0 B12R1.125 CC(=O)/C=C/C1=C(C=CC=C1)F Z1217226767 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.125 CC(=O)CCC1=C(C=CC=C1)F Z406376954 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.125 CC(=O)NCC1=C(C=CC=C1)F Z29857733 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.125 CC(=O)NCC1=C(C=CC=C1)N Z3711224127 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.125 CC1=C(C=CC=C1)/C=C/C(=O)O Z2417574586 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.125 CC1=C(C=CC=C1)CCC(=O)O Z317037960 [0,0,0,0,0,0|1,0,2]=3 6 B12R1.125 CC1=C(C=CC=C1)NCC(=O)N Z104590676 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.125 CC1=C(C=CC=C1)OCC(=O)N Z19733874 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.125 CC1=C(C=CC=C1)OCC(=O)O Z56820406 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.125 CC1=C(C=CC=C1)SCC(=O)O Z56870728 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.125 CC1=C(C=CC=N1)/C=C/C(=O)O Z2235790871 [0,0,0,0,0,0|2,0,0]=2 11 B12R1.125 CC1=C(C=CC=N1)CCC(=O)O Z3213741164 [0,0,0,0,0,0|2,0,2]=4 12 B12R1.125 CC1=C(C=CN=C1)/C=C/C(=O)O Z2235790666 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.125 CC1=C(N=CC=C1)/C=C/C(=O)O Z2327040014 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.125 CC1=C(N=CC=C1)CCC(=O)O Z1198279885 [0,0,0,0,0,0|2,0,2]=4 15 B12R1.125 NC(=O)CCC1=C(C=CC=C1)Br Z741559968 [0,0,0,0,0,0|2,0,2]=4 16 B12R1.125 NC(=O)CCC1=C(C=CC=C1)N Z414316848 [0,0,0,0,0,0|2,0,2]=4 17 B12R1.125 NC(=O)CCC1=C(C=CC=C1)O Z371352778 [0,0,0,0,0,0|1,0,2]=3 18 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Br Z137588472 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Cl Z104528166 [0,0,0,0,0,0|3,0,1]=4 20 B12R1.125 NC(=O)CNC1=C(C=CC=C1)I Z133437412 [0,0,0,0,0,0|3,0,1]=4 21 B12R1.125 NC(=O)COC1=C(C=CC=C1)Br Z17829253 [0,0,0,0,0,0|3,0,1]=4 22 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl Z19726626 [0,0,0,0,0,0|3,0,1]=4 23 B12R1.125 NC(=O)COC1=C(C=CC=C1)F Z19724798 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.125 NC(=O)COC1=C(C=CC=C1)I Z406416164 [0,0,0,0,0,0|3,0,1]=4 25 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Br Z149386624 [0,0,0,0,0,0|3,0,1]=4 26 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Cl Z18459622 [0,0,0,0,0,0|3,0,1]=4 27 B12R1.125 NC(=O)CSC1=C(C=CC=C1)N Z57332466 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.125 NC(=O)NCC1=C(C=CC=C1)Cl Z198194806 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.125 NC(=O)NCC1=C(C=CC=C1)F Z198194842 [0,0,0,0,0,0|3,0,1]=4 30 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Br Z2315575361 [0,0,0,0,0,0|1,0,0]=1 31 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl Z57264035 [0,0,0,0,0,0|1,0,0]=1 32 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)F Z2573655240 [0,0,0,0,0,0|1,0,0]=1 33 B12R1.125 O=C(O)/C=C/C1=C(N=CC=C1)Br Z1269170340 [0,0,0,0,0,0|2,0,0]=2 34 B12R1.125 O=C(O)/C=C/C1=C(N=CC=C1)Cl Z1201624228 [0,0,0,0,0,0|2,0,0]=2 35 B12R1.125 O=C(O)/C=C/C1=CN=CNC1=O Z2633967605 [0,0,0,0,0,0|2,0,1]=3 36 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Br Z406704244 [0,0,0,0,0,0|1,0,2]=3 37 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl Z56943366 [0,0,0,0,0,0|1,0,2]=3 38 B12R1.125 O=C(O)CCC1=C(C=CC=C1)F Z57991059 [0,0,0,0,0,0|1,0,2]=3 39 B12R1.125 O=C(O)CCC1=C(C=CC=C1)O Z56347225 [0,0,0,0,0,0|0,0,2]=2 40 B12R1.125 O=C(O)CCN1C=CC=CC1=O Z240085344 [0,0,0,0,0,0|1,0,3]=4 41 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl Z274534698 [0,0,0,0,0,0|2,0,1]=3 42 B12R1.125 O=C(O)COC1=C(C=CC=C1)Br Z111834298 [0,0,0,0,0,0|2,0,1]=3 43 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl Z57042068 [0,0,0,0,0,0|2,0,1]=3 44 B12R1.125 O=C(O)COC1=C(C=CC=C1)F Z56823442 [0,0,0,0,0,0|2,0,1]=3 45 B12R1.125 O=C(O)COC1=C(C=CC=C1)O Z56869464 [0,0,0,0,0,0|1,0,1]=2 46 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Br Z56827233 [0,0,0,0,0,0|2,0,1]=3 47 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Cl Z55903470 [0,0,0,0,0,0|2,0,1]=3 48 B12R1.125 O=C(O)CSC1=C(C=CC=C1)F Z55903942 [0,0,0,0,0,0|2,0,1]=3 49 B12R1.125 O=C(O)CSC1=C(C=CC=C1)O Z905204160 [0,0,0,0,0,0|1,0,1]=2 50 B12R1.125 O=C(O)CSC1=[N+](C=CC=C1)[O-] Z55903473 [0,0,0,0,0,0|2,0,2]=4 51 B11R1.17 O=CCCC1=C(C=CC=C1)F Z993017602 [1,0,0,0,0,0|1,0,2]=4 52 B11R1.17 OCCOC1=C(C=CC=C1)O Z56755902 [1,0,0,0,0,0|1,0,2]=4 53 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 Z2582847786 [1,0,0,0,0,0|1,0,0]=2 54 B11R1.91 CC(=O)/C=C/C1=NC=CC=C1 Z2004564056 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [1,0,0,0,0,0|2,0,1]=4 56 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [1,0,0,0,0,0|2,0,1]=4 57 B11R1.91 CC(=O)NNC1=CC=CC=C1 Z27767717 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [1,0,0,0,0,0|2,0,1]=4 59 B11R1.91 NC(=O)/C=C/C1=CN=CC=C1 Z284112150 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [1,0,0,0,0,0|1,0,2]=4 61 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [1,0,0,0,0,0|2,0,1]=4 62 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [1,0,0,0,0,0|2,0,1]=4 63 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [1,0,0,0,0,0|2,0,1]=4 64 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [1,0,0,0,0,0|2,0,1]=4 65 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [1,0,0,0,0,0|2,0,1]=4 66 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [1,0,0,0,0,0|0,0,0]=1 67 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 Z2315575398 [1,0,0,0,0,0|1,0,0]=2 68 B11R1.91 O=C(O)/C=C/C1=CN=CC=C1 Z2315575379 [1,0,0,0,0,0|1,0,0]=2 69 B11R1.91 O=C(O)/C=C/C1=NC=CC=C1 Z57069085 [1,0,0,0,0,0|1,0,0]=2 70 B11R1.91 O=C(O)/C=C/C1=NC=CN=C1 Z445220894 [1,0,0,0,0,0|2,0,0]=3 71 B11R1.91 O=C(O)/C=C/C1=NC=NC=C1 Z1184882069 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.91 O=C(O)C#CC1=CC=CC=C1 Z271128592 [1,0,0,0,0,0|0,0,2]=3 73 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [1,0,0,0,0,0|0,0,2]=3 74 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [1,0,0,0,0,0|1,0,2]=4 75 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [1,0,0,0,0,0|1,0,2]=4 76 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [1,0,0,0,0,0|1,0,2]=4 77 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [1,0,0,0,0,0|1,0,1]=3 78 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [1,0,0,0,0,0|2,0,1]=4 79 B11R1.91 O=C(O)CNC1=CN=CC=C1 Z3058782338 [1,0,0,0,0,0|2,0,1]=4 80 B11R1.91 O=C(O)CNC1=NC=CC=C1 Z2470036492 [1,0,0,0,0,0|2,0,1]=4 81 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [1,0,0,0,0,0|1,0,1]=3 82 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [1,0,0,0,0,0|2,0,1]=4 83 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [1,0,0,0,0,0|1,0,1]=3 84 B11R1.91 O=C(O)CSC1=CC=NC=C1 Z104479390 [1,0,0,0,0,0|2,0,1]=4 85 B11R1.91 O=C(O)CSC1=NC=CC=C1 Z31205663 [1,0,0,0,0,0|2,0,1]=4 86 B11R1.91 OB(O)/C=C/C1=CC=CC=C1 Z2315575087 [1,0,0,0,0,0|1,0,1]=3 87 B13R1.90 CCC1=C(C=CC=C1)OCC(=O)O Z56827322 [0,1,0,0,0,0|2,0,1]=4 88 B13R1.90 COC1=C(C=CC=C1)/C=C/C(=O)O Z2311574127 [0,1,0,0,0,0|0,0,0]=1 89 B13R1.90 COC1=C(C=CC=C1)CCC(=O)O Z56943761 [0,1,0,0,0,0|0,0,2]=3 90 B13R1.90 COC1=C(C=CC=C1)CNC(=O)C Z26710263 [0,1,0,0,0,0|2,0,1]=4 91 B13R1.90 COC1=C(C=CC=C1)CNC(=O)N Z198194824 [0,1,0,0,0,0|2,0,1]=4 92 B13R1.90 COC1=C(C=CC=C1)NCC(=O)O Z274534682 [0,1,0,0,0,0|1,0,1]=3 93 B13R1.90 COC1=C(C=CC=C1)OCC(=O)C Z19753986 [0,1,0,0,0,0|2,0,1]=4 94 B13R1.90 COC1=C(C=CC=C1)OCC(=O)O Z56867227 [0,1,0,0,0,0|1,0,1]=3 95 B13R1.90 COC1=C(C=CC=C1)SCC(=O)O Z802638514 [0,1,0,0,0,0|1,0,1]=3 96 B13R1.90 N#CC1=C(C=CC=C1)/C=C/C(=O)O Z57073693 [0,1,0,0,0,0|1,0,0]=2 97 B13R1.90 N#CC1=C(C=CC=C1)CCC(=O)O Z227834792 [0,1,0,0,0,0|1,0,2]=4 98 B13R1.90 N#CC1=C(C=CC=C1)OCC(=O)O Z56824601 [0,1,0,0,0,0|2,0,1]=4 99 B13R1.90 N#CC1=C(C=CC=C1)SCC(=O)O Z335292558 [0,1,0,0,0,0|2,0,1]=4 100 B13R1.90 NCC1=C(C=CC=C1)CCC(=O)O Z3282061068 [0,1,0,0,0,0|1,0,2]=4 101 B13R1.90 O=CC1=C(C=CC=C1)OCC(=O)O Z57313877 [0,1,0,0,0,0|1,0,2]=4 102 B13R1.150 CC1=C(C(=CC=C1)OCC(=O)O)C Z56911972 [0,1,0,0,0,0|2,0,1]=4 103 B13R1.150 CC1=C(C=CC=C1Br)CCC(=O)O Z1269241873 [0,1,0,0,0,0|1,0,2]=4 104 B13R1.150 CC1=C(C=CC=C1Cl)OCC(=O)O Z1209414269 [0,1,0,0,0,0|2,0,1]=4 105 B13R1.150 O=C(O)/C=C/C1=C(C(=CC=C1)Cl)Cl Z56955953 [0,1,0,0,0,0|1,0,0]=2 106 B13R1.150 O=C(O)/C=C/C1=C(C(=CC=C1)F)Cl Z1269160592 [0,1,0,0,0,0|1,0,0]=2 107 B13R1.150 O=C(O)/C=C/C1=C(C(=CC=C1)O)O Z1198161241 [0,1,0,0,0,0|0,0,0]=1 108 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)Br)Cl Z1269176762 [0,1,0,0,0,0|1,0,2]=4 109 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)Br)F Z1269150982 [0,1,0,0,0,0|1,0,2]=4 110 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)Cl)Br Z1269140493 [0,1,0,0,0,0|1,0,2]=4 111 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)Cl)Cl Z317038008 [0,1,0,0,0,0|1,0,2]=4 112 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)F)Br Z1269177313 [0,1,0,0,0,0|1,0,2]=4 113 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)F)F Z445167886 [0,1,0,0,0,0|1,0,2]=4 