1,0,1|2,0,0]=4 732 B14R2.20 O=C1NC(=CS1)C2=CC=C(C=C2)Br Z409413358 [0,0,0,1,0,1|2,0,0]=4 733 B14R2.20 O=C1NC(=CS1)C2=CC=C(C=C2)Cl Z56941018 [0,0,0,1,0,1|2,0,0]=4 734 B14R2.20 O=C1NC(=CS1)C2=CC=C(C=C2)F Z409413418 [0,0,0,1,0,1|2,0,0]=4 735 B14R2.20 O=C1NC(=NO1)C2=CC=C(C=C2)O Z1824511487 [0,0,0,1,0,1|2,0,0]=4 736 B14R2.20 O=C1NC=C(N1)C2=CC=C(C=C2)Br Z1269176974 [0,0,0,1,0,1|2,0,0]=4 737 B14R2.20 O=C1NN=C(O1)C2=CC=C(C=C2)F Z57980676 [0,0,0,1,0,1|2,0,0]=4 738 B14R2.20 O=C1SC=C(S1)C2=CC=C(C=C2)Br Z212050918 [0,0,0,1,0,1|1,1,0]=4 739 B14R2.20 O=C1SC=C(S1)C2=CC=C(C=C2)F Z173808382 [0,0,0,1,0,1|1,1,0]=4 740 B14R2.20 OC1=CC=C(C=C1)C2=CC(=CS2)F Z4662119441 [0,0,0,1,0,1|2,0,0]=4 741 B14R2.20 OC1=CC=C(C=C1)N2C=CC(=N2)O Z3069064854 [0,0,0,1,0,1|1,0,0]=3 742 B14R2.20 OC1=NN(C=C1)C2=CC=C(C=C2)Br Z1269130584 [0,0,0,1,0,1|2,0,0]=4 743 B14R2.20 SC1=NC=C(O1)C2=CC=C(C=C2)Cl Z212055566 [0,0,0,1,0,1|1,1,0]=4 744 B14R2.5816 CC(=O)C1=CNC2=C1C=C(C=C2)Br Z382706242 [0,0,0,1,0,1|2,0,0]=4 745 B14R2.5816 CC(=O)C1=CNC2=C1C=C(C=C2)C Z1138836442 [0,0,0,1,0,1|2,0,0]=4 746 B14R2.5816 CC(=O)C1=CSC2=C1C=C(C=C2)Br Z1269126890 [0,0,0,1,0,1|2,0,0]=4 747 B14R2.5816 CC1=CC2=C(C=C1)NC=C2C(=O)O Z1138836780 [0,0,0,1,0,1|1,0,0]=3 748 B14R2.5816 CC1=CC2=C(C=C1)NN=C2C(=O)O Z359384098 [0,0,0,1,0,1|2,0,0]=4 749 B14R2.5816 CC1=CC2=C(C=C1)OC=C2C(=O)O Z1262557910 [0,0,0,1,0,1|1,0,0]=3 750 B14R2.5816 CC1=CC2=C(C=C1)SC=C2C(=O)O Z1262514539 [0,0,0,1,0,1|1,0,0]=3 751 B14R2.5816 CC1=CC2=C(C=C1)SN=C2C(=O)O Z1201628920 [0,0,0,1,0,1|2,0,0]=4 752 B14R2.5816 CC1=CC2=C(C=NN2C=C1)C(=O)O Z1198172892 [0,0,0,1,0,1|2,0,0]=4 753 B14R2.5816 CC1=CC2=C(N=CN2C=C1)C(=O)O Z1551943488 [0,0,0,1,0,1|2,0,0]=4 754 B14R2.5816 CC1=CN2C(=CN=C2C=C1)C(=O)O Z1198268371 [0,0,0,1,0,1|2,0,0]=4 755 B14R2.5816 O=C(O)C1=C2C=C(C=CC2=NN1)I Z1267773707 [0,0,0,1,0,1|2,0,0]=4 756 B14R2.5816 O=C(O)C1=C2C=C(C=CC2=NS1)Br Z1618149419 [0,0,0,1,0,1|2,0,0]=4 757 B14R2.5816 O=C(O)C1=CNC2=C1C=C(C=C2)Br Z147652440 [0,0,0,1,0,1|1,0,0]=3 758 B14R2.5816 O=C(O)C1=CNC2=C1C=C(C=C2)F Z1160903087 [0,0,0,1,0,1|1,0,0]=3 759 B14R2.5816 