0 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 Z2582847786 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.91 CC(=O)/C=C/C1=NC=CC=C1 Z2004564056 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.91 CC(=O)NCC1=NC=CC=C1 Z324553036 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.91 CC(=O)NNC1=CC=CC=C1 Z27767717 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.91 CC(C)CNC1=CC=CC=C1 Z2092369729 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.91 CC(N)COC1=CC=CC=C1 Z600397650 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.91 CC(O)CNC1=CC=CC=C1 Z234898271 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.91 CN(C)CCC1=CC=CC=C1 Z168912026 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.91 FC(F)SCC1=CC=CC=C1 Z55626056 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.91 N=C(N)COC1=CC=CC=C1 Z1532540938 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.91 N=C(N)CSC1=CC=CC=C1 Z1532718998 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.91 N=C(N)NCC1=CC=NC=C1 Z2723680409 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.91 N=C(N)NCC1=NC=CC=C1 Z911465258 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.91 N=C(N)SCC1=CC=CC=C1 Z89242849 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.91 NC(=O)/C=C/C1=CN=CC=C1 Z284112150 [0,0,0,0,0,0|2,0,2]=4 21 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [0,0,0,0,0,0|1,0,0]=1 22 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [0,0,0,0,0,0|2,0,0]=2 23 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.91 NC(=O)COC1=CN=CC=C1 Z336080090 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.91 NC(=O)CSC1=CC=NC=C1 Z33546963 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [0,0,0,0,0,0|2,0,0]=2 29 B11R1.91 NC(=O)NCC1=CC=NC=C1 Z198194796 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.91 NC(=O)NCC1=CN=CC=C1 Z57664442 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.91 NC(=O)NCC1=NC=CC=C1 Z198194794 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [0,0,0,0,0,0|2,0,0]=2 33 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [0,0,0,0,0,0|1,1,0]=2 34 B11R1.91 NC(=S)COC1=CC=CC=C1 Z108595128 [0,0,0,0,0,0|2,1,0]=3 35 B11R1.91 NC(=S)NCC1=CC=CC=C1 Z56900892 [0,0,0,0,0,0|2,1,0]=3 36 B11R1.91 NC(=S)NNC1=CC=CC=C1 Z104483868 [0,0,0,0,0,0|3,1,0]=4 37 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [0,0,0,0,0,0|0,0,2]=2 38 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 Z2315575398 [0,0,0,0,0,0|1,0,2]=3 39 B11R1.91 O=C(O)/C=C/C1=CN=CC=C1 Z2315575379 [0,0,0,0,0,0|1,0,2]=3 40 B11R1.91 O=C(O)/C=C/C1=NC=CC=C1 Z57069085 [0,0,0,0,0,0|1,0,2]=3 41 B11R1.91 O=C(O)/C=C/C1=NC=CN=C1 Z445220894 [0,0,0,0,0,0|2,0,2]=4 42 B11R1.91 O=C(O)/C=C/C1=NC=NC=C1 Z1184882069 [0,0,0,0,0,0|2,0,2]=4 43 B11R1.91 O=C(O)C#CC1=CC=CC=C1 Z271128592 [0,0,0,0,0,0|0,0,2]=2 44 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [0,0,0,0,0,0|0,0,0]=0 45 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [0,0,0,0,0,0|1,0,0]=1 46 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [0,0,0,0,0,0|1,0,0]=1 47 B11R1.91 O=C(O)CCC1=CN=CN=C1 Z1198279878 [0,0,0,0,0,0|2,0,0]=2 48 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [0,0,0,0,0,0|1,0,0]=1 49 B11R1.91 O=C(O)CCC1=NC=CC=N1 Z1255372831 [0,0,0,0,0,0|2,0,0]=2 50 B11R1.91 O=C(O)CCC1=NC=CN=C1 Z1198184629 [0,0,0,0,0,0|2,0,0]=2 51 B11R1.91 O=C(O)CCC1=NC=NC=C1 Z1184882132 [0,0,0,0,0,0|2,0,0]=2 52 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [0,0,0,0,0,0|1,0,0]=1 53 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [0,0,0,0,0,0|2,0,0]=2 54 B11R1.91 O=C(O)CNC1=CN=CC=C1 Z3058782338 [0,0,0,0,0,0|2,0,0]=2 55 B11R1.91 O=C(O)CNC1=NC=CC=C1 Z2470036492 [0,0,0,0,0,0|2,0,0]=2 56 B11R1.91 O=C(O)CNC1=NC=CC=N1 Z228588498 [0,0,0,0,0,0|3,0,0]=3 57 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [0,0,0,0,0,0|1,0,0]=1 58 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [0,0,0,0,0,0|2,0,0]=2 59 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [0,0,0,0,0,0|1,0,0]=1 60 B11R1.91 O=C(O)CSC1=CC=NC=C1 Z104479390 [0,0,0,0,0,0|2,0,0]=2 61 B11R1.91 O=C(O)CSC1=NC=CC=C1 Z31205663 [0,0,0,0,0,0|2,0,0]=2 62 B11R1.91 O=C(O)CSC1=NC=CC=N1 Z31205664 [0,0,0,0,0,0|3,0,0]=3 63 B11R1.91 O=C([O-])COC1=NC=CC=C1 Z2989350877 [0,0,0,0,0,0|2,0,1]=3 64 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [0,0,0,0,0,0|1,0,1]=2 65 B11R1.91 O=[N+]([O-])CSC1=CC=CC=C1 Z1255375331 [0,0,0,0,0,0|2,0,1]=3 66 B11R1.91 OB(O)/C=C/C1=CC=CC=C1 Z2315575087 [0,0,0,0,0,0|1,0,3]=4 67 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [0,0,0,0,0,0|1,0,1]=2 68 B10R1.17 BrCCOC1=CC=CC=C1 Z56950513 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [1,0,0,0,0,0|1,0,1]=3 70 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.17 CNCCC1=CC=NC=C1 Z235580560 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.17 CNCCC1=CN=CC=C1 Z2418466818 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.17 CNCCC1=NC=CC=C1 Z2238930991 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [1,0,0,0,0,0|1,0,1]=3 77 B10R1.17 N#CCNC1=CC=CC=C1 Z56347332 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.17 N#CCOC1=CC=CC=C1 Z53792061 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.17 N#CCSC1=CC=CC=C1 Z19751391 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [1,0,0,0,0,0|1,0,1]=3 81 B10R1.17 NCCCC1=CN=CC=C1 Z3058301115 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.17 NCCCC1=NC=CC=C1 Z600381818 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.17 NCCOC1=CC=CC=C1 Z355423232 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.17 NCCSC1=CC=CC=C1 Z57970213 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.17 O=C/C=C/C1=CC=CC=C1 Z3219847383 [1,0,0,0,0,0|0,0,2]=3 87 B10R1.17 O=C/C=C/C1=CC=NC=C1 Z2417822722 [1,0,0,0,0,0|1,0,2]=4 88 B10R1.17 O=C/C=C/C1=NC=CC=C1 Z1255366309 [1,0,0,0,0,0|1,0,2]=4 89 B10R1.17 O=CC#CC1=CC=CC=C1 Z1255485337 [1,0,0,0,0,0|0,0,2]=3 90 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [1,0,0,0,0,0|0,0,0]=1 91 B10R1.17 O=CCCC1=CC=NC=C1 Z1070006438 [1,0,0,0,0,0|1,0,0]=2 92 B10R1.17 O=CCCC1=CN=CC=C1 Z1198276578 [1,0,0,0,0,0|1,0,0]=2 93 B10R1.17 O=CCCC1=NC=CC=C1 Z1079158816 [1,0,0,0,0,0|1,0,0]=2 94 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [1,0,0,0,0,0|1,0,0]=2 95 B10R1.17 O=CCOC1=NC=CC=C1 Z1255434510 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [1,0,0,0,0,0|1,0,0]=2 97 B10R1.17 O=CNNC1=CC=CC=C1 Z1198148433 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.17 OC/C=C/C1=CC=CC=C1 Z104473562 [1,0,0,0,0,0|0,0,3]=4 99 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [1,0,0,0,0,0|0,0,1]=2 100 B10R1.17 OCCCC1=CC=NC=C1 Z104475752 [1,0,0,0,0,0|1,0,1]=3 101 B10R1.17 OCCCC1=CN=CC=C1 Z104479004 [1,0,0,0,0,0|1,0,1]=3 102 B10R1.17 OCCCC1=NC=NC=C1 Z2044799287 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.17 OCCNC1=CC=NC=C1 Z359301874 [1,0,0,0,0,0|2,0,1]=4 104 B10R1.17 OCCNC1=NC=CC=C1 Z31212159 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.17 OCCOC1=CC=CC=C1 Z104473570 [1,0,0,0,0,0|1,0,1]=3 106 B10R1.17 OCCOC1=CN=CC=C1 Z1180078238 [1,0,0,0,0,0|2,0,1]=4 107 B10R1.17 OCCSC1=CC=CC=C1 Z149157348 [1,0,0,0,0,0|1,0,1]=3 108 B10R1.17 S=C=NCC1=CC=CC=C1 Z56869309 [1,0,0,0,0,0|1,1,1]=4 109 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F Z1201619760 [0,1,0,0,0,0|1,0,2]=4 110 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C Z406376788 [0,1,0,0,0,0|1,0,0]=2 111 B12R1.21 CC(=O)CCC1=CC=C(C=C1)F Z406376784 [0,1,0,0,0,0|1,0,0]=2 112 B12R1.21 CC(=O)CCC1=CC=C(C=C1)I Z1263632422 [0,1,0,0,0,0|1,0,0]=2 113 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Br Z816034502 [0,1,0,0,0,0|2,0,0]=3 114 B12R1.21 CC(=O)NCC1=CC=C(C=C1)N Z600391558 [0,1,0,0,0,0|2,0,0]=3 115 B12R1.21 CC(=O)NNC1=CC=C(C=C1)F Z30877183 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.21 CC(C)CCC1=CC=C(C=C1)N Z424736042 [0,1,0,0,0,0|2,0,1]=4 117 B12R1.21 CC(N)CCC1=CC=C(C=C1)Br Z235361851 [0,1,0,0,0,0|2,0,1]=4 118 B12R1.21 CC(N)CCC1=CC=C(C=C1)I Z1947443961 [0,1,0,0,0,0|2,0,1]=4 119 B12R1.21 CC(N)CCC1=CC=C(C=C1)O Z220327456 [0,1,0,0,0,0|2,0,1]=4 120 B12R1.21 CC(O)CCC1=CC=C(C=C1)O Z57921369 [0,1,0,0,0,0|1,0,1]=3 121 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)O Z2942851512 [0,1,0,0,0,0|0,0,2]=3 122 B12R1.21 CC1=CC=C(C=C1)CCC(=O)N Z194976512 [0,1,0,0,0,0|1,0,0]=2 123 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O Z169855336 [0,1,0,0,0,0|0,0,0]=1 124 B12R1.21 CC1=CC=C(C=C1)CNC(=N)N Z911465430 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.21 CC1=CC=C(C=C1)CNC(=O)N Z198194838 [0,1,0,0,0,0|2,0,0]=3 126 B12R1.21 CC1=CC=C(C=C1)CNC(=S)N Z56915894 [0,1,0,0,0,0|2,1,0]=4 127 B12R1.21 CC1=CC=C(C=C1)OCC(=O)N Z19732046 [0,1,0,0,0,0|2,0,0]=3 128 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O Z56812739 [0,1,0,0,0,0|1,0,0]=2 129 B12R1.21 CC1=CC=C(C=C1)OCC(=S)N Z295396970 [0,1,0,0,0,0|2,1,0]=4 130 B12R1.21 CC1=CC=C(C=C1)SCC(=O)N Z18770000 [0,1,0,0,0,0|2,0,0]=3 131 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O Z55903478 [0,1,0,0,0,0|1,0,0]=2 132 B12R1.21 CC1=CC=C(C=C1)SC[N+](=O)[O-] Z2026405117 [0,1,0,0,0,0|2,0,1]=4 133 B12R1.21 CC1=CN=C(C=C1)/C=C/C(=O)O Z1816507718 [0,1,0,0,0,0|1,0,2]=4 134 B12R1.21 CC1=NC=C(C=C1)/C=C/C(=O)O Z1815157396 [0,1,0,0,0,0|1,0,2]=4 135 B12R1.21 CC1=NC=C(C=C1)CCC(=O)O Z2310699273 [0,1,0,0,0,0|1,0,0]=2 136 B12R1.21 CN(C)CCC1=CC=C(C=C1)Br Z2335774813 [0,1,0,0,0,0|3,0,0]=4 137 B12R1.21 CN(C)CCC1=CC=C(C=C1)N Z335289246 [0,1,0,0,0,0|3,0,0]=4 138 B12R1.21 N=C(N)SCC1=CC=C(C=C1)Br Z48820389 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.21 N=C(N)SCC1=CC=C(C=C1)Cl Z48820386 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Br Z33545605 [0,1,0,0,0,0|1,0,2]=4 141 B12R1.21 NC(=O)CCC1=CC=C(C=C1)F Z87614992 [0,1,0,0,0,0|1,0,0]=2 142 B12R1.21 NC(=O)CCC1=CC=C(C=C1)N Z414316852 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Br Z104586672 [0,1,0,0,0,0|2,0,0]=3 144 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Cl Z104647358 [0,1,0,0,0,0|2,0,0]=3 145 B12R1.21 NC(=O)CNC1=CC=C(C=C1)I Z104728120 [0,1,0,0,0,0|2,0,0]=3 146 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br Z19725712 [0,1,0,0,0,0|2,0,0]=3 147 B12R1.21 NC(=O)COC1=CC=C(C=C1)F Z19734788 [0,1,0,0,0,0|2,0,0]=3 148 B12R1.21 NC(=O)COC1=CC=C(C=C1)I Z25086979 [0,1,0,0,0,0|2,0,0]=3 149 B12R1.21 NC(=O)COC1=CC=C(C=C1)N Z239127428 [0,1,0,0,0,0|2,0,0]=3 150 B12R1.21 NC(=O)COC1=CC=C(C=C1)O Z381414726 [0,1,0,0,0,0|2,0,0]=3 151 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Br Z18744574 [0,1,0,0,0,0|2,0,0]=3 152 B12R1.21 NC(=O)CSC1=CC=C(C=C1)F Z16034821 [0,1,0,0,0,0|2,0,0]=3 153 B12R1.21 NC(=O)NCC1=CC=C(C=C1)F Z198194834 [0,1,0,0,0,0|2,0,0]=3 154 B12R1.21 NC(=O)NCC1=CC=C(C=C1)N Z600391988 [0,1,0,0,0,0|2,0,0]=3 155 B12R1.21 NC(=S)COC1=CC=C(C=C1)Cl Z295395122 [0,1,0,0,0,0|2,1,0]=4 156 B12R1.21 NC(=S)NCC1=CC=C(C=C1)F Z111411726 [0,1,0,0,0,0|2,1,0]=4 157 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O Z56762319 [0,1,0,0,0,0|0,0,2]=3 158 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O Z336079452 [0,1,0,0,0,0|0,0,0]=1 159 B12R1.21 NC1=CC=C(C=C1)OCC(=O)O Z3241275736 [0,1,0,0,0,0|1,0,0]=2 160 B12R1.21 NC1=NC=C(C=C1)/C=C/C(=O)O Z1374884316 [0,1,0,0,0,0|1,0,2]=4 161 B12R1.21 NC1=NC=C(C=C1)CCC(=O)O Z1255384430 [0,1,0,0,0,0|1,0,0]=2 162 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Br Z2237493681 [0,1,0,0,0,0|0,0,2]=3 163 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Cl Z56989206 [0,1,0,0,0,0|0,0,2]=3 164 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)F Z2942851074 [0,1,0,0,0,0|0,0,2]=3 165 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)O Z56911963 [0,1,0,0,0,0|0,0,2]=3 166 B12R1.21 O=C(O)/C=C/C1=CN=C(C=C1)Cl Z1962225677 [0,1,0,0,0,0|1,0,2]=4 167 B12R1.21 O=C(O)/C=C/C1=CN=C(C=C1)F Z2949503127 [0,1,0,0,0,0|1,0,2]=4 168 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Br Z118438622 [0,1,0,0,0,0|0,0,0]=1 169 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Cl Z178961272 [0,1,0,0,0,0|0,0,0]=1 170 B12R1.21 O=C(O)CCC1=CC=C(C=C1)F Z89264973 [0,1,0,0,0,0|0,0,0]=1 171 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [0,1,0,0,0,0|0,0,0]=1 172 B12R1.21 O=C(O)CCC1=CN=C(C=C1)Cl Z1695923041 [0,1,0,0,0,0|1,0,0]=2 173 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 Z1889997460 [0,1,0,0,0,0|1,0,0]=2 174 B12R1.21 O=C(O)CCC1=NC=C(C=C1)Br Z1269216724 [0,1,0,0,0,0|1,0,0]=2 175 B12R1.21 O=C(O)CCC1=NC=C(C=N1)F Z1347205920 [0,1,0,0,0,0|2,0,0]=3 176 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Br Z274534708 [0,1,0,0,0,0|1,0,0]=2 177 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Cl Z274534702 [0,1,0,0,0,0|1,0,0]=2 178 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O Z57127481 [0,1,0,0,0,0|1,0,0]=2 179 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br Z56812736 [0,1,0,0,0,0|1,0,0]=2 180 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl Z57181989 [0,1,0,0,0,0|1,0,0]=2 181 B12R1.21 O=C(O)COC1=CC=C(C=C1)F Z56978034 [0,1,0,0,0,0|1,0,0]=2 182 B12R1.21 O=C(O)COC1=CC=C(C=C1)I Z56943814 [0,1,0,0,0,0|1,0,0]=2 183 B12R1.21 O=C(O)COC1=CC=C(C=C1)O Z1192367471 [0,1,0,0,0,0|1,0,0]=2 184 B12R1.21 O=C(O)COC1=NC=C(C=C1)Br Z1269227587 [0,1,0,0,0,0|2,0,0]=3 185 B12R1.21 O=C(O)COC1=NC=C(C=C1)F Z1723875084 [0,1,0,0,0,0|2,0,0]=3 186 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Br Z55903477 [0,1,0,0,0,0|1,0,0]=2 187 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Cl Z55179956 [0,1,0,0,0,0|1,0,0]=2 188 B12R1.21 O=C(O)CSC1=CC=C(C=C1)F Z55903650 [0,1,0,0,0,0|1,0,0]=2 189 B12R1.21 O=C(O)CSC1=CC=C(C=C1)O Z733878444 [0,1,0,0,0,0|1,0,0]=2 190 B12R1.21 O=C([O-])COC1=NC=C(C=C1)Cl Z3445335054 [0,1,0,0,0,0|2,0,1]=4 191 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 Z1266856412 [0,1,0,0,0,0|1,0,0]=2 192 B12R1.27 C#CC(=O)NCC1=CC=CC=C1 Z1509142729 [0,1,0,0,0,0|2,0,0]=3 193 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 Z1255365960 [0,1,0,0,0,0|2,0,0]=3 194 B12R1.27 C=C(C=O)OCC1=CC=CC=C1 Z1198183530 [0,1,0,0,0,0|2,0,0]=3 195 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 Z56757233 [0,1,0,0,0,0|2,0,0]=3 196 B12R1.27 CC(C=O)CCC1=CC=CC=C1 Z1238838034 [0,1,0,0,0,0|1,0,1]=3 197 B12R1.27 CC(CO)COC1=CC=CC=C1 Z1255385347 [0,1,0,0,0,0|2,0,1]=4 198 B12R1.27 CC(CO)OCC1=CC=CC=C1 Z1492906786 [0,1,0,0,0,0|2,0,1]=4 199 B12R1.27 CCC(N)CCC1=CC=CC=C1 Z406453862 [0,1,0,0,0,0|2,0,1]=4 200 B12R1.27 CCC(O)CCC1=CN=CC=C1 Z1233227787 [0,1,0,0,0,0|2,0,1]=4 201 B12R1.27 CCC(O)CNC1=CC=CC=C1 Z600449702 [0,1,0,0,0,0|2,0,1]=4 202 B12R1.27 CN(CCC1=CC=CC=C1)N=O Z3965372830 [0,1,0,0,0,0|2,0,0]=3 203 B12R1.27 CNC(=O)CCC1=CC=CC=C1 Z32016418 [0,1,0,0,0,0|1,0,0]=2 204 B12R1.27 CNC(=O)COC1=CC=CC=C1 Z19735428 [0,1,0,0,0,0|2,0,0]=3 205 B12R1.27 CNC(=O)CSC1=CC=CC=C1 Z19750829 [0,1,0,0,0,0|2,0,0]=3 206 B12R1.27 CNC(=O)CSC1=NC=CC=C1 Z18886255 [0,1,0,0,0,0|3,0,0]=4 207 B12R1.27 CNC(=O)OCC1=CC=CC=C1 Z32016983 [0,1,0,0,0,0|2,0,0]=3 208 B12R1.27 COC(=O)/C=C/C1=CC=CC=C1 Z19782655 [0,1,0,0,0,0|0,0,2]=3 209 B12R1.27 COC(=O)/C=C/C1=CC=NC=C1 Z3226989482 [0,1,0,0,0,0|1,0,2]=4 210 B12R1.27 COC(=O)CCC1=CC=CC=C1 Z18264384 [0,1,0,0,0,0|0,0,0]=1 211 B12R1.27 COC(=O)CCC1=CC=NC=C1 Z1198171999 [0,1,0,0,0,0|1,0,0]=2 212 B12R1.27 COC(=O)CCC1=CN=CC=C1 Z1069406844 [0,1,0,0,0,0|1,0,0]=2 213 B12R1.27 COC(=O)CCC1=CN=CN=C1 Z1551943962 [0,1,0,0,0,0|2,0,0]=3 214 B12R1.27 COC(=O)CNC1=CC=CC=C1 Z1250132387 [0,1,0,0,0,0|1,0,0]=2 215 B12R1.27 COC(=O)NNC1=CC=CC=C1 Z56755853 [0,1,0,0,0,0|2,0,0]=3 216 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 Z823499606 [0,1,0,0,0,0|2,0,1]=4 217 B12R1.27 N/C(=N\O)/CCC1=CC=CC=C1 Z285132818 [0,1,0,0,0,0|1,0,0]=2 218 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 Z104341168 [0,1,0,0,0,0|2,0,0]=3 219 B12R1.27 NCC(=O)CCC1=CC=CC=C1 Z3719299469 [0,1,0,0,0,0|1,0,0]=2 220 B12R1.27 NCC(=O)NCC1=CC=CC=C1 Z398557160 [0,1,0,0,0,0|2,0,0]=3 221 B12R1.27 NCC(=O)NCC1=CC=NC=C1 Z1262246178 [0,1,0,0,0,0|3,0,0]=4 222 B12R1.27 NCC(=O)OCC1=CC=CC=C1 Z56904671 [0,1,0,0,0,0|2,0,0]=3 223 B12R1.27 NCC(O)COC1=CC=CC=C1 Z271072310 [0,1,0,0,0,0|2,0,1]=4 224 B12R1.27 NNC(=O)CNC1=CC=CC=C1 Z56886393 [0,1,0,0,0,0|2,0,0]=3 225 B12R1.27 NNC(=S)NCC1=CC=CC=C1 Z56828396 [0,1,0,0,0,0|2,1,0]=4 226 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 Z1255432257 [0,1,0,0,0,0|1,0,0]=2 227 B12R1.27 O=C(CCl)COC1=CC=CC=C1 Z1255416714 [0,1,0,0,0,0|2,0,0]=3 228 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 Z56896328 [0,1,0,0,0,0|2,0,0]=3 229 B12R1.27 O=C(CCl)NCC1=CN=CC=C1 Z1787158603 [0,1,0,0,0,0|3,0,0]=4 230 B12R1.27 O=C(CCl)NCC1=NC=CC=C1 Z1954802789 [0,1,0,0,0,0|3,0,0]=4 231 B12R1.27 O=C(CO)NCC1=CC=CC=C1 Z228585446 [0,1,0,0,0,0|1,0,0]=2 232 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 Z1201626370 [0,1,0,0,0,0|1,0,2]=4 233 B12R1.43 C/C(=C\C1=CC=CC=C1)/C(=O)O Z2980228149 [0,1,0,0,0,0|0,0,2]=3 234 B12R1.43 C/C(=C\C1=CC=NC=C1)/C(=O)O Z2466682039 [0,1,0,0,0,0|1,0,2]=4 235 B12R1.43 C/C(=C\C1=CN=CC=C1)/C(=O)O Z2467131746 [0,1,0,0,0,0|1,0,2]=4 236 B12R1.43 C/C(=C\C1=NC=CC=C1)/C(=O)O Z2467234655 [0,1,0,0,0,0|1,0,2]=4 237 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [0,1,0,0,0,0|1,0,0]=2 238 B12R1.43 CC(=O)N(C)CC1=CN=CC=C1 Z27006526 [0,1,0,0,0,0|3,0,0]=4 239 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [0,1,0,0,0,0|0,0,0]=1 240 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Z3477804988 [0,1,0,0,0,0|1,0,0]=2 241 B12R1.43 CC(N)C(O)CC1=CC=CC=C1 Z1483956878 [0,1,0,0,0,0|2,0,1]=4 242 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O Z57982184 [0,1,0,0,0,0|1,0,0]=2 243 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O Z57825333 [0,1,0,0,0,0|1,0,0]=2 244 B12R1.43 CC(OC1=CN=CC=C1)C(=O)O Z336080820 [0,1,0,0,0,0|2,0,0]=3 245 B12R1.43 CC(OC1=NC=CC=C1)C(=O)O Z360507460 [0,1,0,0,0,0|2,0,0]=3 246 B12R1.43 CC(SC1=CC=CC=C1)C(=O)N Z19751098 [0,1,0,0,0,0|2,0,0]=3 247 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O Z90122656 [0,1,0,0,0,0|1,0,0]=2 248 B12R1.43 CC(SC1=NC=CC=C1)C(=O)N Z18886410 [0,1,0,0,0,0|3,0,0]=4 249 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O Z31250551 [0,1,0,0,0,0|2,0,0]=3 250 B12R1.43 CC(SC1=NC=CC=N1)C(=O)O Z31250552 [0,1,0,0,0,0|3,0,0]=4 251 B12R1.43 CN(CC1=CC=CC=C1)C(=O)N Z198194348 [0,1,0,0,0,0|2,0,0]=3 252 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N Z228582754 [0,1,0,0,0,0|2,1,0]=4 253 B12R1.43 CN(CC1=NC=CC=C1)C(=O)N Z431977624 [0,1,0,0,0,0|3,0,0]=4 254 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [0,1,0,0,0,0|0,0,0]=1 255 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [0,1,0,0,0,0|1,0,0]=2 256 B12R1.43 NC(=O)C(N)CC1=NC=CC=C1 Z4981909244 [0,1,0,0,0,0|2,0,0]=3 257 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [0,1,0,0,0,0|1,0,0]=2 258 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [0,1,0,0,0,0|1,0,0]=2 259 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [0,1,0,0,0,0|0,0,0]=1 260 