114 B13R1.150 O=C(O)COC1=C(C(=CC=C1)Br)Cl Z3464018015 [0,1,0,0,0,0|2,0,1]=4 115 B13R1.150 O=C(O)COC1=C(C(=CC=C1)Cl)Cl Z65586632 [0,1,0,0,0,0|2,0,1]=4 116 B13R1.157 NS(=O)(=O)/C=C/C1=C(C=CC=C1)Cl Z2312957338 [0,1,0,0,0,0|2,0,1]=4 117 B13R1.164 CC1=C(C=CC(=C1)Br)NCC(=O)O Z359505880 [0,1,0,0,0,0|2,0,1]=4 118 B13R1.164 CC1=C(C=CC(=C1)Br)SCC(=O)O Z56790608 [0,1,0,0,0,0|2,0,1]=4 119 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)O Z56824184 [0,1,0,0,0,0|2,0,1]=4 120 B13R1.164 CC1=C(C=CC(=C1)F)CCC(=O)O Z959351776 [0,1,0,0,0,0|1,0,2]=4 121 B13R1.164 CC1=C(C=CC(=N1)N)/C=C/C(=O)O Z1431903363 [0,1,0,0,0,0|2,0,0]=3 122 B13R1.164 CC1=CC(=C(C=C1)/C=C/C(=O)O)Br Z57033999 [0,1,0,0,0,0|1,0,0]=2 123 B13R1.164 CC1=CC(=C(C=C1)/C=C/C(=O)O)C Z2312274886 [0,1,0,0,0,0|1,0,0]=2 124 B13R1.164 CC1=CC(=C(C=C1)CCC(=O)O)Br Z1269174749 [0,1,0,0,0,0|1,0,2]=4 125 B13R1.164 CC1=CC(=C(C=C1)CCC(=O)O)C Z203050914 [0,1,0,0,0,0|1,0,2]=4 126 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)O)Br Z57203202 [0,1,0,0,0,0|2,0,1]=4 127 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)O)C Z57041994 [0,1,0,0,0,0|2,0,1]=4 128 B13R1.164 CC1=CC(=C(C=C1)SCC(=O)O)C Z55903769 [0,1,0,0,0,0|2,0,1]=4 129 B13R1.164 CC1=NC=C(C(=O)N1)/C=C/C(=O)O Z2750451046 [0,1,0,0,0,0|2,0,1]=4 130 B13R1.164 O=C(O)/C=C/C1=C(N=C(C=C1)Cl)Cl Z2750454499 [0,1,0,0,0,0|2,0,0]=3 131 B13R1.164 O=C(O)/C=C/C1=CNC(=O)NC1=O Z1198156999 [0,1,0,0,0,0|2,0,1]=4 132 B13R1.164 O=C(O)C#CC1=C(C=C(C=C1)F)F Z1143242500 [0,1,0,0,0,0|1,0,2]=4 133 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Br)F Z405046664 [0,1,0,0,0,0|1,0,2]=4 134 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)Br Z1269115792 [0,1,0,0,0,0|1,0,2]=4 135 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)Cl Z314668406 [0,1,0,0,0,0|1,0,2]=4 136 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)F Z1269172595 [0,1,0,0,0,0|1,0,2]=4 137 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)F)Br Z426022210 [0,1,0,0,0,0|1,0,2]=4 138 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)F)Cl Z426022268 [0,1,0,0,0,0|1,0,2]=4 139 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)F)F Z317037934 [0,1,0,0,0,0|1,0,2]=4 140 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Br)Cl Z57050133 [0,1,0,0,0,0|2,0,1]=4 141 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Br)F Z56923270 [0,1,0,0,0,0|2,0,1]=4 142 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)Br Z56924479 [0,1,0,0,0,0|2,0,1]=4 143 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)Cl Z56771026 [0,1,0,0,0,0|2,0,1]=4 144 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)F Z1416161884 [0,1,0,0,0,0|2,0,1]=4 145 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)Br Z56923211 [0,1,0,0,0,0|2,0,1]=4 146 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)Cl Z65572085 [0,1,0,0,0,0|2,0,1]=4 147 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)F Z239874904 [0,1,0,0,0,0|2,0,1]=4 148 B13R1.164 O=C(O)COC1=C(C=C(C=C1)I)Br Z5018658198 [0,1,0,0,0,0|2,0,1]=4 149 B13R1.164 O=C(O)CSC1=C(C=C(C=C1)Cl)Cl Z1269124447 [0,1,0,0,0,0|2,0,1]=4 150 B13R1.164 O=C(O)CSC1=C(C=C(C=C1)F)F Z92456882 [0,1,0,0,0,0|2,0,1]=4 151 B13R1.164 O=[N+]([O-])/C=C/C1=C(C=C(C=C1)F)F Z838174058 [0,1,0,0,0,0|2,0,1]=4 152 B13R1.201 C/C(=C\C(=O)O)/C1=C(C=CC=C1)F Z352747962 [0,1,0,0,0,0|1,0,0]=2 153 B13R1.201 CC(=O)CC(=O)C1=C(C=CC=C1)Cl Z228582702 [0,1,0,0,0,0|2,0,1]=4 154 B13R1.201 CC(CC(=O)O)C1=C(C=CC=C1)Br Z729841796 [0,1,0,0,0,0|1,0,2]=4 155 B13R1.201 CC(CC(=O)O)C1=C(C=CC=C1)F Z352782394 [0,1,0,0,0,0|1,0,2]=4 156 B13R1.201 CC1=C(C=CC=C1)/C(=C/C(=O)O)/C Z352748716 [0,1,0,0,0,0|1,0,0]=2 157 B13R1.201 CC1=C(C=CC=C1)C(C)CC(=O)O Z352782580 [0,1,0,0,0,0|1,0,2]=4 158 B13R1.201 CC1=C(C=CC=C1)C(N)CC(=O)O Z317027322 [0,1,0,0,0,0|1,0,2]=4 159 B13R1.201 CC1=C(C=CC=C1)[C@@H](N)CC(=O)O Z1270399998 [0,1,0,0,0,0|1,0,2]=4 160 B13R1.201 NC(CC(=O)O)C1=C(C=CC=C1)Cl Z56854346 [0,1,0,0,0,0|1,0,2]=4 161 B13R1.201 NC(CC(=O)O)C1=C(C=CC=C1)F Z56782527 [0,1,0,0,0,0|1,0,2]=4 162 B13R1.202 CC(CC1=C(C=CC=C1)Cl)C(=O)O Z513661398 [0,1,0,0,0,0|1,0,2]=4 163 B13R1.202 CC(CC1=C(C=CC=C1)F)C(=O)O Z513661176 [0,1,0,0,0,0|1,0,2]=4 164 B13R1.202 CC(OC1=C(C=CC=C1)Br)C(=O)O Z228583522 [0,1,0,0,0,0|2,0,1]=4 165 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)O Z65532924 [0,1,0,0,0,0|2,0,1]=4 166 B13R1.202 CC(OC1=C(C=CC=C1)F)C(=O)O Z65532537 [0,1,0,0,0,0|2,0,1]=4 167 B13R1.202 CC(SC1=C(C=CC=C1)Cl)C(=O)O Z56278782 [0,1,0,0,0,0|2,0,1]=4 168 B13R1.202 CC1=C(C=CC=C1)CC(C)C(=O)O Z513660952 [0,1,0,0,0,0|1,0,2]=4 169 B13R1.202 NC(CC1=C(C=CC=C1)Br)C(=O)O Z2217033050 [0,1,0,0,0,0|1,0,2]=4 170 B13R1.202 NC(CC1=C(C=CC=C1)O)C(=O)O Z1065645436 [0,1,0,0,0,0|0,0,2]=3 171 B13R1.202 NC(CC1=C(N=CC=C1)O)C(=O)O Z3492296846 [0,1,0,0,0,0|1,0,2]=4 172 B13R1.202 O=C(O)C(O)CC1=C(C=CC=C1)Cl Z1269030424 [0,1,0,0,0,0|1,0,2]=4 173 B13R1.528 CNC(=O)/C=C/C1=C(C=CC=C1)Cl Z32016690 [0,1,0,0,0,0|2,0,0]=3 174 B13R1.528 CNC(=O)/C=C/C1=C(C=CC=C1)F Z32015497 [0,1,0,0,0,0|2,0,0]=3 175 B13R1.528 CNC(=O)CCC1=C(C=CC=C1)O Z242124126 [0,1,0,0,0,0|1,0,2]=4 176 B13R1.528 CNC(=O)COC1=C(C=CC=C1)O Z32016981 [0,1,0,0,0,0|2,0,1]=4 177 B13R1.528 COC(=O)COC1=C(C=CC=C1)Br Z54831244 [0,1,0,0,0,0|2,0,1]=4 178 B13R1.528 COC(=O)CSC1=C(C=CC=C1)O Z905204662 [0,1,0,0,0,0|1,0,1]=3 179 B13R1.528 NNC(=O)CCC1=C(C=CC=C1)O Z56754987 [0,1,0,0,0,0|1,0,2]=4 180 B13R1.528 NNC(=O)COC1=C(C=CC=C1)O Z56767604 [0,1,0,0,0,0|2,0,1]=4 181 B13R1.528 O=C(CO)NCC1=C(C=CC=C1)Cl Z431953010 [0,1,0,0,0,0|2,0,1]=4 182 B13R1.528 O=C(COC1=C(C=CC=C1)O)NO Z57931373 [0,1,0,0,0,0|1,0,1]=3 183 B13R1.893 CC1=C(C=C(C=C1)Cl)OCC(=O)O Z274764854 [0,1,0,0,0,0|2,0,1]=4 184 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)O Z56820968 [0,1,0,0,0,0|2,0,1]=4 185 B13R1.893 CC1=CC(=C(C=C1)C)SCC(=O)O Z55903768 [0,1,0,0,0,0|2,0,1]=4 186 B13R1.893 CC1=CC(=C(C=C1)Cl)OCC(=O)O Z56899213 [0,1,0,0,0,0|2,0,1]=4 187 B13R1.893 CC1=CC(=C(C=C1)F)OCC(=O)O Z1250417296 [0,1,0,0,0,0|2,0,1]=4 188 B13R1.893 O=C(O)/C=C/C1=C(C=CC(=C1)Br)F Z56955960 [0,1,0,0,0,0|1,0,0]=2 189 B13R1.893 O=C(O)/C=C/C1=C(C=CC(=C1)Cl)Br Z1269118852 [0,1,0,0,0,0|1,0,0]=2 190 B13R1.893 O=C(O)/C=C/C1=C(C=CC(=C1)Cl)Cl Z2895090861 [0,1,0,0,0,0|1,0,0]=2 191 B13R1.893 O=C(O)/C=C/C1=C(C=CC(=C1)F)F Z2942852737 [0,1,0,0,0,0|1,0,0]=2 192 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)Br)F Z426022294 [0,1,0,0,0,0|1,0,2]=4 193 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)Cl)Br Z1269137463 [0,1,0,0,0,0|1,0,2]=4 194 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)F)Br Z426022162 [0,1,0,0,0,0|1,0,2]=4 195 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)F)F Z415635744 [0,1,0,0,0,0|1,0,2]=4 196 B13R1.893 O=C(O)COC1=C(C=CC(=C1)Cl)Cl Z57455032 [0,1,0,0,0,0|2,0,1]=4 197 B13R1.893 O=C(O)COC1=C(C=CC(=C1)Cl)O Z56788158 [0,1,0,0,0,0|1,0,1]=3 198 B13R1.893 O=C(O)COC1=C(C=CC(=C1)F)F Z1117890486 [0,1,0,0,0,0|2,0,1]=4 199 B13R1.893 O=C(O)CSC1=C(C=CC(=C1)Cl)Cl Z55903787 [0,1,0,0,0,0|2,0,1]=4 200 B13R1.893 O=C(O)CSC1=C(C=CC(=C1)F)F Z92608891 [0,1,0,0,0,0|2,0,1]=4 201 B13R1.3787 CC1=C(C(=CC=C1)Br)OCC(=O)O Z3753116757 [0,1,0,0,0,0|2,0,1]=4 202 B13R1.3787 CC1=C(C(=CC=C1)Cl)OCC(=O)O Z1209414278 [0,1,0,0,0,0|2,0,1]=4 203 B13R1.3787 CC1=CC=CC(=C1NCC(=O)O)C Z1262398548 [0,1,0,0,0,0|2,0,1]=4 204 B13R1.3787 CC1=CC=CC(=C1OCC(=O)O)C Z56924437 [0,1,0,0,0,0|2,0,1]=4 205 B13R1.3787 O=C(O)/C=C/C1=C(C=CC=C1Cl)Cl Z2942852261 [0,1,0,0,0,0|1,0,0]=2 206 B13R1.3787 O=C(O)/C=C/C1=C(C=CC=C1F)F Z2942853224 [0,1,0,0,0,0|1,0,0]=2 207 B13R1.3787 O=C(O)CCC1=C(C=CC=C1Cl)Cl Z317038036 [0,1,0,0,0,0|1,0,2]=4 208 B13R1.3787 O=C(O)CCC1=C(C=CC=C1F)Cl Z317038042 [0,1,0,0,0,0|1,0,2]=4 209 B13R1.3787 O=C(O)CCC1=C(C=CC=C1F)F Z317037972 [0,1,0,0,0,0|1,0,2]=4 210 B13R1.3787 O=C(O)COC1=C(C=CC=C1Cl)Cl Z56928539 [0,1,0,0,0,0|2,0,1]=4 211 B13R1.3787 O=C(O)CSC1=C(C=CC=C1Cl)Cl Z56960314 [0,1,0,0,0,0|2,0,1]=4 212 B13R2.33 O=C1C=CC2=C(C=CC=C2)OC1 Z1513599062 [0,0,0,1,0,0|1,0,0]=2 213 B13R2.435 CC(=O)C1=CC2=C(N1)C=CC=C2 Z1198159037 [0,0,0,1,0,0|2,0,0]=3 214 B13R2.435 CC(=O)C1=CC2=C(O1)C=CC=C2 Z57054215 [0,0,0,1,0,0|1,0,0]=2 215 B13R2.435 CC(=O)C1=CC2=C(O1)C=CN=C2 Z1416167642 [0,0,0,1,0,0|2,0,0]=3 216 B13R2.435 CC(=O)C1=CC2=C(S1)C=CC=C2 Z337709350 [0,0,0,1,0,0|1,1,0]=3 217 B13R2.435 CC(=O)C1=CN2C=CC=CC2=N1 Z1255374098 [0,0,0,1,0,0|3,0,0]=4 218 B13R2.435 CC(=O)C1=NC2=C(N1)C=CC=C2 Z90124730 [0,0,0,1,0,0|3,0,0]=4 219 B13R2.435 CC(=O)C1=NC2=C(S1)C=CC=C2 Z57218968 [0,0,0,1,0,0|2,1,0]=4 220 B13R2.435 CC(N)C1=CC2=C(O1)C=CC=C2 Z90664473 [0,0,0,1,0,0|2,0,1]=4 221 B13R2.435 C[C@@H](O)C1=CC2=C(O1)C=CC=C2 Z959151760 [0,0,0,1,0,0|1,0,1]=3 222 B13R2.435 C[C@H](N)C1=CC2=C(O1)C=CC=C2 Z1795817788 [0,0,0,1,0,0|2,0,1]=4 223 B13R2.435 N=C(N)C1=CC2=C(O1)C=CC=C2 Z1258943398 [0,0,0,1,0,0|2,0,0]=3 224 B13R2.435 NC(=O)C1=CC2=C(N1)C=CC=C2 Z101185700 [0,0,0,1,0,0|2,0,0]=3 225 B13R2.435 NC(=O)C1=CN2C=CC=CC2=N1 Z145118994 [0,0,0,1,0,0|3,0,0]=4 226 B13R2.435 NC(=O)C1=NC2=C(N1)C=CC=C2 