O=C(O)C1=CNC2=C1C=C(C=N2)Br Z1269130034 [0,0,0,1,0,1|2,0,0]=4 760 B14R2.5816 O=C(O)C1=COC2=C1C=C(C=C2)Br Z1267805736 [0,0,0,1,0,1|1,0,0]=3 761 B14R2.5816 O=C(O)C1=COC2=C1C=C(C=C2)F Z1262556214 [0,0,0,1,0,1|1,0,0]=3 762 B14R2.5816 O=C(O)C1=COC2=C1C=C(C=C2)O Z1255392768 [0,0,0,1,0,1|0,0,0]=2 763 B14R2.5816 O=C(O)C1=CSC2=C1C=C(C=C2)Br Z329734226 [0,0,0,1,0,1|1,0,0]=3 764 B14R2.5816 O=C(O)C1=CSC2=C1C=C(C=C2)F Z1255461980 [0,0,0,1,0,1|1,0,0]=3 765 B14R2.5816 O=C(O)C1=NNC2=C1C=C(C=C2)Br Z1134126538 [0,0,0,1,0,1|2,0,0]=4 766 B14R2.5816 O=C(O)C1=NNC2=C1C=C(C=C2)Cl Z291279216 [0,0,0,1,0,1|2,0,0]=4 767 B14R2.5816 O=C(O)C1=NNC2=C1C=C(C=C2)F Z1198163375 [0,0,0,1,0,1|2,0,0]=4 768 B14R2.5816 O=C(O)C1=NOC2=C1C=C(C=C2)Br Z1269159549 [0,0,0,1,0,1|2,0,0]=4 769 B14R2.5816 O=C(O)C1=NOC2=C1C=C(C=C2)Cl Z2732748776 [0,0,0,1,0,1|2,0,0]=4 770 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 Z53852417 [0,1,0,1,0,0|0,0,0]=2 771 B14R2.134 COC1=NC2=C(C=CC(=C2)N)C=C1 Z1504675186 [0,1,0,1,0,0|2,0,0]=4 772 B14R2.134 O=CC1=CC2=C(C=CC(=C2)Br)C=C1 Z1269233153 [0,1,0,1,0,0|2,0,0]=4 773 B14R2.134 O=CC1=NC2=C(C=CC(=C2)Br)C=C1 Z1269177364 [0,1,0,1,0,0|2,0,0]=4 774 B14R2.134 O=CC1=NC2=C(C=CC(=C2)Cl)C=C1 Z1198168652 [0,1,0,1,0,0|2,0,0]=4 775 B14R2.134 OCC1=CC2=C(C=CC(=C2)Br)C=C1 Z1269164668 [0,1,0,1,0,0|2,0,0]=4 776 B14R2.4513 CC1=C2NC(=O)C=CC2=CC=C1Cl Z1201628032 [0,1,0,1,0,0|2,0,0]=4 777 B14R2.4513 O=C1C=CC2=C(N1)C(=C(C=C2)Cl)Cl Z1209414486 [0,1,0,1,0,0|2,0,0]=4 778 B14R2.4513 O=C1C=CC2=CC=C(C(=C2N1)Cl)Br Z2472476632 [0,1,0,1,0,0|2,0,0]=4 779 B14R2.29365 CC1=C2C=CC(=CC2=NC(=C1)N)O Z3396419620 [0,1,0,1,0,0|2,0,0]=4 780 B14R2.29365 CC1=CC(=NC2=C1C=CC(=C2)O)C Z56791930 [0,1,0,1,0,0|2,0,0]=4 781 B14R2.29365 CC1=CC(=O)C2=C(O1)C=C(C=C2)Br Z2737414453 [0,1,0,1,0,0|2,0,0]=4 782 B14R2.29365 CC1=CC(=O)NC2=C1C=CC(=C2)O Z1255365163 [0,1,0,1,0,0|1,0,0]=3 783 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(=C2)N Z57024337 [0,1,0,1,0,0|1,0,0]=3 784 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(=C2)O Z56763041 [0,1,0,1,0,0|0,0,0]=2 785 B14R2.29365 