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O Z1675026076 [0,1,0,0,0,0|1,0,0]=2 261 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O Z3235906342 [0,1,0,0,0,0|1,0,0]=2 262 B12R1.43 NC(CC1=CN=CN=C1)C(=O)O Z3697694105 [0,1,0,0,0,0|2,0,0]=3 263 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O Z3235025558 [0,1,0,0,0,0|1,0,0]=2 264 B12R1.43 NC(CC1=NC=CC=N1)C(=O)O Z2432992279 [0,1,0,0,0,0|2,0,0]=3 265 B12R1.43 NC(CC1=NC=NC=C1)C(=O)O Z2470415568 [0,1,0,0,0,0|2,0,0]=3 266 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [0,1,0,0,0,0|0,0,0]=1 267 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [0,1,0,0,0,0|0,0,0]=1 268 B12R1.43 O=C(O)/C(=C/C1=CN=CC=C1)/F Z2081677235 [0,1,0,0,0,0|1,0,2]=4 269 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 Z285151774 [0,1,0,0,0,0|0,0,1]=2 270 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 Z362848468 [0,1,0,0,0,0|1,0,1]=3 271 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [0,1,0,0,0,0|0,0,0]=1 272 B12R1.43 O=C(O)C(O)CC1=NC=CC=C1 Z3486862716 [0,1,0,0,0,0|1,0,0]=2 273 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [0,1,0,0,0,0|0,0,0]=1 274 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [0,1,0,0,0,0|0,0,0]=1 275 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 Z352748396 [0,1,0,0,0,0|0,0,2]=3 276 B12R1.107 C/C(=C\C(=O)O)/C1=CC=NC=C1 Z352748124 [0,1,0,0,0,0|1,0,2]=4 277 B12R1.107 C/C(=C\C(=O)O)/C1=CN=CC=C1 Z352748104 [0,1,0,0,0,0|1,0,2]=4 278 B12R1.107 C=C(C)CC(N)C1=CC=CC=C1 Z4497189696 [0,1,0,0,0,0|2,0,0]=3 279 B12R1.107 CC(=O)CC(=O)C1=CC=NC=C1 Z359504772 [0,1,0,0,0,0|2,0,1]=4 280 B12R1.107 CC(=O)CC(=O)C1=CN=CC=C1 Z57157128 [0,1,0,0,0,0|2,0,1]=4 281 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 Z85929891 [0,1,0,0,0,0|2,0,1]=4 282 B12R1.107 CC(CC(=O)N)C1=CC=CC=C1 Z33546734 [0,1,0,0,0,0|1,0,0]=2 283 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 Z56899204 [0,1,0,0,0,0|0,0,0]=1 284 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 Z352782496 [0,1,0,0,0,0|1,0,0]=2 285 B12R1.107 CC(N)CC(O)C1=CC=CC=C1 Z1262623600 [0,1,0,0,0,0|2,0,1]=4 286 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 Z1089996260 [0,1,0,0,0,0|3,0,0]=4 287 B12R1.107 CC(NC(=O)N)C1=CC=CC=C1 Z198194342 [0,1,0,0,0,0|2,0,0]=3 288 B12R1.107 CC(NC(=S)N)C1=CC=CC=C1 Z56913099 [0,1,0,0,0,0|2,1,0]=4 289 B12R1.107 CN(CC(=O)N)C1=CC=CC=C1 Z54747686 [0,1,0,0,0,0|2,0,0]=3 290 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z1162448842 [0,1,0,0,0,0|1,0,0]=2 291 B12R1.107 CN(CC(=O)O)C1=CC=NC=C1 Z317257814 [0,1,0,0,0,0|2,0,0]=3 292 B12R1.107 CN(CC(=O)O)C1=NC=CC=N1 Z275027154 [0,1,0,0,0,0|3,0,0]=4 293 B12R1.107 CN(CC(=O)O)C1=NC=CN=C1 Z275027150 [0,1,0,0,0,0|3,0,0]=4 294 B12R1.107 CS(=O)CC(N)C1=CC=CC=C1 Z1238793494 [0,1,0,0,0,0|2,0,0]=3 295 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 Z94601171 [0,1,0,0,0,0|0,0,0]=1 296 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 Z317027344 [0,1,0,0,0,0|1,0,0]=2 297 B12R1.107 NC(CC(F)F)C1=CC=CC=C1 Z2327568967 [0,1,0,0,0,0|2,0,1]=4 298 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 Z756925772 [0,1,0,0,0,0|0,0,0]=1 299 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 Z1696091779 [0,1,0,0,0,0|0,0,0]=1 300 B12R1.107 O=C(O)/C=C(\F)/C1=CN=CC=C1 Z4602486084 [0,1,0,0,0,0|1,0,2]=4 301 B12R1.107 O=C(O)/C=C(\I)/C1=CC=CC=C1 Z3379426714 [0,1,0,0,0,0|0,0,2]=3 302 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [0,1,0,0,0,0|0,0,0]=1 303 B12R1.107 O=C(O)NC(=O)C1=CC=CC=C1 Z56928966 [0,1,0,0,0,0|1,0,1]=3 304 B12R1.125 C=C(C)CNC1=C(C=CC=C1)Br Z297649770 [0,1,0,0,0,0|3,0,0]=4 305 B12R1.125 CC(=O)/C=C/C1=C(C=CC=C1)F Z1217226767 [0,1,0,0,0,0|1,0,2]=4 306 B12R1.125 CC(=O)CCC1=C(C=CC=C1)F Z406376954 [0,1,0,0,0,0|1,0,0]=2 307 B12R1.125 CC(=O)CSC1=C(C=CC=N1)F Z2275418544 [0,1,0,0,0,0|3,0,0]=4 308 B12R1.125 CC(=O)NCC1=C(C=CC=C1)F Z29857733 [0,1,0,0,0,0|2,0,0]=3 309 B12R1.125 CC(=O)NCC1=C(C=CC=C1)N Z3711224127 [0,1,0,0,0,0|2,0,0]=3 310 B12R1.125 CC1=C(C=CC=C1)/C=C/C(=O)O Z2417574586 [0,1,0,0,0,0|0,0,2]=3 311 B12R1.125 CC1=C(C=CC=C1)CCC(=O)O Z317037960 [0,1,0,0,0,0|0,0,0]=1 312 B12R1.125 CC1=C(C=CC=C1)NCC(=O)N Z104590676 [0,1,0,0,0,0|2,0,0]=3 313 B12R1.125 CC1=C(C=CC=C1)OCC(=N)N Z823287452 [0,1,0,0,0,0|3,0,0]=4 314 B12R1.125 CC1=C(C=CC=C1)OCC(=O)N Z19733874 [0,1,0,0,0,0|2,0,0]=3 315 B12R1.125 CC1=C(C=CC=C1)OCC(=O)O Z56820406 [0,1,0,0,0,0|1,0,0]=2 316 B12R1.125 CC1=C(C=CC=C1)SCC(=O)O Z56870728 [0,1,0,0,0,0|1,0,0]=2 317 B12R1.125 CC1=C(C=CC=N1)/C=C/C(=O)O Z2235790871 [0,1,0,0,0,0|1,0,2]=4 318 B12R1.125 CC1=C(C=CC=N1)CCC(=O)O Z3213741164 [0,1,0,0,0,0|1,0,0]=2 319 B12R1.125 CC1=C(C=CN=C1)/C=C/C(=O)O Z2235790666 [0,1,0,0,0,0|1,0,2]=4 320 B12R1.125 CC1=C(N=CC=C1)/C=C/C(=O)O Z2327040014 [0,1,0,0,0,0|1,0,2]=4 321 B12R1.125 CC1=C(N=CC=C1)CCC(=O)O Z1198279885 [0,1,0,0,0,0|1,0,0]=2 322 B12R1.125 CN(C)CCC1=C(C=CC=C1)N Z608073162 [0,1,0,0,0,0|3,0,0]=4 323 B12R1.125 N=C(N)NCC1=C(C=CC=C1)F Z3034959360 [0,1,0,0,0,0|3,0,0]=4 324 B12R1.125 N=C(N)SCC1=C(C=CC=C1)Cl Z48820396 [0,1,0,0,0,0|3,0,0]=4 325 B12R1.125 NC(=O)CCC1=C(C=CC=C1)Br Z741559968 [0,1,0,0,0,0|1,0,0]=2 326 B12R1.125 NC(=O)CCC1=C(C=CC=C1)N Z414316848 [0,1,0,0,0,0|1,0,0]=2 327 B12R1.125 NC(=O)CCC1=C(C=CC=C1)O Z371352778 [0,1,0,0,0,0|1,0,0]=2 328 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Br Z137588472 [0,1,0,0,0,0|2,0,0]=3 329 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Cl Z104528166 [0,1,0,0,0,0|2,0,0]=3 330 B12R1.125 NC(=O)CNC1=C(C=CC=C1)I Z133437412 [0,1,0,0,0,0|2,0,0]=3 331 B12R1.125 NC(=O)COC1=C(C=CC=C1)Br Z17829253 [0,1,0,0,0,0|2,0,0]=3 332 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl Z19726626 [0,1,0,0,0,0|2,0,0]=3 333 B12R1.125 NC(=O)COC1=C(C=CC=C1)F Z19724798 [0,1,0,0,0,0|2,0,0]=3 334 B12R1.125 NC(=O)COC1=C(C=CC=C1)I Z406416164 [0,1,0,0,0,0|2,0,0]=3 335 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Br Z149386624 [0,1,0,0,0,0|2,0,0]=3 336 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Cl Z18459622 [0,1,0,0,0,0|2,0,0]=3 337 B12R1.125 NC(=O)CSC1=C(C=CC=C1)N Z57332466 [0,1,0,0,0,0|2,0,0]=3 338 B12R1.125 NC(=O)NCC1=C(C=CC=C1)Cl Z198194806 [0,1,0,0,0,0|2,0,0]=3 339 B12R1.125 NC(=O)NCC1=C(C=CC=C1)F Z198194842 [0,1,0,0,0,0|2,0,0]=3 340 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Br Z2315575361 [0,1,0,0,0,0|0,0,2]=3 341 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl Z57264035 [0,1,0,0,0,0|0,0,2]=3 342 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)F Z2573655240 [0,1,0,0,0,0|0,0,2]=3 343 B12R1.125 O=C(O)/C=C/C1=C(N=CC=C1)Br Z1269170340 [0,1,0,0,0,0|1,0,2]=4 344 B12R1.125 O=C(O)/C=C/C1=C(N=CC=C1)Cl Z1201624228 [0,1,0,0,0,0|1,0,2]=4 345 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Br Z406704244 [0,1,0,0,0,0|0,0,0]=1 346 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl Z56943366 [0,1,0,0,0,0|0,0,0]=1 347 B12R1.125 O=C(O)CCC1=C(C=CC=C1)F Z57991059 [0,1,0,0,0,0|0,0,0]=1 348 B12R1.125 O=C(O)CCC1=C(C=CC=C1)O Z56347225 [0,1,0,0,0,0|0,0,0]=1 349 B12R1.125 O=C(O)CCN1C=CC=CC1=O Z240085344 [0,1,0,0,0,0|1,0,0]=2 350 B12R1.125 O=C(O)CCN1C=CC=NC1=O Z432066996 [0,1,0,0,0,0|2,0,0]=3 351 B12R1.125 O=C(O)CCN1C=NC=CC1=O Z1154745726 [0,1,0,0,0,0|2,0,0]=3 352 B12R1.125 O=C(O)CCN1N=CC=CC1=O Z1021422926 [0,1,0,0,0,0|2,0,0]=3 353 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl Z274534698 [0,1,0,0,0,0|1,0,0]=2 354 B12R1.125 O=C(O)COC1=C(C=CC=C1)Br Z111834298 [0,1,0,0,0,0|1,0,0]=2 355 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl Z57042068 [0,1,0,0,0,0|1,0,0]=2 356 B12R1.125 O=C(O)COC1=C(C=CC=C1)F Z56823442 [0,1,0,0,0,0|1,0,0]=2 357 B12R1.125 O=C(O)COC1=C(C=CC=C1)O Z56869464 [0,1,0,0,0,0|1,0,0]=2 358 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Br Z56827233 [0,1,0,0,0,0|1,0,0]=2 359 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Cl Z55903470 [0,1,0,0,0,0|1,0,0]=2 360 B12R1.125 O=C(O)CSC1=C(C=CC=C1)F Z55903942 [0,1,0,0,0,0|1,0,0]=2 361 B12R1.125 O=C(O)CSC1=C(C=CC=C1)O Z905204160 [0,1,0,0,0,0|1,0,0]=2 362 B12R1.125 O=C(O)CSC1=[N+](C=CC=C1)[O-] Z55903473 [0,1,0,0,0,0|2,0,0]=3 363 B12R1.226 CC(=O)CCC1=CC(=CC=C1)C Z406376778 [0,1,0,0,0,0|1,0,0]=2 364 B12R1.226 CC(=O)CCC1=CC(=CC=C1)F Z406376716 [0,1,0,0,0,0|1,0,0]=2 365 B12R1.226 CC(=O)NCC1=CC(=CC=C1)Br Z340632658 [0,1,0,0,0,0|2,0,0]=3 366 B12R1.226 CC(=O)NCC1=CC(=CC=C1)F Z340527618 [0,1,0,0,0,0|2,0,0]=3 367 B12R1.226 CC(=O)NNC1=CC(=CC=C1)C Z30552180 [0,1,0,0,0,0|3,0,0]=4 368 B12R1.226 CC(N)CCC1=CC(=CC=C1)F Z406452418 [0,1,0,0,0,0|2,0,1]=4 369 B12R1.226 CC(O)COC1=CC(=CC=C1)F Z854226860 [0,1,0,0,0,0|2,0,1]=4 370 B12R1.226 CC1=CC(=CC=C1)/C=C/C(=O)O Z2942851787 [0,1,0,0,0,0|0,0,2]=3 371 B12R1.226 CC1=CC(=CC=C1)CCC(=O)N Z194976514 [0,1,0,0,0,0|1,0,0]=2 372 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O Z169993866 [0,1,0,0,0,0|0,0,0]=1 373 B12R1.226 CC1=CC(=CC=C1)CNC(=S)N Z847147370 [0,1,0,0,0,0|2,1,0]=4 374 B12R1.226 CC1=CC(=CC=C1)CSC(=N)N Z57992123 [0,1,0,0,0,0|3,0,0]=4 375 B12R1.226 CC1=CC(=CC=C1)NCC(=O)N Z104589324 [0,1,0,0,0,0|2,0,0]=3 376 B12R1.226 CC1=CC(=CC=C1)OCC(=O)N Z19732960 [0,1,0,0,0,0|2,0,0]=3 377 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O Z56899056 [0,1,0,0,0,0|1,0,0]=2 378 B12R1.226 CC1=CC(=CC=C1)SCC(=O)O Z778642574 [0,1,0,0,0,0|1,0,0]=2 379 B12R1.226 CC1=CC(=CN=C1)/C=C/C(=O)O Z1473962891 [0,1,0,0,0,0|1,0,2]=4 380 B12R1.226 CC1=NC(=NC=C1)SCC(=O)O Z55903468 [0,1,0,0,0,0|3,0,0]=4 381 B12R1.226 CC1=NC=NC(=C1)NCC(=O)O Z314662014 [0,1,0,0,0,0|3,0,0]=4 382 B12R1.226 N=C(N)SCC1=CC(=CC=C1)F Z48820172 [0,1,0,0,0,0|3,0,0]=4 383 B12R1.226 NC(=O)CCC1=CC(=CC=C1)N Z414316850 [0,1,0,0,0,0|1,0,0]=2 384 B12R1.226 NC(=O)CNC1=CC(=CC=C1)Br Z104587998 [0,1,0,0,0,0|2,0,0]=3 385 B12R1.226 NC(=O)CNC1=CC(=CC=C1)F Z104640682 [0,1,0,0,0,0|2,0,0]=3 386 B12R1.226 NC(=O)COC1=CC(=CC=C1)F Z19755608 [0,1,0,0,0,0|2,0,0]=3 387 B12R1.226 NC(=O)COC1=CC(=CC=C1)I Z25076202 [0,1,0,0,0,0|2,0,0]=3 388 B12R1.226 NC(=O)COC1=CC(=CC=C1)N Z235344273 [0,1,0,0,0,0|2,0,0]=3 389 B12R1.226 NC(=O)COC1=CC(=CC=C1)O Z381415558 [0,1,0,0,0,0|2,0,0]=3 390 B12R1.226 NC(=O)NCC1=CC(=CC=C1)F Z362629554 [0,1,0,0,0,0|2,0,0]=3 391 B12R1.226 NC1=CC(=CC=C1)/C=C/C(=O)O Z2942853438 [0,1,0,0,0,0|0,0,2]=3 392 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Br Z2312942093 [0,1,0,0,0,0|0,0,2]=3 393 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Cl Z2573655238 [0,1,0,0,0,0|0,0,2]=3 394 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)F Z2935925467 [0,1,0,0,0,0|0,0,2]=3 395 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)O Z247613734 [0,1,0,0,0,0|0,0,2]=3 396 B12R1.226 O=C(O)/C=C/C1=CC(=CN=C1)F Z2587702979 [0,1,0,0,0,0|1,0,2]=4 397 B12R1.226 O=C(O)/C=C/C1=CC(=CN=C1)O Z1518653071 [0,1,0,0,0,0|1,0,2]=4 398 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)Br Z1269228386 [0,1,0,0,0,0|1,0,2]=4 399 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)Cl Z1255503510 [0,1,0,0,0,0|1,0,2]=4 400 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)O Z2633787192 [0,1,0,0,0,0|1,0,2]=4 401 B12R1.226 O=C(O)/C=C/C1=NC(=CC=C1)Cl Z1255503511 [0,1,0,0,0,0|1,0,2]=4 402 B12R1.226 O=C(O)C#CC1=CC(=CC=C1)Cl Z1143242523 [0,1,0,0,0,0|0,0,2]=3 403 B12R1.226 O=C(O)CCC1=CC(=CC=C1)Br Z56943439 [0,1,0,0,0,0|0,0,0]=1 404 B12R1.226 O=C(O)CCC1=CC(=CC=C1)F Z185153196 [0,1,0,0,0,0|0,0,0]=1 405 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [0,1,0,0,0,0|0,0,0]=1 406 B12R1.226 O=C(O)CCC1=CC(=CN=C1)F Z1262517660 [0,1,0,0,0,0|1,0,0]=2 407 B12R1.226 O=C(O)CCC1=CC(=CN=C1)O Z1504676734 [0,1,0,0,0,0|1,0,0]=2 408 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl Z274534700 [0,1,0,0,0,0|1,0,0]=2 409 B12R1.226 O=C(O)COC1=CC(=CC=C1)Br Z56812737 [0,1,0,0,0,0|1,0,0]=2 410 B12R1.226 O=C(O)COC1=CC(=CC=C1)Cl Z57008935 [0,1,0,0,0,0|1,0,0]=2 411 B12R1.226 O=C(O)COC1=CC(=CN=C1)Br Z1206892989 [0,1,0,0,0,0|2,0,0]=3 412 B12R1.226 O=C(O)COC1=NC(=CN=C1)Cl Z1262560152 [0,1,0,0,0,0|3,0,0]=4 413 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Br Z255149890 [0,1,0,0,0,0|1,0,0]=2 414 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Cl Z994465872 [0,1,0,0,0,0|1,0,0]=2 415 B12R1.226 O=C(O)CSC1=CC(=CC=C1)F Z1198220671 [0,1,0,0,0,0|1,0,0]=2 416 B12R1.226 O=C(O)CSC1=CC(=CC=C1)O Z1262555002 [0,1,0,0,0,0|1,0,0]=2 417 B12R1.891 CC(C)(N)CCC1=CC=CC=C1 Z1263529573 [0,1,0,0,0,0|2,0,1]=4 418 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 Z513713254 [0,1,0,0,0,0|1,0,1]=3 419 B12R1.891 CC(C)(O)COC1=CC=CC=C1 Z600459798 [0,1,0,0,0,0|2,0,1]=4 420 B12R1.891 CS(=O)(=O)NCC1=CC=CC=C1 Z53825161 [0,1,0,0,0,0|2,0,1]=4 421 B12R1.891 NS(=O)(=O)CCC1=CC=CC=C1 Z57965898 [0,1,0,0,0,0|1,0,1]=3 422 B12R1.891 NS(=O)(=O)NCC1=CC=CC=C1 Z300098430 [0,1,0,0,0,0|2,0,1]=4 423 B12R1.891 O=S(=O)(F)CCC1=CC=CC=C1 Z1258763618 [0,1,0,0,0,0|1,0,1]=3 424 B12R2.22 N[C@H]1C[C@@H](C1)C2=CC=CC=C2 Z2301685436 [0,0,0,1,0,0|2,0,1]=4 425 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 Z336080338 [0,0,0,1,0,0|1,0,0]=2 426 B12R2.22 O=C1CC(N1)C2=CC=CC=C2 Z367677412 [0,0,0,1,0,0|1,0,0]=2 427 B12R2.22 OC1CC(C1)C2=CC=CC=C2 Z501748204 [0,0,0,1,0,0|1,0,1]=3 428 B12R2.22 O[C@H]1C[C@H](C1)C2=CC=CC=C2 Z1504675336 [0,0,0,1,0,0|1,0,1]=3 429 B12R2.24 CC1=NC2=C(C=CC=C2)SC1 Z2895174345 [0,0,0,1,0,0|3,0,0]=4 430 B12R2.24 CC1CNC2=C(O1)C=CC=C2 Z1165160777 [0,0,0,1,0,0|2,0,1]=4 431 B12R2.24 NC1=NC2=C(C=CC=C2)CS1 Z1198725303 [0,0,0,1,0,0|3,0,0]=4 432 B12R2.24 NC1CCC2=C(C1)C=CC=C2 Z992716772 [0,0,0,1,0,0|2,0,1]=4 433 B12R2.24 O=C1C=C2C=CC=CC2=CN1 Z1203731786 [0,0,0,1,0,0|2,0,1]=4 434 B12R2.24 O=C1C=CC2=C(N1)C=CC=C2 Z57473020 [0,0,0,1,0,0|1,0,2]=4 435 B12R2.24 O=C1C=CC2=C(O1)C=CC=C2 Z57169486 [0,0,0,1,0,0|0,0,2]=3 436 B12R2.24 O=C1C=NC2=C(N1)C=CC=C2 Z56824051 [0,0,0,1,0,0|2,0,1]=4 437 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 Z1201622353 [0,0,0,1,0,0|2,0,0]=3 438 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 Z1255486033 [0,0,0,1,0,0|2,0,0]=3 439 B12R2.24 O=C1CCC2=C(C1)C=CC=C2 Z104495562 [0,0,0,1,0,0|1,0,0]=2 440 B12R2.24 O=C1CCC2=C(N1)C=CC=C2 Z85917566 [0,0,0,1,0,0|1,0,0]=2 441 B12R2.24 O=C1CCC2=C(O1)C=CC=C2 Z586249466 [0,0,0,1,0,0|0,0,0]=1 442 B12R2.24 O=C1CNC2=C(N1)C=CC=C2 Z56990723 [0,0,0,1,0,0|2,0,0]=3 443 B12R2.24 O=C1CNC2=C(N1)C=CC=N2 Z1142668508 [0,0,0,1,0,0|3,0,0]=4 444 B12R2.24 O=C1CNC2=C(N1)C=NC=C2 Z916962704 [0,0,0,1,0,0|3,0,0]=4 445 B12R2.24 O=C1COC2=C(N1)C=CC=C2 Z56989567 [0,0,0,1,0,0|2,0,0]=3 446 B12R2.24 O=C1COC2=C(N1)C=CC=N2 Z1198157043 [0,0,0,1,0,0|3,0,0]=4 447 B12R2.24 O=C1COC2=C(N1)C=NC=C2 Z1198175968 [0,0,0,1,0,0|3,0,0]=4 448 B12R2.24 O=C1COC2=C(N1)N=CC=C2 Z1255378941 [0,0,0,1,0,0|3,0,0]=4 449 B12R2.24 O=C1CSC2=C(N1)C=CC=C2 Z55120717 [0,0,0,1,0,0|2,0,0]=3 450 B12R2.24 O=C1CSC2=C(N1)C=NC=C2 Z1354601902 [0,0,0,1,0,0|3,0,0]=4 451 B12R2.24 O=C1CSC2=C(N1)N=CC=C2 Z2872690909 [0,0,0,1,0,0|3,0,0]=4 452 B12R2.24 O=C1N=CC2=C(N1)C=CC=C2 Z1198176626 [0,0,0,1,0,0|2,0,1]=4 453 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 Z1198157416 [0,0,0,1,0,0|2,0,0]=3 454 B12R2.24 O=C1NCC2=C(N1)C=NC=C2 Z4560521307 [0,0,0,1,0,0|3,0,0]=4 455 B12R2.24 O=C1NCC2=C(O1)C=CC=C2 Z1198723657 [0,0,0,1,0,0|1,0,0]=2 456 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 Z57127515 [0,0,0,1,0,0|1,0,2]=4 457 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 Z1255419538 [0,0,0,1,0,0|2,0,1]=4 458 B12R2.24 OC1CCC2=C(C1)C=CC=C2 Z445987178 [0,0,0,1,0,0|1,0,1]=3 459 B12R2.24 OC1CNC2=C(C1)C=CC=C2 Z1198341064 [0,0,0,1,0,0|2,0,1]=4 460 B12R2.24 S=C1NC2=C(C=CC=C2)CS1 Z367678726 [0,0,0,1,0,0|2,1,0]=4 461 B12R2.2057 C1=CC=C(C=C1)CCC2CO2 Z1033258586 [0,0,0,1,0,0|1,0,1]=3 462 B12R2.2057 C1=CC=C(C=C1)OCC2CO2 Z57358969 [0,0,0,1,0,0|2,0,1]=4 463 B12R2.2057 C1=CC=C(C=C1)SCC2CO2 Z330820010 [0,0,0,1,0,0|2,0,1]=4 464 B12R2.2403 CC1(CCC2=C1C=CC=C2)N Z449371306 [0,0,0,1,0,0|2,0,1]=4 465 B12R2.2403 CC1(CCC2=C1C=CC=C2)O Z449370928 [0,0,0,1,0,0|1,0,1]=3 466 B12R2.2403 N=S1(=O)CCC2=C1C=CC=C2 Z2514148544 [0,0,0,1,0,0|2,0,0]=3 467 B12R2.2403 O=S1(=O)NCC2=C1C=CC=C2 Z1198162686 [0,0,0,1,0,0|2,0,1]=4 468 B12R2.3190 N=C(N)C1CC2=C1C=CC=C2 Z1613477992 [0,0,0,1,0,0|2,0,0]=3 469 B10R1.18 CC(=O)CC1=CC=NC=C1 Z992409812 [0,0,0,0,1,0|2,0,0]=3 470 B10R1.18 CC(=O)CC1=NC=CN=C1 Z1098219337 [0,0,0,0,1,0|3,0,0]=4 471 B10R1.18 CC(=O)NC1=CC=CC=C1 Z27782600 [0,0,0,0,1,0|2,0,0]=3 472 B10R1.18 CC(=O)NC1=CN=CC=C1 Z31791378 [0,0,0,0,1,0|3,0,0]=4 473 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [0,0,0,0,1,0|2,0,1]=4 474 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [0,0,0,0,1,0|1,0,1]=3 475 B10R1.18 CC(O)CC1=CC=NC=C1 Z992409872 [0,0,0,0,1,0|2,0,1]=4 476 B10R1.18 CC(O)CC1=NC=CC=C1 Z513750714 [0,0,0,0,1,0|2,0,1]=4 477 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [0,0,0,0,1,0|2,0,0]=3 478 B10R1.18 N=C(N)CC1=CC=NC=C1 Z2441004470 [0,0,0,0,1,0|3,0,0]=4 479 B10R1.18 N=C(N)CC1=CN=CC=C1 Z2350941593 [0,0,0,0,1,0|3,0,0]=4 480 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [0,0,0,0,1,0|1,0,0]=2 481 B10R1.18 NC(=O)CC1=CC=NC=C1 Z234895093 [0,0,0,0,1,0|2,0,0]=3 482 B10R1.18 NC(=O)CC1=CN=CN=C1 Z1203583458 [0,0,0,0,1,0|3,0,0]=4 483 B10R1.18 NC(=O)NC1=NC=CC=C1 Z208358454 [0,0,0,0,1,0|3,0,0]=4 484 B10R1.18 NC(=O)OC1=CC=CC=C1 Z33547080 [0,0,0,0,1,0|2,0,0]=3 485 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [0,0,0,0,1,0|1,1,0]=3 486 B10R1.18 NC(=S)NC1=CC=CC=C1 Z57474172 [0,0,0,0,1,0|2,1,0]=4 487 B10R1.18 O=C(O)CC1=CC=NC=C1 Z271099418 [0,0,0,0,1,0|1,0,0]=2 488 B10R1.18 O=C(O)CC1=CN=CC=C1 Z285131558 [0,0,0,0,1,0|1,0,0]=2 489 B10R1.18 O=C(O)CC1=CN=CN=C1 Z1889902548 [0,0,0,0,1,0|2,0,0]=3 490 B10R1.18 O=S(O)CC1=CC=CC=C1 Z3211806022 [0,0,0,0,1,0|1,0,0]=2 491 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 Z995236210 [0,0,0,0,1,0|1,0,1]=3 492 B10R1.18 OB(O)CC1=CC=CC=C1 Z1147227831 [0,0,0,0,1,0|1,0,1]=3 493 B10R1.66 CC(=O)CCC1=CSC=C1 Z444869186 [0,0,0,0,1,0|2,0,0]=3 494 B10R1.66 CC(=O)CCN1C=CC=N1 Z362119622 [0,0,0,0,1,0|3,0,0]=4 495 B10R1.66 CC(=O)NCC1=CC=CO1 Z31407850 [0,0,0,0,1,0|3,0,0]=4 496 B10R1.66 CC(=O)NCC1=CC=CS1 Z29693692 [0,0,0,0,1,0|3,0,0]=4 497 B10R1.66 NC(=O)NCC1=CC=CO1 Z56900771 [0,0,0,0,1,0|3,0,0]=4 498 B10R1.66 NC(=O)NCC1=CC=CS1 Z108576590 [0,0,0,0,1,0|3,0,0]=4 499 B10R1.66 O=C(O)/C=C/C1=CC=CN1 Z1198166880 [0,0,0,0,1,0|1,0,2]=4 500 B10R1.66 O=C(O)/C=C/C1=CC=CO1 Z2311574202 [0,0,0,0,1,0|1,0,2]=4 501 B10R1.66 O=C(O)/C=C/C1=CC=CS1 Z56855126 [0,0,0,0,1,0|1,0,2]=4 502 B10R1.66 O=C(O)/C=C/C1=CNC=C1 Z1203733427 [0,0,0,0,1,0|1,0,2]=4 503 B10R1.66 O=C(O)/C=C/C1=CSC=C1 Z2417572197 [0,0,0,0,1,0|1,0,2]=4 504 B10R1.66 O=C(O)CCC1=CC=CS1 Z57052863 [0,0,0,0,1,0|1,0,0]=2 505 B10R1.66 O=C(O)CCC1=CC=NN1 Z3063833168 [0,0,0,0,1,0|2,0,0]=3 506 B10R1.66 O=C(O)CCC1=CN=CO1 Z1255388483 [0,0,0,0,1,0|2,0,0]=3 507 B10R1.66 O=C(O)CCC1=CNC=N1 Z1770193418 [0,0,0,0,1,0|2,0,0]=3 508 B10R1.66 O=C(O)CCC1=CNN=C1 Z2251841401 [0,0,0,0,1,0|2,0,0]=3 509 B10R1.66 O=C(O)CCC1=CNN=N1 Z2235677946 [0,0,0,0,1,0|3,0,0]=4 510 B10R1.66 O=C(O)CCC1=COC=C1 Z1098234501 [0,0,0,0,1,0|1,0,0]=2 511 B10R1.66 O=C(O)CCC1=CON=C1 Z1205656268 [0,0,0,0,1,0|2,0,0]=3 