Z276687202 [0,0,0,1,0,0|3,0,0]=4 227 B13R2.435 NC(=O)C1=NC2=C(O1)C=CC=C2 Z1198221051 [0,0,0,1,0,0|2,0,0]=3 228 B13R2.435 NC(=O)C1CC2=C(O1)C=CC=C2 Z116821856 [0,0,0,1,0,0|1,0,2]=4 229 B13R2.435 O=C(O)C1=CC2=C(C1)C=CC=C2 Z1255423596 [0,0,0,1,0,0|1,0,0]=2 230 B13R2.435 O=C(O)C1=CC2=C(N1)C=CC=C2 Z56347139 [0,0,0,1,0,0|1,0,0]=2 231 B13R2.435 O=C(O)C1=CC2=C(N1)C=CC=N2 Z1198266663 [0,0,0,1,0,0|2,0,0]=3 232 B13R2.435 O=C(O)C1=CC2=C(N1)C=NC=C2 Z1198323516 [0,0,0,1,0,0|2,0,0]=3 233 B13R2.435 O=C(O)C1=CC2=C(O1)C=CC=C2 Z56839706 [0,0,0,1,0,0|0,0,0]=1 234 B13R2.435 O=C(O)C1=CC2=C(O1)C=CC=N2 Z2670715454 [0,0,0,1,0,0|1,0,0]=2 235 B13R2.435 O=C(O)C1=CC2=C(O1)C=CN=C2 Z1255443420 [0,0,0,1,0,0|1,0,0]=2 236 B13R2.435 O=C(O)C1=CC2=C(S1)C=CC=C2 Z89265777 [0,0,0,1,0,0|0,1,0]=2 237 B13R2.435 O=C(O)C1=CC2=C(S1)C=NC=C2 Z1255380800 [0,0,0,1,0,0|1,1,0]=3 238 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 Z367448406 [0,0,0,1,0,0|3,0,0]=4 239 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 Z1262529348 [0,0,0,1,0,0|3,0,0]=4 240 B13R2.435 O=C(O)C1=CN2N=CC=CC2=N1 Z4562240338 [0,0,0,1,0,0|3,0,0]=4 241 B13R2.435 O=C(O)C1=NC2=C(N1)C=CC=C2 Z274592454 [0,0,0,1,0,0|2,0,0]=3 242 B13R2.435 O=C(O)C1=NC2=C(S1)C=CC=C2 Z56899149 [0,0,0,1,0,0|1,1,0]=3 243 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 Z1171753366 [0,0,0,1,0,0|2,0,0]=3 244 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 Z1198153206 [0,0,0,1,0,0|3,0,0]=4 245 B13R2.435 O=C(O)C1=NN2N=CC=CC2=C1 Z1255445693 [0,0,0,1,0,0|3,0,0]=4 246 B13R2.435 O=C(O)C1CC2=C(C1)C=CC=C2 Z607808530 [0,0,0,1,0,0|1,0,2]=4 247 B13R2.435 O=C(O)C1CC2=C(N1)C=CC=C2 Z343211224 [0,0,0,1,0,0|1,0,2]=4 248 B13R2.435 O=C(O)C1CC2=C(O1)C=CC=C2 Z104377952 [0,0,0,1,0,0|0,0,2]=3 249 B13R2.435 O=C(O)C1CC2=C(S1)C=CC=C2 Z221583708 [0,0,0,1,0,0|0,1,2]=4 250 B13R2.435 O=C(O)[C@@H]1CC2=C(N1)C=CC=C2 Z335079490 [0,0,0,1,0,0|1,0,2]=4 251 B13R2.435 O=[N+]([O-])C1=CC2=C(N1)C=CC=C2 Z1255396542 [0,0,0,1,0,0|2,0,1]=4 252 B13R2.435 OB(O)C1=CC2=C(O1)C=CC=C2 Z1255383399 [0,0,0,1,0,0|1,0,1]=3 253 B13R2.435 OB(O)C1=CC2=C(S1)C=CC=C2 Z1255488387 [0,0,0,1,0,0|1,1,1]=4 254 B13R2.4852 O=C(O)C1CC2=C(C=CC=C12)Cl Z1262515365 [0,0,0,1,0,0|1,0,2]=4 255 B13R2.5179 CC1=C2C=CC(=CC2=CC=N1)O Z5118509881 [0,0,0,1,0,0|3,0,0]=4 256 B13R2.5179 CC1=C2C=CC(=CC2=CN=C1)O Z5234128300 [0,0,0,1,0,0|3,0,0]=4 257 B13R2.5179 CC1=C2N=CC(=CC2=CC=C1)O Z1255393213 [0,0,0,1,0,0|3,0,0]=4 258 B13R2.5179 CC1=CC2=C(N=C1)C(=CC=C2)O Z2938032125 [0,0,0,1,0,0|3,0,0]=4 259 B13R2.5179 CC1=NC2=C(C=C1)C(=CC=C2)O Z1255445531 [0,0,0,1,0,0|2,0,0]=3 260 B13R2.5179 CC1=NC2=C(C=C1)C(=CC=N2)O Z1198180960 [0,0,0,1,0,0|3,0,0]=4 261 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)F Z2733346661 [0,0,0,1,0,0|3,0,0]=4 262 B13R2.5179 NC1=C2C=CC(=O)NC2=CC=C1 Z1255404536 [0,0,0,1,0,0|2,0,0]=3 263 B13R2.5179 NC1=NC2=C(C=C1)C(=CC=C2)Cl Z1255463759 [0,0,0,1,0,0|3,0,0]=4 264 B13R2.5179 O=C1C=CC2=C(C=CC=C2N1)Br Z1269163820 [0,0,0,1,0,0|2,0,0]=3 265 B13R2.5179 O=C1C=NC2=C(C=CC=C2N1)Cl Z3300694292 [0,0,0,1,0,0|3,0,0]=4 266 B13R2.5179 O=C1NCC2=C(C=CC=C2O1)O Z1509303010 [0,0,0,1,0,0|1,0,1]=3 267 B13R2.5179 OC1=C2C=CC(=CC2=NC=C1)Cl Z1255464975 [0,0,0,1,0,0|3,0,0]=4 268 B13R2.5179 OC1=C2N=CC(=CC2=CC=C1)Br Z1269114800 [0,0,0,1,0,0|3,0,0]=4 269 B13R2.5179 OC1=CC2=C(C=C1)C(=CC=C2)O Z57663556 [0,0,0,1,0,0|1,0,0]=2 270 B13R2.5179 OC1=CC2=C(C=C1)C(=CC=N2)O Z234894089 [0,0,0,1,0,0|2,0,0]=3 271 B13R2.5179 OC1=CC2=C(N=C1)C(=CC=C2)Br Z1267861242 [0,0,0,1,0,0|3,0,0]=4 272 B13R2.5179 OC1=CC2=C(N=C1)C(=CC=C2)F Z1255449524 [0,0,0,1,0,0|3,0,0]=4 273 B13R2.5179 OC1=CC2=C(N=C1)C(=CC=C2)O Z1255394176 [0,0,0,1,0,0|2,0,0]=3 274 B13R2.5179 OC1=CC=CC2=C1C=CC(=N2)O Z1198306810 [0,0,0,1,0,0|1,0,0]=2 275 B13R2.5179 OC1=NC2=C(N=C1)C(=CC=C2)F Z2681262459 [0,0,0,1,0,0|3,0,0]=4 276 B11R1.86 CC(=O)CC1=C(C=CC=C1)C Z329711570 [0,0,0,0,1,0|2,0,1]=4 277 B11R1.86 CC(=O)CC1=C(C=CC=C1)Cl Z329711556 [0,0,0,0,1,0|2,0,1]=4 278 B11R1.86 CC(=O)CC1=C(C=CC=C1)I Z1335657335 [0,0,0,0,1,0|2,0,1]=4 279 B11R1.86 CC(=O)CC1=C(C=CC=C1)O Z1198152110 [0,0,0,0,1,0|1,0,1]=3 280 B11R1.86 CC(=O)NC1=C(C=CC=C1)N Z239120544 [0,0,0,0,1,0|3,0,0]=4 281 B11R1.86 CC(=O)NC1=C(C=CC=C1)O Z57040482 [0,0,0,0,1,0|2,0,0]=3 282 B11R1.86 CC(=O)OC1=C(C=CC=C1)O Z1513803522 [0,0,0,0,1,0|2,0,0]=3 283 B11R1.86 CC1=C(C=CC=C1)CC(=O)N Z52214433 [0,0,0,0,1,0|2,0,1]=4 284 B11R1.86 CC1=C(C=CC=C1)CC(=O)O Z104503424 [0,0,0,0,1,0|1,0,1]=3 285 B11R1.86 CC1=C(C=CC=N1)CC(=O)O Z2050687800 [0,0,0,0,1,0|2,0,1]=4 286 B11R1.86 CC1=C(C=NC=C1)CC(=O)O Z1198264460 [0,0,0,0,1,0|2,0,1]=4 287 B11R1.86 NC(=O)CC1=C(C=CC=C1)Cl Z33547171 [0,0,0,0,1,0|2,0,1]=4 288 B11R1.86 NC(=O)CC1=C(C=CC=C1)F Z33546803 [0,0,0,0,1,0|2,0,1]=4 289 B11R1.86 NC(=O)CC1=C(C=CC=C1)N Z239125326 [0,0,0,0,1,0|2,0,1]=4 290 B11R1.86 NC(=O)CC1=C(C=CC=C1)O Z1255356155 [0,0,0,0,1,0|1,0,1]=3 291 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br Z247615996 [0,0,0,0,1,0|3,0,0]=4 292 B11R1.86 NC(=O)NC1=C(C=CC=C1)Cl Z56754680 [0,0,0,0,1,0|3,0,0]=4 293 B11R1.86 NC(=O)NC1=C(C=CC=C1)F Z57028527 [0,0,0,0,1,0|3,0,0]=4 294 B11R1.86 NC1=C(C=CC=N1)CC(=O)O Z1889710265 [0,0,0,0,1,0|2,0,1]=4 295 B11R1.86 O=C(O)CC1=C(C=CC=C1)Br Z285184626 [0,0,0,0,1,0|1,0,1]=3 296 B11R1.86 O=C(O)CC1=C(C=CC=C1)Cl Z56911957 [0,0,0,0,1,0|1,0,1]=3 297 B11R1.86 O=C(O)CC1=C(C=CC=C1)F Z104495526 [0,0,0,0,1,0|1,0,1]=3 298 B11R1.86 O=C(O)CC1=C(C=CC=C1)I Z1269196288 [0,0,0,0,1,0|1,0,1]=3 299 B11R1.86 O=C(O)CC1=C(C=CC=C1)O Z608061328 [0,0,0,0,1,0|0,0,1]=2 300 B11R1.86 O=C(O)CC1=C(C=CN=C1)Cl Z2096659743 [0,0,0,0,1,0|2,0,1]=4 301 B11R1.86 O=C(O)CC1=C(C=CN=C1)O Z1255444750 [0,0,0,0,1,0|1,0,1]=3 302 B11R1.86 O=C(O)CC1=C(N=CC=C1)Br Z1269238080 [0,0,0,0,1,0|2,0,1]=4 303 B11R1.86 O=C(O)CN1C=CC=CC1=O Z57985357 [0,0,0,0,1,0|1,0,2]=4 304 B11R1.90 CC1=C(SC=C1)/C=C/C(=O)O Z2942851704 [0,0,0,0,1,0|2,0,0]=3 305 B11R1.90 CC1=C(SC=N1)/C=C/C(=O)O Z2607864646 [0,0,0,0,1,0|3,0,0]=4 306 B11R1.90 CN1C=CC=C1/C=C/C(=O)O Z2312400648 [0,0,0,0,1,0|2,0,0]=3 307 B11R1.90 CN1C=NC=C1/C=C/C(=O)O Z1198166906 [0,0,0,0,1,0|3,0,0]=4 308 B11R1.90 CN1N=CC=C1/C=C/C(=O)O Z2942852065 [0,0,0,0,1,0|3,0,0]=4 309 B13R1.158 CC1=C(C=CC=C1)CNCC(=O)O Z763366336 [0,0,0,0,0,1|1,0,2]=4 310 B13R1.158 CC1=C(C=CC=C1)COCC(=O)O Z1251362361 [0,0,0,0,0,1|1,0,2]=4 311 B13R1.158 CC1=C(C=CC=C1)NCCC(=O)O Z56922066 [0,0,0,0,0,1|1,0,2]=4 312 B13R1.158 CC1=C(C=CC=C1)OCCC(=O)O Z56805748 [0,0,0,0,0,1|1,0,2]=4 313 B13R1.158 NC(=O)N/N=C/C1=C(C=CC=C1)Br Z49560875 [0,0,0,0,0,1|3,0,0]=4 314 B13R1.158 NC(=S)N/N=C/C1=C(C=CC=C1)O Z49561499 [0,0,0,0,0,1|2,1,0]=4 315 B13R1.158 NC1=C(C=CC=C1)CCCC(=O)O Z1982493918 [0,0,0,0,0,1|1,0,2]=4 316 B13R1.158 O=C(O)C/C=C/C1=C(C=CC=C1)F Z1354602491 [0,0,0,0,0,1|1,0,0]=2 317 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Br Z1097106913 [0,0,0,0,0,1|1,0,2]=4 318 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Cl Z1209411177 [0,0,0,0,0,1|1,0,2]=4 319 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)F Z1198171601 [0,0,0,0,0,1|1,0,2]=4 320 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Br Z295439184 [0,0,0,0,0,1|1,0,2]=4 321 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Cl Z206905212 [0,0,0,0,0,1|1,0,2]=4 322 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)F Z56922157 [0,0,0,0,0,1|1,0,2]=4 323 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)O Z1262518325 [0,0,0,0,0,1|0,0,2]=3 324 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Br Z293002250 [0,0,0,0,0,1|1,0,2]=4 325 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Cl Z56813499 [0,0,0,0,0,1|1,0,2]=4 326 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)F Z103229718 [0,0,0,0,0,1|1,0,2]=4 327 B13R1.158 O=C(O)COCC1=C(C=CC=C1)Cl Z316259048 [0,0,0,0,0,1|1,0,2]=4 328 B13R1.158 O=C(O)CSCC1=C(C=CC=C1)Cl Z19691784 [0,0,0,0,0,1|1,0,2]=4 329 B10R1.4 C=CCC1=C(C=CC=C1)O Z104493210 [2,0,0,0,0,0|0,0,1]=3 330 B10R1.4 CC1=C(C=CC=C1)/C=N/O Z49568554 [2,0,0,0,0,0|2,0,0]=4 331 B10R1.4 CC1=C(C=CC=C1)CC=O Z993017618 [2,0,0,0,0,0|1,0,1]=4 332 B10R1.4 O/N=C/C1=C(C=CC=C1)Br Z49568618 [2,0,0,0,0,0|2,0,0]=4 333 B10R1.4 O/N=C/C1=C(C=CC=C1)F Z49568531 [2,0,0,0,0,0|2,0,0]=4 334 B10R1.4 O/N=C/C1=C(C=CC=C1)O Z49568319 [2,0,0,0,0,0|1,0,0]=3 335 B10R1.4 O=CCC1=C(C=CC=C1)Br Z1183459130 [2,0,0,0,0,0|1,0,1]=4 336 B10R1.4 O=CCC1=C(C=CC=C1)F Z993017796 [2,0,0,0,0,0|1,0,1]=4 337 B10R1.17 NC/C=C/C1=CC=CC=C1 Z2953771905 [2,0,0,0,0,0|1,0,1]=4 338 B10R1.17 O=C/C=C/C1=CC=CC=C1 Z3219847383 [2,0,0,0,0,0|0,0,0]=2 339 B10R1.17 O=C/C=C/C1=CC=NC=C1 Z2417822722 [2,0,0,0,0,0|1,0,0]=3 340 B10R1.17 O=C/C=C/C1=NC=CC=C1 Z1255366309 [2,0,0,0,0,0|1,0,0]=3 341 B10R1.17 O=CC#CC1=CC=CC=C1 Z1255485337 [2,0,0,0,0,0|0,0,2]=4 342 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [2,0,0,0,0,0|0,0,2]=4 343 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [2,0,0,0,0,0|1,0,1]=4 344 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [2,0,0,0,0,0|1,0,1]=4 345 B10R1.17 O=CNNC1=CC=CC=C1 Z1198148433 [2,0,0,0,0,0|2,0,0]=4 346 