CC1=CC2=C(C=C1)C(=CC(=O)N2)C Z235353821 [0,1,0,1,0,0|2,0,0]=4 786 B14R2.29365 CC1=NC2=C(C=CC(=C2)O)C(=C1)O Z1513809269 [0,1,0,1,0,0|2,0,0]=4 787 B14R2.29365 CC1CC(=O)OC2=C1C=CC(=C2)O Z1513808003 [0,1,0,1,0,0|0,0,2]=4 788 B14R2.29365 O=C1C=C(C2=C(O1)C=C(C=C2)F)O Z1255458510 [0,1,0,1,0,0|1,0,0]=3 789 B14R2.29365 O=C1C=CC2=C(N1)C=C(C=C2Cl)Cl Z1209414441 [0,1,0,1,0,0|2,0,0]=4 790 B14R2.29365 O=C1NC(=O)C2=C(O1)C=C(C=C2)Cl Z1262692545 [0,1,0,1,0,0|2,0,0]=4 791 B14R2.4529 CC(=O)C1=CC2=C(O1)C=C(C=C2)C Z1198335259 [0,1,0,1,0,0|2,0,0]=4 792 B14R2.4529 CC(=O)C1=CC2=C(S1)C=CC(=C2)O Z1513833562 [0,1,0,1,0,0|2,0,0]=4 793 B14R2.4529 CC1=CC2=C(C=C1)C=C(N2)C(=O)N Z319647978 [0,1,0,1,0,0|2,0,0]=4 794 B14R2.4529 CC1=CC2=C(C=C1)C=C(N2)C(=O)O Z119989628 [0,1,0,1,0,0|1,0,0]=3 795 B14R2.4529 CC1=CC2=C(C=C1)NC(=C2)C(=O)O Z235352033 [0,1,0,1,0,0|2,0,0]=4 796 B14R2.4529 CC1=CC2=C(C=C1)OC(=C2)C(=O)O Z274568060 [0,1,0,1,0,0|2,0,0]=4 797 B14R2.4529 CC1=CC2=C(C=C1)SC(=C2)C(=O)O Z1201623026 [0,1,0,1,0,0|2,0,0]=4 798 B14R2.4529 CC1=CC2=NC(=CN2C=C1)C(=O)O Z89283367 [0,1,0,1,0,0|2,0,0]=4 799 B14R2.4529 CC1=CN2C=C(C=C2C=C1)C(=O)O Z1262530890 [0,1,0,1,0,0|2,0,0]=4 800 B14R2.4529 NC(=O)C1=NC2=C(O1)C=CC(=C2)O Z2311082108 [0,1,0,1,0,0|2,0,0]=4 801 B14R2.4529 NC1=CC2=C(C=C1)NC(=C2)C(=O)O Z1198179704 [0,1,0,1,0,0|2,0,0]=4 802 B14R2.4529 NC1=CC2=C(C=C1)OC(=C2)C(=O)O Z426041472 [0,1,0,1,0,0|2,0,0]=4 803 B14R2.4529 NC1=CC2=C(C=C1)SC(=C2)C(=O)O Z406715302 [0,1,0,1,0,0|2,0,0]=4 804 B14R2.4529 NC1=CC2=NC(=CN2C=C1)C(=O)O Z2471612723 [0,1,0,1,0,0|2,0,0]=4 805 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)Br Z119989542 [0,1,0,1,0,0|1,0,0]=3 806 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)Cl Z119990438 [0,1,0,1,0,0|1,0,0]=3 807 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)F Z119989546 [0,1,0,1,0,0|1,0,0]=3 808 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)I Z1269156950 [0,1,0,1,0,0|1,0,0]=3 809 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)Br Z285234024 [0,1,0,1,0,0|2,0,0]=4 810 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)Cl