512 B10R1.66 O=C(O)CCC1=CSC=C1 Z85923469 [0,0,0,0,1,0|1,0,0]=2 513 B10R1.66 O=C(O)CCC1=CSC=N1 Z381407422 [0,0,0,0,1,0|2,0,0]=3 514 B10R1.66 O=C(O)CCC1=NC=CN1 Z1913661002 [0,0,0,0,1,0|2,0,0]=3 515 B10R1.66 O=C(O)CCC1=NC=CS1 Z381407426 [0,0,0,0,1,0|2,0,0]=3 516 B10R1.66 O=C(O)CCC1=NN=CN1 Z1350606441 [0,0,0,0,1,0|3,0,0]=4 517 B10R1.66 O=C(O)CCC1=NN=CS1 Z4302498044 [0,0,0,0,1,0|3,0,0]=4 518 B10R1.66 O=C(O)CCC1=NOC=C1 Z1198279853 [0,0,0,0,1,0|2,0,0]=3 519 B10R1.66 O=C(O)CCN1C=CC=C1 Z245326706 [0,0,0,0,1,0|1,0,0]=2 520 B10R1.66 O=C(O)CCN1C=CC=N1 Z220346786 [0,0,0,0,1,0|2,0,0]=3 521 B10R1.66 O=C(O)CCN1C=CN=C1 Z53111117 [0,0,0,0,1,0|2,0,0]=3 522 B10R1.66 O=C(O)CCN1C=NC=N1 Z220616946 [0,0,0,0,1,0|3,0,0]=4 523 B10R1.66 O=C(O)CNC1=NC=CS1 Z316100440 [0,0,0,0,1,0|3,0,0]=4 524 B10R1.66 O=C(O)COC1=CNN=C1 Z5592134655 [0,0,0,0,1,0|3,0,0]=4 525 B10R1.66 O=C(O)COC1=CSC=C1 Z1262541445 [0,0,0,0,1,0|2,0,0]=3 526 B10R1.66 O=C(O)COC1=NSC=C1 Z2787069249 [0,0,0,0,1,0|3,0,0]=4 527 B10R1.66 O=C(O)CSC1=CNN=C1 Z5060816295 [0,0,0,0,1,0|3,0,0]=4 528 B10R1.66 O=C(O)CSC1=NC=CS1 Z295404488 [0,0,0,0,1,0|3,0,0]=4 529 B10R1.66 O=[N+]([O-])CCC1=CSC=C1 Z1688405404 [0,0,0,0,1,0|2,0,1]=4 530 B12R1.252 CC(=O)CCCC1=CN=CC=C1 Z1255405032 [0,0,0,0,0,1|2,0,0]=3 531 B12R1.252 CC(=O)CSCC1=NC=CC=N1 Z1838380902 [0,0,0,0,0,1|3,0,0]=4 532 B12R1.252 CC(=O)NCCC1=CC=CC=C1 Z27761567 [0,0,0,0,0,1|1,0,0]=2 533 B12R1.252 CC(=O)NCCC1=CC=NC=C1 Z1198165525 [0,0,0,0,0,1|2,0,0]=3 534 B12R1.252 CC(=O)NCCC1=NC=CC=C1 Z32445986 [0,0,0,0,0,1|2,0,0]=3 535 B12R1.252 CC(=O)NCCC1=NC=CN=C1 Z1509178080 [0,0,0,0,0,1|3,0,0]=4 536 B12R1.252 CC(=O)NNCC1=CC=CC=C1 Z1726022904 [0,0,0,0,0,1|2,0,0]=3 537 B12R1.252 CC(N)COCC1=CC=CC=C1 Z271012730 [0,0,0,0,0,1|2,0,1]=4 538 B12R1.252 CC(O)CCCC1=CN=CC=C1 Z1322050465 [0,0,0,0,0,1|2,0,1]=4 539 B12R1.252 CC(O)CNCC1=CC=CC=C1 Z57326978 [0,0,0,0,0,1|1,0,1]=3 540 B12R1.252 CN(C)CCCC1=CC=CC=C1 Z204698992 [0,0,0,0,0,1|3,0,0]=4 541 B12R1.252 CN(C)CCNC1=CC=CC=C1 Z335250304 [0,0,0,0,0,1|3,0,0]=4 542 B12R1.252 FC(F)CNCC1=CC=CC=C1 Z608352166 [0,0,0,0,0,1|2,0,1]=4 543 B12R1.252 N=C(N)COCC1=CC=CC=C1 Z2574925846 [0,0,0,0,0,1|2,0,0]=3 544 B12R1.252 N=C(N)CSCC1=CC=CC=C1 Z1795818268 [0,0,0,0,0,1|2,0,0]=3 545 B12R1.252 N=C(N)NCCC1=NC=CC=C1 Z1089995406 [0,0,0,0,0,1|3,0,0]=4 546 B12R1.252 NC(=O)CCNC1=CC=CC=C1 Z154666194 [0,0,0,0,0,1|1,0,0]=2 547 B12R1.252 NC(=O)CCOC1=CC=CC=C1 Z33545291 [0,0,0,0,0,1|1,0,0]=2 548 B12R1.252 NC(=O)CCSC1=CC=CC=C1 Z33547211 [0,0,0,0,0,1|1,0,0]=2 549 B12R1.252 NC(=O)CCSC1=NC=CC=N1 Z102922430 [0,0,0,0,0,1|3,0,0]=4 550 B12R1.252 NC(=O)CNCC1=CC=CC=C1 Z90608463 [0,0,0,0,0,1|1,0,0]=2 551 B12R1.252 NC(=O)CNCC1=CN=CC=C1 Z1695669950 [0,0,0,0,0,1|2,0,0]=3 552 B12R1.252 NC(=O)COCC1=CC=CC=C1 Z52214418 [0,0,0,0,0,1|1,0,0]=2 553 B12R1.252 NC(=O)NCCC1=CC=CC=C1 Z198194788 [0,0,0,0,0,1|1,0,0]=2 554 B12R1.252 NC(=O)NCCC1=CN=CC=C1 Z432778234 [0,0,0,0,0,1|2,0,0]=3 555 B12R1.252 NC(=O)NCCC1=NC=CC=C1 Z198194814 [0,0,0,0,0,1|2,0,0]=3 556 B12R1.252 NC(=O)NOCC1=CC=CC=C1 Z56787772 [0,0,0,0,0,1|2,0,0]=3 557 B12R1.252 NC(=S)NCCC1=CC=CC=C1 Z56933803 [0,0,0,0,0,1|1,1,0]=3 558 B12R1.252 O=C(O)/C=C/SC1=CC=CC=C1 Z104378002 [0,0,0,0,0,1|0,0,2]=3 559 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 Z976639296 [0,0,0,0,0,1|0,0,1]=2 560 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [0,0,0,0,0,1|0,0,0]=1 561 B12R1.252 O=C(O)CCCC1=CC=NC=C1 Z2106608658 [0,0,0,0,0,1|1,0,0]=2 562 B12R1.252 O=C(O)CCCC1=NC=CC=C1 Z1259273117 [0,0,0,0,0,1|1,0,0]=2 563 B12R1.252 O=C(O)CCCC1=NC=CN=C1 Z1262554933 [0,0,0,0,0,1|2,0,0]=3 564 B12R1.252 O=C(O)CCNC1=CC=CC=C1 Z56899128 [0,0,0,0,0,1|0,0,0]=1 565 B12R1.252 O=C(O)CCNC1=NC=CC=C1 Z285820166 [0,0,0,0,0,1|1,0,0]=2 566 B12R1.252 O=C(O)CCNC1=NC=CC=N1 Z246310120 [0,0,0,0,0,1|2,0,0]=3 567 B12R1.252 O=C(O)CCOC1=CC=CC=C1 Z56854475 [0,0,0,0,0,1|0,0,0]=1 568 B12R1.252 O=C(O)CCOC1=CN=CC=C1 Z336080826 [0,0,0,0,0,1|1,0,0]=2 569 B12R1.252 O=C(O)CCSC1=CC=CC=C1 Z56821538 [0,0,0,0,0,1|0,0,0]=1 570 B12R1.252 O=C(O)CCSC1=NC=CC=C1 Z102927312 [0,0,0,0,0,1|1,0,0]=2 571 B12R1.252 O=C(O)CCSC1=NC=CC=N1 Z102922408 [0,0,0,0,0,1|2,0,0]=3 572 B12R1.252 O=C(O)CNCC1=CN=CC=C1 Z372854000 [0,0,0,0,0,1|1,0,0]=2 573 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z1259041052 [0,0,0,0,0,1|1,0,0]=2 574 B12R1.252 O=C(O)COCC1=CC=NC=C1 Z1262561205 [0,0,0,0,0,1|1,0,0]=2 575 B12R1.252 O=C(O)COCC1=CN=CC=C1 Z1262555665 [0,0,0,0,0,1|1,0,0]=2 576 B12R1.252 O=C(O)COCC1=NC=CC=C1 Z1262528420 [0,0,0,0,0,1|1,0,0]=2 577 B12R1.252 O=C(O)CSCC1=CC=CC=C1 Z19691777 [0,0,0,0,0,1|0,0,0]=1 578 B12R1.252 O=C(O)CSCC1=CC=NC=C1 Z228589362 [0,0,0,0,0,1|1,0,0]=2 579 B12R1.252 O=C(O)CSCC1=CN=CC=C1 Z228589228 [0,0,0,0,0,1|1,0,0]=2 580 B12R1.252 O=C(O)CSCC1=NC=CC=C1 Z228589018 [0,0,0,0,0,1|1,0,0]=2 581 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [2,0,0,0,0,0|0,0,1]=3 582 B9R1.8 CCCC1=NC=CC=C1 Z1255434741 [2,0,0,0,0,0|1,0,1]=4 583 B9R1.8 CCNC1=CC=CC=C1 Z104472482 [2,0,0,0,0,0|1,0,1]=4 584 B9R1.8 NCCC1=CC=NC=C1 Z241056520 [2,0,0,0,0,0|2,0,0]=4 585 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [2,0,0,0,0,0|2,0,0]=4 586 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [2,0,0,0,0,0|2,0,0]=4 587 B9R1.8 NNCC1=CC=CC=C1 Z56969306 [2,0,0,0,0,0|2,0,0]=4 588 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [2,0,0,0,0,0|2,0,0]=4 589 B9R1.8 O=CCC1=CC=CC=C1 Z104472146 [2,0,0,0,0,0|0,0,0]=2 590 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [2,0,0,0,0,0|0,0,0]=2 591 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [2,0,0,0,0,0|1,0,0]=3 592 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [2,0,0,0,0,0|1,0,0]=3 593 B9R1.8 OCCC1=NC=CN=C1 Z234895105 [2,0,0,0,0,0|2,0,0]=4 594 B9R1.8 OCCC1=NC=NC=C1 Z1250886882 [2,0,0,0,0,0|2,0,0]=4 595 B11R1.1 C=CCOC1=CC=C(C=C1)O Z381414818 [1,1,0,0,0,0|2,0,0]=4 596 B11R1.1 CC1=CC=C(C=C1)CCCN Z4639316723 [1,1,0,0,0,0|1,0,1]=4 597 B11R1.1 CC1=CC=C(C=C1)SCCO Z149178580 [1,1,0,0,0,0|1,0,1]=4 598 B11R1.1 CC1=NC=C(C=C1)CCC=O Z1233208116 [1,1,0,0,0,0|1,0,0]=3 599 B11R1.1 CCCCC1=CC=C(C=C1)N Z104475500 [1,1,0,0,0,0|1,0,1]=4 600 B11R1.1 CNCCC1=CC=C(C=C1)Br Z385447024 [1,1,0,0,0,0|2,0,0]=4 601 B11R1.1 CNCCC1=CC=C(C=C1)C Z5115849578 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.1 CNCCC1=CC=C(C=C1)Cl Z1623872266 [1,1,0,0,0,0|2,0,0]=4 603 B11R1.1 CNCCC1=CC=C(C=C1)F Z138454998 [1,1,0,0,0,0|2,0,0]=4 604 B11R1.1 COCCC1=CC=C(C=C1)Br Z299596190 [1,1,0,0,0,0|2,0,0]=4 605 B11R1.1 COCCC1=CC=C(C=C1)Cl Z1470894103 [1,1,0,0,0,0|2,0,0]=4 606 B11R1.1 COCCC1=CC=C(C=C1)O Z104485614 [1,1,0,0,0,0|2,0,0]=4 607 B11R1.1 CSCCC1=CC=C(C=C1)N Z732207426 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.1 N#CCCC1=CC=C(C=C1)N Z4750298565 [1,1,0,0,0,0|1,0,1]=4 609 B11R1.1 NC1=CC=C(C=C1)OCCO Z332379386 [1,1,0,0,0,0|1,0,1]=4 610 B11R1.1 NCCCC1=CC=C(C=C1)Br Z3980240042 [1,1,0,0,0,0|1,0,1]=4 611 B11R1.1 NCCCC1=CC=C(C=C1)Cl Z992716848 [1,1,0,0,0,0|1,0,1]=4 612 B11R1.1 NCCCC1=CC=C(C=C1)F Z3244753845 [1,1,0,0,0,0|1,0,1]=4 613 B11R1.1 NCCCC1=CC=C(C=C1)N Z5453008768 [1,1,0,0,0,0|1,0,1]=4 614 B11R1.1 NCCCC1=CC=C(C=C1)O Z1270210797 [1,1,0,0,0,0|1,0,1]=4 615 B11R1.1 O=C/C=C/C1=CC=C(C=C1)Br Z1269187977 [1,1,0,0,0,0|0,0,2]=4 616 B11R1.1 O=C/C=C/C1=CC=C(C=C1)Cl Z2242062296 [1,1,0,0,0,0|0,0,2]=4 617 B11R1.1 O=C/C=C/C1=CC=C(C=C1)F Z2768202189 [1,1,0,0,0,0|0,0,2]=4 618 B11R1.1 O=CCCC1=CC=C(C=C1)Br Z993017756 [1,1,0,0,0,0|0,0,0]=2 619 B11R1.1 O=CCCC1=CC=C(C=C1)Cl Z993017742 [1,1,0,0,0,0|0,0,0]=2 620 B11R1.1 O=CCCC1=CC=C(C=C1)F Z993017748 [1,1,0,0,0,0|0,0,0]=2 621 B11R1.1 O=CCOC1=CC=C(C=C1)F Z854102568 [1,1,0,0,0,0|1,0,0]=3 622 B11R1.1 O=CCSC1=CC=C(C=C1)F Z854102782 [1,1,0,0,0,0|1,0,0]=3 623 B11R1.1 OCCCC1=CC=C(C=C1)F Z992949550 [1,1,0,0,0,0|0,0,1]=3 624 B11R1.1 OCCNC1=CC=C(C=C1)Br Z335275406 [1,1,0,0,0,0|1,0,1]=4 625 B11R1.1 OCCOC1=CC=C(C=C1)Br Z335092354 [1,1,0,0,0,0|1,0,1]=4 626 B11R1.1 OCCOC1=CC=C(C=C1)O Z381414946 [1,1,0,0,0,0|1,0,1]=4 627 B11R1.1 OCCSC1=CC=C(C=C1)Br Z149190682 [1,1,0,0,0,0|1,0,1]=4 628 B11R1.1 OCCSC1=CC=C(C=C1)Cl Z149162370 [1,1,0,0,0,0|1,0,1]=4 629 B11R1.16 C#CCC(O)C1=CC=CC=C1 Z932373338 [1,1,0,0,0,0|1,0,1]=4 630 B11R1.16 C=CCC(N)C1=CC=NC=C1 Z1268152401 [1,1,0,0,0,0|2,0,0]=4 631 B11R1.16 CC(CC#N)C1=CC=CC=C1 Z1251357056 [1,1,0,0,0,0|1,0,1]=4 632 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [1,1,0,0,0,0|0,0,0]=2 633 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [1,1,0,0,0,0|1,0,1]=4 634 B11R1.16 CN(CCO)C1=CC=CC=C1 Z138702688 [1,1,0,0,0,0|1,0,1]=4 635 B11R1.16 CNCC(C)C1=CC=CC=C1 Z57797325 [1,1,0,0,0,0|2,0,0]=4 636 B11R1.16 COCC(N)C1=CC=CC=C1 Z271013088 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.16 CSCC(N)C1=CC=CC=C1 Z995116260 [1,1,0,0,0,0|2,0,0]=4 638 B11R1.16 N#CCC(N)C1=CC=CC=C1 Z1415893991 [1,1,0,0,0,0|1,0,1]=4 639 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [1,1,0,0,0,0|0,0,1]=3 640 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [1,1,0,0,0,0|1,0,1]=4 641 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [1,1,0,0,0,0|1,0,1]=4 642 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [1,1,0,0,0,0|1,0,1]=4 643 B11R1.17 C=CCSC1=C(C=CC=C1)N Z89272864 [1,1,0,0,0,0|2,0,0]=4 644 B11R1.17 CC1=C(C=CC=C1)CCCN Z424782962 [1,1,0,0,0,0|1,0,1]=4 645 B11R1.17 CC1=C(C=CC=C1)CCCO Z979436644 [1,1,0,0,0,0|0,0,1]=3 646 B11R1.17 CC1=C(C=NC=C1)CCC=O Z1270653786 [1,1,0,0,0,0|1,0,0]=3 647 B11R1.17 CNCCC1=C(C=CC=C1)C Z2234185664 [1,1,0,0,0,0|2,0,0]=4 648 B11R1.17 CNCCC1=C(C=CC=C1)Cl Z4935566656 [1,1,0,0,0,0|2,0,0]=4 649 B11R1.17 CNCCC1=C(C=CC=C1)F Z163192604 [1,1,0,0,0,0|2,0,0]=4 650 B11R1.17 CNCCC1=C(C=CC=C1)O Z1665033474 [1,1,0,0,0,0|2,0,0]=4 651 B11R1.17 COCCC1=C(C=CC=C1)N Z992259832 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.17 N#CCCC1=C(C=CC=C1)Br Z815260584 [1,1,0,0,0,0|1,0,1]=4 653 B11R1.17 NC1=C(C=CC=C1)CCCO Z1198265858 [1,1,0,0,0,0|0,0,1]=3 654 B11R1.17 NC1=C(C=CC=C1)NCCO Z55928991 [1,1,0,0,0,0|1,0,1]=4 655 B11R1.17 NC1=C(C=CC=C1)OCCO Z3445703033 [1,1,0,0,0,0|1,0,1]=4 656 B11R1.17 NCCCC1=C(C=CC=C1)Cl Z1695729033 [1,1,0,0,0,0|1,0,1]=4 657 B11R1.17 NCCCC1=C(C=CC=C1)F Z424783030 [1,1,0,0,0,0|1,0,1]=4 658 B11R1.17 NNCCC1=C(C=CC=C1)F Z285144176 [1,1,0,0,0,0|2,0,0]=4 659 B11R1.17 O=C1C=CC=CN1CCCO Z425794816 [1,1,0,0,0,0|1,0,1]=4 660 B11R1.17 O=CCCC1=C(C=CC=C1)F Z993017602 [1,1,0,0,0,0|0,0,0]=2 661 B11R1.17 OCCCC1=C(C=CC=C1)Br Z992949552 [1,1,0,0,0,0|0,0,1]=3 662 B11R1.17 OCCOC1=C(C=CC=C1)Br Z149303034 [1,1,0,0,0,0|1,0,1]=4 663 B11R1.17 OCCOC1=C(C=CC=C1)F Z425795714 [1,1,0,0,0,0|1,0,1]=4 664 B11R1.17 OCCOC1=C(C=CC=C1)O Z56755902 [1,1,0,0,0,0|1,0,1]=4 665 B11R1.17 OCCSC1=C(C=CC=C1)Br Z149386602 [1,1,0,0,0,0|1,0,1]=4 666 B11R1.17 OCCSC1=C(C=CC=C1)Cl Z149174540 [1,1,0,0,0,0|1,0,1]=4 667 B11R1.24 C=CCCC1=CC=CC(=C1)Br Z1269162615 [1,1,0,0,0,0|1,0,0]=3 668 B11R1.24 C=CCOC1=CC=CC(=C1)N Z274779170 [1,1,0,0,0,0|2,0,0]=4 669 B11R1.24 CC1=CC(=CC=C1)CCCN Z4993130622 [1,1,0,0,0,0|1,0,1]=4 670 B11R1.24 CC1=CC(=CC=C1)CCCO Z979436642 [1,1,0,0,0,0|0,0,1]=3 671 B11R1.24 CC1=CC(=CN=C1)CCC=O Z1492427371 [1,1,0,0,0,0|1,0,0]=3 672 B11R1.24 CC1=CC(=CN=C1)CCCO Z1216820424 [1,1,0,0,0,0|1,0,1]=4 673 B11R1.24 CC1=NC(=CC=C1)CCCO Z104479712 [1,1,0,0,0,0|1,0,1]=4 674 B11R1.24 CNCCC1=CC(=CC=C1)Br Z2168282744 [1,1,0,0,0,0|2,0,0]=4 675 B11R1.24 CNCCC1=CC(=CC=C1)O Z4924737523 [1,1,0,0,0,0|2,0,0]=4 676 B11R1.24 COCCC1=CC(=CC=C1)O Z1513911027 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.24 NC1=CC(=CC=C1)CCCO Z1198265859 [1,1,0,0,0,0|0,0,1]=3 678 B11R1.24 NCCCC1=CC(=CC=C1)Br Z1266823414 [1,1,0,0,0,0|1,0,1]=4 679 B11R1.24 NCCCC1=CC(=CC=C1)Cl Z1262246154 [1,1,0,0,0,0|1,0,1]=4 680 B11R1.24 NCCCC1=CC(=CC=C1)F Z424782946 [1,1,0,0,0,0|1,0,1]=4 681 B11R1.24 NCCCC1=CC(=CC=C1)O Z1895582955 [1,1,0,0,0,0|1,0,1]=4 682 B11R1.24 O=C/C=C/C1=CC=CC(=C1)F Z1198179803 [1,1,0,0,0,0|0,0,2]=4 683 B11R1.24 O=CCCC1=CC=CC(=C1)Cl Z993017744 [1,1,0,0,0,0|0,0,0]=2 684 B11R1.24 O=CCCC1=CC=CC(=C1)F Z993017622 [1,1,0,0,0,0|0,0,0]=2 685 B11R1.24 O=CCCC1=CN=CC(=C1)F Z1233207916 [1,1,0,0,0,0|1,0,0]=3 686 B11R1.24 OCCNC1=CC(=CC=C1)F Z335274246 [1,1,0,0,0,0|1,0,1]=4 687 B11R1.24 OCCOC1=CC(=CC=C1)Br Z335092356 [1,1,0,0,0,0|1,0,1]=4 688 B11R1.24 OCCOC1=CC(=CC=C1)Cl Z149166432 [1,1,0,0,0,0|1,0,1]=4 689 B11R1.28 BrCCCOC1=CC=CC=C1 Z90122132 [1,1,0,0,0,0|1,0,1]=4 690 B11R1.28 C#CCCOC1=CC=CC=C1 Z1143222703 [1,1,0,0,0,0|1,0,1]=4 691 B11R1.28 C#CCNCC1=CC=CC=C1 Z2082999436 [1,1,0,0,0,0|1,0,1]=4 692 B11R1.28 C=CCNCC1=CC=CC=C1 Z86135577 [1,1,0,0,0,0|1,0,0]=3 693 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [1,1,0,0,0,0|1,0,1]=4 694 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [1,1,0,0,0,0|1,0,1]=4 695 B11R1.28 CCNCCC1=CC=CC=C1 Z444350074 [1,1,0,0,0,0|1,0,1]=4 696 B11R1.28 CCOCCC1=CC=CC=C1 Z1198150519 [1,1,0,0,0,0|1,0,1]=4 697 B11R1.28 CNCCCC1=CC=CC=C1 Z102767020 [1,1,0,0,0,0|1,0,1]=4 698 B11R1.28 CNCCOC1=CC=CC=C1 Z56945505 [1,1,0,0,0,0|2,0,0]=4 699 B11R1.28 COCCNC1=CC=CC=C1 Z266463556 [1,1,0,0,0,0|1,0,1]=4 700 B11R1.28 ClCCCOC1=CC=CC=C1 Z275020186 [1,1,0,0,0,0|1,0,1]=4 701 B11R1.28 ClCCNCC1=CC=CC=C1 Z57158447 [1,1,0,0,0,0|1,0,1]=4 702 B11R1.28 N#CCCNC1=CC=CC=C1 Z56915949 [1,1,0,0,0,0|1,0,1]=4 703 B11R1.28 N#CCCOC1=CC=CC=C1 Z54337114 [1,1,0,0,0,0|1,0,1]=4 704 B11R1.28 N#CCNCC1=CC=CC=C1 Z266079624 [1,1,0,0,0,0|1,0,1]=4 705 B11R1.28 N#CCOCC1=CC=CC=C1 Z295205356 [1,1,0,0,0,0|1,0,1]=4 706 B11R1.28 N#CCSCC1=CC=CC=C1 Z54337756 [1,1,0,0,0,0|1,0,1]=4 707 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [1,1,0,0,0,0|1,0,1]=4 708 B11R1.28 NCCCNC1=CC=CC=C1 Z756919512 [1,1,0,0,0,0|1,0,1]=4 709 B11R1.28 NCCCOC1=CC=CC=C1 Z234895129 [1,1,0,0,0,0|1,0,1]=4 710 B11R1.28 NCCCSC1=CC=CC=C1 Z262222134 [1,1,0,0,0,0|1,0,1]=4 711 B11R1.28 NCCOCC1=CC=CC=C1 Z271005946 [1,1,0,0,0,0|1,0,1]=4 712 B11R1.28 O=CCCCC1=CC=CC=C1 Z993017616 [1,1,0,0,0,0|0,0,0]=2 713 B11R1.28 O=CCOCC1=CC=CC=C1 Z906195396 [1,1,0,0,0,0|0,0,0]=2 714 B11R1.28 O=CCSCC1=CC=CC=C1 Z854102762 [1,1,0,0,0,0|0,0,0]=2 715 B11R1.28 OCCCNC1=CC=CC=C1 Z104584292 [1,1,0,0,0,0|0,0,1]=3 716 B11R1.28 OCCCNC1=CC=NC=C1 Z359301948 [1,1,0,0,0,0|1,0,1]=4 717 B11R1.28 OCCCNC1=NC=CC=C1 Z31220937 [1,1,0,0,0,0|1,0,1]=4 718 B11R1.28 OCCCSC1=CC=CC=C1 Z104650330 [1,1,0,0,0,0|0,0,1]=3 719 B11R1.28 OCCNCC1=CN=CC=C1 Z90504502 [1,1,0,0,0,0|1,0,1]=4 720 B11R1.28 OCCOCC1=CC=CC=C1 Z854223062 [1,1,0,0,0,0|0,0,1]=3 721 B11R1.28 S=C=NCCC1=CC=CC=C1 Z56924472 [1,1,0,0,0,0|0,1,1]=4 722 B11R1.40 C#CC(N)CC1=CC=CC=C1 Z4167757719 [1,1,0,0,0,0|1,0,1]=4 723 B11R1.40 C/C(=C\C1=CC=CC=C1)/C=O Z3219847417 [1,1,0,0,0,0|0,0,2]=4 724 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [1,1,0,0,0,0|0,0,0]=2 725 B11R1.40 CC(CC1=CC=CC=C1)NN Z3033545382 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [1,1,0,0,0,0|1,0,1]=4 727 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [1,1,0,0,0,0|1,0,1]=4 728 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [1,1,0,0,0,0|1,0,1]=4 729 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [1,1,0,0,0,0|1,0,1]=4 730 B11R1.40 CN(CC1=CC=CC=C1)N=O Z1198147495 [1,1,0,0,0,0|2,0,0]=4 731 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [1,1,0,0,0,0|0,0,1]=3 732 B11R1.40 NC(CO)CC1=CC=NC=C1 Z1824511267 [1,1,0,0,0,0|1,0,1]=4 733 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [1,1,0,0,0,0|1,0,1]=4 734 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [1,1,0,0,0,0|1,0,1]=4 735 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [1,1,0,0,0,0|1,0,1]=4 736 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [1,1,0,0,0,0|0,0,1]=3 737 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [1,1,0,0,0,0|0,0,1]=3 738 B11R1.40 O=C/C(=C/C1=CC=CC=C1)/Br Z2312942099 [1,1,0,0,0,0|0,0,2]=4 739 B11R1.40 O=C/C(=C/C1=CC=CC=C1)/Cl Z104475950 [1,1,0,0,0,0|0,0,2]=4 740 B11R1.20 CC(=O)CC1=CC=C(C=C1)F Z329711590 [0,1,0,0,1,0|1,0,0]=3 741 B11R1.20 CC(=O)NC1=CC=C(C=C1)C Z28134680 [0,1,0,0,1,0|2,0,0]=4 742 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl Z28161730 [0,1,0,0,1,0|2,0,0]=4 743 B11R1.20 CC(=O)NC1=CC=C(C=C1)F Z27805821 [0,1,0,0,1,0|2,0,0]=4 744 B11R1.20 CC(=O)NC1=CC=C(C=C1)I Z30316374 [0,1,0,0,1,0|2,0,0]=4 745 B11R1.20 CC(=O)NC1=CC=C(C=C1)N Z56926521 [0,1,0,0,1,0|2,0,0]=4 746 B11R1.20 CC(=O)NC1=CC=C(C=C1)O Z56946051 [0,1,0,0,1,0|2,0,0]=4 747 B11R1.20 CC(=O)NC1=CC=C(C=C1)S Z104484984 [0,1,0,0,1,0|2,0,0]=4 748 B11R1.20 CC(=O)OC1=CC=C(C=C1)O Z1198155166 [0,1,0,0,1,0|2,0,0]=4 749 B11R1.20 CC1=CC=C(C=C1)CC(=N)N Z3244909870 [0,1,0,0,1,0|2,0,0]=4 750 B11R1.20 CC1=CC=C(C=C1)CC(=O)O Z104507548 [0,1,0,0,1,0|0,0,0]=2 751 B11R1.20 CC1=CC=C(C=C1)NC(=O)N Z56754677 [0,1,0,0,1,0|2,0,0]=4 752 B11R1.20 CC1=NC=C(C=C1)CC(=O)O Z424795892 [0,1,0,0,1,0|1,0,0]=3 753 B11R1.20 N=C(N)CC1=CC=C(C=C1)Br Z1518844582 [0,1,0,0,1,0|2,0,0]=4 754 B11R1.20 N=C(N)CC1=CC=C(C=C1)F Z415636754 [0,1,0,0,1,0|2,0,0]=4 755 B11R1.20 NC(=O)CC1=CC=C(C=C1)Br Z33546958 [0,1,0,0,1,0|1,0,0]=3 756 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl Z33546677 [0,1,0,0,1,0|1,0,0]=3 757 B11R1.20 NC(=O)CC1=CC=C(C=C1)F Z33546755 [0,1,0,0,1,0|1,0,0]=3 758 B11R1.20 NC(=O)CC1=CC=C(C=C1)N Z234895133 [0,1,0,0,1,0|1,0,0]=3 759 B11R1.20 NC(=O)NC1=CC=C(C=C1)Br Z89283357 [0,1,0,0,1,0|2,0,0]=4 760 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl Z56754682 [0,1,0,0,1,0|2,0,0]=4 761 B11R1.20 NC(=O)NC1=CC=C(C=C1)F Z166687094 [0,1,0,0,1,0|2,0,0]=4 762 B11R1.20 NC(=O)NC1=CC=C(C=C1)I Z56754684 [0,1,0,0,1,0|2,0,0]=4 763 B11R1.20 NC(=O)NC1=CC=C(C=C1)N Z239123648 [0,1,0,0,1,0|2,0,0]=4 764 B11R1.20 NC(=S)CC1=CC=C(C=C1)F Z285131734 [0,1,0,0,1,0|1,1,0]=4 765 B11R1.20 NC1=CC=C(C=C1)CC(=O)O Z104481066 [0,1,0,0,1,0|0,0,0]=2 766 B11R1.20 O=C(Cl)CC1=CC=C(C=C1)Cl Z217293314 [0,1,0,0,1,0|1,0,0]=3 767 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br Z90121253 [0,1,0,0,1,0|0,0,0]=2 768 B11R1.20 O=C(O)CC1=CC=C(C=C1)Cl Z104477676 [0,1,0,0,1,0|0,0,0]=2 769 B11R1.20 O=C(O)CC1=CC=C(C=C1)F Z104477312 [0,1,0,0,1,0|0,0,0]=2 770 B11R1.20 O=C(O)CC1=CN=C(C=C1)Cl Z1165304038 [0,1,0,0,1,0|1,0,0]=3 771 B11R1.20 O=C(O)CC1=CNC(=O)C=C1 Z1198338224 [0,1,0,0,1,0|1,0,0]=3 772 B11R1.20 O=C(O)CC1=NC=C(C=C1)F Z1945984141 [0,1,0,0,1,0|1,0,0]=3 773 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 Z1201618094 [0,1,0,0,1,0|0,0,1]=3 774 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 Z1255485389 [0,1,0,0,1,0|1,0,1]=4 775 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 Z1255383314 [0,1,0,0,1,0|1,0,0]=3 776 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Z3234810419 [0,1,0,0,1,0|1,0,0]=3 777 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 Z31506242 [0,1,0,0,1,0|2,0,0]=4 778 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 Z1255506457 [0,1,0,0,1,0|1,0,0]=3 779 B11R1.36 CC(C(=O)O)C1=CN=CC=C1 Z792377268 [0,1,0,0,1,0|1,0,0]=3 780 B11R1.36 CC(C(=O)O)C1=CN=CN=C1 Z1860991554 [0,1,0,0,1,0|2,0,0]=4 781 B11R1.36 CC(C(=O)[O-])C1=CC=NC=C1 Z2408359395 [0,1,0,0,1,0|1,0,1]=4 782 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Z2588063686 [0,1,0,0,1,0|1,0,1]=4 783 B11R1.36 C[C@@H](C(=O)O)C1=CN=CC=C1 Z5462337230 [0,1,0,0,1,0|1,0,0]=3 784 B11R1.36 C[C@H](C(=O)O)C1=CN=CC=C1 Z5462556304 [0,1,0,0,1,0|1,0,0]=3 785 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 Z57069256 [0,1,0,0,1,0|1,0,0]=3 786 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 Z57204607 [0,1,0,0,1,0|1,0,0]=3 787 B11R1.36 NC(=O)C(N)C1=NC=CC=C1 Z1251358507 [0,1,0,0,1,0|2,0,0]=4 788 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 Z147647142 [0,1,0,0,1,0|0,0,0]=2 789 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 Z815264186 [0,1,0,0,1,0|1,0,0]=3 790 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 Z278101784 [0,1,0,0,1,0|0,0,0]=2 791 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 Z957336528 [0,1,0,0,1,0|0,0,0]=2 792 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 Z381360894 [0,1,0,0,1,0|0,0,1]=3 793 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 Z104495824 [0,1,0,0,1,0|0,0,0]=2 794 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 Z1203161992 [0,1,0,0,1,0|0,0,0]=2 795 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 Z104473974 [0,1,0,0,1,0|0,0,0]=2 796 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 Z808230894 [0,1,0,0,1,0|0,0,0]=2 797 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 Z1201618616 [0,1,0,0,1,0|0,0,0]=2 798 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 Z1255390767 [0,1,0,0,1,0|0,0,0]=2 799 B11R1.36 O=C([O-])C(O)C1=NC=CC=C1 Z2357023524 [0,1,0,0,1,0|1,0,1]=4 800 B11R1.86 CC(=O)CC1=C(C=CC=C1)C Z329711570 [0,1,0,0,1,0|1,0,0]=3 801 B11R1.86 CC(=O)CC1=C(C=CC=C1)Cl Z329711556 [0,1,0,0,1,0|1,0,0]=3 802 B11R1.86 CC(=O)CC1=C(C=CC=C1)I Z1335657335 [0,1,0,0,1,0|1,0,0]=3 803 B11R1.86 CC(=O)CC1=C(C=CC=C1)O Z1198152110 [0,1,0,0,1,0|1,0,0]=3 804 B11R1.86 CC(=O)CC1=C(C=NC=C1)C Z4958080575 [0,1,0,0,1,0|2,0,0]=4 805 B11R1.86 CC(=O)CN1C=CC=CC1=O Z1881599491 [0,1,0,0,1,0|2,0,0]=4 806 B11R1.86 CC(=O)NC1=C(C=CC=C1)N Z239120544 [0,1,0,0,1,0|2,0,0]=4 807 B11R1.86 CC(=O)NC1=C(C=CC=C1)O Z57040482 [0,1,0,0,1,0|2,0,0]=4 808 B11R1.86 CC(=O)OC1=C(C=CC=C1)O Z1513803522 [0,1,0,0,1,0|2,0,0]=4 809 B11R1.86 CC1=C(C=CC=C1)CC(=N)N Z1374778803 [0,1,0,0,1,0|2,0,0]=4 810 B11R1.86 CC1=C(C=CC=C1)CC(=O)N Z52214433 [0,1,0,0,1,0|1,0,0]=3 811 B11R1.86 CC1=C(C=CC=C1)CC(=O)O Z104503424 [0,1,0,0,1,0|0,0,0]=2 812 B11R1.86 CC1=C(C=CC=N1)CC(=O)O Z2050687800 [0,1,0,0,1,0|1,0,0]=3 813 B11R1.86 CC1=C(C=NC=C1)CC(=O)O Z1198264460 [0,1,0,0,1,0|1,0,0]=3 814 B11R1.86 CS(=O)CC1=C(C=CC=C1)N Z802580910 [0,1,0,0,1,0|2,0,0]=4 815 B11R1.86 N=C(N)CC1=C(C=CC=C1)Br Z1742055055 [0,1,0,0,1,0|2,0,0]=4 816 B11R1.86 N=C(N)CC1=C(C=CC=C1)F Z1695738915 [0,1,0,0,1,0|2,0,0]=4 817 B11R1.86 NC(=O)CC1=C(C=CC=C1)Cl Z33547171 [0,1,0,0,1,0|1,0,0]=3 818 B11R1.86 NC(=O)CC1=C(C=CC=C1)F Z33546803 [0,1,0,0,1,0|1,0,0]=3 819 B11R1.86 NC(=O)CC1=C(C=CC=C1)N Z239125326 [0,1,0,0,1,0|1,0,0]=3 820 B11R1.86 NC(=O)CC1=C(C=CC=C1)O Z1255356155 [0,1,0,0,1,0|1,0,0]=3 821 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br Z247615996 [0,1,0,0,1,0|2,0,0]=4 822 B11R1.86 NC(=O)NC1=C(C=CC=C1)Cl Z56754680 [0,1,0,0,1,0|2,0,0]=4 823 B11R1.86 NC(=O)NC1=C(C=CC=C1)F Z57028527 [0,1,0,0,1,0|2,0,0]=4 824 B11R1.86 NC1=C(C=CC=N1)CC(=O)O Z1889710265 [0,1,0,0,1,0|1,0,0]=3 825 B11R1.86 O=C(O)CC1=C(C=CC=C1)Br Z285184626 [0,1,0,0,1,0|0,0,0]=2 826 B11R1.86 O=C(O)CC1=C(C=CC=C1)Cl Z56911957 [0,1,0,0,1,0|0,0,0]=2 827 B11R1.86 O=C(O)CC1=C(C=CC=C1)F Z104495526 [0,1,0,0,1,0|0,0,0]=2 828 B11R1.86 O=C(O)CC1=C(C=CC=C1)I Z1269196288 [0,1,0,0,1,0|0,0,0]=2 829 B11R1.86 O=C(O)CC1=C(C=CC=C1)O Z608061328 [0,1,0,0,1,0|0,0,0]=2 830 B11R1.86 O=C(O)CC1=C(C=CN=C1)Cl Z2096659743 [0,1,0,0,1,0|1,0,0]=3 831 B11R1.86 O=C(O)CC1=C(C=CN=C1)O Z1255444750 [0,1,0,0,1,0|1,0,0]=3 832 B11R1.86 O=C(O)CC1=C(N=CC=C1)Br Z1269238080 [0,1,0,0,1,0|1,0,0]=3 833 B11R1.86 O=C(O)CC1=C(N=CC=N1)Cl Z1255421013 [0,1,0,0,1,0|2,0,0]=4 834 B11R1.86 O=C(O)CC1=CN=CNC1=O Z4990166200 [0,1,0,0,1,0|2,0,0]=4 835 B11R1.86 O=C(O)CN1C=CC=CC1=O Z57985357 [0,1,0,0,1,0|1,0,0]=3 836 B11R1.86 O=C(O)CN1C=CC=NC1=O Z245435552 [0,1,0,0,1,0|2,0,0]=4 837 B11R1.86 O=C(O)CN1C=NC=CC1=O Z1154745738 [0,1,0,0,1,0|2,0,0]=4 838 B11R1.86 O=[N+]([O-])CC1=C(C=CC=C1)F Z2182028452 [0,1,0,0,1,0|1,0,1]=4 839 B11R1.86 OB(O)CC1=C(C=CC=C1)Cl Z1147227737 [0,1,0,0,1,0|1,0,1]=4 840 B11R1.157 CC(=O)CC1=CC(=CC=C1)Br Z513735382 [0,1,0,0,1,0|1,0,0]=3 841 B11R1.157 CC(=O)CC1=CC(=CC=C1)Cl Z513733552 [0,1,0,0,1,0|1,0,0]=3 842 B11R1.157 CC(=O)CC1=CC(=CC=C1)F Z329711550 [0,1,0,0,1,0|1,0,0]=3 843 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br Z27788933 [0,1,0,0,1,0|2,0,0]=4 844 B11R1.157 CC(=O)NC1=CC(=CC=C1)I Z26432839 [0,1,0,0,1,0|2,0,0]=4 845 B11R1.157 CC(=O)NC1=CC(=CC=C1)N Z56926524 [0,1,0,0,1,0|2,0,0]=4 846 B11R1.157 CC(=O)NC1=CC(=CC=C1)O Z31717082 [0,1,0,0,1,0|2,0,0]=4 847 B11R1.157 CC(O)CC1=CC(=CC=C1)F Z513751286 [0,1,0,0,1,0|1,0,1]=4 848 B11R1.157 CC1=CC(=CN=C1)CC(=O)O Z1889997399 [0,1,0,0,1,0|1,0,0]=3 849 B11R1.157 CS(=O)CC1=CC(=CC=C1)N Z802580778 [0,1,0,0,1,0|2,0,0]=4 850 B11R1.157 N=C(N)CC1=CC(=CC=C1)Br Z1636723568 [0,1,0,0,1,0|2,0,0]=4 851 B11R1.157 N=C(N)CC1=CC(=CC=C1)F Z1695709629 [0,1,0,0,1,0|2,0,0]=4 852 B11R1.157 NC(=O)CC1=CC(=CC=C1)Cl Z992289380 [0,1,0,0,1,0|1,0,0]=3 853 B11R1.157 NC(=O)CC1=CC(=CC=C1)I Z1419030795 [0,1,0,0,1,0|1,0,0]=3 854 B11R1.157 NC(=O)CC1=CC(=CC=C1)O Z816010252 [0,1,0,0,1,0|1,0,0]=3 855 B11R1.157 NC(=O)NC1=CC(=CC=C1)Br Z198194688 [0,1,0,0,1,0|2,0,0]=4 856 B11R1.157 NC(=O)NC1=CC(=CC=C1)Cl Z166687084 [0,1,0,0,1,0|2,0,0]=4 857 B11R1.157 NC(=O)NC1=CC(=CC=C1)I Z198194890 [0,1,0,0,1,0|2,0,0]=4 858 B11R1.157 NC(=O)NC1=CC(=CC=C1)N Z235352405 [0,1,0,0,1,0|2,0,0]=4 859 B11R1.157 NC(=O)NC1=CC(=CC=C1)O Z335810106 [0,1,0,0,1,0|2,0,0]=4 860 B11R1.157 NC1=CC(=CC=C1)CC(=O)O Z992267406 [0,1,0,0,1,0|0,0,0]=2 861 B11R1.157 NC1=NC=CC(=C1)CC(=O)O Z1197888454 [0,1,0,0,1,0|1,0,0]=3 862 B11R1.157 O=C(O)CC1=CC(=CC=C1)Br Z285131530 [0,1,0,0,1,0|0,0,0]=2 863 B11R1.157 O=C(O)CC1=CC(=CC=C1)Cl Z285184608 [0,1,0,0,1,0|0,0,0]=2 864 B11R1.157 O=C(O)CC1=CC(=CC=C1)F Z104486030 [0,1,0,0,1,0|0,0,0]=2 865 B11R1.157 O=C(O)CC1=CC(=CC=C1)I Z1269113140 [0,1,0,0,1,0|0,0,0]=2 866 B11R1.157 O=C(O)CC1=CC(=CC=C1)O Z816000338 [0,1,0,0,1,0|0,0,0]=2 867 B11R1.157 O=C(O)CC1=CC(=CN=C1)Br Z1269198419 [0,1,0,0,1,0|1,0,0]=3 868 B11R1.157 O=C(O)CC1=CC(=CN=C1)O Z1255437243 [0,1,0,0,1,0|1,0,0]=3 869 B11R1.157 O=C(O)CC1=CC(=NC=C1)O Z5003228420 [0,1,0,0,1,0|1,0,0]=3 870 B11R1.157 O=[N+]([O-])CC1=CC(=CC=C1)F Z2181775549 [0,1,0,0,1,0|1,0,1]=4 871 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 Z89268868 [0,1,0,0,1,0|1,0,1]=4 872 B11R1.509 O=P(O)(O)CC1=CN=CC=C1 Z1255418137 [0,1,0,0,1,0|2,0,0]=4 873 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 Z190630174 [0,1,0,0,1,0|1,0,1]=4 874 B11R1.509 O=S(=O)([O-])CC1=CC=CC=C1 Z3206129658 [0,1,0,0,1,0|1,0,1]=4 875 B11R1.25 CNC(=O)CCC1=CC=CO1 Z242124434 [0,1,0,0,1,0|2,0,0]=4 876 B11R1.25 CNC(=O)CCC1=CSC=C1 Z135505226 [0,1,0,0,1,0|2,0,0]=4 877 B11R1.25 COC(=O)CCC1=CNC=N1 Z1250100623 [0,1,0,0,1,0|2,0,0]=4 878 B11R1.25 COC(=O)CCC1=CSC=C1 Z74523177 [0,1,0,0,1,0|1,0,0]=3 879 B11R1.35 CC(CC1=CC=CS1)C(=O)O Z756390536 [0,1,0,0,1,0|1,0,0]=3 880 B11R1.35 CC(CN1C=CC=N1)C(=O)O Z421787104 [0,1,0,0,1,0|2,0,0]=4 881 B11R1.35 CC(CN1C=CN=C1)C(=O)O Z1431781034 [0,1,0,0,1,0|2,0,0]=4 882 B11R1.35 NC(CC1=CC=CN1)C(=O)O Z1065645554 [0,1,0,0,1,0|1,0,0]=3 883 B11R1.35 NC(CC1=CC=CO1)C(=O)O Z317025794 [0,1,0,0,1,0|1,0,0]=3 884 B11R1.35 NC(CC1=CC=NO1)C(=O)O Z2429425584 [0,1,0,0,1,0|2,0,0]=4 885 B11R1.35 NC(CC1=CN=CS1)C(=O)O Z2753010848 [0,1,0,0,1,0|2,0,0]=4 886 B11R1.35 NC(CC1=CNC=N1)C(=O)O Z1259162152 [0,1,0,0,1,0|2,0,0]=4 887 B11R1.35 NC(CC1=COC=C1)C(=O)O Z3839442137 [0,1,0,0,1,0|1,0,0]=3 888 B11R1.35 NC(CC1=COC=N1)C(=O)O Z3377962909 [0,1,0,0,1,0|2,0,0]=4 889 B11R1.35 NC(CC1=CSC=C1)C(=O)O Z3251695259 [0,1,0,0,1,0|1,0,0]=3 890 B11R1.35 NC(CC1=CSC=N1)C(=O)O Z3355847058 [0,1,0,0,1,0|2,0,0]=4 891 B11R1.35 NC(CC1=NNC=C1)C(=O)O Z2503042485 [0,1,0,0,1,0|2,0,0]=4 892 B11R1.35 NC(CN1C=CC=N1)C(=O)O Z2933867195 [0,1,0,0,1,0|2,0,0]=4 893 B11R1.35 NC(CN1C=CN=C1)C(=O)O Z2310727968 [0,1,0,0,1,0|2,0,0]=4 894 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O Z359369984 [0,1,0,0,1,0|2,0,0]=4 895 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O Z1079168982 [0,1,0,0,1,0|2,0,0]=4 896 B11R1.35 O=C(O)C(=O)CC1=CC=CS1 Z271004562 [0,1,0,0,1,0|1,0,1]=4 897 B11R1.35 O=C(O)[C@@H](O)CC1=CNC=N1 Z3410265465 [0,1,0,0,1,0|2,0,0]=4 898 B11R1.75 CC(=O)CCC1=CC=C(S1)Cl Z406376898 [0,1,0,0,1,0|2,0,0]=4 899 B11R1.75 CC1=CC(=NO1)CCC(=O)O Z1216839860 [0,1,0,0,1,0|2,0,0]=4 900 B11R1.75 CC1=CC=C(O1)CCC(=O)O Z57248456 [0,1,0,0,1,0|1,0,0]=3 901 B11R1.75 CC1=CC=C(S1)CCC(=O)O Z381359992 [0,1,0,0,1,0|1,0,0]=3 902 B11R1.75 CC1=CN(N=C1)CCC(=O)O Z275127962 [0,1,0,0,1,0|2,0,0]=4 903 B11R1.75 CC1=CNC(=N1)CCC(=O)O Z3181965688 [0,1,0,0,1,0|2,0,0]=4 904 B11R1.75 CC1=CSC(=N1)CCC(=O)O Z1198306714 [0,1,0,0,1,0|2,0,0]=4 905 B11R1.75 CC1=NC(=CS1)CCC(=O)O Z1184876049 [0,1,0,0,1,0|2,0,0]=4 906 B11R1.75 CC1=NC=C(O1)CCC(=O)O Z1255392347 [0,1,0,0,1,0|2,0,0]=4 907 B11R1.75 CC1=NC=C(S1)CCC(=O)O Z1079166524 [0,1,0,0,1,0|2,0,0]=4 908 B11R1.75 CC1=NNC(=C1)CCC(=O)O Z1251358529 [0,1,0,0,1,0|2,0,0]=4 909 B11R1.75 CC1=NOC(=C1)CCC(=O)O Z1216842852 [0,1,0,0,1,0|2,0,0]=4 910 B11R1.75 CN1C=C(C=N1)CCC(=O)O Z335291662 [0,1,0,0,1,0|2,0,0]=4 911 B11R1.75 CN1C=CC(=C1)CCC(=O)O Z1262521199 [0,1,0,0,1,0|1,0,0]=3 912 B11R1.75 CN1C=NC(=C1)CCC(=O)O Z3681634742 [0,1,0,0,1,0|2,0,0]=4 913 B11R1.75 NC(=O)CCC1=CC=C(S1)Cl Z458893400 [0,1,0,0,1,0|2,0,0]=4 914 B11R1.75 NC1=CN(N=C1)CCC(=O)O Z802829580 [0,1,0,0,1,0|2,0,0]=4 915 B11R1.75 NC1=NC(=CS1)CCC(=O)O Z1147235463 [0,1,0,0,1,0|2,0,0]=4 916 B11R1.75 NC1=NC=C(N1)CCC(=O)O Z3300728684 [0,1,0,0,1,0|2,0,0]=4 917 B11R1.75 NC1=NC=C(S1)CCC(=O)O Z1154248781 [0,1,0,0,1,0|2,0,0]=4 918 B11R1.75 O=C(O)CCC1=CC(=CS1)Br Z381359988 [0,1,0,0,1,0|1,0,0]=3 919 B11R1.75 O=C(O)CCC1=CC(=CS1)Cl Z234898661 [0,1,0,0,1,0|1,0,0]=3 920 B11R1.75 O=C(O)CCC1=CC=C(S1)Cl Z381359990 [0,1,0,0,1,0|1,0,0]=3 921 B11R1.75 O=C(O)CCC1=CNC(=N1)S Z3235142381 [0,1,0,0,1,0|2,0,0]=4 922 B11R1.75 O=C(O)CCC1=CNC(=O)N1 Z1262517531 [0,1,0,0,1,0|2,0,0]=4 923 B11R1.75 O=C(O)CCN1C=C(C=N1)Br Z608353718 [0,1,0,0,1,0|2,0,0]=4 924 B11R1.75 O=C(O)CCN1C=C(C=N1)Cl Z625454300 [0,1,0,0,1,0|2,0,0]=4 925 B11R1.77 CC(CC(=O)O)N1C=CC=C1 Z398989776 [0,1,0,0,1,0|1,0,0]=3 926 B11R1.77 CC(CC(=O)O)N1C=CC=N1 Z431537238 [0,1,0,0,1,0|2,0,0]=4 927 B11R1.77 CC(CC(=O)O)N1C=CN=C1 Z431537246 [0,1,0,0,1,0|2,0,0]=4 928 B11R1.77 NC(CC(=O)O)C1=CC=CS1 Z221523588 [0,1,0,0,1,0|1,0,0]=3 929 B11R1.77 NC(CC(=O)O)C1=CSC=C1 Z285185092 [0,1,0,0,1,0|1,0,0]=3 930 B11R1.77 NC(CC(=O)O)C1=NC=CS1 Z1255465757 [0,1,0,0,1,0|2,0,0]=4 931 B11R1.90 CC1=C(SC=N1)CCC(=O)O Z1198166208 [0,1,0,0,1,0|2,0,0]=4 932 B11R1.90 CC1=NC=CN1CCC(=O)O Z1171978833 [0,1,0,0,1,0|2,0,0]=4 933 B11R1.90 CN1C=CC=C1CCC(=O)O Z362827938 [0,1,0,0,1,0|1,0,0]=3 934 B11R1.90 CN1C=CN=C1CCC(=O)O Z2939814866 [0,1,0,0,1,0|2,0,0]=4 935 B11R1.90 CN1C=NC=C1CCC(=O)O Z1824511285 [0,1,0,0,1,0|2,0,0]=4 936 B11R1.90 CN1N=CC=C1CCC(=O)O Z1198171512 [0,1,0,0,1,0|2,0,0]=4 937 B11R1.90 O=C(O)CCC1=C(C=CS1)Br Z854069976 [0,1,0,0,1,0|1,0,0]=3 938 B11R1.90 O=C(O)CCC1=C(SC=C1)Br Z2236423623 [0,1,0,0,1,0|1,0,0]=3 939 B11R1.90 O=C(O)CCC1=C(SC=C1)Cl Z2261978289 [0,1,0,0,1,0|1,0,0]=3 940 B13R1.45 CC(=O)NCC(O)C1=CC=CC=C1 Z255306774 [0,1,0,0,0,1|1,0,0]=3 941 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 Z1198150373 [0,1,0,0,0,1|0,0,0]=2 942 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 Z1259273310 [0,1,0,0,0,1|0,0,0]=2 943 B13R1.45 CN(CCC(=O)O)C1=CC=NC=C1 Z1762658191 [0,1,0,0,0,1|1,0,0]=3 944 B13R1.45 C[C@@H](NCC(=O)N)C1=CC=CC=C1 Z1165167250 [0,1,0,0,0,1|1,0,0]=3 945 B13R1.45 NC(=O)COC(=O)C1=CC=CC=C1 Z19825583 [0,1,0,0,0,1|1,0,1]=4 946 B13R1.45 NC(=O)NCC(O)C1=CC=CC=C1 Z198194916 [0,1,0,0,0,1|1,0,0]=3 947 B13R1.45 NC(=O)OCC(O)C1=CC=CC=C1 Z1198155491 [0,1,0,0,0,1|1,0,0]=3 948 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 Z2213893322 [0,1,0,0,0,1|0,0,0]=2 949 B13R1.45 O=C(O)/C=C/C(=O)C1=CC=CC=C1 Z2895088074 [0,1,0,0,0,1|0,0,2]=4 950 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 Z57127328 [0,1,0,0,0,1|0,0,0]=2 951 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 Z1255488500 [0,1,0,0,0,1|1,0,0]=3 952 B13R1.45 O=C(O)CCC(=O)C1=CN=CC=C1 Z838955798 [0,1,0,0,0,1|1,0,0]=3 953 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 Z56771024 [0,1,0,0,0,1|0,0,1]=3 954 B13R1.45 O=C(O)CNC(=O)C1=CC=NC=C1 Z239129814 [0,1,0,0,0,1|1,0,1]=4 955 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 Z239129822 [0,1,0,0,0,1|1,0,1]=4 956 B13R1.45 O=C(O)CNC(=O)C1=NC=CC=C1 Z228588744 [0,1,0,0,0,1|1,0,1]=4 957 B13R1.149 C=C(C)CNCC1=CC(=CC=C1)O Z1741933704 [0,1,0,0,0,1|2,0,0]=4 958 B13R1.149 CC(=O)NCCC1=CC(=CC=C1)Br Z2286728666 [0,1,0,0,0,1|1,0,0]=3 959 B13R1.149 CC(=O)NCCC1=CC(=CC=C1)Cl Z52318908 [0,1,0,0,0,1|1,0,0]=3 960 B13R1.149 CC(=O)OCCC1=CC(=CC=C1)N Z1262633949 [0,1,0,0,0,1|1,0,0]=3 961 B13R1.149 CC1=CC(=CC=C1)CNCC(=O)O Z1270446344 [0,1,0,0,0,1|0,0,0]=2 962 B13R1.149 CC1=CC(=CC=C1)COCC(=O)O Z1251362362 [0,1,0,0,0,1|0,0,0]=2 963 B13R1.149 CC1=CC(=CC=C1)CSCC(=O)O Z19692175 [0,1,0,0,0,1|0,0,0]=2 964 B13R1.149 CC1=CC(=CC=C1)NCCC(=O)N Z382711330 [0,1,0,0,0,1|1,0,0]=3 965 B13R1.149 CC1=CC(=CC=C1)OCCC(=O)N Z33545285 [0,1,0,0,0,1|1,0,0]=3 966 B13R1.149 CC1=CC(=CC=C1)OCCC(=O)O Z56805757 [0,1,0,0,0,1|0,0,0]=2 967 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)Br Z33547023 [0,1,0,0,0,1|1,0,0]=3 968 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)F Z291821318 [0,1,0,0,0,1|1,0,0]=3 969 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)N Z382711144 [0,1,0,0,0,1|1,0,0]=3 970 B13R1.149 NC(=O)CCSC1=CC(=CC=C1)Cl Z994468306 [0,1,0,0,0,1|1,0,0]=3 971 B13R1.149 NC(=O)CSCC1=CC(=CC=C1)Br Z17129088 [0,1,0,0,0,1|1,0,0]=3 972 B13R1.149 NC(=O)CSCC1=CC(=CC=C1)N Z1813147313 [0,1,0,0,0,1|1,0,0]=3 973 B13R1.149 NC(=O)NCCC1=CC(=CC=C1)Cl Z198195798 [0,1,0,0,0,1|1,0,0]=3 974 B13R1.149 O=C(O)C/C=C/C1=CC(=CC=C1)F Z1350606434 [0,1,0,0,0,1|0,0,1]=3 975 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Br Z1097106911 [0,1,0,0,0,1|0,0,0]=2 976 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Cl Z1198171600 [0,1,0,0,0,1|0,0,0]=2 977 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)Br Z56893184 [0,1,0,0,0,1|0,0,0]=2 978 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)Cl Z240085186 [0,1,0,0,0,1|0,0,0]=2 979 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)F Z240085194 [0,1,0,0,0,1|0,0,0]=2 980 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)I Z381428310 [0,1,0,0,0,1|0,0,0]=2 981 B13R1.149 O=C(O)CCSC1=CC(=CC=C1)Cl Z994465870 [0,1,0,0,0,1|0,0,0]=2 982 B13R1.149 O=C(O)CNCC1=CC(=CC=C1)Br Z239092040 [0,1,0,0,0,1|0,0,0]=2 983 B13R1.149 O=C(O)CNCC1=CC(=CC=C1)F Z763367852 [0,1,0,0,0,1|0,0,0]=2 984 B13R1.149 O=C(O)COCC1=CC(=CC=C1)Cl Z1258763876 [0,1,0,0,0,1|0,0,0]=2 985 B13R1.149 O=C(O)COCC1=CC(=O)NC=C1 Z2680630303 [0,1,0,0,0,1|1,0,0]=3 986 B13R1.149 O=C(O)CSCC1=CC(=CC=C1)Br Z19692009 [0,1,0,0,0,1|0,0,0]=2 987 B13R1.149 O=C(O)CSCC1=CC(=CC=C1)Cl Z19691783 [0,1,0,0,0,1|0,0,0]=2 988 B13R1.149 O=C(O)CSCC1=CC(=CN=C1)F Z4359812984 [0,1,0,0,0,1|1,0,0]=3 989 B13R1.158 CC(=O)NCCC1=C(C=CC=C1)C Z52314092 [0,1,0,0,0,1|1,0,0]=3 990 B13R1.158 CC1=C(C=CC=C1)CNCC(=O)O Z763366336 [0,1,0,0,0,1|0,0,0]=2 991 B13R1.158 CC1=C(C=CC=C1)COCC(=O)O Z1251362361 [0,1,0,0,0,1|0,0,0]=2 992 B13R1.158 CC1=C(C=CC=C1)NCCC(=O)N Z68591167 [0,1,0,0,0,1|1,0,0]=3 993 B13R1.158 CC1=C(C=CC=C1)NCCC(=O)O Z56922066 [0,1,0,0,0,1|0,0,0]=2 994 B13R1.158 CC1=C(C=CC=C1)OCCC(=O)O Z56805748 [0,1,0,0,0,1|0,0,0]=2 995 B13R1.158 N=C(N)NCCC1=C(C=CC=C1)F Z3034036268 [0,1,0,0,0,1|2,0,0]=4 996 B13R1.158 NC(=O)CCNC1=C(C=CC=C1)Cl Z154209976 [0,1,0,0,0,1|1,0,0]=3 997 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)F Z33546164 [0,1,0,0,0,1|1,0,0]=3 998 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)N Z382711142 [0,1,0,0,0,1|1,0,0]=3 999 B13R1.158 NC(=O)CCSC1=C(C=CC=C1)F Z103229740 [0,1,0,0,0,1|1,0,0]=3 1000 B13R1.158 NC(=O)CCSC1=C(C=CC=C1)N Z382712128 [0,1,0,0,0,1|1,0,0]=3 1001 B13R1.158 NC1=C(C=CC=C1)CCCC(=O)O Z1982493918 [0,1,0,0,0,1|0,0,0]=2 1002 B13R1.158 O=C(O)C/C=C/C1=C(C=CC=C1)F Z1354602491 [0,1,0,0,0,1|0,0,1]=3 1003 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Br Z1097106913 [0,1,0,0,0,1|0,0,0]=2 1004 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Cl Z1209411177 [0,1,0,0,0,1|0,0,0]=2 1005 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)F Z1198171601 [0,1,0,0,0,1|0,0,0]=2 1006 B13R1.158 O=C(O)CCCN1C=CC=CC1=O Z285049636 [0,1,0,0,0,1|1,0,0]=3 1007 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Br Z295439184 [0,1,0,0,0,1|0,0,0]=2 1008 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Cl Z206905212 [0,1,0,0,0,1|0,0,0]=2 1009 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)F Z56922157 [0,1,0,0,0,1|0,0,0]=2 1010 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)O Z1262518325 [0,1,0,0,0,1|0,0,0]=2 1011 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Br Z293002250 [0,1,0,0,0,1|0,0,0]=2 1012 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Cl Z56813499 [0,1,0,0,0,1|0,0,0]=2 1013 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)F Z103229718 [0,1,0,0,0,1|0,0,0]=2 1014 B13R1.158 O=C(O)COCC1=C(C=CC=C1)Cl Z316259048 [0,1,0,0,0,1|0,0,0]=2 1015 B13R1.158 O=C(O)CSCC1=C(C=CC=C1)Cl Z19691784 [0,1,0,0,0,1|0,0,0]=2 1016 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 Z1198148922 [0,1,0,0,0,1|1,0,0]=3 1017 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 Z56968279 [0,1,0,0,0,1|1,0,1]=4 1018 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 Z1259040954 [0,1,0,0,0,1|0,0,0]=2 1019 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 Z1318516262 [0,1,0,0,0,1|0,0,0]=2 1020 B13R1.348 O=C(CC1=CC=CC=C1)C[N+](=O)[O-] Z57032633 [0,1,0,0,0,1|1,0,1]=4 1021 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [0,1,0,0,0,1|0,0,0]=2 1022 B13R1.351 C=C(COC1=CC=CC=C1)C(=O)O Z1197868054 [0,1,0,0,0,1|0,0,1]=3 1023 B13R1.351 CC(/C=C/C1=CC=CC=C1)C(=O)O Z3241898772 [0,1,0,0,0,1|0,0,1]=3 1024 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 Z906195336 [0,1,0,0,0,1|1,0,0]=3 1025 B13R1.351 CC(COC1=CC=CC=C1)C(=O)O Z425469932 [0,1,0,0,0,1|0,0,0]=2 1026 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O Z431541708 [0,1,0,0,0,1|0,0,0]=2 1027 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O Z426041612 [0,1,0,0,0,1|0,0,0]=2 1028 B13R1.351 CC(NCC1=CN=CC=C1)C(=O)O Z440613690 [0,1,0,0,0,1|1,0,0]=3 1029 B13R1.351 CC(NCC1=NC=CC=C1)C(=O)O Z1270255478 [0,1,0,0,0,1|1,0,0]=3 1030 B13R1.351 CC(O)C(C)OCC1=CC=CC=C1 Z854223056 [0,1,0,0,0,1|1,0,1]=4 1031 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)N Z394696218 [0,1,0,0,0,1|1,0,0]=3 1032 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O