B10R1.17 OC/C=C/C1=CC=CC=C1 Z104473562 [2,0,0,0,0,0|0,0,1]=3 347 B12R1.69 O=C/C=C/C1=C(C=C(C=C1)F)F Z1198173301 [1,1,0,0,0,0|1,0,0]=3 348 B12R1.121 COC1=C(C=CC=C1)/C=C/C=O Z2573655488 [1,1,0,0,0,0|0,0,0]=2 349 B12R1.121 COC1=C(C=CC=C1)CCC=O Z993017838 [1,1,0,0,0,0|0,0,2]=4 350 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F Z1201619760 [1,1,0,0,0,0|1,0,0]=3 351 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)O Z2942851512 [1,1,0,0,0,0|0,0,0]=2 352 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O Z169855336 [1,1,0,0,0,0|0,0,2]=4 353 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O Z56812739 [1,1,0,0,0,0|1,0,1]=4 354 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O Z55903478 [1,1,0,0,0,0|1,0,1]=4 355 B12R1.21 CC1=CN=C(C=C1)/C=C/C(=O)O Z1816507718 [1,1,0,0,0,0|1,0,0]=3 356 B12R1.21 CC1=NC=C(C=C1)/C=C/C(=O)O Z1815157396 [1,1,0,0,0,0|1,0,0]=3 357 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Br Z33545605 [1,1,0,0,0,0|1,0,0]=3 358 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O Z56762319 [1,1,0,0,0,0|0,0,0]=2 359 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O Z336079452 [1,1,0,0,0,0|0,0,2]=4 360 B12R1.21 NC1=CC=C(C=C1)OCC(=O)O Z3241275736 [1,1,0,0,0,0|1,0,1]=4 361 B12R1.21 NC1=NC=C(C=C1)/C=C/C(=O)O Z1374884316 [1,1,0,0,0,0|1,0,0]=3 362 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Br Z2237493681 [1,1,0,0,0,0|0,0,0]=2 363 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Cl Z56989206 [1,1,0,0,0,0|0,0,0]=2 364 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)F Z2942851074 [1,1,0,0,0,0|0,0,0]=2 365 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)O Z56911963 [1,1,0,0,0,0|0,0,0]=2 366 B12R1.21 O=C(O)/C=C/C1=CN=C(C=C1)Cl Z1962225677 [1,1,0,0,0,0|1,0,0]=3 367 B12R1.21 O=C(O)/C=C/C1=CN=C(C=C1)F Z2949503127 [1,1,0,0,0,0|1,0,0]=3 368 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Br Z118438622 [1,1,0,0,0,0|0,0,2]=4 369 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Cl Z178961272 [1,1,0,0,0,0|0,0,2]=4 370 B12R1.21 O=C(O)CCC1=CC=C(C=C1)F Z89264973 [1,1,0,0,0,0|0,0,2]=4 371 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [1,1,0,0,0,0|0,0,2]=4 372 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Br Z274534708 [1,1,0,0,0,0|1,0,1]=4 373 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Cl Z274534702 [1,1,0,0,0,0|1,0,1]=4 374 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O Z57127481 [1,1,0,0,0,0|1,0,1]=4 375 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br Z56812736 [1,1,0,0,0,0|1,0,1]=4 376 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl Z57181989 [1,1,0,0,0,0|1,0,1]=4 377 B12R1.21 O=C(O)COC1=CC=C(C=C1)F Z56978034 [1,1,0,0,0,0|1,0,1]=4 378 B12R1.21 O=C(O)COC1=CC=C(C=C1)I Z56943814 [1,1,0,0,0,0|1,0,1]=4 379 B12R1.21 O=C(O)COC1=CC=C(C=C1)O Z1192367471 [1,1,0,0,0,0|1,0,1]=4 380 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Br Z55903477 [1,1,0,0,0,0|1,0,1]=4 381 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Cl Z55179956 [1,1,0,0,0,0|1,0,1]=4 382 B12R1.21 O=C(O)CSC1=CC=C(C=C1)F Z55903650 [1,1,0,0,0,0|1,0,1]=4 383 B12R1.21 O=C(O)CSC1=CC=C(C=C1)O Z733878444 [1,1,0,0,0,0|1,0,1]=4 384 B12R1.21 O=[N+]([O-])/C=C/C1=CC=C(C=C1)Cl Z208331660 [1,1,0,0,0,0|1,0,1]=4 385 B12R1.27 COC(=O)/C=C/C1=CC=CC=C1 Z19782655 [1,1,0,0,0,0|0,0,0]=2 386 B12R1.27 COC(=O)/C=C/C1=CC=NC=C1 Z3226989482 [1,1,0,0,0,0|1,0,0]=3 387 B12R1.27 COC(=O)/C=C/C1=CN=CN=C1 Z2177030874 [1,1,0,0,0,0|2,0,0]=4 388 B12R1.27 COC(=O)/C=C/C1=NC=NC=C1 Z2637047870 [1,1,0,0,0,0|2,0,0]=4 389 B12R1.27 COC(=O)CCC1=CC=CC=C1 Z18264384 [1,1,0,0,0,0|0,0,2]=4 390 B12R1.27 COC(=O)CNC1=CC=CC=C1 Z1250132387 [1,1,0,0,0,0|1,0,1]=4 391 B12R1.27 COC(=O)NNC1=CC=CC=C1 Z56755853 [1,1,0,0,0,0|2,0,0]=4 392 B12R1.27 O=C(CO)NCC1=CC=CC=C1 Z228585446 [1,1,0,0,0,0|1,0,1]=4 393 B12R1.43 C/C(=C\C1=CC=CC=C1)/C(=O)O Z2980228149 [1,1,0,0,0,0|0,0,0]=2 394 B12R1.43 C/C(=C\C1=CC=NC=C1)/C(=O)O Z2466682039 [1,1,0,0,0,0|1,0,0]=3 395 B12R1.43 C/C(=C\C1=CN=CC=C1)/C(=O)O Z2467131746 [1,1,0,0,0,0|1,0,0]=3 396 B12R1.43 C/C(=C\C1=NC=CC=C1)/C(=O)O Z2467234655 [1,1,0,0,0,0|1,0,0]=3 397 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [1,1,0,0,0,0|0,0,2]=4 398 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O Z57982184 [1,1,0,0,0,0|1,0,1]=4 399 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O Z57825333 [1,1,0,0,0,0|1,0,1]=4 400 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O Z90122656 [1,1,0,0,0,0|1,0,1]=4 401 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [1,1,0,0,0,0|0,0,2]=4 402 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [1,1,0,0,0,0|0,0,2]=4 403 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [1,1,0,0,0,0|0,0,2]=4 404 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [1,1,0,0,0,0|0,0,2]=4 405 B12R1.43 O=C(O)/C(=C/C1=CN=CC=C1)/F Z2081677235 [1,1,0,0,0,0|1,0,0]=3 406 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 Z285151774 [1,1,0,0,0,0|0,0,1]=3 407 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 Z362848468 [1,1,0,0,0,0|1,0,0]=3 408 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [1,1,0,0,0,0|0,0,2]=4 409 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [1,1,0,0,0,0|0,0,2]=4 410 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [1,1,0,0,0,0|0,0,2]=4 411 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 Z352748396 [1,1,0,0,0,0|0,0,0]=2 412 B12R1.107 C/C(=C\C(=O)O)/C1=CC=NC=C1 Z352748124 [1,1,0,0,0,0|1,0,0]=3 413 B12R1.107 C/C(=C\C(=O)O)/C1=CN=CC=C1 Z352748104 [1,1,0,0,0,0|1,0,0]=3 414 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 Z56899204 [1,1,0,0,0,0|0,0,2]=4 415 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z1162448842 [1,1,0,0,0,0|1,0,1]=4 416 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 Z94601171 [1,1,0,0,0,0|0,0,2]=4 417 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 Z756925772 [1,1,0,0,0,0|0,0,2]=4 418 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 Z1696091779 [1,1,0,0,0,0|0,0,2]=4 419 B12R1.107 O=C(O)/C=C(\F)/C1=CN=CC=C1 Z4602486084 [1,1,0,0,0,0|1,0,0]=3 420 B12R1.107 O=C(O)/C=C(\I)/C1=CC=CC=C1 Z3379426714 [1,1,0,0,0,0|0,0,0]=2 421 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [1,1,0,0,0,0|0,0,2]=4 422 B12R1.107 O=C(O)NC(=O)C1=CC=CC=C1 Z56928966 [1,1,0,0,0,0|1,0,0]=3 423 B12R1.226 CC1=CC(=CC=C1)/C=C/C(=O)O Z2942851787 [1,1,0,0,0,0|0,0,0]=2 424 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O Z169993866 [1,1,0,0,0,0|0,0,2]=4 425 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O Z56899056 [1,1,0,0,0,0|1,0,1]=4 426 B12R1.226 CC1=CC(=CC=C1)SCC(=O)O Z778642574 [1,1,0,0,0,0|1,0,1]=4 427 B12R1.226 CC1=CC(=CN=C1)/C=C/C(=O)O Z1473962891 [1,1,0,0,0,0|1,0,0]=3 428 B12R1.226 NC1=CC(=CC=C1)/C=C/C(=O)O Z2942853438 [1,1,0,0,0,0|0,0,0]=2 429 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Br Z2312942093 [1,1,0,0,0,0|0,0,0]=2 430 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Cl Z2573655238 [1,1,0,0,0,0|0,0,0]=2 431 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)F Z2935925467 [1,1,0,0,0,0|0,0,0]=2 432 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)O Z247613734 [1,1,0,0,0,0|0,0,0]=2 433 B12R1.226 O=C(O)/C=C/C1=CC(=CN=C1)F Z2587702979 [1,1,0,0,0,0|1,0,0]=3 434 B12R1.226 O=C(O)/C=C/C1=CC(=CN=C1)O Z1518653071 [1,1,0,0,0,0|1,0,0]=3 435 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)Br Z1269228386 [1,1,0,0,0,0|1,0,0]=3 436 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)Cl Z1255503510 [1,1,0,0,0,0|1,0,0]=3 437 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)O Z2633787192 [1,1,0,0,0,0|1,0,0]=3 438 B12R1.226 O=C(O)/C=C/C1=NC(=CC=C1)Cl Z1255503511 [1,1,0,0,0,0|1,0,0]=3 439 B12R1.226 O=C(O)C#CC1=CC(=CC=C1)Cl Z1143242523 [1,1,0,0,0,0|0,0,2]=4 440 B12R1.226 O=C(O)CCC1=CC(=CC=C1)Br Z56943439 [1,1,0,0,0,0|0,0,2]=4 441 B12R1.226 O=C(O)CCC1=CC(=CC=C1)F Z185153196 [1,1,0,0,0,0|0,0,2]=4 442 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [1,1,0,0,0,0|0,0,2]=4 443 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl Z274534700 [1,1,0,0,0,0|1,0,1]=4 444 B12R1.226 O=C(O)COC1=CC(=CC=C1)Br Z56812737 [1,1,0,0,0,0|1,0,1]=4 445 B12R1.226 O=C(O)COC1=CC(=CC=C1)Cl Z57008935 [1,1,0,0,0,0|1,0,1]=4 446 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Br Z255149890 [1,1,0,0,0,0|1,0,1]=4 447 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Cl Z994465872 [1,1,0,0,0,0|1,0,1]=4 448 B12R1.226 O=C(O)CSC1=CC(=CC=C1)F Z1198220671 [1,1,0,0,0,0|1,0,1]=4 449 B12R1.226 O=C(O)CSC1=CC(=CC=C1)O Z1262555002 [1,1,0,0,0,0|1,0,1]=4 450 B12R1.226 O=[N+]([O-])/C=C/C1=CC(=CC=C1)I Z56757676 [1,1,0,0,0,0|1,0,1]=4 451 B12R1.891 NS(=O)(=O)/C=C/C1=CC=CC=C1 Z45415579 [1,1,0,0,0,0|1,0,1]=4 452 B12R1.891 O=S(=O)(F)/C=C/C1=CC=CC=C1 Z1999520401 [1,1,0,0,0,0|1,0,1]=4 453 B12R1.75 CCC1=C(C=CC=C1)CC(=O)O Z1198264425 [0,1,0,0,1,0|1,0,1]=4 454 B12R1.75 COC1=C(C=CC=C1)CC(=O)N Z33545381 [0,1,0,0,1,0|1,0,1]=4 455 B12R1.75 COC1=C(C=CC=C1)CC(=O)O Z104485032 [0,1,0,0,1,0|0,0,1]=3 456 B12R1.75 COC1=C(C=CC=C1)NC(=O)C Z27797377 [0,1,0,0,1,0|2,0,0]=4 457 B12R1.75 COC1=C(C=CC=C1)NC(=O)N Z56754689 [0,1,0,0,1,0|2,0,0]=4 458 B12R1.75 COC1=C(C=NC=C1)CC(=O)O Z2609473538 [0,1,0,0,1,0|1,0,1]=4 459 B12R1.75 CSC1=C(C=CC=C1)CC(=O)O Z1255403889 [0,1,0,0,1,0|0,1,1]=4 460 B12R1.75 NCC1=C(C=CC=C1)CC(=O)O Z1198163910 [0,1,0,0,1,0|1,0,1]=4 461 B12R1.75 O=C([O-])CC1=C(C=CC=C1)CO Z1762997367 [0,1,0,0,1,0|0,0,2]=4 462 B12R1.124 C=C(C(=O)O)C1=C(C=CC=C1)F Z1255374937 [0,1,0,0,1,0|1,0,0]=3 463 B12R1.124 CC(C(=O)O)C1=C(C=CC=C1)Cl Z982130746 [0,1,0,0,1,0|1,0,1]=4 464 B12R1.124 CC(C(=O)O)C1=C(C=CC=C1)F Z792377276 [0,1,0,0,1,0|1,0,1]=4 465 B12R1.124 CC1=C(C=CC=C1)C(C)C(=O)O Z792377258 [0,1,0,0,1,0|1,0,1]=4 466 B12R1.124 CC1=C(C=CC=C1)C(N)C(=O)O Z317024660 [0,1,0,0,1,0|1,0,1]=4 467 B12R1.124 NC(C(=O)O)C1=C(C=CC=C1)Br Z317024716 [0,1,0,0,1,0|1,0,1]=4 468 B12R1.124 NC(C(=O)O)C1=C(C=CC=C1)F Z317024726 [0,1,0,0,1,0|1,0,1]=4 469 B12R1.124 NC(C(=O)O)C1=C(C=CC=C1)I Z2941400819 [0,1,0,0,1,0|1,0,1]=4 470 B12R1.124 O=C(O)C(O)C1=C(C=CC=C1)Br Z788000812 [0,1,0,0,1,0|1,0,1]=4 471 B12R1.124 O=C(O)C(O)C1=C(C=CC=C1)I Z1269111466 [0,1,0,0,1,0|1,0,1]=4 472 B12R1.124 O=C(O)[C@H](O)C1=C(C=CC=C1)Cl Z1255488133 [0,1,0,0,1,0|1,0,1]=4 473 B12R1.127 CC(=O)NC1=C(C=CC(=C1)N)O Z1198342725 [0,1,0,0,1,0|2,0,0]=4 474 B12R1.127 CC1=C(C=C(C=C1)Br)CC(=O)O Z1269235842 [0,1,0,0,1,0|1,0,1]=4 475 B12R1.127 CC1=CC(=C(C=C1)Br)CC(=O)O Z1269198963 [0,1,0,0,1,0|1,0,1]=4 476 B12R1.127 CC1=CC(=C(C=C1)C)CC(=O)O Z234894443 [0,1,0,0,1,0|1,0,1]=4 477 B12R1.127 CC1=CC(=C(C=C1)F)CC(=O)O Z982130030 [0,1,0,0,1,0|1,0,1]=4 478 B12R1.127 O=C(O)CC1=C(C=CC(=C1)Br)Br Z1269185355 [0,1,0,0,1,0|1,0,1]=4 479 B12R1.127 O=C(O)CC1=C(C=CC(=C1)Br)Cl Z1269155132 [0,1,0,0,1,0|1,0,1]=4 480 B12R1.127 O=C(O)CC1=C(C=CC(=C1)Br)F Z285225836 [0,1,0,0,1,0|1,0,1]=4 481 B12R1.127 O=C(O)CC1=C(C=CC(=C1)Cl)Br Z1269132555 [0,1,0,0,1,0|1,0,1]=4 482 B12R1.127 O=C(O)CC1=C(C=CC(=C1)F)Br Z285131566 [0,1,0,0,1,0|1,0,1]=4 483 B12R1.127 O=C(O)CC1=C(C=CC(=C1)F)F Z362118692 [0,1,0,0,1,0|1,0,1]=4 484 B12R1.127 O=C(O)CC1=C(C=CC(=C1)F)O Z1255403749 [0,1,0,0,1,0|0,0,1]=3 485 B12R1.127 O=C(O)CC1=C(C=CC(=C1)I)Br Z1269158801 [0,1,0,0,1,0|1,0,1]=4 486 B12R1.127 O=C(O)CC1=C(C=CC(=C1)O)Br Z1269121921 [0,1,0,0,1,0|1,0,1]=4 487 B12R1.224 CC1=C(C(=CC=C1)CC(=O)O)Br Z1269227300 [0,1,0,0,1,0|1,0,1]=4 488 B12R1.224 CC1=C(C(=CC=C1)CC(=O)O)Cl Z1198264659 [0,1,0,0,1,0|1,0,1]=4 489 B12R1.224 CC1=C(C=CC=C1Br)CC(=O)O Z1269111906 [0,1,0,0,1,0|1,0,1]=4 490 B12R1.224 NC1=C(C(=CC=C1)CC(=O)O)N Z1551954875 [0,1,0,0,1,0|1,0,1]=4 491 B12R1.224 O=C(O)CC1=C(C(=CC=C1)Br)Cl Z1269150472 [0,1,0,0,1,0|1,0,1]=4 492 B12R1.224 O=C(O)CC1=C(C(=CC=C1)Br)I Z1269162570 [0,1,0,0,1,0|1,0,1]=4 493 B12R1.224 O=C(O)CC1=C(C(=CC=C1)Cl)Cl Z982129970 [0,1,0,0,1,0|1,0,1]=4 494 B12R1.224 O=C(O)CC1=C(C(=CC=C1)F)F Z445167096 [0,1,0,0,1,0|1,0,1]=4 495 B12R1.224 O=C(O)CC1=C(C(=CC=C1)O)F Z1198218753 [0,1,0,0,1,0|1,0,1]=4 496 B12R1.233 CC(=O)NC1=C(C=C(C=C1)C)O Z33451994 [0,1,0,0,1,0|2,0,0]=4 497 B12R1.233 CC1=C(C=CC(=C1)Br)CC(=O)O Z1269213926 [0,1,0,0,1,0|1,0,1]=4 498 B12R1.233 CC1=C(C=CC(=C1)F)CC(=O)O Z982130478 [0,1,0,0,1,0|1,0,1]=4 499 B12R1.233 CC1=CC(=C(C=C1)CC(=O)O)Br Z1269232519 [0,1,0,0,1,0|1,0,1]=4 500 B12R1.233 NC1=CC(=C(C=C1)CC(=O)O)F Z1198183551 [0,1,0,0,1,0|1,0,1]=4 501 B12R1.233 O=C(O)CC1=C(C=C(C=C1)Br)Cl Z1269137680 [0,1,0,0,1,0|1,0,1]=4 502 B12R1.233 O=C(O)CC1=C(C=C(C=C1)Br)I Z1269231484 [0,1,0,0,1,0|1,0,1]=4 503 B12R1.233 O=C(O)CC1=C(C=C(C=C1)Br)O Z1269204929 [0,1,0,0,1,0|0,0,1]=3 504 B12R1.233 O=C(O)CC1=C(C=C(C=C1)Cl)Br Z1187934893 [0,1,0,0,1,0|1,0,1]=4 505 B12R1.233 O=C(O)CC1=C(C=C(C=C1)Cl)Cl Z104477206 [0,1,0,0,1,0|1,0,1]=4 506 B12R1.233 O=C(O)CC1=C(C=C(C=C1)F)Br Z285184632 [0,1,0,0,1,0|1,0,1]=4 507 B12R1.233 O=C(O)CC1=C(C=C(C=C1)F)Cl Z285184620 [0,1,0,0,1,0|1,0,1]=4 508 B12R1.233 O=C(O)CC1=C(C=C(C=C1)F)F Z362118706 [0,1,0,0,1,0|1,0,1]=4 509 B12R1.233 O=C(O)CC1=C(C=C(C=C1)O)Cl Z1198307592 [0,1,0,0,1,0|1,0,1]=4 510 B12R1.1009 CC1=C(C(=CC=C1)Cl)CC(=O)O Z1255430731 [0,1,0,0,1,0|1,0,1]=4 511 B12R1.1009 CC1=C(C(=CC=C1)F)CC(=O)O Z1255489762 [0,1,0,0,1,0|1,0,1]=4 512 B12R1.1009 CC1=CC=CC(=C1CC(=O)O)C Z1198167156 [0,1,0,0,1,0|1,0,1]=4 513 B12R1.1009 O=C(O)CC1=C(C=CC=C1Cl)Br Z1551916621 [0,1,0,0,1,0|1,0,1]=4 514 B12R1.1009 O=C(O)CC1=C(C=CC=C1Cl)Cl Z104478552 [0,1,0,0,1,0|1,0,1]=4 515 B12R1.1009 O=C(O)CC1=C(C=CC=C1F)Cl Z57044264 [0,1,0,0,1,0|1,0,1]=4 516 B12R1.1009 O=C(O)CC1=C(C=CC=C1F)F Z362118786 [0,1,0,0,1,0|1,0,1]=4 517 B14R1.96 COC1=C(C=CC=C1)NCCC(=O)O Z56813547 [0,1,0,0,0,1|0,0,2]=4 518 B14R1.96 COC1=C(C=CC=C1)OCCC(=O)O Z56843581 [0,1,0,0,0,1|0,0,2]=4 519 B14R1.160 CC1=C(C=CC=C1)C(=O)NCC(=O)O Z56983120 [0,1,0,0,0,1|1,0,1]=4 520 B14R1.160 NC1=C(C=CC=C1)C(=O)CCC(=O)O Z4561593840 [0,1,0,0,0,1|1,0,1]=4 521 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)Br Z838955710 [0,1,0,0,0,1|1,0,1]=4 522 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)Br Z56945486 [0,1,0,0,0,1|1,0,1]=4 523 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)Cl Z56827160 [0,1,0,0,0,1|1,0,1]=4 524 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)F Z56822248 [0,1,0,0,0,1|1,0,1]=4 525 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)I Z85887266 [0,1,0,0,0,1|1,0,1]=4 526 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)O Z3478749045 [0,1,0,0,0,1|0,0,1]=3 527 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=N1)O Z608480544 [0,1,0,0,0,1|1,0,1]=4 528 B14R1.161 C=C(COC1=C(C=CC=C1)I)C(=O)O Z1197868436 [0,1,0,0,0,1|1,0,1]=4 529 B14R1.337 O=C(O)CC(=O)NC1=C(C=CC=C1)O Z1262513035 [0,1,0,0,0,1|0,0,1]=3 530 B14R1.482 CCOC1=C(C=CC=C1)/C=C/C(=O)O Z2942852523 [0,2,0,0,0,0|0,0,0]=2 531 B14R1.482 CCOC1=C(C=CC=C1)CCC(=O)O Z89270870 [0,2,0,0,0,0|0,0,2]=4 532 B14R1.482 CCOC1=C(C=CC=C1)OCC(=O)O Z56824183 [0,2,0,0,0,0|1,0,1]=4 533 B14R1.840 COC1=C(C=CC=C1)/C(=C/C(=O)O)/C Z352748216 [0,2,0,0,0,0|0,0,0]=2 534 B14R1.840 COC1=C(C=CC=C1)C(C)CC(=O)O Z352783114 [0,2,0,0,0,0|0,0,2]=4 535 B14R1.863 COC(=O)CSC1=C(C=CC=C1)CO Z1157828694 [0,2,0,0,0,0|1,0,1]=4 536 B14R1.1600 COC1=C(C=CC(=C1)Br)CCC(=O)O Z1269243933 [0,2,0,0,0,0|0,0,2]=4 537 B14R1.1600 COC1=C(C=CC(=C1)C)OCC(=O)O Z56917414 [0,2,0,0,0,0|1,0,1]=4 538 B14R1.1865 COC1=C(C=C(C=C1)Br)/C=C/C(=O)O Z2312258768 [0,2,0,0,0,0|0,0,0]=2 539 B14R1.1865 COC1=C(C=C(C=C1)Br)CCC(=O)O Z823820116 [0,2,0,0,0,0|0,0,2]=4 540 B14R1.1865 COC1=C(C=C(C=C1)C)/C=C/C(=O)O Z2312400653 [0,2,0,0,0,0|0,0,0]=2 541 B14R1.1865 COC1=C(C=C(C=C1)Cl)/C=C/C(=O)O Z2942852108 [0,2,0,0,0,0|0,0,0]=2 542 B14R1.1865 COC1=C(C=C(C=C1)Cl)NCC(=O)O Z359506144 [0,2,0,0,0,0|1,0,1]=4 543 B14R1.3135 COC1=C(C=CC=C1)OC(C)C(=O)O Z57825370 [0,2,0,0,0,0|1,0,1]=4 544 B14R1.4522 O=C(O)/C=C/C1=C(C=CC=C1)[N+](=O)[O-] Z2942852653 [0,2,0,0,0,0|0,0,1]=3 545 B14R1.4522 O=C(O)CSC1=C(C=CC=C1)C(=O)O Z149170932 [0,2,0,0,0,0|1,0,1]=4 546 B14R1.15 COC(=O)/C=C/C1=C(C(=CC=C1)Cl)Cl Z2681277170 [0,2,0,0,0,0|1,0,0]=3 547 B14R1.6054 O=C(O)/C=C/C1=C(C(=CC=C1F)Cl)F Z1269243680 [0,2,0,0,0,0|1,0,0]=3 548 B14R1.103 COC1=CC(=C(C=C1)/C=C/C(=O)O)C Z3033961334 [0,2,0,0,0,0|1,0,0]=3 549 B14R1.727 CNC(=O)/C=C/C1=C(C=C(C=C1)C)C Z240178054 [0,2,0,0,0,0|2,0,0]=4 550 B14R1.6036 CC1=CC(=C(C=C1/C=C/C(=O)O)C)C Z363999626 [0,2,0,0,0,0|1,0,0]=3 551 B14R1.6048 C/C(=C\C(=O)O)/C1=C(C=C(C=C1)F)F Z352748628 [0,2,0,0,0,0|1,0,0]=3 552 B14R1.550 N#C/C(=C\C1=C(C=CC=C1)Br)/C(=O)N Z44298642 [0,2,0,0,0,0|2,0,0]=4 553 B14R1.550 N#C/C(=C\C1=C(C=CC=C1)Cl)/C(=O)N Z44298549 [0,2,0,0,0,0|2,0,0]=4 554 B14R1.1007 COC(=O)C(N)CC1=C(C=CC=C1)O Z2418413784 [0,2,0,0,0,0|0,0,2]=4 555 B14R1.5971 C/C(=C\C1=C(C=CC=C1Cl)Cl)/C(=O)O Z1695926071 [0,2,0,0,0,0|1,0,0]=3 556 B14R1.5971 CC1=CC=CC(=C1NC(=O)C(=O)O)C Z424779524 [0,2,0,0,0,0|2,0,0]=4 557 B14R1.598 CCOC(=O)COC1=C(C=CC=C1)O Z56788108 [0,2,0,0,0,0|1,0,1]=4 558 B14R1.820 CNC(=O)/C=C/C1=C(C=CC(=C1)Br)F Z30271585 [0,2,0,0,0,0|2,0,0]=4 559 B12R1.232 CC1=C(C=C(C(=C1)O)O)C(=O)O Z1255427529 [0,0,1,1,0,0|1,0,1]=4 560 B12R1.232 O=C(O)C1=C(C=C(C(=C1)Br)O)F Z1939443092 [0,0,1,1,0,0|2,0,0]=4 561 B12R1.56 CC1=C(C=C(C=C1)C(=O)O)C=O Z1262560013 [0,0,1,1,0,0|2,0,0]=4 562 B12R1.56 CCC1=C(C=CC(=C1)C(=O)O)O Z1255420244 [0,0,1,1,0,0|0,0,2]=4 563 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)O Z381356666 [0,0,1,1,0,0|1,0,1]=4 564 B12R1.56 O=C(O)C1=CC(=C(C=C1)O)CO Z1262519174 [0,0,1,1,0,0|1,0,1]=4 565 B12R1.56 O=CC1=C(C=CC(=C1)C(=O)O)Br Z1486034958 [0,0,1,1,0,0|2,0,0]=4 566 B12R1.56 O=CC1=C(C=CC(=C1)C(=O)O)Cl Z1649775095 [0,0,1,1,0,0|2,0,0]=4 567 B12R1.56 O=CC1=C(C=CC(=C1)C(=O)O)F Z1198168885 [0,0,1,1,0,0|2,0,0]=4 568 B12R1.56 O=CC1=C(C=CC(=C1)C(=O)O)O Z1255434815 [0,0,1,1,0,0|1,0,0]=3 569 B12R1.258 CC(=O)C1=CC(=CC=C1)C(=O)O Z1203161684 [0,0,1,1,0,0|0,0,2]=4 570 B12R1.258 NC(=O)C1=CC(=CC=C1)C(=O)O Z295886826 [0,0,1,1,0,0|1,0,1]=4 571 B12R1.258 NC(=S)C1=CC(=CC=C1)C(=O)O Z404889430 [0,0,1,1,0,0|1,1,0]=4 572 B12R1.258 O=C(O)C1=CC(=NC=C1)C(=O)O Z1236003425 [0,0,1,1,0,0|2,0,0]=4 573 B12R1.258 O=C(O)C1=CC=CC(=C1)B(O)O Z1203161777 [0,0,1,1,0,0|2,0,0]=4 574 B12R1.258 O=C(O)C1=CC=CC(=C1)C(=O)O Z104475158 [0,0,1,1,0,0|1,0,0]=3 575 B12R1.258 O=C(O)C1=CC=CC(=N1)C(=O)O Z57202012 [0,0,1,1,0,0|2,0,0]=4 576 B12R1.258 O=C(O)C1=CN=CC(=C1)C(=O)O Z275127642 [0,0,1,1,0,0|2,0,0]=4 577 B12R1.252 O=C(O)/C=C/SC1=CC=CC=C1 Z104378002 [0,0,1,1,0,0|2,0,0]=4 578 B12R1.255 O=C(O)/C=C/SCC1=CC=CO1 Z1357880798 [0,0,1,1,0,0|1,0,1]=4 579 B12R1.453 CC1=C(C=C(C=C1)C=O)C(=O)O Z1813092023 [0,0,1,1,0,0|0,0,2]=4 580 B12R1.453 O=C(O)C1=C(C=CC(=C1)CO)Cl Z1262523857 [0,0,1,1,0,0|1,0,1]=4 581 B12R1.453 O=CC1=CC(=C(C=C1)F)C(=O)O Z1201623086 [0,0,1,1,0,0|1,0,1]=4 582 B12R1.453 O=CC1=CC(=C(C=C1)O)C(=O)O Z1255430994 [0,0,1,1,0,0|1,0,1]=4 583 B12R2.24 BrC1=CC2=C(C=CC=C2)C=C1 Z166622678 [1,0,0,1,0,0|2,0,0]=4 584 B12R2.24 CC1=CC2=C(C=CC=C2)C=C1 Z104476894 [1,0,0,1,0,0|2,0,0]=4 585 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 Z56926563 [1,0,0,1,0,0|2,0,0]=4 586 B12R2.24 ClC1=CC2=C(C=CC=C2)C=C1 Z1255485910 [1,0,0,1,0,0|2,0,0]=4 587 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 Z104494980 [1,0,0,1,0,0|2,0,0]=4 588 B12R2.24 NC1=NC2=C(C=CC=C2)C=C1 Z56347237 [1,0,0,1,0,0|2,0,0]=4 589 B12R2.24 O=C1C=C2C=CC=CC2=CN1 Z1203731786 [1,0,0,1,0,0|2,0,0]=4 590 B12R2.24 O=C1C=CC2=C(N1)C=CC=C2 Z57473020 [1,0,0,1,0,0|1,0,0]=3 591 B12R2.24 O=C1C=CC2=C(N1)N=CC=C2 Z3235031491 [1,0,0,1,0,0|2,0,0]=4 592 B12R2.24 O=C1C=CC2=C(O1)C=CC=C2 Z57169486 [1,0,0,1,0,0|0,0,0]=2 593 B12R2.24 O=C1C=CN2C=CC=CC2=N1 Z2932603201 [1,0,0,1,0,0|2,0,0]=4 594 B12R2.24 O=C1C=NC2=C(N1)C=CC=C2 Z56824051 [1,0,0,1,0,0|2,0,0]=4 595 B12R2.24 O=C1CCC2=C(O1)C=CC=C2 Z586249466 [1,0,0,1,0,0|0,0,2]=4 596 B12R2.24 O=C1N=CC2=C(N1)C=CC=C2 Z1198176626 [1,0,0,1,0,0|2,0,0]=4 597 B12R2.24 O=C1NCC2=C(O1)C=CC=C2 Z1198723657 [1,0,0,1,0,0|1,0,1]=4 598 B12R2.24 OC1=CC2=C(C=C1)C=NC=C2 Z2753800586 [1,0,0,1,0,0|2,0,0]=4 599 B12R2.24 OC1=CC2=C(C=C1)N=CC=C2 Z759294450 [1,0,0,1,0,0|2,0,0]=4 600 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 Z57127515 [1,0,0,1,0,0|1,0,0]=3 601 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 Z1255419538 [1,0,0,1,0,0|2,0,0]=4 602 B12R2.24 OC1=CC2=C(C=CN=C2)C=C1 Z56928661 [1,0,0,1,0,0|2,0,0]=4 603 B12R2.24 SC1=NC2=C(C=CC=C2)C=C1 Z203045038 [1,0,0,1,0,0|1,1,0]=4 604 B12R2.32 N#CC1=CC2=C(O1)C=CC=C2 Z381355152 [1,0,0,1,0,0|1,0,1]=4 605 B12R2.32 O=CC1=CC2=C(N1)C=CC=C2 Z1203160203 [1,0,0,1,0,0|1,0,0]=3 606 B12R2.32 O=CC1=CC2=C(N1)C=CC=N2 Z1198177421 [1,0,0,1,0,0|2,0,0]=4 607 B12R2.32 O=CC1=CC2=C(N1)C=CN=C2 Z3305262316 [1,0,0,1,0,0|2,0,0]=4 608 B12R2.32 O=CC1=CC2=C(N1)N=CC=C2 Z1198177420 [1,0,0,1,0,0|2,0,0]=4 609 B12R2.32 O=CC1=CC2=C(O1)C=CC=C2 Z147641868 [1,0,0,1,0,0|0,0,0]=2 610 B12R2.32 O=CC1=CC2=C(O1)C=CC=N2 Z1198330026 [1,0,0,1,0,0|1,0,0]=3 611 B12R2.32 O=CC1=CC2=C(O1)C=CN=C2 Z1255417643 [1,0,0,1,0,0|1,0,0]=3 612 B12R2.32 O=CC1=CC2=C(O1)N=CC=C2 Z1255505540 [1,0,0,1,0,0|1,0,0]=3 613 B12R2.32 O=CC1=CC2=C(S1)C=CC=C2 Z1741961424 [1,0,0,1,0,0|0,1,0]=3 614 B12R2.32 O=CC1=CC2=C(S1)C=CC=N2 Z1216823029 [1,0,0,1,0,0|1,1,0]=4 615 B12R2.32 O=CC1=CC2=C(S1)C=NC=C2 Z1198309374 [1,0,0,1,0,0|1,1,0]=4 616 B12R2.32 O=CC1=CC2=C(S1)N=CC=C2 Z1160905957 [1,0,0,1,0,0|1,1,0]=4 617 B12R2.32 O=CC1=CN2C=CC=CC2=N1 Z622445034 [1,0,0,1,0,0|2,0,0]=4 618 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 Z57114985 [1,0,0,1,0,0|2,0,0]=4 619 B12R2.32 O=CC1=NC2=C(O1)C=CC=C2 Z1198162173 [1,0,0,1,0,0|1,0,0]=3 620 B12R2.32 O=CC1=NC2=C(S1)C=CC=C2 Z276151160 [1,0,0,1,0,0|1,1,0]=4 621 B12R2.32 O=CC1=NN2C=CC=CC2=C1 Z1171753365 [1,0,0,1,0,0|2,0,0]=4 622 B12R2.32 OCC1=CC2=C(O1)C=CC=C2 Z164677912 [1,0,0,1,0,0|0,0,1]=3 623 B12R2.32 OCC1=CC2=C(O1)C=CN=C2 Z1255452234 [1,0,0,1,0,0|1,0,1]=4 624 B12R2.32 OCC1=CC2=C(S1)C=CC=C2 Z816841922 [1,0,0,1,0,0|0,1,1]=4 625 B12R2.32 OCC1=NC2=C(O1)C=CC=C2 Z431953250 [1,0,0,1,0,0|1,0,1]=4 626 B12R2.196 O=C1CCC2=C(C=CC=C12)O Z203881856 [1,0,0,1,0,0|0,0,2]=4 627 B12R2.196 O=C1NCC2=C(C=CC=C12)O Z1741980680 [1,0,0,1,0,0|1,0,1]=4 628 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 Z104475342 [1,0,0,1,0,0|2,0,0]=4 629 B12R2.1081 ClC1=C2C=CC=CC2=CC=C1 Z104504716 [1,0,0,1,0,0|2,0,0]=4 630 B12R2.1081 FC1=C2C=CC=CC2=CC=C1 Z1162445957 [1,0,0,1,0,0|2,0,0]=4 631 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 Z381540734 [1,0,0,1,0,0|2,0,0]=4 632 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 Z57127984 [1,0,0,1,0,0|2,0,0]=4 633 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 Z56919160 [1,0,0,1,0,0|2,0,0]=4 634 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 Z104474036 [1,0,0,1,0,0|1,0,0]=3 635 B12R2.1081 OC1=C2C=CC=CC2=CN=C1 Z1198152661 [1,0,0,1,0,0|2,0,0]=4 636 B12R2.1081 OC1=C2C=CC=CC2=NC=C1 Z818727120 [1,0,0,1,0,0|2,0,0]=4 637 B12R2.1081 OC1=C2C=CC=NC2=NC=C1 Z1198181777 [1,0,0,1,0,0|2,0,0]=4 638 B12R2.1081 OC1=C2C=NC=CC2=CC=C1 Z5141131098 [1,0,0,1,0,0|2,0,0]=4 639 B12R2.1081 OC1=C2C=NC=NC2=CC=C1 Z1198155756 [1,0,0,1,0,0|2,0,0]=4 640 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 Z56926518 [1,0,0,1,0,0|2,0,0]=4 641 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 Z425439028 [1,0,0,1,0,0|1,0,1]=4 642 B12R2.202 NC1=NC2=C(O1)C=CC=C2O Z1258981820 [0,0,0,1,1,0|2,0,0]=4 643 B12R2.202 O=C1CC2=C(C=CC=C2N1)O Z1198161564 [0,0,0,1,1,0|1,0,1]=4 644 B12R2.202 O=C1NC2=C(C=CC=C2O1)Br Z1509211819 [0,0,0,1,1,0|2,0,0]=4 645 B12R2.202 O=C1NC2=CC=CC(=C2N1)O Z1504677969 [0,0,0,1,1,0|2,0,0]=4 646 B12R2.202 OC1=C2C=C(SC2=CC=C1)Br Z2582394723 [0,0,0,1,1,0|1,1,0]=4 647 B12R2.202 OC1=C2N=C(OC2=CC=C1)S Z3235037659 [0,0,0,1,1,0|1,1,0]=4 648 B12R2.202 OC1=CC=CC2=C1N=C(O2)O Z1322795564 [0,0,0,1,1,0|1,0,1]=4 649 B12R2.252 O=C(O)C1=CC2=C(N1)C=CO2 Z1198172211 [0,0,0,1,1,0|2,0,0]=4 650 B12R2.252 O=C(O)C1=CC2=C(N1)C=CS2 Z1162419603 [0,0,0,1,1,0|2,0,0]=4 651 B12R2.252 O=C(O)C1=CC2=C(N1)SC=C2 Z235000792 [0,0,0,1,1,0|2,0,0]=4 652 B12R2.252 O=C(O)C1=CC2=C(S1)C=CN2 Z235352827 [0,0,0,1,1,0|1,1,0]=4 653 B12R2.252 O=C(O)C1=CC2=C(S1)C=CO2 Z1227757230 [0,0,0,1,1,0|1,1,0]=4 654 B12R2.252 O=C(O)C1=CC2=C(S1)C=CS2 Z666140572 [0,0,0,1,1,0|1,1,0]=4 655 B12R2.252 O=C(O)C1=CC2=C(S1)SC=C2 Z1198150636 [0,0,0,1,1,0|1,1,0]=4 656 B14R2.256 CC1=C(C=CC=C1)C2=CSC(=O)N2 Z409413504 [0,0,0,1,0,1|2,0,0]=4 657 B14R2.256 NC1=NC(=CS1)C2=C(C=CC=C2)O Z276133814 [0,0,0,1,0,1|2,0,0]=4 658 B14R2.256 O=C1CC(=NN1)C2=C(C=CC=C2)O Z56174893 [0,0,0,1,0,1|2,0,0]=4 659 B14R2.256 O=C1NC(=CS1)C2=C(C=CC=C2)Br Z409413416 [0,0,0,1,0,1|2,0,0]=4 660 B14R2.256 O=C1NC(=CS1)C2=C(C=CC=C2)Cl Z409413426 [0,0,0,1,0,1|2,0,0]=4 661 B14R2.256 O=C1NC(=CS1)C2=C(C=CC=C2)F Z409413508 [0,0,0,1,0,1|2,0,0]=4 662 B14R2.768 O=C(O)CC1=CC2=C(C1)C=CC=C2 Z1262511318 [0,0,0,1,0,1|1,0,0]=3 663 B14R2.768 O=C(O)CC1=CC2=C(O1)C=CC=C2 Z235569554 [0,0,0,1,0,1|0,0,0]=2 664 B14R2.768 O=C(O)CC1=CC2=C(S1)C=CC=C2 Z1198265898 [0,0,0,1,0,1|0,1,0]=3 665 B14R2.768 O=C(O)CC1=NC2=C(S1)C=CC=C2 Z57055798 [0,0,0,1,0,1|0,1,1]=4 666 B14R2.768 O=C(O)CN1C=C2C=CC=CC2=N1 Z1083213968 [0,0,0,1,0,1|1,0,1]=4 667 B14R2.781 CC(=O)C1=CC2=C(C=CC=C2)C=C1 Z104476442 [0,0,0,1,0,1|2,0,0]=4 668 B14R2.781 CC(=O)C1=CC2=C(C=CC=C2)N=C1 Z608483202 [0,0,0,1,0,1|2,0,0]=4 669 B14R2.781 CC(=O)C1=NC2=C(C=CC=C2)C=C1 Z1098922431 [0,0,0,1,0,1|2,0,0]=4 670 B14R2.781 CC(=O)C1=NC=C2C=CC=CC2=C1 Z1198169433 [0,0,0,1,0,1|2,0,0]=4 671 B14R2.781 NC(=O)C1=CC2=C(C=CC=C2)C=C1 Z33546615 [0,0,0,1,0,1|2,0,0]=4 672 B14R2.781 NC(=O)C1=NC2=C(C=CC=C2)N=C1 Z135897472 [0,0,0,1,0,1|2,0,0]=4 673 B14R2.781 O=C(O)C1=CC2=C(C=C1)C=NC=C2 Z1198261891 [0,0,0,1,0,1|2,0,0]=4 674 B14R2.781 O=C(O)C1=CC2=C(C=C1)N=CC=C2 Z382700998 [0,0,0,1,0,1|2,0,0]=4 675 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)C=C1 Z104475600 [0,0,0,1,0,1|1,0,0]=3 676 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)N=C1 Z838909446 [0,0,0,1,0,1|1,0,0]=3 677 B14R2.781 O=C(O)C1=CC2=C(C=CC=N2)C=C1 Z1198148848 [0,0,0,1,0,1|2,0,0]=4 678 B14R2.781 O=C(O)C1=CC2=C(C=CN=C2)C=C1 Z1198279302 [0,0,0,1,0,1|2,0,0]=4 679 B14R2.781 O=C(O)C1=CC2=C(C=CN=C2)N=C1 Z1201623994 [0,0,0,1,0,1|2,0,0]=4 680 B14R2.781 O=C(O)C1=CC2=C(N=CC=C2)N=C1 Z1198168599 [0,0,0,1,0,1|2,0,0]=4 681 B14R2.781 O=C(O)C1=NC2=C(C=C1)C=NC=C2 Z1201619732 [0,0,0,1,0,1|2,0,0]=4 682 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)C=C1 Z104473458 [0,0,0,1,0,1|1,0,0]=3 683 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)N=N1 Z1198311707 [0,0,0,1,0,1|2,0,0]=4 684 B14R2.781 O=C(O)C1=NC2=C(C=CC=N2)C=C1 Z1192378572 [0,0,0,1,0,1|2,0,0]=4 685 B14R2.781 O=C(O)C1=NC2=C(C=CN=C2)C=C1 Z1198330967 [0,0,0,1,0,1|2,0,0]=4 686 B14R2.781 O=C(O)C1=NC=C2C=CC=CC2=C1 Z1198150075 [0,0,0,1,0,1|1,0,0]=3 687 B14R2.781 O=C(O)C1=NN=C2C=CC=CC2=C1 Z246671302 [0,0,0,1,0,1|2,0,0]=4 688 B14R2.781 O=C(O)C1CCC2=C(O1)C=CC=C2 Z1198148530 [0,0,0,1,0,1|0,0,2]=4 689 B14R2.781 O=C(O)C1CNC2=C(O1)C=CC=C2 Z90669210 [0,0,0,1,0,1|0,0,2]=4 690 B14R2.781 O=C(O)C1COC2=C(O1)C=CC=C2 Z56839652 [0,0,0,1,0,1|0,0,2]=4 691 B14R2.781 O=C(O)C1CSC2=C(O1)C=CC=C2 