Z235363065 [0,1,0,1,0,0|2,0,0]=4 811 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)F Z235348085 [0,1,0,1,0,0|2,0,0]=4 812 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)I Z1269156688 [0,1,0,1,0,0|2,0,0]=4 813 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)O Z2894427530 [0,1,0,1,0,0|1,0,0]=3 814 B14R2.4529 O=C(O)C1=CC2=C(O1)C=C(C=C2)Cl Z1262517550 [0,1,0,1,0,0|1,0,0]=3 815 B14R2.4529 O=C(O)C1=CC2=C(O1)C=CC(=C2)Br Z111570846 [0,1,0,1,0,0|2,0,0]=4 816 B14R2.4529 O=C(O)C1=CC2=C(O1)C=CC(=C2)Cl Z104341200 [0,1,0,1,0,0|2,0,0]=4 817 B14R2.4529 O=C(O)C1=CC2=C(O1)C=CC(=C2)F Z979493270 [0,1,0,1,0,0|2,0,0]=4 818 B14R2.4529 O=C(O)C1=CC2=C(S1)C=C(C=C2)Cl Z1741972044 [0,1,0,1,0,0|1,0,0]=3 819 B14R2.4529 O=C(O)C1=CC2=C(S1)C=C(C=C2)F Z90121766 [0,1,0,1,0,0|1,0,0]=3 820 B14R2.4529 O=C(O)C1=CC2=C(S1)C=CC(=C2)Br Z1269202680 [0,1,0,1,0,0|2,0,0]=4 821 B14R2.4529 O=C(O)C1=CC2=C(S1)C=CC(=C2)Cl Z1269192627 [0,1,0,1,0,0|2,0,0]=4 822 B14R2.4529 O=C(O)C1=CC2=C(S1)C=CC(=C2)F Z90663383 [0,1,0,1,0,0|2,0,0]=4 823 B14R2.4529 O=C(O)C1=CC2=C(S1)N=C(C=C2)O Z2511836887 [0,1,0,1,0,0|1,0,0]=3 824 B14R2.4529 O=C(O)C1=CN2C=C(C=CC2=C1)Br Z1416165315 [0,1,0,1,0,0|2,0,0]=4 825 B14R2.4529 O=C(O)C1=CN2C=C(C=CC2=C1)Cl Z1551916980 [0,1,0,1,0,0|2,0,0]=4 826 B14R2.4529 O=C(O)C1=CN2C=CC(=CC2=C1)Cl Z1551936055 [0,1,0,1,0,0|2,0,0]=4 827 B14R2.4529 O=C(O)C1=CN2C=CC(=CC2=N1)Br Z1269131353 [0,1,0,1,0,0|2,0,0]=4 828 B14R2.4529 O=C(O)C1=CN2C=CC(=CC2=N1)F Z1198172907 [0,1,0,1,0,0|2,0,0]=4 829 B14R2.4529 O=C(O)C1=CN2C=CC(=CC2=N1)I Z4970052843 [0,1,0,1,0,0|2,0,0]=4 830 B14R2.4529 O=C(O)C1=NN2C=C(C=CC2=C1)Br Z1269230585 [0,1,0,1,0,0|2,0,0]=4 831 B14R2.7933 O=C(O)C1CC2=C1C=C(C(=C2)F)O Z4959121917 [0,1,0,1,0,0|0,0,2]=4 832 B10R1.18 CC(=O)NC1=CC=CC=C1 Z27782600 [1,0,0,0,1,0|2,0,0]=4 833 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [1,0,0,0,1,0|1,0,1]=4 834 B10R1.18 NC(=O)OC1=CC=CC=C1 Z33547080 [1,0,0,0,1,0|2,0,0]=4 835 B10R1.18 O=C(O)CC1=CC=NC=C1 Z271099418 [1,0,0,0,1,0|1,0,1]=4 836 B10R1.18 O=C(O)CC1=CN=CC=C1 Z285131558 [1,0,0,0,1,0|1,0,1]=4 837 