Z316258798 [0,1,0,0,0,1|0,0,0]=2 1033 B13R1.351 CC(OCC1=CC=NC=C1)C(=O)O Z2235681270 [0,1,0,0,0,1|1,0,0]=3 1034 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O Z18753939 [0,1,0,0,0,1|0,0,0]=2 1035 B13R1.351 C[C@H](NCC1=NC=CC=C1)C(=O)O Z5717815294 [0,1,0,0,0,1|1,0,0]=3 1036 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O Z1255498772 [0,1,0,0,0,1|0,0,0]=2 1037 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O Z317025074 [0,1,0,0,0,1|0,0,0]=2 1038 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O Z3004510439 [0,1,0,0,0,1|1,0,0]=3 1039 B13R1.351 NC(CCC1=NC=CC=C1)C(=O)O Z2310672466 [0,1,0,0,0,1|1,0,0]=3 1040 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O Z1255434715 [0,1,0,0,0,1|0,0,0]=2 1041 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O Z1255399095 [0,1,0,0,0,1|0,0,0]=2 1042 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 Z1201620725 [0,1,0,0,0,1|0,0,0]=2 1043 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 Z1259340035 [0,1,0,0,0,1|0,0,0]=2 1044 B13R1.513 CC1=CC=C(C=C1)/C=C/CC(=O)O Z1374884612 [0,1,0,0,0,1|0,0,1]=3 1045 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O Z336127890 [0,1,0,0,0,1|0,0,0]=2 1046 B13R1.513 CC1=CC=C(C=C1)CNCC(=O)O Z359506420 [0,1,0,0,0,1|0,0,0]=2 1047 B13R1.513 CC1=CC=C(C=C1)COCC(=O)O Z2630879936 [0,1,0,0,0,1|0,0,0]=2 1048 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)N Z33545794 [0,1,0,0,0,1|1,0,0]=3 1049 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)O Z19691181 [0,1,0,0,0,1|0,0,0]=2 1050 B13R1.513 CC1=CC=C(C=C1)NCCC(=O)O Z56886521 [0,1,0,0,0,1|0,0,0]=2 1051 B13R1.513 CC1=CC=C(C=C1)NCCC(=S)N Z362840678 [0,1,0,0,0,1|1,1,0]=4 1052 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)N Z33545286 [0,1,0,0,0,1|1,0,0]=3 1053 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)O Z56805738 [0,1,0,0,0,1|0,0,0]=2 1054 B13R1.513 CC1=CC=C(C=C1)SCCC(=O)O Z56813260 [0,1,0,0,0,1|0,0,0]=2 1055 B13R1.513 CC1=CN=C(C=C1)NCCC(=O)O Z295404834 [0,1,0,0,0,1|1,0,0]=3 1056 B13R1.513 N=C(N)SCCC1=CC=C(C=C1)Cl Z2237698506 [0,1,0,0,0,1|2,0,0]=4 1057 B13R1.513 NC(=O)CCNC1=CC=C(C=C1)F Z155153962 [0,1,0,0,0,1|1,0,0]=3 1058 B13R1.513 NC(=O)CCNC1=CC=C(C=C1)N Z1263714152 [0,1,0,0,0,1|1,0,0]=3 1059 B13R1.513 NC(=O)CCOC1=CC=C(C=C1)N Z382711140 [0,1,0,0,0,1|1,0,0]=3 1060 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)Cl Z33545287 [0,1,0,0,0,1|1,0,0]=3 1061 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)F Z33545610 [0,1,0,0,0,1|1,0,0]=3 1062 B13R1.513 NC(=O)CNCC1=CC=C(C=C1)Br Z90608485 [0,1,0,0,0,1|1,0,0]=3 1063 B13R1.513 NC(=O)CSCC1=CC=C(C=C1)Br Z19854475 [0,1,0,0,0,1|1,0,0]=3 1064 B13R1.513 NC(=O)CSCC1=CC=C(C=C1)Cl Z18433099 [0,1,0,0,0,1|1,0,0]=3 1065 B13R1.513 NC1=CC=C(C=C1)CCCC(=O)O Z336079594 [0,1,0,0,0,1|0,0,0]=2 1066 B13R1.513 NC1=CC=C(C=C1)OCCC(=O)O Z1259335771 [0,1,0,0,0,1|0,0,0]=2 1067 B13R1.513 O=C(O)C/C=C/C1=CC=C(C=C1)Br Z2939850891 [0,1,0,0,0,1|0,0,1]=3 1068 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br Z336286028 [0,1,0,0,0,1|0,0,0]=2 1069 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl Z336286026 [0,1,0,0,0,1|0,0,0]=2 1070 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)F Z336285992 [0,1,0,0,0,1|0,0,0]=2 1071 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)O Z1201617656 [0,1,0,0,0,1|0,0,0]=2 1072 B13R1.513 O=C(O)CCCC1=NN=C(C=C1)Cl Z1416161900 [0,1,0,0,0,1|2,0,0]=4 1073 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Br Z240085156 [0,1,0,0,0,1|0,0,0]=2 1074 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Cl Z57229608 [0,1,0,0,0,1|0,0,0]=2 1075 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)F Z240085178 [0,1,0,0,0,1|0,0,0]=2 1076 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Br Z102925164 [0,1,0,0,0,1|0,0,0]=2 1077 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl Z56812813 [0,1,0,0,0,1|0,0,0]=2 1078 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)F Z90123554 [0,1,0,0,0,1|0,0,0]=2 1079 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)Cl Z1259339984 [0,1,0,0,0,1|0,0,0]=2 1080 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)F Z818727022 [0,1,0,0,0,1|0,0,0]=2 1081 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)Br Z19691780 [0,1,0,0,0,1|0,0,0]=2 1082 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)Cl Z19691775 [0,1,0,0,0,1|0,0,0]=2 1083 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)F Z19691787 [0,1,0,0,0,1|0,0,0]=2 1084 B13R1.718 C=C(CN)COCC1=CC=CC=C1 Z4754712847 [0,1,0,0,0,1|2,0,0]=4 1085 B13R1.718 C=CC(=O)NCCC1=NC=CC=C1 Z440634010 [0,1,0,0,0,1|2,0,0]=4 1086 B13R1.718 CC(CO)OCCC1=CC=CC=C1 Z2235681135 [0,1,0,0,0,1|1,0,1]=4 1087 B13R1.718 CCC(=O)NCCC1=CC=CC=C1 Z27761616 [0,1,0,0,0,1|1,0,0]=3 1088 B13R1.718 CCC(=O)NOCC1=CC=CC=C1 Z225862544 [0,1,0,0,0,1|2,0,0]=4 1089 B13R1.718 CCC(O)CNCC1=CC=CC=C1 Z600449726 [0,1,0,0,0,1|1,0,1]=4 1090 B13R1.718 CNC(=O)CNCC1=CC=CC=C1 Z2752927061 [0,1,0,0,0,1|1,0,0]=3 1091 B13R1.718 COC(=O)CNCC1=CC=CC=C1 Z138464916 [0,1,0,0,0,1|0,0,0]=2 1092 B13R1.718 NCC(=O)NCCC1=CC=CC=C1 Z234895191 [0,1,0,0,0,1|1,0,0]=3 1093 B13R1.718 NNC(=O)CCCC1=CC=CC=C1 Z361890858 [0,1,0,0,0,1|1,0,0]=3 1094 B13R1.718 NNC(=O)CCOC1=CC=CC=C1 Z58982234 [0,1,0,0,0,1|1,0,0]=3 1095 B13R1.718 NNC(=S)NCCC1=CC=CC=C1 Z56828395 [0,1,0,0,0,1|1,1,0]=4 1096 B13R1.718 O=C(CCCC1=CC=CC=C1)NO Z361890960 [0,1,0,0,0,1|0,0,0]=2 1097 B13R1.718 O=C(CCOC1=CC=CC=C1)NO Z59182364 [0,1,0,0,0,1|0,0,0]=2 1098 B13R1.718 O=C(CCl)CCCC1=CC=CC=C1 Z1262478900 [0,1,0,0,0,1|1,0,0]=3 1099 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 Z56869446 [0,1,0,0,0,1|1,0,0]=3 1100 B13R1.718 O=C(CCl)NCCC1=NC=CC=C1 Z299693414 [0,1,0,0,0,1|2,0,0]=4 1101 B13R1.718 O=C(CCl)NOCC1=CC=CC=C1 Z147646766 [0,1,0,0,0,1|2,0,0]=4 1102 B13R1.3523 NS(=O)(=O)CCCC1=CC=CC=C1 Z820117348 [0,1,0,0,0,1|1,0,1]=4 1103 B13R1.3523 NS(=O)(=O)CCOC1=CC=CC=C1 Z839122596 [0,1,0,0,0,1|1,0,1]=4 1104 B13R1.3523 NS(=O)(=O)CCSC1=CC=CC=C1 Z1251373183 [0,1,0,0,0,1|1,0,1]=4 1105 B13R1.3523 O=S(=O)(Cl)CCSC1=CC=CC=C1 Z1203133316 [0,1,0,0,0,1|1,0,1]=4 1106 B13R1.3 CC(=O)NCC1=CC=C(C=C1)C=O Z1509193114 [0,2,0,0,0,0|2,0,0]=4 1107 B13R1.3 CCC1=CC=C(C=C1)/C=C/C(=O)O Z2942851866 [0,2,0,0,0,0|0,0,2]=4 1108 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)N Z62734438 [0,2,0,0,0,0|1,0,0]=3 1109 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)O Z85929397 [0,2,0,0,0,0|0,0,0]=2 1110 B13R1.3 CCC1=CC=C(C=C1)OCC(=O)O Z56824185 [0,2,0,0,0,0|1,0,0]=3 1111 B13R1.3 COC1=CC=C(C=C1)/C=C/C(=O)O Z56931888 [0,2,0,0,0,0|0,0,2]=4 1112 B13R1.3 COC1=CC=C(C=C1)C#CC(=O)O Z57100824 [0,2,0,0,0,0|0,0,2]=4 1113 B13R1.3 COC1=CC=C(C=C1)CCC(=O)N Z33545386 [0,2,0,0,0,0|1,0,0]=3 1114 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O Z104486868 [0,2,0,0,0,0|0,0,0]=2 1115 B13R1.3 COC1=CC=C(C=C1)CNC(=O)N Z198194812 [0,2,0,0,0,0|2,0,0]=4 1116 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O Z57229609 [0,2,0,0,0,0|1,0,0]=3 1117 B13R1.3 COC1=CC=C(C=C1)SCC(=O)N Z51312064 [0,2,0,0,0,0|2,0,0]=4 1118 B13R1.3 COC1=CC=C(C=C1)SCC(=O)O Z56770877 [0,2,0,0,0,0|1,0,0]=3 1119 B13R1.3 COC1=NC=C(C=C1)CCC(=O)O Z1255504957 [0,2,0,0,0,0|1,0,0]=3 1120 B13R1.3 CSC1=CC=C(C=C1)/C=C/C(=O)O Z2895087258 [0,2,0,0,0,0|0,0,2]=4 1121 B13R1.3 CSC1=CC=C(C=C1)CCC(=O)O Z363916360 [0,2,0,0,0,0|0,0,0]=2 1122 B13R1.3 N#CC1=CC=C(C=C1)/C=C/C(=O)O Z2942851604 [0,2,0,0,0,0|0,0,2]=4 1123 B13R1.3 N#CC1=CC=C(C=C1)CCC(=O)O Z178961286 [0,2,0,0,0,0|0,0,0]=2 1124 B13R1.3 N#CC1=CC=C(C=C1)NCC(=O)O Z331870794 [0,2,0,0,0,0|1,0,0]=3 1125 B13R1.3 N#CC1=CC=C(C=C1)OCC(=O)N Z19739846 [0,2,0,0,0,0|2,0,0]=4 1126 B13R1.3 N#CC1=CC=C(C=C1)OCC(=O)O Z56823031 [0,2,0,0,0,0|1,0,0]=3 1127 B13R1.3 N#CC1=CC=C(C=C1)SCC(=O)O Z331871190 [0,2,0,0,0,0|1,0,0]=3 1128 B13R1.3 N#CC1=CN=C(C=C1)NCC(=O)O Z281816324 [0,2,0,0,0,0|2,0,0]=4 1129 B13R1.3 NC(=O)COC1=CC=C(C=C1)C=O Z19658298 [0,2,0,0,0,0|2,0,0]=4 1130 B13R1.3 NCC1=CC=C(C=C1)CCC(=O)O Z3301412701 [0,2,0,0,0,0|0,0,0]=2 1131 B13R1.3 NCC1=CC=C(C=C1)OCC(=O)N Z228474638 [0,2,0,0,0,0|2,0,0]=4 1132 B13R1.3 O=C(O)CCC1=CC=C(C=C1)CO Z1262512949 [0,2,0,0,0,0|0,0,0]=2 1133 B13R1.3 O=C(O)COC1=CC=C(C=C1)CO Z359627548 [0,2,0,0,0,0|1,0,0]=3 1134 B13R1.3 O=CC1=CC=C(C=C1)/C=C/C(=O)O Z1255434745 [0,2,0,0,0,0|0,0,2]=4 1135 B13R1.3 O=CC1=CC=C(C=C1)CCC(=O)O Z1954800611 [0,2,0,0,0,0|0,0,0]=2 1136 B13R1.3 O=CC1=CC=C(C=C1)OCC(=O)O Z57305439 [0,2,0,0,0,0|1,0,0]=3 1137 B13R1.14 C=CC(=O)NCC1=CC=C(C=C1)F Z440633684 [0,2,0,0,0,0|2,0,0]=4 1138 B13R1.14 CC1=CC=C(C=C1)CNC(=O)CCl Z56886473 [0,2,0,0,0,0|2,0,0]=4 1139 B13R1.14 CC1=CC=C(C=C1)NCC(=O)NN Z56869291 [0,2,0,0,0,0|2,0,0]=4 1140 B13R1.14 CC1=CC=C(C=C1)SCC(=O)NN Z57985381 [0,2,0,0,0,0|2,0,0]=4 1141 B13R1.14 CCC(=O)CCC1=CC=C(C=C1)Br Z406378158 [0,2,0,0,0,0|1,0,0]=3 1142 B13R1.14 CCC(=O)CSC1=CC=C(C=C1)Cl Z916925670 [0,2,0,0,0,0|2,0,0]=4 1143 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)Br Z1336804093 [0,2,0,0,0,0|1,0,0]=3 1144 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)C Z192611328 [0,2,0,0,0,0|1,0,0]=3 1145 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)F Z135505342 [0,2,0,0,0,0|1,0,0]=3 1146 B13R1.14 CNC(=O)CNC1=CC=C(C=C1)C Z32016140 [0,2,0,0,0,0|2,0,0]=4 1147 B13R1.14 CNC(=O)COC1=CC=C(C=C1)Br Z19725438 [0,2,0,0,0,0|2,0,0]=4 1148 B13R1.14 CNC(=O)COC1=CC=C(C=C1)Cl Z19727266 [0,2,0,0,0,0|2,0,0]=4 1149 B13R1.14 CNC(=O)COC1=CC=C(C=C1)N Z285226602 [0,2,0,0,0,0|2,0,0]=4 1150 B13R1.14 CNC(=O)COC1=CC=C(C=C1)O Z381414890 [0,2,0,0,0,0|2,0,0]=4 1151 B13R1.14 CNC(=O)CSC1=CC=C(C=C1)C Z18769689 [0,2,0,0,0,0|2,0,0]=4 1152 B13R1.14 CNC(=O)CSC1=CC=C(C=C1)Cl Z19728420 [0,2,0,0,0,0|2,0,0]=4 1153 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Br Z18161847 [0,2,0,0,0,0|0,0,2]=4 1154 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)F Z18711475 [0,2,0,0,0,0|0,0,2]=4 1155 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)O Z24946550 [0,2,0,0,0,0|0,0,2]=4 1156 B13R1.14 COC(=O)CCC1=CC=C(C=C1)N Z802847350 [0,2,0,0,0,0|0,0,0]=2 1157 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O Z796576156 [0,2,0,0,0,0|0,0,0]=2 1158 B13R1.14 COC(=O)CNC1=NC=C(C=C1)Br Z359300516 [0,2,0,0,0,0|2,0,0]=4 1159 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br Z19221314 [0,2,0,0,0,0|1,0,0]=3 1160 B13R1.14 COC(=O)COC1=CC=C(C=C1)N Z57469153 [0,2,0,0,0,0|1,0,0]=3 1161 B13R1.14 COC(=O)COC1=CC=C(C=C1)O Z1190318463 [0,2,0,0,0,0|1,0,0]=3 1162 B13R1.14 COC(=O)CSC1=CC=C(C=C1)N Z5069220280 [0,2,0,0,0,0|1,0,0]=3 1163 B13R1.14 NNC(=O)CNC1=CC=C(C=C1)F Z56968886 [0,2,0,0,0,0|2,0,0]=4 1164 B13R1.14 NNC(=O)CNC1=CC=C(C=C1)I Z56797544 [0,2,0,0,0,0|2,0,0]=4 1165 B13R1.14 NNC(=O)COC1=CC=C(C=C1)Br Z56797458 [0,2,0,0,0,0|2,0,0]=4 1166 B13R1.14 NNC(=O)COC1=CC=C(C=C1)Cl Z56862620 [0,2,0,0,0,0|2,0,0]=4 1167 B13R1.14 NNC(=O)COC1=CC=C(C=C1)F Z56933789 [0,2,0,0,0,0|2,0,0]=4 1168 B13R1.14 NNC(=O)CSC1=CC=C(C=C1)Cl Z56853741 [0,2,0,0,0,0|2,0,0]=4 1169 B13R1.14 O=C(CCl)COC1=CC=C(C=C1)Cl Z1269140193 [0,2,0,0,0,0|2,0,0]=4 1170 B13R1.14 O=C(CCl)NCC1=CC=C(C=C1)Cl Z56896171 [0,2,0,0,0,0|2,0,0]=4 1171 B13R1.14 O=C(CCl)NCC1=CC=C(C=C1)F Z56822453 [0,2,0,0,0,0|2,0,0]=4 1172 B13R1.14 O=C(CO)NCC1=CC=C(C=C1)Cl Z199532110 [0,2,0,0,0,0|1,0,0]=3 1173 B13R1.14 O=C(CO)NCC1=CC=C(C=C1)F Z431953222 [0,2,0,0,0,0|1,0,0]=3 1174 B13R1.132 C/C(=C\C(=O)O)/C1=CC=C(C=C1)F Z352747294 [0,2,0,0,0,0|0,0,2]=4 1175 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Br Z56941083 [0,2,0,0,0,0|1,0,1]=4 1176 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)C Z56941082 [0,2,0,0,0,0|1,0,1]=4 1177 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl Z56876401 [0,2,0,0,0,0|1,0,1]=4 1178 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)F Z56911911 [0,2,0,0,0,0|1,0,1]=4 1179 B13R1.132 CC(=O)NC(C)C1=CC=C(C=C1)Br Z28030902 [0,2,0,0,0,0|2,0,0]=4 1180 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br Z1269234118 [0,2,0,0,0,0|0,0,0]=2 1181 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)F Z352782250 [0,2,0,0,0,0|0,0,0]=2 1182 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)N Z1262514048 [0,2,0,0,0,0|0,0,0]=2 1183 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O Z352782406 [0,2,0,0,0,0|0,0,0]=2 1184 B13R1.132 CC1=CC=C(C=C1)C(N)CC(=O)O Z56912034 [0,2,0,0,0,0|0,0,0]=2 1185 B13R1.132 CN(CC(=O)O)C1=NC=C(C=C1)Cl Z275027142 [0,2,0,0,0,0|2,0,0]=4 1186 B13R1.132 NC(=O)C[C@@H](N)C1=CC=C(C=C1)Cl Z1346385388 [0,2,0,0,0,0|1,0,0]=3 1187 B13R1.132 NC(=O)C[C@@H](N)C1=CC=C(C=C1)F Z1696091886 [0,2,0,0,0,0|1,0,0]=3 1188 B13R1.132 NC(=O)C[C@H](N)C1=CC=C(C=C1)Cl Z756926884 [0,2,0,0,0,0|1,0,0]=3 1189 B13R1.132 NC(=O)C[C@H](N)C1=CC=C(C=C1)F Z1696290104 [0,2,0,0,0,0|1,0,0]=3 1190 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br Z147647162 [0,2,0,0,0,0|0,0,0]=2 1191 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Cl Z56899122 [0,2,0,0,0,0|0,0,0]=2 1192 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)F Z56921163 [0,2,0,0,0,0|0,0,0]=2 1193 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Br Z1696824108 [0,2,0,0,0,0|0,0,0]=2 1194 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)F Z4935533100 [0,2,0,0,0,0|0,0,0]=2 1195 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)Cl Z982132070 [0,2,0,0,0,0|0,0,0]=2 1196 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)F Z982132094 [0,2,0,0,0,0|0,0,0]=2 1197 B13R1.132 O=C(O)CS(=O)C1=CC=C(C=C1)Cl Z802568764 [0,2,0,0,0,0|1,0,0]=3 1198 B13R1.133 C/C(=C\C1=CC=C(C=C1)F)/C(=O)O Z1350606414 [0,2,0,0,0,0|0,0,2]=4 1199 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)N Z1551999220 [0,2,0,0,0,0|1,0,0]=3 1200 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)O Z513659390 [0,2,0,0,0,0|0,0,0]=2 1201 B13R1.133 CC(CC1=CC=C(C=C1)Cl)C(=O)O Z513659166 [0,2,0,0,0,0|0,0,0]=2 1202 B13R1.133 CC(CC1=CC=C(C=C1)F)C(=O)O Z513658938 [0,2,0,0,0,0|0,0,0]=2 1203 B13R1.133 CC(CC1=CC=C(C=C1)N)C(=O)O Z1262515083 [0,2,0,0,0,0|0,0,0]=2 1204 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O Z56347385 [0,2,0,0,0,0|1,0,0]=3 1205 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)N Z19727416 [0,2,0,0,0,0|2,0,0]=4 1206 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O Z56922097 [0,2,0,0,0,0|1,0,0]=3 1207 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O Z90662162 [0,2,0,0,0,0|1,0,0]=3 1208 B13R1.133 CC(OC1=CC=C(C=C1)O)C(=O)N Z381414584 [0,2,0,0,0,0|2,0,0]=4 1209 B13R1.133 CC(SC1=CC=C(C=C1)Br)C(=O)N Z18744282 [0,2,0,0,0,0|2,0,0]=4 1210 B13R1.133 CC(SC1=CC=C(C=C1)Br)C(=O)O Z56278798 [0,2,0,0,0,0|1,0,0]=3 1211 B13R1.133 CC(SC1=CC=C(C=C1)Cl)C(=O)O Z55179957 [0,2,0,0,0,0|1,0,0]=3 1212 B13R1.133 CC(SC1=CC=C(C=C1)F)C(=O)N Z16034529 [0,2,0,0,0,0|2,0,0]=4 1213 B13R1.133 CC(SC1=CC=C(C=C1)F)C(=O)O Z56279369 [0,2,0,0,0,0|1,0,0]=3 1214 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O Z271004544 [0,2,0,0,0,0|0,0,1]=3 1215 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O Z513658700 [0,2,0,0,0,0|0,0,0]=2 1216 B13R1.133 CC1=CC=C(C=C1)CN(C)C(=O)N Z198194138 [0,2,0,0,0,0|2,0,0]=4 1217 B13R1.133 CC1=CC=C(C=C1)NC(=O)C(=O)O Z57984667 [0,2,0,0,0,0|1,0,1]=4 1218 B13R1.133 CC1=CC=C(C=C1)OC(C)C(=O)O Z56915889 [0,2,0,0,0,0|1,0,0]=3 1219 B13R1.133 CC1=CC=C(C=C1)SC(C)C(=O)N Z18769844 [0,2,0,0,0,0|2,0,0]=4 1220 B13R1.133 CC1=CC=C(C=C1)SC(C)C(=O)O Z56278800 [0,2,0,0,0,0|1,0,0]=3 1221 B13R1.133 C[C@H](OC1=CC=C(C=C1)Cl)C(=O)O Z1508916088 [0,2,0,0,0,0|1,0,0]=3 1222 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)Cl Z2065464318 [0,2,0,0,0,0|1,0,0]=3 1223 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O Z3211890270 [0,2,0,0,0,0|1,0,0]=3 1224 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O Z317024982 [0,2,0,0,0,0|0,0,0]=2 1225 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O Z57969728 [0,2,0,0,0,0|0,0,0]=2 1226 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O Z1263631851 [0,2,0,0,0,0|0,0,0]=2 1227 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O Z57127380 [0,2,0,0,0,0|0,0,0]=2 1228 B13R1.133 NC(CC1=CN=C(C=C1)O)C(=O)O Z3543676837 [0,2,0,0,0,0|1,0,0]=3 1229 B13R1.133 NC(CC1=NC=C(C=C1)Cl)C(=O)O Z3499018105 [0,2,0,0,0,0|1,0,0]=3 1230 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O Z995228058 [0,2,0,0,0,0|0,0,0]=2 1231 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O Z1269142887 [0,2,0,0,0,0|0,0,0]=2 1232 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O Z756440046 [0,2,0,0,0,0|0,0,0]=2 1233 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O Z995228428 [0,2,0,0,0,0|0,0,0]=2 1234 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O Z995228438 [0,2,0,0,0,0|0,0,0]=2 1235 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O Z1269112635 [0,2,0,0,0,0|0,0,0]=2 1236 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O Z969739284 [0,2,0,0,0,0|0,0,0]=2 1237 B13R1.133 O=C(O)C(=O)NC1=CC=C(C=C1)Cl Z90122505 [0,2,0,0,0,0|1,0,1]=4 1238 B13R1.133 O=C(O)C(Br)CC1=CC=C(C=C1)F Z57388220 [0,2,0,0,0,0|0,0,0]=2 1239 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)F Z1255373692 [0,2,0,0,0,0|0,0,0]=2 1240 B13R1.164 CC(=O)CCC1=C(C=C(C=C1)F)F Z963396602 [0,2,0,0,0,0|1,0,0]=3 1241 B13R1.164 CC(=O)NCC1=C(C=C(C=C1)Br)C Z1173171921 [0,2,0,0,0,0|2,0,0]=4 1242 B13R1.164 CC(=O)NCC1=C(C=C(C=C1)Br)Cl Z875712266 [0,2,0,0,0,0|2,0,0]=4 1243 B13R1.164 CC1=C(C=CC(=C1)Br)NCC(=O)O Z359505880 [0,2,0,0,0,0|1,0,0]=3 1244 B13R1.164 CC1=C(C=CC(=C1)Br)SCC(=O)O Z56790608 [0,2,0,0,0,0|1,0,0]=3 1245 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)N Z18757418 [0,2,0,0,0,0|2,0,0]=4 1246 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)O Z56824184 [0,2,0,0,0,0|1,0,0]=3 1247 B13R1.164 CC1=C(C=CC(=C1)F)CCC(=O)O Z959351776 [0,2,0,0,0,0|0,0,0]=2 1248 B13R1.164 CC1=CC(=C(C=C1)/C=C/C(=O)O)Br Z57033999 [0,2,0,0,0,0|0,0,2]=4 1249 B13R1.164 CC1=CC(=C(C=C1)/C=C/C(=O)O)C Z2312274886 [0,2,0,0,0,0|0,0,2]=4 1250 B13R1.164 CC1=CC(=C(C=C1)CCC(=O)N)C Z217351214 [0,2,0,0,0,0|1,0,0]=3 1251 B13R1.164 CC1=CC(=C(C=C1)CCC(=O)O)Br Z1269174749 [0,2,0,0,0,0|0,0,0]=2 1252 B13R1.164 CC1=CC(=C(C=C1)CCC(=O)O)C Z203050914 [0,2,0,0,0,0|0,0,0]=2 1253 B13R1.164 CC1=CC(=C(C=C1)CNC(=O)N)C Z736932612 [0,2,0,0,0,0|2,0,0]=4 1254 B13R1.164 CC1=CC(=C(C=C1)NCC(=O)N)Cl Z104753984 [0,2,0,0,0,0|2,0,0]=4 1255 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)N)Br Z18249661 [0,2,0,0,0,0|2,0,0]=4 1256 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)N)C Z17497975 [0,2,0,0,0,0|2,0,0]=4 1257 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)N)I Z1302477900 [0,2,0,0,0,0|2,0,0]=4 1258 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)O)Br Z57203202 [0,2,0,0,0,0|1,0,0]=3 1259 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)O)C Z57041994 [0,2,0,0,0,0|1,0,0]=3 1260 B13R1.164 CC1=CC(=C(C=C1)SCC(=O)N)C Z25047836 [0,2,0,0,0,0|2,0,0]=4 1261 B13R1.164 CC1=CC(=C(C=C1)SCC(=O)O)C Z55903769 [0,2,0,0,0,0|1,0,0]=3 1262 B13R1.164 CC1=NC(=O)C(=CN1)CCC(=O)O Z3478357064 [0,2,0,0,0,0|2,0,0]=4 1263 B13R1.164 NC(=O)CNC1=C(C=C(C=C1)Cl)F Z104829962 [0,2,0,0,0,0|2,0,0]=4 