Z916847046 [0,0,0,1,0,1|0,0,2]=4 692 B14R2.8032 CC(=O)C1=CNC2=C1C=CC=C2Br Z1322792947 [0,0,0,1,0,1|2,0,0]=4 693 B14R2.8032 CC(=O)C1=CNC2=C1C=CC=C2C Z1198233123 [0,0,0,1,0,1|2,0,0]=4 694 B14R2.8032 CC(=O)C1=COC2=C1C=CC=C2C Z1255424571 [0,0,0,1,0,1|2,0,0]=4 695 B14R2.8032 CC1=C2OC=C(C2=CC=C1)C(=O)O Z1255381806 [0,0,0,1,0,1|1,0,0]=3 696 B14R2.8032 CC1=CC=CC2=C(C=NN12)C(=O)O Z1255405265 [0,0,0,1,0,1|2,0,0]=4 697 B14R2.8032 CC1=CC=CN2C1=NC=C2C(=O)O Z3691016324 [0,0,0,1,0,1|2,0,0]=4 698 B14R2.8032 O=C(O)C1=CN=C2N1C=CC=C2Br Z1269128095 [0,0,0,1,0,1|2,0,0]=4 699 B14R2.8032 O=C(O)C1=CNC2=C1C=CC=C2Br Z1143220556 [0,0,0,1,0,1|1,0,0]=3 700 B14R2.8032 O=C(O)C1=CNC2=C1C=CC=C2F Z1198266509 [0,0,0,1,0,1|1,0,0]=3 701 B14R2.8032 O=C(O)C1=COC2=C1C=CC=C2F Z1267805638 [0,0,0,1,0,1|1,0,0]=3 702 B14R2.8032 O=C(O)C1=CSC2=C1C=CC=C2Cl Z3242859734 [0,0,0,1,0,1|1,0,0]=3 703 B14R2.8032 O=C(O)C1=CSC2=C1N=CC=C2O Z5229245463 [0,0,0,1,0,1|1,0,0]=3 704 B14R2.8032 O=C(O)C1=NOC2=C1C=CC=C2F Z1262557115 [0,0,0,1,0,1|2,0,0]=4 705 B14R2.2 NC(=O)CC1=NOC2=C1C=CC=C2 Z101186134 [0,1,0,1,0,0|1,0,1]=4 706 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 Z56913182 [0,1,0,1,0,0|1,0,1]=4 707 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 Z119989454 [0,1,0,1,0,0|0,0,1]=3 708 B14R2.2 O=C(O)CC1=CSC2=C1C=CC=C2 Z432090858 [0,1,0,1,0,0|0,1,1]=4 709 B14R2.2 O=C(O)CC1=NNC2=C1C=CC=C2 Z335442472 [0,1,0,1,0,0|1,0,1]=4 710 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 Z99600464 [0,1,0,1,0,0|0,0,1]=3 711 B14R2.2 O=C(O)CC1=NSC2=C1C=CC=C2 Z1262511380 [0,1,0,1,0,0|0,1,1]=4 712 B14R2.2 O=C(O)CC1COC2=C1C=CC=C2 Z1198234596 [0,1,0,1,0,0|0,0,2]=4 713 B14R2.52 O=C1COC2=C(C=CC=C2)C(=O)N1 Z335800086 [0,1,0,1,0,0|2,0,0]=4 714 B14R2.450 CC(=O)C1=C(C2=C(O1)C=CC=C2)C Z56346921 [0,1,0,1,0,0|1,0,0]=3 715 B14R2.450 CC(=O)C1=C(C2=C(O1)C=CC=C2)N Z56347415 [0,1,0,1,0,0|1,0,0]=3 716 B14R2.450 CC(=O)C1=C(C2=C(S1)C=CC=C2)C Z118256158 [0,1,0,1,0,0|1,1,0]=4 717 B14R2.450 CC1=C(OC2=C1C=CC=C2)C(=O)O Z56174748 [0,1,0,1,0,0|0,0,0]=2 718 B14R2.450 CC1=C(OC2=C1C=CC=C2)C(C)O Z445987528 [0,1,0,1,0,0|1,0,1]=4 719 B14R2.450 CC1=C(SC2=C1C=CC=C2)C(=O)O Z108595136 [0,1,0,1,0,0|0,1,0]=3 720 B14R2.450 CC1=C2C=CC=CN2N=C1C(=O)O Z1509055128 [0,1,0,1,0,0|2,0,0]=4 721 B14R2.450 CC1C2=C(C=CC=C2)OC1C(=O)O Z372839354 [0,1,0,1,0,0|0,0,2]=4 722 B14R2.450 CN1C(=CC2=C1C=CC=C2)C(=O)O Z57204959 [0,1,0,1,0,0|1,0,0]=3 723 B14R2.450 C[C@H]1C2=C(C=CC=C2)O[C@H]1C(=O)O Z4517782541 [0,1,0,1,0,0|0,0,2]=4 724 B14R2.450 NC(=O)C1=C(C2=C(N1)C=CC=C2)Br Z741559378 [0,1,0,1,0,0|2,0,0]=4 725 B14R2.450 NC(=O)C1=C(C2=C(N1)C=CC=C2)Cl Z458902276 [0,1,0,1,0,0|2,0,0]=4 726 B14R2.450 NC(=O)C1=C(C2=C(S1)C=CC=C2)N Z1255488178 [0,1,0,1,0,0|1,1,0]=4 727 B14R2.450 NC1=C(SC2=C1C=CC=N2)C(=O)O Z274771330 [0,1,0,1,0,0|1,1,0]=4 728 B14R2.450 NC1=C(SC2=C1N=CC=C2)C(=O)O Z1198342553 [0,1,0,1,0,0|1,1,0]=4 729 B14R2.450 O=C(Cl)C1=C(C2=C(S1)C=CC=C2)Cl Z56853844 [0,1,0,1,0,0|1,1,0]=4 730 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CC=C2)Br Z56796061 [0,1,0,1,0,0|1,0,0]=3 731 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CC=C2)Cl Z366436672 [0,1,0,1,0,0|1,0,0]=3 732 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CC=C2)I Z1269193943 [0,1,0,1,0,0|1,0,0]=3 733 B14R2.450 O=C(O)C1=C(C2=C(O1)C=CC=C2)Br Z1681366744 [0,1,0,1,0,0|0,0,0]=2 734 B14R2.450 O=C(O)C1=C(C2=C(O1)C=CC=C2)Cl Z1262529840 [0,1,0,1,0,0|0,0,0]=2 735 B14R2.450 O=C(O)C1=C(C2=C(S1)C=CC=C2)Br Z1269130056 [0,1,0,1,0,0|0,1,0]=3 736 B14R2.450 O=C(O)C1=C(C2=C(S1)C=CC=C2)Cl Z56899077 [0,1,0,1,0,0|0,1,0]=3 737 B14R2.450 O=C(O)C1=C(C2=C(S1)C=CC=N2)Br Z1725968045 [0,1,0,1,0,0|1,1,0]=4 738 B14R2.450 O=C(O)C1=C(C2=C(S1)N=CC=C2)Cl Z1269181488 [0,1,0,1,0,0|1,1,0]=4 739 B14R2.450 O=C(O)C1=CC2=C(C1O)C=CC=C2 Z1262524053 [0,1,0,1,0,0|0,0,0]=2 740 B14R2.1073 COC1=C2C=CC(=NC2=CC=C1)C Z1258981800 [0,1,0,1,0,0|2,0,0]=4 741 B14R2.1073 COC1=C2C=CC(=O)NC2=CC=C1 Z1255391795 [0,1,0,1,0,0|1,0,0]=3 742 B14R2.1073 COC1=C2N=CC(=CC2=CC=C1)O Z1255427057 [0,1,0,1,0,0|2,0,0]=4 743 B14R2.1073 COC1=C2OC=C(CC2=CC=C1)O Z1198269535 [0,1,0,1,0,0|2,0,0]=4 744 B14R2.1073 N#CC1=CC=CC2=C1C=CC(=C2)O Z1255403780 [0,1,0,1,0,0|2,0,0]=4 745 B14R2.7969 CC(=O)C1=CC2=C(N1)C=CC=C2Br Z1416196410 [0,1,0,1,0,0|2,0,0]=4 746 B14R2.7969 CC1=C2C=C(NC2=CC=C1)C(=O)O Z119989626 [0,1,0,1,0,0|1,0,0]=3 747 B14R2.7969 CC1=C2C=C(OC2=CC=C1)C(=O)O Z1262514439 [0,1,0,1,0,0|0,0,0]=2 748 B14R2.7969 CC1=C2CC(OC2=CC=C1)C(=O)O Z1262544184 [0,1,0,1,0,0|0,0,2]=4 749 B14R2.7969 CC1=C2N=C(OC2=CC=C1)C(=O)[O-] Z4497264058 [0,1,0,1,0,0|1,0,1]=4 750 B14R2.7969 CC1=C2NC(=CC2=CC=C1)C(=O)O Z285234008 [0,1,0,1,0,0|1,0,0]=3 751 B14R2.7969 CC1=C2OC(=CC2=CC=C1)C(=O)O Z406682014 [0,1,0,1,0,0|0,0,0]=2 752 B14R2.7969 CC1=C2OC(CC2=CC=C1)C(=O)O Z1262521699 [0,1,0,1,0,0|0,0,2]=4 753 B14R2.7969 CC1=C2SC(=CC2=CC=C1)C(=O)O Z1504672143 [0,1,0,1,0,0|0,1,0]=3 754 B14R2.7969 CC1=CC=CC2=CC(=NN12)C(=O)O Z1258976905 [0,1,0,1,0,0|2,0,0]=4 755 B14R2.7969 CC1=CC=CN2C1=CC(=N2)C(=O)O Z1258976902 [0,1,0,1,0,0|2,0,0]=4 756 B14R2.7969 CC1=CC=CN2C1=NC(=C2)C(=O)O Z2311219003 [0,1,0,1,0,0|2,0,0]=4 757 B14R2.7969 NC(=O)C1=CC2=C(N1)C=CC=C2Br Z997948450 [0,1,0,1,0,0|2,0,0]=4 758 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)Br Z431558930 [0,1,0,1,0,0|1,0,0]=3 759 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)F Z285234022 [0,1,0,1,0,0|1,0,0]=3 760 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)O Z1201622528 [0,1,0,1,0,0|1,0,0]=3 761 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CC=C2Cl Z119989536 [0,1,0,1,0,0|1,0,0]=3 762 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CC=C2F Z119989618 [0,1,0,1,0,0|1,0,0]=3 763 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CC=C2I Z1269151806 [0,1,0,1,0,0|1,0,0]=3 764 B14R2.7969 O=C(O)C1=CC2=C(O1)C(=CC=C2)Br Z393620108 [0,1,0,1,0,0|0,0,0]=2 765 B14R2.7969 O=C(O)C1=CC2=C(O1)C(=CC=C2)Cl Z406682018 [0,1,0,1,0,0|0,0,0]=2 766 B14R2.7969 O=C(O)C1=CC2=C(O1)C(=CC=C2)F Z406682016 [0,1,0,1,0,0|0,0,0]=2 767 B14R2.7969 O=C(O)C1=CC2=C(S1)C(=CC=C2)Cl Z1269194521 [0,1,0,1,0,0|0,1,0]=3 768 B14R2.7969 O=C(O)C1=CC2=C(S1)C(=CC=C2)F Z1201624111 [0,1,0,1,0,0|0,1,0]=3 769 B14R2.7969 O=C(O)C1=CC2=C(S1)C(=CC=N2)Cl Z1269202914 [0,1,0,1,0,0|1,1,0]=4 770 B14R2.7969 O=C(O)C1=CC2=C(S1)C=CC=C2Br Z1269230239 [0,1,0,1,0,0|0,1,0]=3 771 B14R2.7969 O=C(O)C1=CC2=C(S1)C=CC=C2Cl Z90662195 [0,1,0,1,0,0|0,1,0]=3 772 B14R2.7969 O=C(O)C1=CC2=C(S1)C=CC=C2F Z57036343 [0,1,0,1,0,0|0,1,0]=3 773 B14R2.7969 O=C(O)C1=CC2=C(S1)C=NC=C2Cl Z1269153683 [0,1,0,1,0,0|1,1,0]=4 774 B14R2.7969 O=C(O)C1=CN2C(=CC=CC2=N1)Cl Z1255435666 [0,1,0,1,0,0|2,0,0]=4 775 B14R2.7969 O=C(O)C1=CN2C=CC=C(C2=N1)Br Z1269239627 [0,1,0,1,0,0|2,0,0]=4 776 B14R2.7969 O=C(O)C1=CN2C=CC=C(C2=N1)F Z1198268628 [0,1,0,1,0,0|2,0,0]=4 777 B14R2.7969 O=C(O)C1=NN2C=CC=C(C2=C1)Br Z1269127788 [0,1,0,1,0,0|2,0,0]=4 778 B14R2.7969 O=C(O)C1=NN2C=CC=C(C2=C1)Cl Z2932596537 [0,1,0,1,0,0|2,0,0]=4 779 B14R2.7969 O=C(O)C1CC2=C(C=CC=C2O1)F Z1813140041 [0,1,0,1,0,0|0,0,2]=4 780 B14R2.7969 O=C(O)C1CC2=C(O1)C(=CC=C2)F Z1259128059 [0,1,0,1,0,0|0,0,2]=4 781 B14R2.7969 OB(O)C1=CC2=C(O1)C(=CC=C2)F Z1742195751 [0,1,0,1,0,0|1,0,1]=4 782 B14R2.29369 CC1=C(C2=C(C=C1)NC(=O)C=C2)Br Z1486034943 [0,1,0,1,0,0|2,0,0]=4 783 B14R2.3129 NS(=O)(=O)C1=CC2=C(O1)C=CC=C2 Z1378432729 [0,1,0,1,0,0|1,0,1]=4 784 B14R2.3129 O=S(=O)(Cl)C1=CC2=C(O1)C=CC=C2 Z1203132706 [0,1,0,1,0,0|1,0,1]=4 785 B14R2.4529 CC(=O)C1=CC2=C(O1)C=C(C=C2)C Z1198335259 [0,1,0,1,0,0|1,0,0]=3 786 B14R2.4529 CC(=O)C1=CC2=C(O1)C=CC(=C2)Br Z56347064 [0,1,0,1,0,0|1,0,0]=3 787 B14R2.4529 CC(=O)C1=CC2=C(O1)C=CC(=C2)Cl Z56347065 [0,1,0,1,0,0|1,0,0]=3 788 B14R2.4529 CC(=O)C1=CC2=C(O1)C=CC(=N2)C Z1312219045 [0,1,0,1,0,0|2,0,0]=4 789 B14R2.4529 CC(=O)C1=CC2=C(S1)C=CC(=C2)O Z1513833562 [0,1,0,1,0,0|1,1,0]=4 790 B14R2.4529 CC(O)C1=CC2=C(O1)C=CC(=C2)Br Z228586348 [0,1,0,1,0,0|1,0,1]=4 791 B14R2.4529 CC1=CC2=C(C=C1)C=C(N2)C(=O)N Z319647978 [0,1,0,1,0,0|2,0,0]=4 792 B14R2.4529 CC1=CC2=C(C=C1)C=C(N2)C(=O)O Z119989628 [0,1,0,1,0,0|1,0,0]=3 793 B14R2.4529 CC1=CC2=C(C=C1)NC(=C2)C(=O)N Z300502500 [0,1,0,1,0,0|2,0,0]=4 794 B14R2.4529 CC1=CC2=C(C=C1)NC(=C2)C(=O)O Z235352033 [0,1,0,1,0,0|1,0,0]=3 795 B14R2.4529 CC1=CC2=C(C=C1)OC(=C2)C(=O)O Z274568060 [0,1,0,1,0,0|0,0,0]=2 796 B14R2.4529 CC1=CC2=C(C=C1)SC(=C2)C(=O)O Z1201623026 [0,1,0,1,0,0|0,1,0]=3 797 B14R2.4529 CC1=CC2=NC(=CN2C=C1)C(=O)O Z89283367 [0,1,0,1,0,0|2,0,0]=4 798 B14R2.4529 CC1=CN2C=C(C=C2C=C1)C(=O)O Z1262530890 [0,1,0,1,0,0|2,0,0]=4 799 B14R2.4529 CC1=CN2C=C(N=C2C=C1)C(=O)O Z2681277060 [0,1,0,1,0,0|2,0,0]=4 800 B14R2.4529 CC1=NC2=C(C=C1)OC(=C2)C(=O)O Z1105173228 [0,1,0,1,0,0|1,0,0]=3 801 B14R2.4529 NC(=O)C1=CC2=C(N1)C=CC(=C2)Br Z319647992 [0,1,0,1,0,0|2,0,0]=4 802 B14R2.4529 NC(=O)C1=CC2=C(N1)C=CC(=C2)Cl Z300502560 [0,1,0,1,0,0|2,0,0]=4 803 B14R2.4529 NC(=O)C1=CC2=C(N1)C=CC(=C2)F Z57205269 [0,1,0,1,0,0|2,0,0]=4 804 B14R2.4529 NC(=O)C1=CC2=C(N1)C=CC(=C2)N Z490343142 [0,1,0,1,0,0|2,0,0]=4 