B10R1.18 O=S(O)CC1=CC=CC=C1 Z3211806022 [1,0,0,0,1,0|1,0,1]=4 838 B10R1.66 CC(=O)/C=C/C1=CC=CO1 Z57114540 [1,0,0,0,1,0|2,0,0]=4 839 B10R1.66 O=C(O)/C=C/C1=CC=CN1 Z1198166880 [1,0,0,0,1,0|1,0,0]=3 840 B10R1.66 O=C(O)/C=C/C1=CC=CO1 Z2311574202 [1,0,0,0,1,0|1,0,0]=3 841 B10R1.66 O=C(O)/C=C/C1=CC=CS1 Z56855126 [1,0,0,0,1,0|1,0,0]=3 842 B10R1.66 O=C(O)/C=C/C1=CN=CS1 Z1198166918 [1,0,0,0,1,0|2,0,0]=4 843 B10R1.66 O=C(O)/C=C/C1=CNC=C1 Z1203733427 [1,0,0,0,1,0|1,0,0]=3 844 B10R1.66 O=C(O)/C=C/C1=CNC=N1 Z2942853595 [1,0,0,0,1,0|2,0,0]=4 845 B10R1.66 O=C(O)/C=C/C1=CNN=C1 Z2670716109 [1,0,0,0,1,0|2,0,0]=4 846 B10R1.66 O=C(O)/C=C/C1=COC=N1 Z2633786305 [1,0,0,0,1,0|2,0,0]=4 847 B10R1.66 O=C(O)/C=C/C1=CSC=C1 Z2417572197 [1,0,0,0,1,0|1,0,0]=3 848 B10R1.66 O=C(O)/C=C/C1=CSC=N1 Z381407308 [1,0,0,0,1,0|2,0,0]=4 849 B10R1.66 O=C(O)/C=C/C1=NC=CN1 Z2488957066 [1,0,0,0,1,0|2,0,0]=4 850 B10R1.66 O=C(O)/C=C/C1=NC=CO1 Z2648955764 [1,0,0,0,1,0|2,0,0]=4 851 B10R1.66 O=C(O)/C=C/C1=NC=CS1 Z381407314 [1,0,0,0,1,0|2,0,0]=4 852 B10R1.66 O=C(O)/C=C/C1=NNC=C1 Z3037424296 [1,0,0,0,1,0|2,0,0]=4 853 B10R1.13 CC(=O)C1=CC=C(C=C1)Br Z57127459 [0,0,0,0,2,0|2,0,0]=4 854 B10R1.13 CC(=O)C1=CC=C(C=C1)C Z57127458 [0,0,0,0,2,0|2,0,0]=4 855 B10R1.13 CC(=O)C1=CC=C(C=C1)Cl Z57127462 [0,0,0,0,2,0|2,0,0]=4 856 B10R1.13 CC(=O)C1=CC=C(C=C1)F Z57127466 [0,0,0,0,2,0|2,0,0]=4 857 B10R1.13 CC(=O)C1=CC=C(C=C1)I Z57073725 [0,0,0,0,2,0|2,0,0]=4 858 B10R1.13 CC(=O)C1=CC=C(C=C1)N Z57127377 [0,0,0,0,2,0|2,0,0]=4 859 B10R1.13 CC(=O)C1=CC=C(C=C1)O Z57040434 [0,0,0,0,2,0|1,0,0]=3 860 B10R1.13 CC1=CC=C(C=C1)C(=O)O Z57902424 [0,0,0,0,2,0|1,0,0]=3 861 B10R1.13 CC1=CN=C(C=C1)C(=O)O Z1511494596 [0,0,0,0,2,0|2,0,0]=4 862 B10R1.13 CC1=NC=C(C=C1)C(=O)O Z235485476 [0,0,0,0,2,0|2,0,0]=4 863 B10R1.13 N=C(N)C1=CC=C(C=C1)O Z1262398570 [0,0,0,0,2,0|2,0,0]=4 864 B10R1.13 NC(=O)C1=CC=C(C=C1)Br Z33546526 [0,0,0,0,2,0|2,0,0]=4 865 B10R1.13 NC(=O)C1=CC=C(C=C1)F Z33546459 [0,0,0,0,2,0|2,0,0]=4 866 B10R1.13 NC(=O)C1=CC=C(C=C1)I Z33546486 [0,0,0,0,2,0|2,0,0]=4 867 B10R1.13 NC(=O)C1=CC=C(C=C1)N Z104474782 [0,0,0,0,2,0|2,0,0]=4 868 B10R1.13 NC(=O)C1=CC=C(C=C1)O Z104502228 [0,0,0,0,2,0|1,0,0]=3 869 B10R1.13 NC(=S)C1=CC=C(C=C1)O Z90124534 [0,0,0,0,2,0|1,1,0]=4 870 B10R1.13 NC1=CC=C(C=C1)C(=O)O Z57127446 [0,0,0,0,2,0|1,0,0]=3 871 B10R1.13 NC1=CN=C(C=C1)C(=O)O Z1649677869 [0,0,0,0,2,0|2,0,0]=4 872 B10R1.13 NC1=NC=C(C=C1)C(=O)O Z90122558 [0,0,0,0,2,0|2,0,0]=4 873 B10R1.13 O=C(O)C1=CC=C(C=C1)Br Z57127530 [0,0,0,0,2,0|1,0,0]=3 874 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl Z104473324 [0,0,0,0,2,0|1,0,0]=3 875 B10R1.13 O=C(O)C1=CC=C(C=C1)F Z57367354 [0,0,0,0,2,0|1,0,0]=3 876 B10R1.13 O=C(O)C1=CC=C(C=C1)I Z57636572 [0,0,0,0,2,0|1,0,0]=3 877 B10R1.13 O=C(O)C1=CC=C(C=C1)O Z104498098 [0,0,0,0,2,0|0,0,0]=2 878 B10R1.13 O=C(O)C1=CC=C(C=C1)S Z223639246 [0,0,0,0,2,0|0,1,0]=3 879 B10R1.13 O=C(O)C1=CN=C(C=C1)Br Z1258919772 [0,0,0,0,2,0|2,0,0]=4 880 B10R1.13 O=C(O)C1=CN=C(C=C1)Cl Z104476110 [0,0,0,0,2,0|2,0,0]=4 881 B10R1.13 O=C(O)C1=CN=C(C=C1)F Z1182395505 [0,0,0,0,2,0|2,0,0]=4 882 B10R1.13 O=C(O)C1=CN=C(C=C1)O Z104500708 [0,0,0,0,2,0|1,0,0]=3 883 B10R1.13 O=C(O)C1=NC=C(C=C1)Br Z972791012 [0,0,0,0,2,0|2,0,0]=4 884 B10R1.13 O=C(O)C1=NC=C(C=C1)Cl Z1201622823 [0,0,0,0,2,0|2,0,0]=4 885 B10R1.13 O=C(O)C1=NC=C(C=C1)I Z1069125846 [0,0,0,0,2,0|2,0,0]=4 886 B10R1.13 O=C1C=CC(=CO1)C(=O)O Z104472302 [0,0,0,0,2,0|1,0,1]=4 887 B10R1.13 O=P(O)C1=CC=C(C=C1)Cl Z56798029 [0,0,0,0,2,0|2,0,0]=4 888 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O Z57127483 [0,0,0,0,2,0|1,0,1]=4 889 B10R1.13 OB(O)C1=CC=C(C=C1)O Z336080006 [0,0,0,0,2,0|1,0,1]=4 890 B12R1.252 O=C(O)/C=C/SC1=CC=CC=C1 Z104378002 [1,0,0,0,0,1|0,0,0]=2 891 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 Z976639296 [1,0,0,0,0,1|0,0,2]=4 892 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [1,0,0,0,0,1|0,0,2]=4 893 B12R1.252 O=C(O)CCNC1=CC=CC=C1 Z56899128 [1,0,0,0,0,1|0,0,2]=4 894 B12R1.252 O=C(O)CCOC1=CC=CC=C1 Z56854475 [1,0,0,0,0,1|0,0,2]=4 895 B12R1.252 O=C(O)CCSC1=CC=CC=C1 Z56821538 [1,0,0,0,0,1|0,0,2]=4 896 B12R1.252 O=C(O)CSCC1=CC=CC=C1 Z19691777 [1,0,0,0,0,1|0,0,2]=4