1264 B13R1.164 NC(=O)COC1=C(C=C(C=C1)Br)Br Z19738663 [0,2,0,0,0,0|2,0,0]=4 1265 B13R1.164 NC(=O)COC1=C(C=C(C=C1)Br)F Z25117855 [0,2,0,0,0,0|2,0,0]=4 1266 B13R1.164 NC(=O)COC1=C(C=C(C=C1)Cl)Br Z25078285 [0,2,0,0,0,0|2,0,0]=4 1267 B13R1.164 NC(=O)COC1=C(C=C(C=C1)Cl)Cl Z19743974 [0,2,0,0,0,0|2,0,0]=4 1268 B13R1.164 NC(=O)COC1=C(C=C(C=C1)F)Br Z25081029 [0,2,0,0,0,0|2,0,0]=4 1269 B13R1.164 NC(=O)CSC1=C(C=C(C=C1)F)F Z92456897 [0,2,0,0,0,0|2,0,0]=4 1270 B13R1.164 NC(=O)NCC1=C(C=C(C=C1)Cl)F Z1744387876 [0,2,0,0,0,0|2,0,0]=4 1271 B13R1.164 NC(=O)NCC1=C(C=C(C=C1)F)F Z933841108 [0,2,0,0,0,0|2,0,0]=4 1272 B13R1.164 O=C(O)C#CC1=C(C=C(C=C1)F)F Z1143242500 [0,2,0,0,0,0|0,0,2]=4 1273 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Br)F Z405046664 [0,2,0,0,0,0|0,0,0]=2 1274 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)Br Z1269115792 [0,2,0,0,0,0|0,0,0]=2 1275 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)Cl Z314668406 [0,2,0,0,0,0|0,0,0]=2 1276 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)F Z1269172595 [0,2,0,0,0,0|0,0,0]=2 1277 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)F)Br Z426022210 [0,2,0,0,0,0|0,0,0]=2 1278 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)F)Cl Z426022268 [0,2,0,0,0,0|0,0,0]=2 1279 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)F)F Z317037934 [0,2,0,0,0,0|0,0,0]=2 1280 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Br)Cl Z57050133 [0,2,0,0,0,0|1,0,0]=3 1281 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Br)F Z56923270 [0,2,0,0,0,0|1,0,0]=3 1282 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)Br Z56924479 [0,2,0,0,0,0|1,0,0]=3 1283 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)Cl Z56771026 [0,2,0,0,0,0|1,0,0]=3 1284 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)F Z1416161884 [0,2,0,0,0,0|1,0,0]=3 1285 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)Br Z56923211 [0,2,0,0,0,0|1,0,0]=3 1286 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)Cl Z65572085 [0,2,0,0,0,0|1,0,0]=3 1287 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)F Z239874904 [0,2,0,0,0,0|1,0,0]=3 1288 B13R1.164 O=C(O)COC1=C(C=C(C=C1)I)Br Z5018658198 [0,2,0,0,0,0|1,0,0]=3 1289 B13R1.164 O=C(O)CSC1=C(C=C(C=C1)Cl)Cl Z1269124447 [0,2,0,0,0,0|1,0,0]=3 1290 B13R1.164 O=C(O)CSC1=C(C=C(C=C1)F)F Z92456882 [0,2,0,0,0,0|1,0,0]=3 1291 B13R1.164 O=[N+]([O-])CCC1=C(C=C(C=C1)F)F Z3024469289 [0,2,0,0,0,0|1,0,1]=4 1292 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)Cl)Cl Z406376846 [0,2,0,0,0,0|1,0,0]=3 1293 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)F)F Z1021461268 [0,2,0,0,0,0|1,0,0]=3 1294 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)O)F Z1083021660 [0,2,0,0,0,0|1,0,0]=3 1295 B13R1.511 CC(=O)COC1=CC(=C(C=C1)F)F Z427845606 [0,2,0,0,0,0|2,0,0]=4 1296 B13R1.511 CC(=O)NCC1=CC(=C(C=C1)Cl)C Z1667602107 [0,2,0,0,0,0|2,0,0]=4 1297 B13R1.511 CC(=O)NCC1=CC(=C(C=C1)F)C Z212644652 [0,2,0,0,0,0|2,0,0]=4 1298 B13R1.511 CC1=C(C=C(C=C1)/C=C/C(=O)O)Cl Z2417572386 [0,2,0,0,0,0|0,0,2]=4 1299 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)C Z445853388 [0,2,0,0,0,0|0,0,0]=2 1300 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Cl Z185153284 [0,2,0,0,0,0|0,0,0]=2 1301 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)N)C Z18468931 [0,2,0,0,0,0|2,0,0]=4 1302 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)O)C Z56820874 [0,2,0,0,0,0|1,0,0]=3 1303 B13R1.511 CC1=C(C=C(C=C1)SCC(=O)N)C Z24835957 [0,2,0,0,0,0|2,0,0]=4 1304 B13R1.511 CC1=C(C=C(C=C1)SCC(=O)O)C Z55903758 [0,2,0,0,0,0|1,0,0]=3 1305 B13R1.511 CC1=C(C=CC(=C1)/C=C/C(=O)O)Br Z1269121998 [0,2,0,0,0,0|0,0,2]=4 1306 B13R1.511 CC1=C(C=CC(=C1)/C=C/C(=O)O)F Z2311791362 [0,2,0,0,0,0|0,0,2]=4 1307 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)N)Br Z1359984894 [0,2,0,0,0,0|1,0,0]=3 1308 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)O)Br Z1269176292 [0,2,0,0,0,0|0,0,0]=2 1309 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)N)Cl Z18758332 [0,2,0,0,0,0|2,0,0]=4 1310 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)N)N Z239127644 [0,2,0,0,0,0|2,0,0]=4 1311 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Br Z57204188 [0,2,0,0,0,0|1,0,0]=3 1312 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Cl Z56823032 [0,2,0,0,0,0|1,0,0]=3 1313 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)F Z1262524725 [0,2,0,0,0,0|1,0,0]=3 1314 B13R1.511 NC(=O)CCC1=CC(=C(C=C1)F)F Z365255896 [0,2,0,0,0,0|1,0,0]=3 1315 B13R1.511 NC(=O)COC1=CC(=C(C=C1)Cl)Cl Z18431658 [0,2,0,0,0,0|2,0,0]=4 1316 B13R1.511 NC(=O)COC1=CC(=C(C=C1)F)Cl Z18430744 [0,2,0,0,0,0|2,0,0]=4 1317 B13R1.511 NC(=O)NCC1=CC(=C(C=C1)F)Cl Z992427188 [0,2,0,0,0,0|2,0,0]=4 1318 B13R1.511 NC(=O)NCC1=CC(=C(C=C1)I)Cl Z2007148452 [0,2,0,0,0,0|2,0,0]=4 1319 B13R1.511 NC(=O)NCC1=CC(=C(C=C1)O)F Z1244088772 [0,2,0,0,0,0|2,0,0]=4 1320 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)Br)Cl Z2942851660 [0,2,0,0,0,0|0,0,2]=4 1321 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)Cl)Cl Z56895731 [0,2,0,0,0,0|0,0,2]=4 1322 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)F)Cl Z2942852367 [0,2,0,0,0,0|0,0,2]=4 1323 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)F)F Z2942853625 [0,2,0,0,0,0|0,0,2]=4 1324 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)O)O Z240113804 [0,2,0,0,0,0|0,0,2]=4 1325 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Br)Cl Z57039611 [0,2,0,0,0,0|0,0,0]=2 1326 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)Cl Z237515176 [0,2,0,0,0,0|0,0,0]=2 1327 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)F Z838969840 [0,2,0,0,0,0|0,0,0]=2 1328 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)O)Cl Z839165388 [0,2,0,0,0,0|0,0,0]=2 1329 B13R1.511 O=C(O)COC1=CC(=C(C=C1)Cl)Cl Z65558737 [0,2,0,0,0,0|1,0,0]=3 1330 B13R1.511 O=C(O)COC1=CC(=C(C=C1)Cl)F Z1486018170 [0,2,0,0,0,0|1,0,0]=3 1331 B13R1.511 O=C(O)COC1=CC(=C(C=C1)F)Cl Z65577990 [0,2,0,0,0,0|1,0,0]=3 1332 B13R1.511 O=C(O)COC1=CC(=C(C=C1)F)F Z228583518 [0,2,0,0,0,0|1,0,0]=3 1333 B13R1.511 O=C(O)CSC1=CC(=C(C=C1)F)F Z92655191 [0,2,0,0,0,0|1,0,0]=3 1334 B13R1.512 CC1=CC=C(C=C1)CCS(=O)(=O)N Z1255386626 [0,2,0,0,0,0|1,0,1]=4 1335 B13R1.512 CS(=O)(=O)CCC1=CC=C(C=C1)N Z732208102 [0,2,0,0,0,0|1,0,1]=4 1336 B13R1.512 NC1=CC=C(C=C1)CCS(=O)(=O)N Z56761663 [0,2,0,0,0,0|1,0,1]=4 1337 B13R1.512 NS(=O)(=O)CCC1=CC=C(C=C1)Br Z1622956442 [0,2,0,0,0,0|1,0,1]=4 1338 B13R1.512 NS(=O)(=O)CCC1=CC=C(C=C1)Cl Z1269139968 [0,2,0,0,0,0|1,0,1]=4 1339 B13R1.11 C=CC(=O)N[C@@H](C)C1=CC=CC=C1 Z1165166436 [0,2,0,0,0,0|2,0,0]=4 1340 B13R1.11 C=CC(=O)N[C@H](C)C1=CC=CC=C1 Z1165166451 [0,2,0,0,0,0|2,0,0]=4 1341 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 Z56891403 [0,2,0,0,0,0|2,0,0]=4 1342 B13R1.11 CCC(=O)CC(=O)C1=CC=CC=C1 Z359504792 [0,2,0,0,0,0|1,0,1]=4 1343 B13R1.11 CCC(=O)NC(C)C1=CC=CC=C1 Z31450130 [0,2,0,0,0,0|2,0,0]=4 1344 B13R1.11 CNC(=O)CC(C)C1=CC=NC=C1 Z1400394783 [0,2,0,0,0,0|2,0,0]=4 1345 B13R1.11 COC(=O)CC(=O)C1=CC=NC=C1 Z336079818 [0,2,0,0,0,0|1,0,1]=4 1346 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 Z139720848 [0,2,0,0,0,0|0,0,0]=2 1347 B13R1.11 C[C@@H](NC(=O)CCl)C1=CC=CC=C1 Z1165166439 [0,2,0,0,0,0|2,0,0]=4 1348 B13R1.15 CC1=CC(=CC=C1)CNC(=O)CCl Z600514202 [0,2,0,0,0,0|2,0,0]=4 1349 B13R1.15 CC1=CC(=CC=C1)OCC(=O)NN Z56862410 [0,2,0,0,0,0|2,0,0]=4 1350 B13R1.15 CNC(=O)CNC1=CC(=CC=C1)C Z104589456 [0,2,0,0,0,0|2,0,0]=4 1351 B13R1.15 CNC(=O)CNC1=CC(=CC=C1)F Z104640814 [0,2,0,0,0,0|2,0,0]=4 1352 B13R1.15 CNC(=O)COC1=CC(=CC=C1)Br Z19736342 [0,2,0,0,0,0|2,0,0]=4 1353 B13R1.15 CNC(=O)COC1=CC(=CC=C1)Cl Z19740536 [0,2,0,0,0,0|2,0,0]=4 1354 B13R1.15 CNC(=O)COC1=CC(=CC=C1)F Z19755334 [0,2,0,0,0,0|2,0,0]=4 1355 B13R1.15 CNC(=O)COC1=CC(=CC=C1)I Z25075928 [0,2,0,0,0,0|2,0,0]=4 1356 B13R1.15 CNC(=O)COC1=CC(=CC=C1)N Z285226606 [0,2,0,0,0,0|2,0,0]=4 1357 B13R1.15 COC(=O)/C=C/C1=CC(=CC=C1)C Z24506079 [0,2,0,0,0,0|0,0,2]=4 1358 B13R1.15 COC(=O)C#CC1=CC(=CC=C1)Br Z1235950689 [0,2,0,0,0,0|0,0,2]=4 1359 B13R1.15 COC(=O)CCC1=CC(=CC=C1)N Z1255441375 [0,2,0,0,0,0|0,0,0]=2 1360 B13R1.15 COC(=O)CNC1=CC(=CC=C1)F Z297575610 [0,2,0,0,0,0|1,0,0]=3 1361 B13R1.15 COC(=O)CNC1=NC(=CC=C1)C Z600403462 [0,2,0,0,0,0|2,0,0]=4 1362 B13R1.15 COC(=O)COC1=CC(=CC=C1)Br Z18308995 [0,2,0,0,0,0|1,0,0]=3 1363 B13R1.15 COC(=O)COC1=CC(=CC=C1)N Z367678732 [0,2,0,0,0,0|1,0,0]=3 1364 B13R1.15 COC(=O)NCC1=CC(=CC=C1)O Z728883650 [0,2,0,0,0,0|1,0,0]=3 1365 B13R1.15 NNC(=O)COC1=CC(=CC=C1)Br Z56934831 [0,2,0,0,0,0|2,0,0]=4 1366 B13R1.15 NNC(=O)COC1=CC(=CC=C1)F Z56869400 [0,2,0,0,0,0|2,0,0]=4 1367 B13R1.15 O=C(CCl)NCC1=CC(=CC=C1)Br Z381548074 [0,2,0,0,0,0|2,0,0]=4 1368 B13R1.15 O=C(CCl)NCC1=CC(=CC=C1)Cl Z56346814 [0,2,0,0,0,0|2,0,0]=4 1369 B13R1.15 O=C(CCl)NCC1=CC=CC(=C1)F Z362629546 [0,2,0,0,0,0|2,0,0]=4 1370 B13R1.42 C/C=C/C(=O)NCC1=CC=CC=C1 Z27749594 [0,2,0,0,0,0|2,0,0]=4 1371 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 Z406377440 [0,2,0,0,0,0|1,0,0]=3 1372 B13R1.42 CCNC(=O)NCC1=CC=CC=C1 Z44585735 [0,2,0,0,0,0|2,0,0]=4 1373 B13R1.42 CCNC(=O)OCC1=CC=CC=C1 Z32025015 [0,2,0,0,0,0|2,0,0]=4 1374 B13R1.42 CCOC(=O)/C=C/C1=CC=CC=C1 Z53834692 [0,2,0,0,0,0|0,0,2]=4 1375 B13R1.42 CCOC(=O)COC1=CN=CC=C1 Z927645634 [0,2,0,0,0,0|2,0,0]=4 1376 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 Z31478129 [0,2,0,0,0,0|1,0,0]=3 1377 B13R1.42 CNCC(=O)NCC1=CC=CC=C1 Z46191183 [0,2,0,0,0,0|2,0,0]=4 1378 B13R1.42 COCC(=O)NCC1=CC=CC=C1 Z31478538 [0,2,0,0,0,0|1,0,0]=3 1379 B13R1.42 CONC(=O)CCC1=CC=CC=C1 Z254325116 [0,2,0,0,0,0|0,0,0]=2 1380 B13R1.42 CSCC(=O)NCC1=CC=CC=C1 Z27748784 [0,2,0,0,0,0|1,1,0]=4 1381 B13R1.42 N#CCC(=O)CCC1=CC=CC=C1 Z360167300 [0,2,0,0,0,0|1,0,0]=3 1382 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 Z56809221 [0,2,0,0,0,0|2,0,0]=4 1383 B13R1.42 NCCC(=O)NCC1=CC=CC=C1 Z285214492 [0,2,0,0,0,0|2,0,0]=4 1384 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 Z1436181402 [0,2,0,0,0,0|2,0,0]=4 1385 B13R1.42 NCCC(O)CCC1=CC=CC=C1 Z1255452410 [0,2,0,0,0,0|1,0,1]=4 1386 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CCl Z56862395 [0,2,0,0,0,0|2,0,0]=4 1387 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CN Z54748693 [0,2,0,0,0,0|2,0,0]=4 1388 B13R1.135 CNC(=O)C(C)OC1=CC=CC=C1 Z32016970 [0,2,0,0,0,0|2,0,0]=4 1389 B13R1.135 CNC(=O)C(C)SC1=CC=CC=C1 Z30271703 [0,2,0,0,0,0|2,0,0]=4 1390 B13R1.135 CNC(=O)C(N)CC1=CC=CC=C1 Z1449756300 [0,2,0,0,0,0|1,0,0]=3 1391 B13R1.135 CNC(=O)N(C)CC1=CC=CC=C1 Z177087670 [0,2,0,0,0,0|2,0,0]=4 1392 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 Z56867313 [0,2,0,0,0,0|0,0,0]=2 1393 B13R1.135 COC(=O)C(N)CC1=CC=NC=C1 Z2197092950 [0,2,0,0,0,0|1,0,0]=3 1394 B13R1.135 COC(=O)C(N)CC1=NC=CC=N1 Z5222614167 [0,2,0,0,0,0|2,0,0]=4 1395 B13R1.528 CC1=C(C=CC=C1)CNC(=O)CCl Z147651714 [0,2,0,0,0,0|2,0,0]=4 1396 B13R1.528 CC1=C(C=CC=C1)OCC(=O)NN Z56869405 [0,2,0,0,0,0|2,0,0]=4 1397 B13R1.528 CCC(=O)NCC1=C(C=CC=C1)C Z52337400 [0,2,0,0,0,0|2,0,0]=4 1398 B13R1.528 CCC(=O)NCC1=C(C=CC=C1)F Z29857782 [0,2,0,0,0,0|2,0,0]=4 1399 B13R1.528 CNC(=O)CCC1=C(C=CC=C1)Br Z605596238 [0,2,0,0,0,0|1,0,0]=3 1400 B13R1.528 CNC(=O)CCC1=C(C=CC=C1)Cl Z32015398 [0,2,0,0,0,0|1,0,0]=3 1401 B13R1.528 CNC(=O)CCC1=C(C=CC=C1)O Z242124126 [0,2,0,0,0,0|1,0,0]=3 1402 B13R1.528 CNC(=O)CNC1=C(C=CC=C1)C Z104590808 [0,2,0,0,0,0|2,0,0]=4 1403 B13R1.528 CNC(=O)COC1=C(C=CC=C1)Br Z17828979 [0,2,0,0,0,0|2,0,0]=4 1404 B13R1.528 CNC(=O)COC1=C(C=CC=C1)C Z19733600 [0,2,0,0,0,0|2,0,0]=4 1405 B13R1.528 CNC(=O)COC1=C(C=CC=C1)Cl Z19726352 [0,2,0,0,0,0|2,0,0]=4 1406 B13R1.528 CNC(=O)COC1=C(C=CC=C1)F Z19724524 [0,2,0,0,0,0|2,0,0]=4 1407 B13R1.528 CNC(=O)COC1=C(C=CC=C1)O Z32016981 [0,2,0,0,0,0|2,0,0]=4 1408 B13R1.528 CNC(=O)CSC1=C(C=CC=C1)Br Z149386734 [0,2,0,0,0,0|2,0,0]=4 1409 B13R1.528 CNC(=O)CSC1=C(C=CC=C1)Cl Z18459061 [0,2,0,0,0,0|2,0,0]=4 1410 B13R1.528 CNC(=O)CSC1=C(C=CC=C1)F Z18098050 [0,2,0,0,0,0|2,0,0]=4 1411 B13R1.528 COC(=O)COC1=C(C=CC=C1)Br Z54831244 [0,2,0,0,0,0|1,0,0]=3 1412 B13R1.528 COC(=O)CSC1=C(C=CC=C1)O Z905204662 [0,2,0,0,0,0|1,0,0]=3 1413 B13R1.528 NCC(=O)OCC1=C(C=CC=C1)Cl Z1267881712 [0,2,0,0,0,0|2,0,0]=4 1414 B13R1.528 NNC(=O)CCC1=C(C=CC=C1)O Z56754987 [0,2,0,0,0,0|1,0,0]=3 1415 B13R1.528 NNC(=O)CNC1=C(C=CC=C1)F Z56869293 [0,2,0,0,0,0|2,0,0]=4 1416 B13R1.528 NNC(=O)COC1=C(C=CC=C1)Cl Z56867221 [0,2,0,0,0,0|2,0,0]=4 1417 B13R1.528 NNC(=O)COC1=C(C=CC=C1)F Z56823441 [0,2,0,0,0,0|2,0,0]=4 1418 B13R1.528 NNC(=O)COC1=C(C=CC=C1)O Z56767604 [0,2,0,0,0,0|2,0,0]=4 1419 B13R1.528 NNC(=O)CSC1=C(C=CC=C1)F Z58983585 [0,2,0,0,0,0|2,0,0]=4 1420 B13R1.528 O=C(CCl)NCC1=C(C=CC=C1)Cl Z56896258 [0,2,0,0,0,0|2,0,0]=4 1421 B13R1.528 O=C(CCl)NCC1=C(C=CC=C1)F Z62500003 [0,2,0,0,0,0|2,0,0]=4 1422 B13R1.528 O=C(CO)NCC1=C(C=CC=C1)Cl Z431953010 [0,2,0,0,0,0|1,0,0]=3 1423 B13R1.528 O=C(COC1=C(C=CC=C1)O)NO Z57931373 [0,2,0,0,0,0|1,0,0]=3 1424 B13R1.148 CC(=O)N(C)CC1=CC(=CC=C1)N Z368504818 [0,2,0,0,0,0|2,0,0]=4 1425 B13R1.148 CC(CC1=CC(=CC=C1)Cl)C(=O)O Z513660282 [0,2,0,0,0,0|0,0,0]=2 1426 B13R1.148 CC(CC1=CC(=CC=C1)F)C(=O)O Z513660066 [0,2,0,0,0,0|0,0,0]=2 1427 B13R1.148 CC(OC1=CC(=CC=C1)Br)C(=O)O Z228583330 [0,2,0,0,0,0|1,0,0]=3 1428 B13R1.148 CC(OC1=CC(=CC=C1)Cl)C(=O)N Z19740686 [0,2,0,0,0,0|2,0,0]=4 1429 B13R1.148 CC(OC1=CC(=CC=C1)Cl)C(=O)O Z57042071 [0,2,0,0,0,0|1,0,0]=3 1430 B13R1.148 CC(OC1=CC(=CC=C1)F)C(=O)O Z228583338 [0,2,0,0,0,0|1,0,0]=3 1431 B13R1.148 CC(OC1=CC(=CC=C1)N)C(=O)O Z274525908 [0,2,0,0,0,0|1,0,0]=3 1432 B13R1.148 CC(OC1=CC(=CC=C1)O)C(=O)N Z381415416 [0,2,0,0,0,0|2,0,0]=4 1433 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O Z2470414651 [0,2,0,0,0,0|0,0,0]=2 1434 B13R1.148 CC1=CC(=CN=C1)CC(N)C(=O)O Z3401637181 [0,2,0,0,0,0|1,0,0]=3 1435 B13R1.148 CC1=CC=CC(=C1)OC(C)C(=O)N Z19732836 [0,2,0,0,0,0|2,0,0]=4 1436 B13R1.148 CC1=CC=CC(=C1)OC(C)C(=O)O Z56917379 [0,2,0,0,0,0|1,0,0]=3 1437 B13R1.148 CC1=NC(=CC=C1)CC(N)C(=O)O Z4910394436 [0,2,0,0,0,0|1,0,0]=3 1438 B13R1.148 C[N+]1=CC(=CC=C1)CC(N)C(=O)O Z3827376923 [0,2,0,0,0,0|1,0,0]=3 1439 B13R1.148 NC(CC1=CC(=CC=C1)Br)C(=O)O Z1770192944 [0,2,0,0,0,0|0,0,0]=2 1440 B13R1.148 NC(CC1=CC(=CC=C1)Cl)C(=O)O Z1374884687 [0,2,0,0,0,0|0,0,0]=2 1441 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O Z317025828 [0,2,0,0,0,0|0,0,0]=2 1442 B13R1.148 NC(CC1=CC(=CN=C1)Br)C(=O)O Z3444795124 [0,2,0,0,0,0|1,0,0]=3 1443 B13R1.148 NC(CC1=CC(=CN=C1)Cl)C(=O)O Z3353591955 [0,2,0,0,0,0|1,0,0]=3 1444 B13R1.148 NC(CC1=CC(=CN=C1)F)C(=O)O Z3376051877 [0,2,0,0,0,0|1,0,0]=3 1445 B13R1.148 NC(CC1=CC(=CN=C1)O)C(=O)O Z3400819408 [0,2,0,0,0,0|1,0,0]=3 1446 B13R1.148 NC(CC1=CC(=NC=C1)O)C(=O)O Z3481534727 [0,2,0,0,0,0|1,0,0]=3 1447 B13R1.148 NC(CC1=NC(=CC=N1)O)C(=O)O Z3326140144 [0,2,0,0,0,0|2,0,0]=4 1448 B13R1.148 NC(CC1=NC=CC(=C1)Cl)C(=O)O Z3780525124 [0,2,0,0,0,0|1,0,0]=3 1449 B13R1.148 NC(CC1=NC=NC(=C1)O)C(=O)O Z3531845722 [0,2,0,0,0,0|2,0,0]=4 1450 B13R1.148 NC1=CC(=NC=C1)CC(N)C(=O)O Z3400147310 [0,2,0,0,0,0|1,0,0]=3 1451 B13R1.148 N[C@@H](CC1=CC(=CC=C1)O)C(=O)O Z995228186 [0,2,0,0,0,0|0,0,0]=2 1452 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O Z995228562 [0,2,0,0,0,0|0,0,0]=2 1453 B13R1.148 O=C(O)C(O)CC1=CC(=CC=C1)Cl Z1269030667 [0,2,0,0,0,0|0,0,0]=2 1454 B13R1.152 CC(C(=O)O)C(N)C1=CC=CC=C1 Z1272096620 [0,2,0,0,0,0|0,0,0]=2 1455 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)N Z2182115487 [0,2,0,0,0,0|1,0,0]=3 1456 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)O Z802846100 [0,2,0,0,0,0|0,0,0]=2 1457 B13R1.152 CC(C1=CC=CC=C1)C(O)C(=O)O Z802846688 [0,2,0,0,0,0|0,0,0]=2 1458 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 Z1649893051 [0,2,0,0,0,0|0,0,0]=2 1459 B13R1.202 CC(=O)N(C)CC1=C(C=CC=C1)N Z362599820 [0,2,0,0,0,0|2,0,0]=4 1460 B13R1.202 CC(CC1=C(C=CC=C1)Cl)C(=O)O Z513661398 [0,2,0,0,0,0|0,0,0]=2 1461 B13R1.202 CC(CC1=C(C=CC=C1)F)C(=O)O Z513661176 [0,2,0,0,0,0|0,0,0]=2 1462 B13R1.202 CC(OC1=C(C=CC=C1)Br)C(=O)O Z228583522 [0,2,0,0,0,0|1,0,0]=3 1463 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)N Z19726502 [0,2,0,0,0,0|2,0,0]=4 1464 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)O Z65532924 [0,2,0,0,0,0|1,0,0]=3 1465 B13R1.202 CC(OC1=C(C=CC=C1)F)C(=O)O Z65532537 [0,2,0,0,0,0|1,0,0]=3 1466 B13R1.202 CC(SC1=C(C=CC=C1)Br)C(=O)N Z166221244 [0,2,0,0,0,0|2,0,0]=4 1467 B13R1.202 CC(SC1=C(C=CC=C1)Cl)C(=O)N Z18459330 [0,2,0,0,0,0|2,0,0]=4 1468 B13R1.202 CC(SC1=C(C=CC=C1)Cl)C(=O)O Z56278782 [0,2,0,0,0,0|1,0,0]=3 1469 B13R1.202 CC(SC1=C(C=CC=C1)F)C(=O)N Z18098319 [0,2,0,0,0,0|2,0,0]=4 1470 B13R1.202 CC1=C(C=CC=C1)CC(C)C(=O)O Z513660952 [0,2,0,0,0,0|0,0,0]=2 1471 B13R1.202 CC1=C(C=CC=C1)OC(C)C(=O)N Z19733750 [0,2,0,0,0,0|2,0,0]=4 1472 B13R1.202 NC(=O)C(N)CC1=C(C=CC=C1)Cl Z1258519447 [0,2,0,0,0,0|1,0,0]=3 1473 B13R1.202 NC(CC1=C(C=CC=C1)Br)C(=O)O Z2217033050 [0,2,0,0,0,0|0,0,0]=2 1474 B13R1.202 NC(CC1=C(C=CC=C1)O)C(=O)O Z1065645436 [0,2,0,0,0,0|0,0,0]=2 1475 B13R1.202 NC(CC1=C(N=CC=C1)O)C(=O)O Z3492296846 [0,2,0,0,0,0|1,0,0]=3 1476 B13R1.202 NC(CC1=CN=CNC1=O)C(=O)O Z1510031321 [0,2,0,0,0,0|2,0,0]=4 1477 B13R1.202 O=C(O)C(O)CC1=C(C=CC=C1)Cl Z1269030424 [0,2,0,0,0,0|0,0,0]=2 1478 B13R1.353 O=S(=O)([O-])C(O)CC1=CC=CC=C1 Z1836638623 [0,2,0,0,0,0|1,0,1]=4 1479 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)O Z513624620 [0,2,0,0,0,0|0,0,0]=2 1480 B13R1.418 CCC(NC1=CC=CC=C1)C(=O)N Z727617676 [0,2,0,0,0,0|2,0,0]=4 1481 B13R1.418 CCC(NC1=CC=CC=C1)C(=O)O Z274534828 [0,2,0,0,0,0|1,0,0]=3 1482 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O Z104484470 [0,2,0,0,0,0|1,0,0]=3 1483 B13R1.418 CCC(SC1=CC=CC=C1)C(=O)O Z149157470 [0,2,0,0,0,0|1,0,0]=3 1484 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O Z446011606 [0,2,0,0,0,0|0,0,0]=2 1485 B13R1.418 COC(CC1=CC=CC=C1)C(=O)N Z2233706113 [0,2,0,0,0,0|1,0,0]=3 1486 B13R1.418 COC(CC1=CC=CC=C1)C(=O)O Z1258977185 [0,2,0,0,0,0|0,0,0]=2 1487 B13R1.418 N#C/C(=C/C1=CC=CC=C1)/C(=O)O Z44303374 [0,2,0,0,0,0|0,0,2]=4 1488 B13R1.418 NC(=O)N(CC1=CC=CC=C1)N=O Z1262622772 [0,2,0,0,0,0|2,0,0]=4 1489 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O Z1258578382 [0,2,0,0,0,0|0,0,0]=2 1490 B13R1.418 NCC(CC1=CC=NC=C1)C(=O)O Z2382197013 [0,2,0,0,0,0|1,0,0]=3 1491 B13R1.418 NCC(CC1=CN=CC=C1)C(=O)O Z1601464443 [0,2,0,0,0,0|1,0,0]=3 1492 B13R1.418 NCC(CC1=NC=CC=C1)C(=O)O Z1259273372 [0,2,0,0,0,0|1,0,0]=3 1493 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O Z995179618 [0,2,0,0,0,0|0,0,0]=2 1494 B13R1.1073 CC(C)(NC1=CC=CC=C1)C(=O)N Z727617504 [0,2,0,0,0,0|2,0,0]=4 1495 B13R1.1073 CC(C)(NC1=CC=CC=C1)C(=O)O Z274535156 [0,2,0,0,0,0|1,0,0]=3 1496 B13R1.1073 CC(C)(NC1=NC=CC=C1)C(=O)O Z1416165025 [0,2,0,0,0,0|2,0,0]=4 1497 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O Z640389616 [0,2,0,0,0,0|1,0,0]=3 1498 B13R1.1073 CC(C)(OC1=CN=CC=C1)C(=O)O Z1255405619 [0,2,0,0,0,0|2,0,0]=4 1499 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O Z2680629352 [0,2,0,0,0,0|0,0,0]=2 1500 B13R1.1073 CC(N)(CC1=CC=NC=C1)C(=O)O Z1251361035 [0,2,0,0,0,0|1,0,0]=3 1501 B13R1.1073 CC(N)(CC1=NC=CC=C1)C(=O)O Z4830335089 [0,2,0,0,0,0|1,0,0]=3 1502 B13R1.1073 CC(O)(CC1=CC=CC=C1)C(=O)O Z1079110682 [0,2,0,0,0,0|0,0,0]=2 1503 B13R1.1073 C[C@@](O)(CC1=CC=CC=C1)C(=O)O Z1198165765 [0,2,0,0,0,0|0,0,0]=2 1504 B13R1.1073 C[C@](O)(CC1=CC=CC=C1)C(=O)O Z1198165764 [0,2,0,0,0,0|0,0,0]=2 1505 B13R1.1073 O=C(O)C(F)(F)OC1=CC=CC=C1 Z445134424 [0,2,0,0,0,0|1,0,0]=3 1506 B13R1.147 C/C(=C\C(=O)O)/C1=CC(=CC=C1)Br Z352748382 [0,2,0,0,0,0|0,0,2]=4 1507 B13R1.147 C/C(=C\C(=O)O)/C1=CC(=CC=C1)Cl Z352746932 [0,2,0,0,0,0|0,0,2]=4 1508 B13R1.147 C/C(=C\C(=O)O)/C1=CC(=CC=C1)F Z352748162 [0,2,0,0,0,0|0,0,2]=4 1509 B13R1.147 CC(=O)CC(=O)C1=CC(=CC=C1)Cl Z228582718 [0,2,0,0,0,0|1,0,1]=4 1510 B13R1.147 CC(=O)NC(C)C1=CC(=CC=C1)Br Z355054578 [0,2,0,0,0,0|2,0,0]=4 1511 B13R1.147 CC(=O)NC(C)C1=CC(=CC=C1)Cl Z27637837 [0,2,0,0,0,0|2,0,0]=4 1512 B13R1.147 CC(=O)NC(C)C1=CC(=CC=C1)F Z28545555 [0,2,0,0,0,0|2,0,0]=4 1513 B13R1.147 CC(CC(=O)O)C1=CC(=CC=C1)F Z352781822 [0,2,0,0,0,0|0,0,0]=2 1514 B13R1.147 CC1=CC(=CC=C1)C(N)CC(=O)O Z317027260 [0,2,0,0,0,0|0,0,0]=2 1515 B13R1.147 NC(=O)C[C@@H](N)C1=CC(=CC=C1)Cl Z1346385500 [0,2,0,0,0,0|1,0,0]=3 1516 B13R1.147 NC(=O)C[C@H](N)C1=CC(=CC=C1)Cl Z756926892 [0,2,0,0,0,0|1,0,0]=3 1517 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)Br Z56899123 [0,2,0,0,0,0|0,0,0]=2 1518 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)Cl Z317027314 [0,2,0,0,0,0|0,0,0]=2 1519 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)O Z352252742 [0,2,0,0,0,0|0,0,0]=2 1520 B13R1.147 NC1=CC=CC(=C1)C(N)CC(=O)O Z1198161215 [0,2,0,0,0,0|0,0,0]=2 1521 B13R1.147 O=C(O)CC(O)C1=CC(=CC=C1)F Z982132016 [0,2,0,0,0,0|0,0,0]=2 1522 B13R1.201 C/C(=C\C(=O)O)/C1=C(C=CC=C1)F Z352747962 [0,2,0,0,0,0|0,0,2]=4 1523 B13R1.201 CC(=O)CC(=O)C1=C(C=CC=C1)Cl Z228582702 [0,2,0,0,0,0|1,0,1]=4 1524 B13R1.201 CC(=O)NC(C)C1=C(C=CC=C1)Br Z28116257 [0,2,0,0,0,0|2,0,0]=4 1525 B13R1.201 CC(CC(=O)O)C1=C(C=CC=C1)Br Z729841796 [0,2,0,0,0,0|0,0,0]=2 1526 B13R1.201 CC(CC(=O)O)C1=C(C=CC=C1)F Z352782394 [0,2,0,0,0,0|0,0,0]=2 1527 B13R1.201 CC1=C(C=CC=C1)/C(=C/C(=O)O)/C Z352748716 [0,2,0,0,0,0|0,0,2]=4 1528 B13R1.201 CC1=C(C=CC=C1)C(C)CC(=O)O Z352782580 [0,2,0,0,0,0|0,0,0]=2 1529 B13R1.201 CC1=C(C=CC=C1)C(N)CC(=O)O Z317027322 [0,2,0,0,0,0|0,0,0]=2 1530 B13R1.201 CC1=C(C=CC=C1)[C@@H](N)CC(=O)O Z1270399998 [0,2,0,0,0,0|0,0,0]=2 1531 B13R1.201 NC(=O)C[C@@H](N)C1=C(C=CC=C1)Cl Z1346385532 [0,2,0,0,0,0|1,0,0]=3 1532 B13R1.201 NC(=O)C[C@H](N)C1=C(C=CC=C1)Cl Z1696289879 [0,2,0,0,0,0|1,0,0]=3 1533 B13R1.201 NC(CC(=O)O)C1=C(C=CC=C1)Cl Z56854346 [0,2,0,0,0,0|0,0,0]=2 1534 B13R1.201 NC(CC(=O)O)C1=C(C=CC=C1)F Z56782527 [0,2,0,0,0,0|0,0,0]=2 1535 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 Z57066885 [0,2,0,0,0,0|2,0,0]=4 1536 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 Z752371312 [0,2,0,0,0,0|0,0,0]=2 1537 B13R1.347 CC(O)(CC(=O)O)C1=CC=CC=C1 Z982131900 [0,2,0,0,0,0|0,0,0]=2 1538 B13R1.347 CC(O)CC(C)(C)C1=CC=CC=C1 Z445987050 [0,2,0,0,0,0|1,0,1]=4 1539 B13R1.347 NC(=O)CS(=O)(=O)C1=CC=CC=C1 Z19128437 [0,2,0,0,0,0|2,0,0]=4 1540 B13R1.352 CC(CS(=O)(=O)N)C1=CC=CC=C1 Z954606858 [0,2,0,0,0,0|1,0,1]=4 1541 B13R1.352 CS(=O)(=O)CC(N)C1=CC=CC=C1 Z1333043359 [0,2,0,0,0,0|1,0,1]=4 1542 B13R1.352 CS(=O)(=O)CC(O)C1=CC=CC=C1 Z822382694 [0,2,0,0,0,0|1,0,1]=4 1543 B13R1.713 C#CC(OC(=O)N)C1=CC=CC=C1 Z1198155485 [0,2,0,0,0,0|2,0,0]=4 1544 B13R1.713 C=CC(CC(=O)O)C1=CC=CC=C1 Z1262511239 [0,2,0,0,0,0|0,0,0]=2 1545 B13R1.713 CC(=O)NC(CO)C1=CC=CC=C1 Z1097082934 [0,2,0,0,0,0|2,0,0]=4 1546 B13R1.713 CC(O)CC(CN)C1=CC=CC=C1 Z1410955907 [0,2,0,0,0,0|1,0,1]=4 1547 B13R1.713 CC/C(=C\C(=O)O)/C1=CC=CC=C1 Z352748324 [0,2,0,0,0,0|0,0,2]=4 1548 B13R1.713 CCC(CC(=O)O)C1=CC=CC=C1 Z352782018 [0,2,0,0,0,0|0,0,0]=2 1549 B13R1.713 CCN(CC(=O)O)C1=CC=CC=C1 Z763029850 [0,2,0,0,0,0|1,0,0]=3 1550 B13R1.713 CNC(CC(=O)N)C1=CC=CC=C1 Z1973465546 [0,2,0,0,0,0|1,0,0]=3 1551 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 Z1255487817 [0,2,0,0,0,0|0,0,0]=2 1552 B13R1.713 NCC(CC(=O)O)C1=CC=NC=C1 Z2901973961 [0,2,0,0,0,0|1,0,0]=3 1553 B13R1.90 CCC1=C(C=CC=C1)OCC(=O)O Z56827322 [0,2,0,0,0,0|1,0,0]=3 1554 B13R1.90 COC1=C(C=CC=C1)/C=C/C(=O)O Z2311574127 [0,2,0,0,0,0|0,0,2]=4 1555 B13R1.90 COC1=C(C=CC=C1)CCC(=O)O Z56943761 [0,2,0,0,0,0|0,0,0]=2 1556 B13R1.90 COC1=C(C=CC=C1)CNC(=O)C Z26710263 [0,2,0,0,0,0|2,0,0]=4 1557 B13R1.90 COC1=C(C=CC=C1)CNC(=O)N Z198194824 [0,2,0,0,0,0|2,0,0]=4 1558 B13R1.90 COC1=C(C=CC=C1)NCC(=O)O Z274534682 [0,2,0,0,0,0|1,0,0]=3 1559 B13R1.90 COC1=C(C=CC=C1)OCC(=O)C Z19753986 [0,2,0,0,0,0|2,0,0]=4 1560 B13R1.90 COC1=C(C=CC=C1)OCC(=O)O Z56867227 [0,2,0,0,0,0|1,0,0]=3 1561 B13R1.90 COC1=C(C=CC=C1)SCC(=O)O Z802638514 [0,2,0,0,0,0|1,0,0]=3 1562 B13R1.90 N#CC1=C(C=CC=C1)/C=C/C(=O)O Z57073693 [0,2,0,0,0,0|0,0,2]=4 1563 B13R1.90 N#CC1=C(C=CC=C1)CCC(=O)O Z227834792 [0,2,0,0,0,0|0,0,0]=2 1564 B13R1.90 N#CC1=C(C=CC=C1)OCC(=O)O Z56824601 [0,2,0,0,0,0|1,0,0]=3 1565 B13R1.90 N#CC1=C(C=CC=C1)SCC(=O)O Z335292558 [0,2,0,0,0,0|1,0,0]=3 1566 B13R1.90 N#CC1=C(N=CC=C1)NCC(=O)O Z94802817 [0,2,0,0,0,0|2,0,0]=4 1567 B13R1.90 NC(=O)COC1=C(C=CC=C1)C=O Z19659059 [0,2,0,0,0,0|2,0,0]=4 1568 B13R1.90 NCC1=C(C=CC=C1)CCC(=O)O Z3282061068 [0,2,0,0,0,0|0,0,0]=2 1569 B13R1.90 O=CC1=C(C=CC=C1)OCC(=O)O Z57313877 [0,2,0,0,0,0|1,0,0]=3 1570 B13R1.150 CC1=C(C(=CC=C1)CNC(=O)N)Br Z1817045294 [0,2,0,0,0,0|2,0,0]=4 1571 B13R1.150 CC1=C(C(=CC=C1)OCC(=O)N)C Z24763255 [0,2,0,0,0,0|2,0,0]=4 1572 B13R1.150 CC1=C(C(=CC=C1)OCC(=O)O)C Z56911972 [0,2,0,0,0,0|1,0,0]=3 1573 B13R1.150 CC1=C(C=CC=C1Br)CCC(=O)O Z1269241873 [0,2,0,0,0,0|0,0,0]=2 1574 B13R1.150 CC1=C(C=CC=C1Cl)NCC(=O)N Z104698544 [0,2,0,0,0,0|2,0,0]=4 1575 B13R1.150 CC1=C(C=CC=C1Cl)OCC(=O)O Z1209414269 [0,2,0,0,0,0|1,0,0]=3 1576 B13R1.150 NC(=O)CCN1C=CC=C(C1=S)Br Z1232932286 [0,2,0,0,0,0|2,0,0]=4 1577 B13R1.150 NC(=O)COC1=C(C(=CC=C1)Cl)Cl Z18533326 [0,2,0,0,0,0|2,0,0]=4 1578 B13R1.150 O=C(O)/C=C/C1=C(C(=CC=C1)Cl)Cl Z56955953 [0,2,0,0,0,0|0,0,2]=4 1579 B13R1.150 O=C(O)/C=C/C1=C(C(=CC=C1)F)Cl Z1269160592 [0,2,0,0,0,0|0,0,2]=4 1580 B13R1.150 O=C(O)/C=C/C1=C(C(=CC=C1)O)O Z1198161241 [0,2,0,0,0,0|0,0,2]=4 1581 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)Br)Cl Z1269176762 [0,2,0,0,0,0|0,0,0]=2 1582 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)Br)F Z1269150982 [0,2,0,0,0,0|0,0,0]=2 1583 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)Cl)Br Z1269140493 [0,2,0,0,0,0|0,0,0]=2 1584 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)Cl)Cl Z317038008 [0,2,0,0,0,0|0,0,0]=2 1585 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)F)Br Z1269177313 [0,2,0,0,0,0|0,0,0]=2 1586 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)F)F Z445167886 [0,2,0,0,0,0|0,0,0]=2 1587 B13R1.150 O=C(O)CCN1C=CNC(=O)C1=O Z1020694368 [0,2,0,0,0,0|2,0,0]=4 1588 B13R1.150 O=C(O)COC1=C(C(=CC=C1)Br)Cl Z3464018015 [0,2,0,0,0,0|1,0,0]=3 1589 B13R1.150 O=C(O)COC1=C(C(=CC=C1)Cl)Cl Z65586632 [0,2,0,0,0,0|1,0,0]=3 1590 B13R1.157 CC(C)(O)CCC1=C(C=CC=C1)O Z736756680 [0,2,0,0,0,0|1,0,1]=4 1591 B13R1.157 NS(=O)(=O)CCC1=C(C=CC=C1)Br Z2106010033 [0,2,0,0,0,0|1,0,1]=4 1592 B13R1.157 NS(=O)(=O)CCC1=C(C=CC=C1)F Z1622956560 [0,2,0,0,0,0|1,0,1]=4 1593 B13R1.893 CC1=C(C=C(C=C1)Cl)NCC(=O)N Z105004294 [0,2,0,0,0,0|2,0,0]=4 1594 B13R1.893 CC1=C(C=C(C=C1)Cl)OCC(=O)O Z274764854 [0,2,0,0,0,0|1,0,0]=3 1595 B13R1.893 CC1=C(C=C(C=C1)F)NCC(=O)N Z104831288 [0,2,0,0,0,0|2,0,0]=4 1596 B13R1.893 CC1=CC(=C(C=C1)C)NCC(=O)N Z104549838 [0,2,0,0,0,0|2,0,0]=4 1597 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)N Z18468017 [0,2,0,0,0,0|2,0,0]=4 1598 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)O Z56820968 [0,2,0,0,0,0|1,0,0]=3 1599 B13R1.893 CC1=CC(=C(C=C1)C)SCC(=O)O Z55903768 [0,2,0,0,0,0|1,0,0]=3 1600 B13R1.893 CC1=CC(=C(C=C1)Cl)OCC(=O)N Z16115067 [0,2,0,0,0,0|2,0,0]=4 1601 B13R1.893 CC1=CC(=C(C=C1)Cl)OCC(=O)O Z56899213 [0,2,0,0,0,0|1,0,0]=3 1602 B13R1.893 CC1=CC(=C(C=C1)F)OCC(=O)O Z1250417296 [0,2,0,0,0,0|1,0,0]=3 1603 B13R1.893 NC(=O)COC1=C(C=CC(=C1)Cl)Cl Z14775230 [0,2,0,0,0,0|2,0,0]=4 1604 B13R1.893 NC(=O)CSC1=C(C=CC(=C1)Cl)Cl Z25212437 [0,2,0,0,0,0|2,0,0]=4 1605 B13R1.893 O=C(O)/C=C/C1=C(C=CC(=C1)Br)F Z56955960 [0,2,0,0,0,0|0,0,2]=4 1606 B13R1.893 O=C(O)/C=C/C1=C(C=CC(=C1)Cl)Br Z1269118852 [0,2,0,0,0,0|0,0,2]=4 1607 B13R1.893 O=C(O)/C=C/C1=C(C=CC(=C1)Cl)Cl Z2895090861 [0,2,0,0,0,0|0,0,2]=4 1608 B13R1.893 O=C(O)/C=C/C1=C(C=CC(=C1)F)F Z2942852737 [0,2,0,0,0,0|0,0,2]=4 1609 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)Br)F Z426022294 [0,2,0,0,0,0|0,0,0]=2 1610 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)Cl)Br Z1269137463 [0,2,0,0,0,0|0,0,0]=2 1611 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)F)Br Z426022162 [0,2,0,0,0,0|0,0,0]=2 1612 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)F)F Z415635744 [0,2,0,0,0,0|0,0,0]=2 1613 B13R1.893 O=C(O)CCN1C=C(C=CC1=O)Br Z285172050 [0,2,0,0,0,0|1,0,0]=3 1614 B13R1.893 O=C(O)CCN1NC(=O)C=CC1=O Z57052849 [0,2,0,0,0,0|2,0,0]=4 1615 B13R1.893 O=C(O)COC1=C(C=CC(=C1)Cl)Cl Z57455032 [0,2,0,0,0,0|1,0,0]=3 1616 B13R1.893 O=C(O)COC1=C(C=CC(=C1)Cl)O Z56788158 [0,2,0,0,0,0|1,0,0]=3 1617 B13R1.893 O=C(O)COC1=C(C=CC(=C1)F)F Z1117890486 [0,2,0,0,0,0|1,0,0]=3 1618 B13R1.893 O=C(O)CSC1=C(C=CC(=C1)Cl)Cl Z55903787 [0,2,0,0,0,0|1,0,0]=3 1619 B13R1.893 O=C(O)CSC1=C(C=CC(=C1)F)F Z92608891 [0,2,0,0,0,0|1,0,0]=3 1620 B13R1.3787 CC(=O)NCC1=C(C=CC=C1Cl)Cl Z345556840 [0,2,0,0,0,0|2,0,0]=4 1621 B13R1.3787 CC1=C(C(=CC=C1)Br)OCC(=O)O Z3753116757 [0,2,0,0,0,0|1,0,0]=3 1622 B13R1.3787 CC1=C(C(=CC=C1)Cl)OCC(=O)O Z1209414278 [0,2,0,0,0,0|1,0,0]=3 1623 B13R1.3787 CC1=C(C(=O)C=CO1)OCC(=O)O Z2900187978 [0,2,0,0,0,0|2,0,0]=4 1624 B13R1.3787 CC1=C(C(=O)NC=N1)CCC(=O)O Z356290466 [0,2,0,0,0,0|2,0,0]=4 1625 B13R1.3787 CC1=CC=CC(=C1NCC(=O)O)C Z1262398548 [0,2,0,0,0,0|1,0,0]=3 1626 B13R1.3787 CC1=CC=CC(=C1OCC(=O)O)C Z56924437 [0,2,0,0,0,0|1,0,0]=3 1627 B13R1.3787 NC(=O)COC1=C(C=CC=C1Br)Br Z852768298 [0,2,0,0,0,0|2,0,0]=4 1628 B13R1.3787 NC(=O)COC1=C(C=CC=C1Cl)Cl Z25063208 [0,2,0,0,0,0|2,0,0]=4 1629 B13R1.3787 O=C(O)/C=C/C1=C(C=CC=C1Cl)Cl Z2942852261 [0,2,0,0,0,0|0,0,2]=4 1630 B13R1.3787 O=C(O)/C=C/C1=C(C=CC=C1F)F Z2942853224 [0,2,0,0,0,0|0,0,2]=4 1631 B13R1.3787 O=C(O)CCC1=C(C=CC=C1Cl)Cl Z317038036 [0,2,0,0,0,0|0,0,0]=2 1632 B13R1.3787 O=C(O)CCC1=C(C=CC=C1F)Cl Z317038042 [0,2,0,0,0,0|0,0,0]=2 1633 B13R1.3787 O=C(O)CCC1=C(C=CC=C1F)F Z317037972 [0,2,0,0,0,0|0,0,0]=2 1634 B13R1.3787 O=C(O)CCC1=C(C=NC=C1Br)Br Z1269232111 [0,2,0,0,0,0|1,0,0]=3 1635 B13R1.3787 O=C(O)CCC1=C(C=NC=C1Cl)Cl Z1269178763 [0,2,0,0,0,0|1,0,0]=3 1636 B13R1.3787 O=C(O)COC1=C(C=CC=C1Cl)Cl Z56928539 [0,2,0,0,0,0|1,0,0]=3 1637 B13R1.3787 O=C(O)CSC1=C(C=CC=C1Cl)Cl Z56960314 [0,2,0,0,0,0|1,0,0]=3 1638 B13R1.643 CC(=O)NCC1=CC(=CC=C1)CN Z1262398496 [0,2,0,0,0,0|2,0,0]=4 1639 B13R1.643 CCC1=CC(=CC=C1)OCC(=O)O Z56910356 [0,2,0,0,0,0|1,0,0]=3 1640 B13R1.643 CNC1=CC(=CC=C1)CCC(=O)O Z1623872023 [0,2,0,0,0,0|0,0,0]=2 1641 B13R1.643 COC1=CC(=CC=C1)/C=C/C(=O)O Z104494816 [0,2,0,0,0,0|0,0,2]=4 1642 B13R1.643 COC1=CC(=CC=C1)CCC(=O)O Z169916350 [0,2,0,0,0,0|0,0,0]=2 1643 B13R1.643 COC1=CC(=CC=C1)CNC(=O)N Z198194944 [0,2,0,0,0,0|2,0,0]=4 1644 B13R1.643 COC1=CC(=CC=C1)NCC(=O)N Z104592028 [0,2,0,0,0,0|2,0,0]=4 1645 B13R1.643 COC1=CC(=CC=C1)NCC(=O)O Z274534684 [0,2,0,0,0,0|1,0,0]=3 1646 B13R1.643 COC1=CC(=CC=C1)OCC(=O)O Z56782975 [0,2,0,0,0,0|1,0,0]=3 1647 B13R1.643 COC1=CC(=CC=C1)SCC(=O)N Z290601360 [0,2,0,0,0,0|2,0,0]=4 1648 B13R1.643 COC1=CC(=CC=C1)SCC(=O)O Z239812082 [0,2,0,0,0,0|1,0,0]=3 1649 B13R1.643 COC1=CC(=CN=C1)CCC(=O)O Z1255460812 [0,2,0,0,0,0|1,0,0]=3 1650 B13R1.643 COC1=NC(=CC=C1)CCC(=O)O Z3379430802 [0,2,0,0,0,0|1,0,0]=3 1651 B13R1.643 N#CC1=CC=CC(=C1)/C=C/C(=O)O Z2942852030 [0,2,0,0,0,0|0,0,2]=4 1652 B13R1.643 N#CC1=CC=CC(=C1)NCC(=O)O Z359506264 [0,2,0,0,0,0|1,0,0]=3 1653 B13R1.643 N#CC1=CC=CC(=C1)OCC(=O)N Z18083670 [0,2,0,0,0,0|2,0,0]=4 1654 B13R1.643 N#CC1=CC=CC(=C1)OCC(=O)O Z149252494 [0,2,0,0,0,0|1,0,0]=3 1655 B13R1.643 NC(=O)COC1=CC(=CC=C1)CO Z57462495 [0,2,0,0,0,0|2,0,0]=4 1656 B13R1.643 NCC1=CC(=CC=C1)OCC(=O)N Z239127266 [0,2,0,0,0,0|2,0,0]=4 1657 B13R1.643 NCC1=CC(=CC=C1)OCC(=O)O Z1820007596 [0,2,0,0,0,0|1,0,0]=3 1658 B13R1.643 O=C(O)/C=C/C1=CC=CC(=C1)CO Z2942853466 [0,2,0,0,0,0|0,0,2]=4 1659 B13R1.643 O=CC1=CC=CC(=C1)/C=C/C(=O)O Z1198181571 [0,2,0,0,0,0|0,0,2]=4 1660 B13R1.643 O=CC1=CC=CC(=C1)CCC(=O)O Z1198176540 [0,2,0,0,0,0|0,0,0]=2 1661 B13R1.643 O=CC1=CC=CC(=C1)OCC(=O)O Z336079446 [0,2,0,0,0,0|1,0,0]=3 1662 B13R1.838 CC1=CC(=CC=C1)CCS(=O)(=O)N Z1622956963 [0,2,0,0,0,0|1,0,1]=4 1663 B13R1.838 NS(=O)(=O)CCC1=CC(=CC=C1)Cl Z1622956480 [0,2,0,0,0,0|1,0,1]=4 1664 B13R1.838 NS(=O)(=O)CCC1=CC(=CC=C1)F Z1622956736 [0,2,0,0,0,0|1,0,1]=4 1665 B13R1.3420 CC1=CC(=CC(=C1)/C=C/C(=O)O)C Z2942853499 [0,2,0,0,0,0|0,0,2]=4 1666 B13R1.3420 CC1=CC(=CC(=C1)CCC(=O)O)C Z733374122 [0,2,0,0,0,0|0,0,0]=2 1667 B13R1.3420 CC1=CC(=CC(=C1)OCC(=O)N)C Z18469845 [0,2,0,0,0,0|2,0,0]=4 1668 B13R1.3420 CC1=CC(=CC(=C1)OCC(=O)O)C Z56869402 [0,2,0,0,0,0|1,0,0]=3 1669 B13R1.3420 CC1=CC(=CC(=N1)C)CCC(=O)O Z3325619569 [0,2,0,0,0,0|1,0,0]=3 1670 B13R1.3420 NC(=O)COC1=CC(=CC(=C1)Cl)Cl Z17834203 [0,2,0,0,0,0|2,0,0]=4 1671 B13R1.3420 NC(=O)NCC1=CC(=CC(=C1)F)Br Z736964818 [0,2,0,0,0,0|2,0,0]=4 1672 B13R1.3420 O=C(O)/C=C/C1=CC(=CC(=C1)Cl)Cl Z2895090860 [0,2,0,0,0,0|0,0,2]=4 1673 B13R1.3420 O=C(O)CCC1=CC(=CC(=C1)Cl)Cl Z452430960 [0,2,0,0,0,0|0,0,0]=2 1674 B13R1.3420 O=C(O)CCC1=CC(=CC(=C1)F)Br Z1269243583 [0,2,0,0,0,0|0,0,0]=2 1675 B13R1.3420 O=C(O)COC1=CC(=CC(=C1)Cl)Cl Z441805200 [0,2,0,0,0,0|1,0,0]=3 1676 B13R1.3420 O=C(O)COC1=CC(=CC(=C1)F)F Z1013753102 [0,2,0,0,0,0|1,0,0]=3 1677 B11R1.57 O=CC1=CC=CN1CC(=O)O Z2681261982 [0,0,1,1,0,0|2,0,0]=4 1678 B11R1.172 O=C(O)CCCC1=CC=CS1 Z56951195 [0,0,1,1,0,0|1,0,1]=4 1679 B11R1.172 O=C(O)CCCN1C=CC=C1 Z245326710 [0,0,1,1,0,0|1,0,1]=4 1680 B11R2.1 NC1CCC2=C1C=CC=C2 Z168884748 [1,0,0,1,0,0|1,0,1]=4 1681 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 Z1741972748 [1,0,0,1,0,0|1,0,1]=4 1682 B11R2.1 O=C1CCC2=C1C=CC=C2 Z104495974 [1,0,0,1,0,0|0,0,0]=2 1683 B11R2.1 O=C1CCC2=C1C=NC=C2 Z1198181243 [1,0,0,1,0,0|1,0,0]=3 1684 B11R2.1 O=C1COC2=C1C=CC=C2 Z57101103 [1,0,0,1,0,0|1,0,0]=3 1685 B11R2.1 O=C1COC2=C1C=CN=C2 Z1255373514 [1,0,0,1,0,0|2,0,0]=4 1686 B11R2.1 O=C1CSC2=C1C=CC=C2 Z1117911699 [1,0,0,1,0,0|1,0,0]=3 1687 B11R2.1 O=C1NCC2=C1C=CC=C2 Z362519344 [1,0,0,1,0,0|1,0,0]=3 1688 B11R2.1 O=C1NCC2=C1C=CC=N2 Z1203733001 [1,0,0,1,0,0|2,0,0]=4 1689 B11R2.1 O=C1NCC2=C1C=CN=C2 Z1255451661 [1,0,0,1,0,0|2,0,0]=4 1690 B11R2.1 O=C1NCC2=C1C=NC=C2 Z2758801175 [1,0,0,1,0,0|2,0,0]=4 1691 B11R2.1 O=C1NCC2=C1N=CC=C2 Z1255449267 [1,0,0,1,0,0|2,0,0]=4 1692 B11R2.1 O=C1NNC2=C1C=CC=C2 Z586248764 [1,0,0,1,0,0|2,0,0]=4 1693 B11R2.1 O=C1NOC2=C1C=CC=C2 Z1592042113 [1,0,0,1,0,0|2,0,0]=4 1694 B11R2.1 O=C1NSC2=C1C=CC=C2 Z56983154 [1,0,0,1,0,0|2,0,0]=4 1695 B11R2.1 O=C1OCC2=C1C=CC=C2 Z211309000 [1,0,0,1,0,0|1,0,0]=3 1696 B11R2.1 O=C1OCC2=C1N=CC=C2 Z1255428832 [1,0,0,1,0,0|2,0,0]=4 1697 B11R2.1 O=C1SNC2=C1C=CC=C2 Z992282928 [1,0,0,1,0,0|2,0,0]=4 1698 B11R2.1 OB1OCC2=C1C=CC=C2 Z1255356609 [1,0,0,1,0,0|2,0,0]=4 1699 B11R2.1 OC1COC2=C1C=CC=C2 Z1267884639 [1,0,0,1,0,0|1,0,1]=4 1700 B11R2.1 O[C@@H]1CSC2=C1C=CC=C2 Z1438326029 [1,0,0,1,0,0|1,0,1]=4 1701 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 Z2309888982 [1,0,0,1,0,0|1,0,1]=4 1702 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 Z2296167800 [1,0,0,1,0,0|1,0,1]=4 1703 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 Z2517097696 [1,0,0,1,0,0|1,0,1]=4 1704 B11R2.20 C1=CC2=C(C=C1)CCC=C2 Z237493310 [1,0,0,1,0,0|1,0,0]=3 1705 B11R2.20 C1=CC2=C(C=C1)CNCC2 Z57834231 [1,0,0,1,0,0|2,0,0]=4 1706 B11R2.20 C1=CC2=C(C=C1)COCC2 Z756090080 [1,0,0,1,0,0|2,0,0]=4 1707 B11R2.20 C1=CC2=C(C=C1)OCCC2 Z728136016 [1,0,0,1,0,0|0,0,1]=3 1708 B11R2.20 C1=CC2=C(C=C1)OCCN2 Z228584850 [1,0,0,1,0,0|1,0,1]=4 1709 B11R2.238 C1=CC=C(C=C1)CC2CO2 Z1020680006 [1,0,0,1,0,0|0,0,1]=3 1710 B11R2.238 C1=CC=C(C=C1)C[C@@H]2CO2 Z1617991494 [1,0,0,1,0,0|0,0,1]=3 1711 B11R2.238 C1=CC=C(C=C1)C[C@H]2CO2 Z2216712384 [1,0,0,1,0,0|0,0,1]=3 1712 B11R2.239 C1=CC=C(C=C1)C2CCN2 Z359510120 [1,0,0,1,0,0|1,0,1]=4 1713 B11R2.988 NCC1CC2=C1C=CC=C2 Z234895091 [1,0,0,1,0,0|1,0,1]=4 1714 B11R2.10 BrC1=NC2=C(O1)C=CC=C2 Z733303132 [0,0,0,1,1,0|2,0,0]=4 1715 B11R2.10 CC1=CC2=C(O1)C=CC=C2 Z1255386706 [0,0,0,1,1,0|1,0,1]=4 1716 B11R2.10 CC1CC2=C(O1)C=CC=C2 Z104378304 [0,0,0,1,1,0|1,0,1]=4 1717 B11R2.10 ClC1=NC2=C(O1)C=CC=C2 Z235343929 [0,0,0,1,1,0|2,0,0]=4 1718 B11R2.10 NC1=NC2=C(C1)C=CC=C2 Z2692198892 [0,0,0,1,1,0|2,0,0]=4 1719 B11R2.10 NC1=NC2=C(O1)C=CC=C2 Z57069972 [0,0,0,1,1,0|2,0,0]=4 1720 B11R2.10 O=C1CC2=C(C1)C=CC=C2 Z104486120 [0,0,0,1,1,0|1,0,0]=3 1721 B11R2.10 O=C1CC2=C(N1)C=CC=C2 Z104478112 [0,0,0,1,1,0|1,0,0]=3 1722 B11R2.10 O=C1CC2=C(N1)C=CC=N2 Z1198159859 [0,0,0,1,1,0|2,0,0]=4 1723 B11R2.10 O=C1NC2=C(N1)C=CC=C2 Z56924489 [0,0,0,1,1,0|2,0,0]=4 1724 B11R2.10 O=C1NC2=C(O1)C=CC=C2 Z56854468 [0,0,0,1,1,0|1,0,0]=3 1725 B11R2.10 O=C1NC2=C(O1)C=CN=C2 Z1509173044 [0,0,0,1,1,0|2,0,0]=4 1726 B11R2.10 O=C1NC2=C(S1)C=CC=C2 Z57728688 [0,0,0,1,1,0|1,1,0]=4 1727 B11R2.10 SC1=NC2=C(O1)C=CC=C2 Z104499134 [0,0,0,1,1,0|1,1,0]=4 1728 B13R2.10 NC1=NC(CO1)C2=CC=CC=C2 Z1262629910 [0,0,0,1,0,1|2,0,0]=4 1729 B13R2.10 NC1=NCC(N1)C2=CC=CC=C2 Z4461628926 [0,0,0,1,0,1|2,0,0]=4 1730 B13R2.10 NC1=NN(CC1)C2=CC=CC=C2 Z57473788 [0,0,0,1,0,1|2,0,0]=4 1731 B13R2.10 O=C1C=C(CC1)C2=CC=CC=C2 Z1255492482 [0,0,0,1,0,1|1,0,0]=3 1732 B13R2.10 O=C1C=C(CO1)C2=CC=CC=C2 Z1862024981 [0,0,0,1,0,1|1,0,1]=4 1733 B13R2.10 O=C1CC(CN1)C2=CC=CC=C2 Z954601980 [0,0,0,1,0,1|1,0,0]=3 1734 B13R2.10 O=C1CC(CN1)C2=CC=NC=C2 Z1251360630 [0,0,0,1,0,1|2,0,0]=4 1735 B13R2.10 O=C1CC(CN1)C2=CN=CC=C2 Z1201628825 [0,0,0,1,0,1|2,0,0]=4 1736 B13R2.10 O=C1CC(CO1)C2=CC=CC=C2 Z1551943626 [0,0,0,1,0,1|1,0,0]=3 1737 B13R2.10 O=C1CCN(C1)C2=CC=CC=C2 Z234894137 [0,0,0,1,0,1|1,0,0]=3 1738 B13R2.10 O=C1CCN(N1)C2=CC=CC=C2 Z104472448 [0,0,0,1,0,1|1,0,0]=3 1739 B13R2.10 O=C1NC(CO1)C2=CC=CC=C2 Z57199626 [0,0,0,1,0,1|1,0,0]=3 1740 B13R2.10 O=C1NCC(N1)C2=CC=CC=C2 Z1255433877 [0,0,0,1,0,1|1,0,0]=3 1741 B13R2.10 OC1CCN(C1)C2=CC=CC=C2 Z1198184574 [0,0,0,1,0,1|1,0,1]=4 1742 B13R2.10 OC1CNC(C1)C2=CC=CC=C2 Z2298064173 [0,0,0,1,0,1|1,0,1]=4 1743 B13R2.31 O=C1CC(N1)CC2=CC=CC=C2 Z1198168168 [0,0,0,1,0,1|1,0,0]=3 1744 B13R2.31 OC1CC(C1)CC2=CC=CC=C2 Z1551917814 [0,0,0,1,0,1|1,0,1]=4 1745 B13R2.31 O[C@H]1C[C@H](C1)SC2=CC=CC=C2 Z2690875271 [0,0,0,1,0,1|1,0,1]=4 1746 B13R2.72 CC(=O)N1CCC2=C1C=CC=C2 Z30624388 [0,0,0,1,0,1|1,0,0]=3 1747 B13R2.72 NC(=O)C1CCC2=C1C=CC=C2 Z1127744301 [0,0,0,1,0,1|1,0,0]=3 1748 B13R2.72 NC(=O)C1CNC2=C1C=CC=C2 Z1117856057 [0,0,0,1,0,1|1,0,0]=3 1749 B13R2.72 NC(=O)N1CCC2=C1C=CC=C2 Z198194398 [0,0,0,1,0,1|1,0,0]=3 1750 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 Z1201621664 [0,0,0,1,0,1|1,0,1]=4 1751 B13R2.72 O=C(O)C1=C2C=CC=CC2=NS1 Z1198233085 [0,0,0,1,0,1|1,0,1]=4 1752 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 Z89283908 [0,0,0,1,0,1|0,0,2]=4 1753 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 Z897816312 [0,0,0,1,0,1|0,0,2]=4 1754 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 Z199507040 [0,0,0,1,0,1|0,0,2]=4 1755 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 Z104497388 [0,0,0,1,0,1|1,0,1]=4 1756 B13R2.72 O=C(O)C1=NSC2=C1C=CC=C2 Z1198157386 [0,0,0,1,0,1|1,0,1]=4 1757 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 Z792377300 [0,0,0,1,0,1|0,0,0]=2 1758 B13R2.72 O=C(O)C1COC2=C1C=CC=C2 Z897815480 [0,0,0,1,0,1|0,0,0]=2 1759 B13R2.72 O=C(O)C1CSC2=C1C=CC=C2 Z1222331919 [0,0,0,1,0,1|0,0,0]=2 1760 B13R2.163 CC1CNCC2=C(O1)C=CC=C2 Z2197092164 [0,0,0,1,0,1|1,0,1]=4 1761 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 Z1255446913 [0,0,0,1,0,1|1,0,0]=3 1762 B13R2.163 O=C1CCCC2=C(N1)C=CC=C2 Z362764922 [0,0,0,1,0,1|1,0,0]=3 1763 B13R2.163 O=C1CCCC2=C(N1)C=CC=N2 Z1216823228 [0,0,0,1,0,1|2,0,0]=4 1764 B13R2.163 O=C1CCNC2=C(N1)C=CC=C2 Z57069349 [0,0,0,1,0,1|1,0,0]=3 1765 B13R2.163 O=C1CCNC2=C(N1)C=CC=N2 Z1142665805 [0,0,0,1,0,1|2,0,0]=4 1766 B13R2.163 O=C1CCOC2=C(N1)C=CC=C2 Z424764630 [0,0,0,1,0,1|1,0,0]=3 1767 B13R2.163 O=C1CCSC2=C(N1)C=CC=C2 Z99598958 [0,0,0,1,0,1|1,0,0]=3 1768 B13R2.163 O=C1CSCC2=C(N1)C=CC=C2 Z1198161340 [0,0,0,1,0,1|1,0,0]=3 1769 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 Z1198162290 [0,0,0,1,0,1|0,0,0]=2 1770 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 Z2235584851 [0,0,0,1,0,1|0,0,0]=2 1771 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=NC=C2 Z2379204261 [0,0,0,1,0,1|1,0,0]=3 1772 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CN=CC=C2 Z2242045438 [0,0,0,1,0,1|1,0,0]=3 1773 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=NC=CC=C2 Z3070727223 [0,0,0,1,0,1|1,0,0]=3 1774 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 Z1235967724 [0,0,0,1,0,1|0,0,0]=2 1775 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 Z1262510970 [0,0,0,1,0,1|0,0,0]=2 1776 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 Z57931417 [0,0,0,1,0,1|0,0,1]=3 1777 B13R2.2382 C1=CC=C(C=C1)COCC2CO2 Z56346889 [0,0,0,1,0,1|1,0,1]=4 1778 B13R2.2382 C1=CC=C(C=C1)COC[C@@H]2CO2 Z1255431172 [0,0,0,1,0,1|1,0,1]=4 1779 B13R2.2382 C1=CC=C(C=C1)COC[C@H]2CO2 Z1171222157 [0,0,0,1,0,1|1,0,1]=4 1780 B13R2.3122 N=S1(=O)CCNC2=C1C=CC=C2 Z2867303866 [0,0,0,1,0,1|2,0,0]=4 1781 B13R2.3122 O=S1(=O)CCNC2=C1C=CC=C2 Z217166120 [0,0,0,1,0,1|1,0,1]=4 1782 B13R2.147 CC1=CC=C(C=C1)C2CC(=O)N2 Z1238837490 [0,1,0,1,0,0|1,0,0]=3 1783 B13R2.147 O=C1CC(C1)C2=CC=C(C=C2)Br Z385459408 [0,1,0,1,0,0|1,0,0]=3 1784 B13R2.147 O=C1CC(C1)C2=CC=C(C=C2)F Z444338412 [0,1,0,1,0,0|1,0,0]=3 1785 B13R2.147 O=C1CC(N1)C2=CC=C(C=C2)Br Z1238837631 [0,1,0,1,0,0|1,0,0]=3 1786 B13R2.147 O=C1CC(N1)C2=CC=C(C=C2)Cl Z1198168152 [0,1,0,1,0,0|1,0,0]=3 1787 B13R2.147 OC1CC(C1)C2=CC=C(C=C2)Br Z501748690 [0,1,0,1,0,0|1,0,1]=4 1788 B13R2.155 CC1=CC2=C(C=C1)CCC(=O)N2 Z1255357756 [0,1,0,1,0,0|1,0,0]=3 1789 B13R2.155 NC1=CC2=C(C=C1)OCC(=O)N2 Z147646768 [0,1,0,1,0,0|2,0,0]=4 1790 B13R2.155 NC1=CC2=C(C=C1)SCC(=O)N2 Z57472207 [0,1,0,1,0,0|2,0,0]=4 1791 B13R2.155 O=C1C=CC2=C(O1)C=C(C=C2)O Z57150899 [0,1,0,1,0,0|0,0,2]=4 1792 B13R2.155 O=C1CC2=C(C=CC(=C2)Br)CN1 Z1813375979 [0,1,0,1,0,0|2,0,0]=4 1793 B13R2.155 O=C1CCC2=C(N1)C=C(C=C2)Br Z1262475341 [0,1,0,1,0,0|1,0,0]=3 1794 B13R2.155 O=C1CCC2=C(N1)C=C(C=C2)Cl Z1198183609 [0,1,0,1,0,0|1,0,0]=3 1795 B13R2.155 O=C1CCC2=C(N1)C=C(C=C2)F Z285201176 [0,1,0,1,0,0|1,0,0]=3 1796 B13R2.155 O=C1CCC2=C(N1)C=C(C=C2)O Z1255450792 [0,1,0,1,0,0|1,0,0]=3 1797 B13R2.155 O=C1CNC2=C(N1)C=C(C=C2)F Z558637624 [0,1,0,1,0,0|2,0,0]=4 1798 B13R2.155 O=C1COC2=C(C1)C=C(C=C2)Br Z1269182618 [0,1,0,1,0,0|2,0,0]=4 1799 B13R2.155 O=C1COC2=C(N1)C=C(C=C2)Br Z227266368 [0,1,0,1,0,0|2,0,0]=4 1800 B13R2.155 O=C1COC2=C(N1)C=C(C=C2)Cl Z57515847 [0,1,0,1,0,0|2,0,0]=4 1801 B13R2.155 O=C1COC2=C(N1)C=C(C=C2)F Z1255450712 [0,1,0,1,0,0|2,0,0]=4 1802 B13R2.155 O=C1COC2=C(N1)C=C(C=C2)O Z1255458499 [0,1,0,1,0,0|2,0,0]=4 1803 B13R2.155 O=C1NCC2=C(O1)C=C(C=C2)Br Z2751295691 [0,1,0,1,0,0|1,0,0]=3 1804 B13R2.155 O=C1NCC2=C(O1)C=C(C=C2)O Z2963142130 [0,1,0,1,0,0|1,0,0]=3 1805 B13R2.155 OC1=CC2=C(C=C1)CCC(C2)O Z1513811314 [0,1,0,1,0,0|1,0,1]=4 1806 B13R2.3791 NC1=CC2=C(C=C1)CCS2(=O)=O Z426040990 [0,1,0,1,0,0|1,0,1]=4 1807 B13R2.4930 CC1=CC2=C(C=C1)CC2C(=O)O Z2719072266 [0,1,0,1,0,0|0,0,0]=2 1808 B13R2.4930 O=C(O)C1CC2=C1C=C(C=C2)Cl Z1262559583 [0,1,0,1,0,0|0,0,0]=2 1809 B13R2.32 CC1CCC2=C(C1=O)C=CC=C2 Z854043700 [0,1,0,1,0,0|1,0,1]=4 1810 B13R2.32 CN1C(=O)CNC2=C1C=CC=C2 Z1021459514 [0,1,0,1,0,0|2,0,0]=4 1811 B13R2.32 NC1C(=O)NCC2=C1C=CC=C2 Z3241255328 [0,1,0,1,0,0|2,0,0]=4 1812 B13R2.32 NC1CCC2=C(C1=O)C=CC=C2 Z1815149197 [0,1,0,1,0,0|1,0,1]=4 1813 B13R2.32 NN1CCC2=C(C1=O)C=CC=C2 Z1255443922 [0,1,0,1,0,0|2,0,0]=4 1814 B13R2.32 N[C@H]1C2=C(C=CC=C2)CC[C@@H]1O Z3070471251 [0,1,0,1,0,0|1,0,1]=4 1815 B13R2.32 N[C@H]1C2=C(C=CC=C2)CC[C@H]1O Z2901813806 [0,1,0,1,0,0|1,0,1]=4 1816 B13R2.32 O=C1C2=C(C=CC=C2)CCC1Cl Z854067262 [0,1,0,1,0,0|1,0,1]=4 1817 B13R2.32 O=C1C2=C(C=CC=C2)OCC1O Z1513597915 [0,1,0,1,0,0|1,0,1]=4 1818 B13R2.33 O=C1C=CC2=C(C=CC=C2)OC1 Z1513599062 [0,1,0,1,0,0|0,0,2]=4 1819 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 Z2235810278 [0,1,0,1,0,0|1,0,0]=3 1820 B13R2.33 O=C1CCC2=C(C=CC=C2)CN1 Z1198153747 [0,1,0,1,0,0|1,0,0]=3 1821 B13R2.57 O=CC1=CC2=C(C=CC=C2)OC1 Z57314867 [0,1,0,1,0,0|2,0,0]=4 1822 B13R2.57 O=CC1=COC2=C(O1)C=CC=C2 Z1198171303 [0,1,0,1,0,0|1,0,1]=4 1823 B13R2.57 O=CC1CCC2=C(C1)C=CC=C2 Z1198168733 [0,1,0,1,0,0|1,0,1]=4 1824 B13R2.57 ONC1=NC2=C(C=CC=C2)CC1 Z1255495184 [0,1,0,1,0,0|1,0,0]=3 1825 B13R2.98 C[C@@]1(C[C@@H]1C2=CC=CC=C2)C=O Z2289709429 [0,1,0,1,0,0|1,0,1]=4 1826 B13R2.98 C[C@]1(C[C@H]1C2=CC=CC=C2)CO Z2467454648 [0,1,0,1,0,0|1,0,1]=4 1827 B13R2.373 C=C1CN(C1=O)C2=CC=CC=C2 Z1861994427 [0,1,0,1,0,0|2,0,0]=4 1828 B13R2.373 CC1C(=O)CC1C2=CC=CC=C2 Z1436543792 [0,1,0,1,0,0|1,0,0]=3 1829 B13R2.373 CC1C(=O)NC1C2=CC=CC=C2 Z1267861070 [0,1,0,1,0,0|1,0,0]=3 1830 B13R2.2531 NC1(CCC2=C1C=CC=C2)CO Z734150984 [0,1,0,1,0,0|1,0,1]=4 1831 B13R2.2531 NCC1(CCC2=C1C=CC=C2)O Z419084888 [0,1,0,1,0,0|1,0,1]=4 1832 B13R2.369 CC1CC2=C(N=CC=C2)NC1=O Z1509214505 [0,1,0,1,0,0|2,0,0]=4 1833 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O Z1201619874 [0,1,0,1,0,0|2,0,0]=4 1834 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O Z164680268 [0,1,0,1,0,0|2,0,0]=4 1835 B13R2.369 CC1SC2=C(C=CC=C2)NC1=O Z1198161114 [0,1,0,1,0,0|2,0,0]=4 1836 B13R2.369 CN1CC2=C(C=CC=C2)NC1=O Z104476152 [0,1,0,1,0,0|2,0,0]=4 1837 B13R2.369 CN1CC2=C(C=CC=C2)OC1=O Z1862014448 [0,1,0,1,0,0|1,0,0]=3 1838 B13R2.369 NC1CC2=C(C=CC=C2)NC1=O Z2692093571 [0,1,0,1,0,0|1,0,0]=3 1839 B13R2.369 NC1CC2=C(C=CN=C2)NC1=O Z2786036033 [0,1,0,1,0,0|2,0,0]=4 1840 B13R2.369 NC1CC2=C(N=CC=C2)NC1=O Z2787257522 [0,1,0,1,0,0|2,0,0]=4 1841 B13R2.369 O=C1NC2=C(C=CC=C2)OC1O Z984801448 [0,1,0,1,0,0|2,0,0]=4 1842 B13R2.435 NC(=O)C1CC2=C(N1)C=CC=C2 Z1255399804 [0,1,0,1,0,0|1,0,0]=3 1843 B13R2.435 NC(=O)C1CC2=C(O1)C=CC=C2 Z116821856 [0,1,0,1,0,0|1,0,0]=3 1844 B13R2.435 NC(=O)N1CC2=C(C1)C=CC=C2 Z963453910 [0,1,0,1,0,0|2,0,0]=4 1845 B13R2.435 NC(=O)[C@@H]1CC2=C(N1)C=CC=C2 Z760046840 [0,1,0,1,0,0|1,0,0]=3 1846 B13R2.435 O=C(O)C1=CC2=C(C1)C=CC=C2 Z1255423596 [0,1,0,1,0,0|0,0,1]=3 1847 B13R2.435 O=C(O)C1=CC2=C(N1)C=CC=C2 Z56347139 [0,1,0,1,0,0|0,0,2]=4 1848 B13R2.435 O=C(O)C1=CC2=C(O1)C=CC=C2 Z56839706 [0,1,0,1,0,0|0,0,2]=4 1849 B13R2.435 O=C(O)C1=CC2=C(S1)C=CC=C2 Z89265777 [0,1,0,1,0,0|0,0,2]=4 1850 B13R2.435 O=C(O)C1=NC2=C(N1)C=CC=C2 Z274592454 [0,1,0,1,0,0|1,0,1]=4 1851 B13R2.435 O=C(O)C1=NC2=C(S1)C=CC=C2 Z56899149 [0,1,0,1,0,0|1,0,1]=4 1852 B13R2.435 O=C(O)C1CC2=C(C1)C=CC=C2 Z607808530 [0,1,0,1,0,0|0,0,0]=2 1853 B13R2.435 O=C(O)C1CC2=C(C1)C=NC=C2 Z2213893333 [0,1,0,1,0,0|1,0,0]=3 1854 B13R2.435 O=C(O)C1CC2=C(C1)N=CC=C2 Z1262528380 [0,1,0,1,0,0|1,0,0]=3 1855 B13R2.435 O=C(O)C1CC2=C(C1)N=CC=N2 Z1416181876 [0,1,0,1,0,0|2,0,0]=4 1856 B13R2.435 O=C(O)C1CC2=C(N1)C=CC=C2 Z343211224 [0,1,0,1,0,0|0,0,0]=2 1857 B13R2.435 O=C(O)C1CC2=C(O1)C=CC=C2 Z104377952 [0,1,0,1,0,0|0,0,0]=2 1858 B13R2.435 O=C(O)C1CC2=C(S1)C=CC=C2 Z221583708 [0,1,0,1,0,0|0,0,0]=2 1859 B13R2.435 O=C(O)[C@@H]1CC2=C(N1)C=CC=C2 Z335079490 [0,1,0,1,0,0|0,0,0]=2 1860 B13R2.238 CC1(CC(=O)C1)C2=CC=CC=C2 Z1123697907 [0,1,0,1,0,0|1,0,0]=3 1861 B13R2.238 N[C@@]1(C[C@@H](C1)O)C2=CC=CC=C2 Z2791095871 [0,1,0,1,0,0|1,0,1]=4 1862 B13R2.328 CC1CC(=O)NC2=C1C=CC=C2 Z1198279631 [0,1,0,1,0,0|1,0,0]=3 1863 B13R2.328 O=C1C=C(C2=C(O1)C=CC=C2)Cl Z1198153642 [0,1,0,1,0,0|0,0,2]=4 1864 B13R2.328 O=C1C=C(C2=C(O1)C=CC=C2)O Z56922074 [0,1,0,1,0,0|0,0,2]=4 1865 B13R2.328 O=C1NC(=O)C2=C(O1)C=CC=C2 Z1255365144 [0,1,0,1,0,0|1,0,1]=4 1866 B13R2.690 OC(CC1CO1)C2=CC=CC=C2 Z1400655261 [0,1,0,1,0,0|1,0,1]=4 1867 B13R2.12159 NC1CS(=O)(=O)C2=C1C=CC=C2 Z1511513951 [0,1,0,1,0,0|1,0,1]=4 1868 B13R2.216 CC1=C(C=CC=C1)C2CC(=O)C2 Z444348616 [0,1,0,1,0,0|1,0,0]=3 1869 B13R2.216 O=C1CC(C1)C2=C(C=CC=C2)Cl Z444350246 [0,1,0,1,0,0|1,0,0]=3 1870 B13R2.216 O=C1CC(C1)C2=C(C=CC=C2)F Z444349348 [0,1,0,1,0,0|1,0,0]=3 1871 B13R2.216 O=C1CC(N1)C2=C(C=CC=C2)Cl Z1198168153 [0,1,0,1,0,0|1,0,0]=3 1872 B13R2.216 O[C@H]1C[C@H](C1)C2=C(C=CC=C2)F Z2111077766 [0,1,0,1,0,0|1,0,1]=4 1873 B13R2.222 CC1(CCC2=C(C1)C=CC=C2)O Z489303234 [0,1,0,1,0,0|1,0,1]=4 1874 B13R2.222 CC1(CCC2=C(O1)C=CC=C2)C Z740530926 [0,1,0,1,0,0|1,0,1]=4 1875 B13R2.222 O=S1(=O)CCC2=C(N1)C=CC=C2 Z1862025194 [0,1,0,1,0,0|1,0,1]=4 1876 B13R2.4848 NC1=C2CCS(=O)(=O)C2=CC=C1 Z1227765671 [0,1,0,1,0,0|1,0,1]=4 1877 B13R2.4852 O=C(O)C1CC2=C(C=CC=C12)Cl Z1262515365 [0,1,0,1,0,0|0,0,0]=2 1878 B13R2.5179 CC1=C2SCC(=O)NC2=CC=C1 Z1255359033 [0,1,0,1,0,0|2,0,0]=4 1879 B13R2.5179 NC1=C2COC(=O)NC2=CC=C1 Z2732485068 [0,1,0,1,0,0|2,0,0]=4 1880 B13R2.5179 NC1=C2OCC(=O)NC2=CC=C1 Z1201625488 [0,1,0,1,0,0|2,0,0]=4 1881 B13R2.5179 O=C1CCC2=C(C=CC=C2N1)Cl Z1251362378 [0,1,0,1,0,0|1,0,0]=3 1882 B13R2.5179 O=C1COC2=C(C=CC=C2N1)Br Z1269155269 [0,1,0,1,0,0|2,0,0]=4 1883 B13R2.5179 O=C1COC2=C(C=CC=C2N1)Cl Z274568256 [0,1,0,1,0,0|2,0,0]=4 1884 B13R2.5179 O=C1COC2=C(C=CC=C2N1)F Z1198233377 [0,1,0,1,0,0|2,0,0]=4 1885 B13R2.5179 O=C1NCC2=C(C=CC=C2O1)O Z1509303010 [0,1,0,1,0,0|1,0,0]=3 1886 B13R2.151 CC1=CC(=CC=C1)C2CC(=O)C2 Z444344078 [0,1,0,1,0,0|1,0,0]=3 1887 B13R2.151 O=C1CC(N1)C2=CC=CC(=C2)Br Z1238837585 [0,1,0,1,0,0|1,0,0]=3 1888 B13R2.151 O=C1CC(N1)C2=CC=CC(=C2)O Z3227055565 [0,1,0,1,0,0|1,0,0]=3 1889 B13R2.162 CC1=C2NC(=O)COC2=CC=C1 Z3236229774 [0,1,0,1,0,0|2,0,0]=4 1890 B13R2.162 NC1=C2NC(=O)COC2=CC=C1 Z1198310512 [0,1,0,1,0,0|2,0,0]=4 1891 B13R2.162 NC1=C2NC(=O)OCC2=CC=C1 Z1262673207 [0,1,0,1,0,0|2,0,0]=4 1892 B13R2.162 O=C1CCC2=CC=CC(=C2C1)Br Z1269110065 [0,1,0,1,0,0|1,0,0]=3 1893 B13R2.162 O=C1CCC2=CC=CC(=C2C1)Cl Z1198163928 [0,1,0,1,0,0|1,0,0]=3 1894 B13R2.162 O=C1CCC2=CC=CC(=C2N1)F Z1198183608 [0,1,0,1,0,0|1,0,0]=3 1895 B13R2.162 O=C1CCC2=CC=CC(=C2N1)O Z1198166008 [0,1,0,1,0,0|1,0,0]=3 1896 B13R2.162 O=C1CNC2=CC=CC(=C2N1)F Z558640102 [0,1,0,1,0,0|2,0,0]=4 1897 B13R2.162 O=C1COC2=CC=CC(=C2N1)Br Z1269141567 [0,1,0,1,0,0|2,0,0]=4 1898 B13R2.162 O=C1COC2=CC=CC(=C2N1)Cl Z1255424669 [0,1,0,1,0,0|2,0,0]=4 1899 B13R2.162 O=C1COC2=CC=CC(=C2N1)F Z1413800305 [0,1,0,1,0,0|2,0,0]=4 1900 B13R2.162 O=C1COC2=CC=CC(=C2N1)O Z1198269939 [0,1,0,1,0,0|2,0,0]=4 1901 B13R2.162 O=C1NCC2=CC=CC(=C2O1)Br Z2751295692 [0,1,0,1,0,0|1,0,0]=3 1902 B13R2.162 O=C1NCC2=CC=CC(=C2O1)O Z2894089869 [0,1,0,1,0,0|1,0,0]=3 1903 B13R2.162 OC1CCC2=C(C1)C(=CC=C2)Br Z1862026178 [0,1,0,1,0,0|1,0,1]=4 1904 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)CC2 Z285150736 [0,1,0,1,0,0|1,0,0]=3 1905 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)CO2 Z285498242 [0,1,0,1,0,0|2,0,0]=4 1906 B13R2.3683 NC1=CC2=C(C=C1)OC(=O)C=C2 Z56754502 [0,1,0,1,0,0|0,0,2]=4 1907 B13R2.3683 O=C1CCC2=C(N1)C=CC(=C2)Br Z299596072 [0,1,0,1,0,0|1,0,0]=3 1908 B13R2.3683 O=C1CCC2=C(N1)C=CC(=C2)Cl Z586255942 [0,1,0,1,0,0|1,0,0]=3 1909 B13R2.3683 O=C1CCC2=C(N1)C=CC(=C2)F Z330795836 [0,1,0,1,0,0|1,0,0]=3 1910 B13R2.3683 O=C1CCC2=C(N1)C=CC(=C2)I Z1269172761 [0,1,0,1,0,0|1,0,0]=3 1911 B13R2.3683 O=C1CCC2=C(N1)C=CC(=C2)O Z234893935 [0,1,0,1,0,0|1,0,0]=3 1912 B13R2.3683 O=C1CCC2=C(N1)N=CC(=C2)Br Z1269140002 [0,1,0,1,0,0|2,0,0]=4 1913 B13R2.3683 O=C1CCC2=C(O1)C=CC(=C2)Br Z1269147954 [0,1,0,1,0,0|0,0,0]=2 1914 B13R2.3683 O=C1CCC2=C(O1)C=CC(=C2)O Z1513805017 [0,1,0,1,0,0|0,0,0]=2 1915 B13R2.3683 O=C1CNC2=C(N1)C=CC(=C2)Br Z1269175847 [0,1,0,1,0,0|2,0,0]=4 1916 B13R2.3683 O=C1CNC2=C(N1)C=CC(=C2)O Z1255398014 [0,1,0,1,0,0|2,0,0]=4 1917 B13R2.3683 O=C1COC2=C(N1)C=CC(=C2)Br Z235338061 [0,1,0,1,0,0|2,0,0]=4 1918 B13R2.3683 O=C1COC2=C(N1)C=CC(=C2)Cl Z1198161300 [0,1,0,1,0,0|2,0,0]=4 1919 B13R2.3683 O=C1COC2=C(N1)C=CC(=C2)F Z1198173830 [0,1,0,1,0,0|2,0,0]=4 1920 B13R2.3683 O=C1CSC2=C(N1)C=CC(=C2)Cl Z56974851 [0,1,0,1,0,0|2,0,0]=4 1921 B13R2.3683 O=C1NC2=C(C=C(C=C2)Br)CO1 Z1269239432 [0,1,0,1,0,0|2,0,0]=4 1922 B13R2.3683 O=C1NCC2=C(N1)C=CC(=C2)Br Z1269196478 [0,1,0,1,0,0|2,0,0]=4 1923 B13R2.3683 O=C1NCC2=C(O1)C=CC(=C2)Br Z1269142316 [0,1,0,1,0,0|1,0,0]=3 1924 B13R2.3683 OC1CCC2=C(C1)C=CC(=C2)Br Z449374978 [0,1,0,1,0,0|1,0,1]=4 1925 B13R2.13023 NC1=C2C(=CC=C1)CCS2(=O)=O Z1227765670 [0,1,0,1,0,0|1,0,1]=4 1926 B13R3.28 C1=CC2=C(C=C1)[C@@H]3O[C@@H]3CC2 Z3177279256 [0,0,0,2,0,0|1,0,1]=4 1927 B9R1.12 O=CCCC1=CON=C1 Z2238235999 [1,0,0,0,1,0|2,0,0]=4 1928 B9R1.12 O=CCCC1=CSC=C1 Z993017658 [1,0,0,0,1,0|1,0,0]=3 1929 B9R1.12 OCCCC1=COC=C1 Z1198265634 [1,0,0,0,1,0|1,0,1]=4 1930 B9R1.12 OCCCC1=CSC=C1 Z993012564 [1,0,0,0,1,0|1,0,1]=4 1931 B9R1.6 CC(=O)C1=CC=CC=C1 Z57127548 [0,0,0,0,2,0|1,0,0]=3 1932 B9R1.6 CC(=O)C1=CN=CC=C1 Z104474436 [0,0,0,0,2,0|2,0,0]=4 1933 B9R1.6 CC(=O)C1=NC=CC=C1 Z104474432 [0,0,0,0,2,0|2,0,0]=4 1934 B9R1.6 CC(O)C1=CC=CC=C1 Z104494956 [0,0,0,0,2,0|1,0,1]=4 1935 B9R1.6 C[C@@H](O)C1=CC=CC=C1 Z360055166 [0,0,0,0,2,0|1,0,1]=4 1936 B9R1.6 C[C@H](O)C1=CC=CC=C1 Z360055168 [0,0,0,0,2,0|1,0,1]=4 1937 B9R1.6 N=C(N)C1=CC=CC=C1 Z166624376 [0,0,0,0,2,0|2,0,0]=4 1938 B9R1.6 NC(=O)C1=CN=CC=C1 Z33546463 [0,0,0,0,2,0|2,0,0]=4 1939 B9R1.6 NC(=O)C1=NC=CC=C1 Z33546380 [0,0,0,0,2,0|2,0,0]=4 1940 B9R1.6 NC(=S)C1=CC=CC=C1 Z57070430 [0,0,0,0,2,0|1,1,0]=4 1941 B9R1.6 O=C(O)C1=CC=CC=C1 Z57127480 [0,0,0,0,2,0|0,0,0]=2 1942 B9R1.6 O=C(O)C1=CC=NC=C1 Z104473016 [0,0,0,0,2,0|1,0,0]=3 1943 B9R1.6 O=C(O)C1=CN=CC=C1 Z56755709 [0,0,0,0,2,0|1,0,0]=3 1944 B9R1.6 O=C(O)C1=CN=CN=C1 Z336079948 [0,0,0,0,2,0|2,0,0]=4 1945 B9R1.6 O=C(O)C1=CN=NC=C1 Z1182328443 [0,0,0,0,2,0|2,0,0]=4 1946 B9R1.6 O=C(O)C1=NC=CC=C1 Z57968195 [0,0,0,0,2,0|1,0,0]=3 1947 B9R1.6 O=C(O)C1=NC=CC=N1 Z1259341107 [0,0,0,0,2,0|2,0,0]=4 1948 B9R1.6 O=C(O)C1=NC=CN=C1 Z104476002 [0,0,0,0,2,0|2,0,0]=4 1949 B9R1.6 O=C(O)C1=NC=NC=C1 Z57064900 [0,0,0,0,2,0|2,0,0]=4 1950 B9R1.6 O=C(O)C1=NN=CC=C1 Z1201621268 [0,0,0,0,2,0|2,0,0]=4 1951 B9R1.6 O=[S-](=O)C1=CC=CC=C1 Z104501326 [0,0,0,0,2,0|1,0,1]=4 1952 B9R1.6 OB(O)C1=CC=CC=C1 Z111782400 [0,0,0,0,2,0|1,0,1]=4 1953 B9R1.13 NC(=O)CC1=CC=CN1 Z1203579730 [0,0,0,0,2,0|2,0,0]=4 1954 B9R1.13 O=C(O)CC1=CC=CO1 Z1179936226 [0,0,0,0,2,0|1,0,0]=3 1955 B9R1.13 O=C(O)CC1=CC=CS1 Z104473344 [0,0,0,0,2,0|1,0,0]=3 1956 B9R1.13 O=C(O)CC1=CC=NO1 Z1205495543 [0,0,0,0,2,0|2,0,0]=4 1957 B9R1.13 O=C(O)CC1=CN=CN1 Z2738358143 [0,0,0,0,2,0|2,0,0]=4 1958 B9R1.13 O=C(O)CC1=CN=CS1 Z1198176810 [0,0,0,0,2,0|2,0,0]=4 1959 B9R1.13 O=C(O)CC1=CNC=C1 Z1154253211 [0,0,0,0,2,0|1,0,0]=3 1960 B9R1.13 O=C(O)CC1=CNN=C1 Z2692248932 [0,0,0,0,2,0|2,0,0]=4 1961 B9R1.13 O=C(O)CC1=COC=C1 Z1179936188 [0,0,0,0,2,0|1,0,0]=3 1962 B9R1.13 O=C(O)CC1=CON=C1 Z600429584 [0,0,0,0,2,0|2,0,0]=4 1963 B9R1.13 O=C(O)CC1=CSC=C1 Z56922167 [0,0,0,0,2,0|1,0,0]=3 1964 B9R1.13 O=C(O)CC1=CSC=N1 Z800222640 [0,0,0,0,2,0|2,0,0]=4 1965 B9R1.13 O=C(O)CC1=NC=CN1 Z2189284070 [0,0,0,0,2,0|2,0,0]=4 1966 B9R1.13 O=C(O)CC1=NOC=C1 Z1198279888 [0,0,0,0,2,0|2,0,0]=4 1967 B9R1.13 O=C(O)CC1=NSC=C1 Z1198313566 [0,0,0,0,2,0|2,0,0]=4 1968 B9R1.13 O=C(O)CN1C=CC=C1 Z245326698 [0,0,0,0,2,0|1,0,0]=3 1969 B9R1.13 O=C(O)CN1C=CC=N1 Z166653130 [0,0,0,0,2,0|2,0,0]=4 1970 B9R1.13 O=C(O)CN1C=CN=C1 Z57396183 [0,0,0,0,2,0|2,0,0]=4 1971 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 Z820117496 [0,0,0,0,0,2|1,0,0]=3 1972 B13R1.337 CC(=O)NCCCC1=CC=CC=C1 Z26437154 [0,0,0,0,0,2|1,0,0]=3 1973 B13R1.337 CC(=O)NCCSC1=CC=CC=C1 Z91147666 [0,0,0,0,0,2|1,0,0]=3 1974 B13R1.337 CC(=O)OC/C=C/C1=CC=CC=C1 Z19628284 [0,0,0,0,0,2|1,0,1]=4 1975 B13R1.337 N=C(N)CCCOC1=CC=CC=C1 Z1702888520 [0,0,0,0,0,2|2,0,0]=4 1976 B13R1.337 N=C(N)SCCOC1=CC=CC=C1 Z48820147 [0,0,0,0,0,2|2,0,0]=4 1977 B13R1.337 NC(=O)CCCOC1=CC=CC=C1 Z33546386 [0,0,0,0,0,2|1,0,0]=3 1978 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 Z53116260 [0,0,0,0,0,2|1,0,0]=3 1979 B13R1.337 NC(=O)CCNCC1=CN=CC=C1 Z1706585640 [0,0,0,0,0,2|2,0,0]=4 1980 B13R1.337 NC(=O)CCSCC1=CC=CC=C1 Z102924572 [0,0,0,0,0,2|1,0,0]=3 1981 B13R1.337 NC(=O)NCCCC1=CC=CC=C1 Z198194892 [0,0,0,0,0,2|1,0,0]=3 1982 B13R1.337 O=C(O)C#CCCC1=CC=CC=C1 Z1235951037 [0,0,0,0,0,2|0,0,0]=2 1983 B13R1.337 O=C(O)C#CCOC1=CC=CC=C1 Z1235950909 [0,0,0,0,0,2|0,0,1]=3 1984 B13R1.337 O=C(O)CC/C=C/C1=CC=CC=C1 Z1222331031 [0,0,0,0,0,2|0,0,0]=2 1985 B13R1.337 O=C(O)CCC#CC1=CC=CC=C1 Z1262510757 [0,0,0,0,0,2|0,0,0]=2 1986 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 Z361415662 [0,0,0,0,0,2|0,0,0]=2 1987 B13R1.337 O=C(O)CCCNC1=CC=CC=C1 Z445129480 [0,0,0,0,0,2|0,0,0]=2 1988 B13R1.337 O=C(O)CCCNC1=NC=CC=N1 Z228589440 [0,0,0,0,0,2|2,0,0]=4 1989 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 Z104496174 [0,0,0,0,0,2|0,0,0]=2 1990 B13R1.337 O=C(O)CCCOC1=CN=CC=C1 Z927645802 [0,0,0,0,0,2|1,0,0]=3 1991 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 Z56862233 [0,0,0,0,0,2|0,0,0]=2 1992 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 Z335451288 [0,0,0,0,0,2|0,0,0]=2 1993 B13R1.337 O=C(O)CCNCC1=CC=NC=C1 Z444311616 [0,0,0,0,0,2|1,0,0]=3 1994 B13R1.337 O=C(O)CCNCC1=CN=CC=C1 Z1272739864 [0,0,0,0,0,2|1,0,0]=3 1995 B13R1.337 O=C(O)CCNCC1=NC=CC=C1 Z444311590 [0,0,0,0,0,2|1,0,0]=3 1996 B13R1.337 O=C(O)CCNCC1=NC=CC=N1 Z995103122 [0,0,0,0,0,2|2,0,0]=4 1997 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 Z316258802 [0,0,0,0,0,2|0,0,0]=2 1998 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 Z54671437 [0,0,0,0,0,2|0,0,0]=2 1999 B13R1.337 O=C(O)CCSCC1=NC=CC=C1 Z295403834 [0,0,0,0,0,2|1,0,0]=3 2000 B13R1.337 O=C(O)CNCCC1=CC=CC=C1 Z1278590824 [0,0,0,0,0,2|0,0,0]=2 2001 B13R1.337 O=C(O)COCCC1=CC=CC=C1 Z362795648 [0,0,0,0,0,2|0,0,0]=2 2002 B13R1.337 O=C(O)CSCCC1=CC=CC=C1 Z228588554 [0,0,0,0,0,2|0,0,0]=2