805 B14R2.4529 NC(=O)C1=CC2=C(O1)C=CC(=C2)N Z426041490 [0,1,0,1,0,0|1,0,0]=3 806 B14R2.4529 NC(=O)C1=NC2=C(O1)C=CC(=C2)N Z2418545965 [0,1,0,1,0,0|2,0,0]=4 807 B14R2.4529 NC(=O)C1=NC2=C(O1)C=CC(=C2)O Z2311082108 [0,1,0,1,0,0|2,0,0]=4 808 B14R2.4529 NC1=CC2=C(C=C1)NC(=C2)C(=O)O Z1198179704 [0,1,0,1,0,0|1,0,0]=3 809 B14R2.4529 NC1=CC2=C(C=C1)OC(=C2)C(=O)O Z426041472 [0,1,0,1,0,0|0,0,0]=2 810 B14R2.4529 NC1=CC2=C(C=C1)SC(=C2)C(=O)O Z406715302 [0,1,0,1,0,0|0,1,0]=3 811 B14R2.4529 NC1=CC2=NC(=CN2C=C1)C(=O)O Z2471612723 [0,1,0,1,0,0|2,0,0]=4 812 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)Br Z119989542 [0,1,0,1,0,0|1,0,0]=3 813 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)Cl Z119990438 [0,1,0,1,0,0|1,0,0]=3 814 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)F Z119989546 [0,1,0,1,0,0|1,0,0]=3 815 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)I Z1269156950 [0,1,0,1,0,0|1,0,0]=3 816 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)Br Z285234024 [0,1,0,1,0,0|1,0,0]=3 817 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)Cl Z235363065 [0,1,0,1,0,0|1,0,0]=3 818 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)F Z235348085 [0,1,0,1,0,0|1,0,0]=3 819 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)I Z1269156688 [0,1,0,1,0,0|1,0,0]=3 820 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)O Z2894427530 [0,1,0,1,0,0|1,0,0]=3 821 B14R2.4529 O=C(O)C1=CC2=C(N1)N=CC(=C2)Cl Z1198235615 [0,1,0,1,0,0|2,0,0]=4 822 B14R2.4529 O=C(O)C1=CC2=C(O1)C=C(C=C2)Cl Z1262517550 [0,1,0,1,0,0|0,0,0]=2 823 B14R2.4529 O=C(O)C1=CC2=C(O1)C=CC(=C2)Br Z111570846 [0,1,0,1,0,0|0,0,0]=2 824 B14R2.4529 O=C(O)C1=CC2=C(O1)C=CC(=C2)Cl Z104341200 [0,1,0,1,0,0|0,0,0]=2 825 B14R2.4529 O=C(O)C1=CC2=C(O1)C=CC(=C2)F Z979493270 [0,1,0,1,0,0|0,0,0]=2 826 B14R2.4529 O=C(O)C1=CC2=C(S1)C=C(C=C2)Cl Z1741972044 [0,1,0,1,0,0|0,1,0]=3 827 B14R2.4529 O=C(O)C1=CC2=C(S1)C=C(C=C2)F Z90121766 [0,1,0,1,0,0|0,1,0]=3 828 B14R2.4529 O=C(O)C1=CC2=C(S1)C=CC(=C2)Br Z1269202680 [0,1,0,1,0,0|0,1,0]=3 829 B14R2.4529 O=C(O)C1=CC2=C(S1)C=CC(=C2)Cl Z1269192627 [0,1,0,1,0,0|0,1,0]=3 830 B14R2.4529 O=C(O)C1=CC2=C(S1)C=CC(=C2)F Z90663383 [0,1,0,1,0,0|0,1,0]=3 831 B14R2.4529 O=C(O)C1=CC2=C(S1)N=C(C=C2)O Z2511836887 [0,1,0,1,0,0|1,1,0]=4 832 B14R2.4529 O=C(O)C1=CC2=C(S1)N=CC(=C2)Br Z1269209487 [0,1,0,1,0,0|1,1,0]=4 833 B14R2.4529 O=C(O)C1=CN2C=C(C=CC2=C1)Br Z1416165315 [0,1,0,1,0,0|2,0,0]=4 834 B14R2.4529 O=C(O)C1=CN2C=C(C=CC2=C1)Cl Z1551916980 [0,1,0,1,0,0|2,0,0]=4 835 B14R2.4529 O=C(O)C1=CN2C=CC(=CC2=C1)Cl Z1551936055 [0,1,0,1,0,0|2,0,0]=4 836 B14R2.4529 O=C(O)C1=CN2C=CC(=CC2=N1)Br Z1269131353 [0,1,0,1,0,0|2,0,0]=4 837 B14R2.4529 O=C(O)C1=CN2C=CC(=CC2=N1)F Z1198172907 [0,1,0,1,0,0|2,0,0]=4 838 B14R2.4529 O=C(O)C1=CN2C=CC(=CC2=N1)I Z4970052843 [0,1,0,1,0,0|2,0,0]=4 839 B14R2.4529 O=C(O)C1=NN2C=C(C=CC2=C1)Br Z1269230585 [0,1,0,1,0,0|2,0,0]=4 840 B14R2.4529 O=C(O)C1=NN2C=CC(=CC2=C1)Cl Z1486023577 [0,1,0,1,0,0|2,0,0]=4 841 B14R2.4529 O=C(O)C1CC2=C(O1)C=C(C=C2)Br Z2751941707 [0,1,0,1,0,0|0,0,2]=4 842 B14R2.4529 O=C(O)C1CC2=C(O1)C=CC(=C2)Br Z1269223909 [0,1,0,1,0,0|0,0,2]=4 843 B14R2.4529 O=C(O)C1CC2=C(O1)C=CC(=C2)Cl Z104341198 [0,1,0,1,0,0|0,0,2]=4 844 B14R2.4529 O=C([O-])C1=NC2=C(O1)C=CC(=C2)F Z3786485914 [0,1,0,1,0,0|1,0,1]=4 845 B14R2.4529 OB(O)C1=CC2=C(O1)C=C(C=C2)Cl Z3271145247 [0,1,0,1,0,0|1,0,1]=4 846 B14R2.4529 OB(O)C1=CC2=C(O1)C=C(C=C2)F Z1862025227 [0,1,0,1,0,0|1,0,1]=4 847 B14R2.29365 CC1=NC2=C(C=CC(=C2)O)C(=C1)O Z1513809269 [0,1,0,1,0,0|2,0,0]=4 848 B14R2.29365 O=C1C=CC2=C(N1)C=C(C=C2Cl)Cl Z1209414441 [0,1,0,1,0,0|2,0,0]=4 849 B14R2.28472 OC1=C2C=C(C(=CC2=CC=C1)Cl)Cl Z1269186543 [0,1,0,1,0,0|2,0,0]=4 850 B14R2.972 C/C(=N\O)/C1=CC2=C(O1)C=CC=C2 Z49568632 [0,1,0,1,0,0|1,0,0]=3 851 B14R2.972 CNC(=O)C1=CC2=C(N1)C=CC=C2 Z100643366 [0,1,0,1,0,0|2,0,0]=4 852 B14R2.972 CNC(=O)C1=CC2=C(O1)C=CC=C2 Z32016592 [0,1,0,1,0,0|1,0,0]=3 853 B14R2.972 CNC(=O)C1=CC2=C(S1)C=CC=C2 Z135505244 [0,1,0,1,0,0|1,1,0]=4 854 B14R2.972 COC(=O)C1=CC2=C(N1)C=CC=C2 Z17755623 [0,1,0,1,0,0|1,0,0]=3 855 B14R2.972 COC(=O)C1=CC2=C(N1)C=CN=C2 Z1198342212 [0,1,0,1,0,0|2,0,0]=4 856 B14R2.972 COC(=O)C1=CC2=C(O1)C=CC=C2 Z15842101 [0,1,0,1,0,0|0,0,0]=2 857 B14R2.972 COC(=O)C1=CC2=C(S1)C=NC=C2 Z1322795864 [0,1,0,1,0,0|1,1,0]=4 858 B14R2.972 COC(=O)C1=NC2=C(N1)C=CC=C2 Z276956278 [0,1,0,1,0,0|2,0,0]=4 859 B14R2.972 COC(=O)C1=NC2=C(O1)C=CC=C2 Z1198221054 [0,1,0,1,0,0|1,0,0]=3 860 B14R2.972 NCC(=O)C1=CC2=C(S1)C=CC=C2 Z2739947537 [0,1,0,1,0,0|1,1,0]=4 861 B14R2.972 NNC(=O)C1=CC2=C(O1)C=CC=C2 Z58982625 [0,1,0,1,0,0|1,0,0]=3 862 B14R2.972 O=C(CBr)C1=CC2=C(O1)C=CC=C2 Z104341498 [0,1,0,1,0,0|1,0,0]=3 863 B14R2.972 O=C(CCl)C1=CC2=C(N1)C=CC=C2 Z57205001 [0,1,0,1,0,0|2,0,0]=4 864 B14R2.1801 COC1=CC2=C(C=C1)C(=CC=N2)O Z381338442 [0,1,0,1,0,0|2,0,0]=4 865 B14R2.1801 O=CC1=CC2=CC=CC(=C2C=C1)Br Z1269203166 [0,1,0,1,0,0|2,0,0]=4 866 B14R2.1801 O=CC1=NC2=CC=CC(=C2C=C1)Br Z1269203235 [0,1,0,1,0,0|2,0,0]=4 867 B14R2.8038 CN1C(=O)C=CC2=C1C=CC=C2N Z1255357431 [0,1,0,1,0,0|2,0,0]=4 868 B14R2.8038 OC1=C2C=CC(=C(C2=CC=C1)Cl)Cl Z1335745461 [0,1,0,1,0,0|2,0,0]=4 869 B14R2.8751 O=C1C=CC2=C(C=CC(=C2N1)Br)Cl Z1436573018 [0,1,0,1,0,0|2,0,0]=4 870 B14R2.8751 O=C1C=CC2=C(C=CC(=C2N1)Cl)Cl Z1209414443 [0,1,0,1,0,0|2,0,0]=4 871 B14R2.8751 O=C1C=CC2=C(C=CC(=C2N1)F)Br Z1209414504 [0,1,0,1,0,0|2,0,0]=4 872 B14R2.8751 O=C1C=CC2=C(C=CC(=C2N1)O)Br Z1618028972 [0,1,0,1,0,0|2,0,0]=4 873 B14R3.14987 C1=CC2=C(C=C1)OC(=C2)C3CO3 Z285186474 [0,0,0,2,0,0|1,0,1]=4 874 B14R3.14987 C1=CC2=C(C=C1)OC(=C2)[C@@H]3CO3 Z1575341648 [0,0,0,2,0,0|1,0,1]=4 875 B14R3.14987 C1=CC2=C(C=C1)OC(=C2)[C@H]3CO3 Z1575341761 [0,0,0,2,0,0|1,0,1]=4 876 B10R1.29 CN1C=CC=C1/C=C/C=O Z1255493927 [1,0,0,0,1,0|2,0,0]=4 877 B10R1.18 CC(=O)NC1=CC=CC=C1 Z27782600 [1,0,0,0,1,0|2,0,0]=4 878 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [1,0,0,0,1,0|1,0,1]=4 879 B10R1.18 NC(=O)OC1=CC=CC=C1 Z33547080 [1,0,0,0,1,0|2,0,0]=4 880 B10R1.18 O=C(O)CC1=CC=NC=C1 Z271099418 [1,0,0,0,1,0|1,0,1]=4 881 B10R1.18 O=C(O)CC1=CN=CC=C1 Z285131558 [1,0,0,0,1,0|1,0,1]=4 882 B10R1.18 O=S(O)CC1=CC=CC=C1 Z3211806022 [1,0,0,0,1,0|1,0,1]=4 883 B10R1.66 CC(=O)/C=C/C1=CC=CO1 Z57114540 [1,0,0,0,1,0|2,0,0]=4 884 B10R1.66 O=C(O)/C=C/C1=CC=CN1 Z1198166880 [1,0,0,0,1,0|1,0,0]=3 885 B10R1.66 O=C(O)/C=C/C1=CC=CO1 Z2311574202 [1,0,0,0,1,0|1,0,0]=3 886 B10R1.66 O=C(O)/C=C/C1=CC=CS1 Z56855126 [1,0,0,0,1,0|1,0,0]=3 887 B10R1.66 O=C(O)/C=C/C1=CN=CS1 Z1198166918 [1,0,0,0,1,0|2,0,0]=4 888 B10R1.66 O=C(O)/C=C/C1=CNC=C1 Z1203733427 [1,0,0,0,1,0|1,0,0]=3 889 B10R1.66 O=C(O)/C=C/C1=CNC=N1 Z2942853595 [1,0,0,0,1,0|2,0,0]=4 890 B10R1.66 O=C(O)/C=C/C1=CNN=C1 Z2670716109 [1,0,0,0,1,0|2,0,0]=4 891 B10R1.66 O=C(O)/C=C/C1=COC=N1 Z2633786305 [1,0,0,0,1,0|2,0,0]=4 892 B10R1.66 O=C(O)/C=C/C1=CSC=C1 Z2417572197 [1,0,0,0,1,0|1,0,0]=3 893 B10R1.66 O=C(O)/C=C/C1=CSC=N1 Z381407308 [1,0,0,0,1,0|2,0,0]=4 894 B10R1.66 O=C(O)/C=C/C1=NC=CN1 Z2488957066 [1,0,0,0,1,0|2,0,0]=4 895 B10R1.66 O=C(O)/C=C/C1=NC=CO1 Z2648955764 [1,0,0,0,1,0|2,0,0]=4 896 B10R1.66 O=C(O)/C=C/C1=NC=CS1 Z381407314 [1,0,0,0,1,0|2,0,0]=4 897 B10R1.66 O=C(O)/C=C/C1=NNC=C1 Z3037424296 [1,0,0,0,1,0|2,0,0]=4 898 B10R1.61 CC(=O)C1=C(C=CC=C1)Br Z219997444 [0,0,0,0,2,0|2,0,0]=4 899 B10R1.61 CC(=O)C1=C(C=CC=C1)Cl Z104473116 [0,0,0,0,2,0|2,0,0]=4 900 B10R1.61 CC(=O)C1=C(C=CC=C1)F Z104475574 [0,0,0,0,2,0|2,0,0]=4 901 B10R1.61 CC(=O)C1=C(C=CC=C1)I Z1080378952 [0,0,0,0,2,0|2,0,0]=4 902 B10R1.61 CC(=O)C1=C(C=CC=C1)O Z57101014 [0,0,0,0,2,0|1,0,0]=3 903 B10R1.61 CC(=O)C1=C(C=CC=N1)O Z1198175942 [0,0,0,0,2,0|2,0,0]=4 904 B10R1.61 CC(=O)C1=C(C=NC=C1)O Z1255445560 [0,0,0,0,2,0|2,0,0]=4 905 B10R1.61 CC1=C(C=CC=C1)C(=O)O Z104495626 [0,0,0,0,2,0|1,0,0]=3 906 B10R1.61 CC1=C(C=CC=N1)C(=O)O Z1276602308 [0,0,0,0,2,0|2,0,0]=4 907 B10R1.61 CC1=C(C=CN=C1)C(=O)O Z1708090074 [0,0,0,0,2,0|2,0,0]=4 908 B10R1.61 CC1=C(C=NC=C1)C(=O)O Z199468010 [0,0,0,0,2,0|2,0,0]=4 909 B10R1.61 CC1=C(N=CC=C1)C(=O)O Z976634736 [0,0,0,0,2,0|2,0,0]=4 910 B10R1.61 N=C(N)C1=C(C=CC=C1)O Z1431002716 [0,0,0,0,2,0|2,0,0]=4 911 B10R1.61 NC(=O)C1=C(C=CC=C1)Cl Z33546379 [0,0,0,0,2,0|2,0,0]=4 912 B10R1.61 NC(=O)C1=C(C=CC=C1)F Z33546498 [0,0,0,0,2,0|2,0,0]=4 913 B10R1.61 NC(=O)C1=C(C=CC=C1)I Z33546623 [0,0,0,0,2,0|2,0,0]=4 914 B10R1.61 NC(=O)C1=C(C=CC=C1)N Z57036632 [0,0,0,0,2,0|2,0,0]=4 915 B10R1.61 NC(=O)C1=C(C=CC=C1)O Z68590124 [0,0,0,0,2,0|1,0,0]=3 916 B10R1.61 NC(=O)C1=C(C=CN=C1)O Z1198177193 [0,0,0,0,2,0|2,0,0]=4 917 B10R1.61 NC1=C(C=CC=N1)C(=O)O Z104475724 [0,0,0,0,2,0|2,0,0]=4 918 B10R1.61 NC1=C(C=CN=C1)C(=O)O Z414314668 [0,0,0,0,2,0|2,0,0]=4 919 B10R1.61 NC1=C(C=NC=C1)C(=O)O Z1167043563 [0,0,0,0,2,0|2,0,0]=4 920 B10R1.61 NC1=C(N=CC=C1)C(=O)O Z1201619040 [0,0,0,0,2,0|2,0,0]=4 921 B10R1.61 O=C(O)C1=C(C=CC=C1)Br Z57825381 [0,0,0,0,2,0|1,0,0]=3 922 B10R1.61 O=C(O)C1=C(C=CC=C1)Cl Z57127537 [0,0,0,0,2,0|1,0,0]=3 923 B10R1.61 O=C(O)C1=C(C=CC=C1)F Z57914061 [0,0,0,0,2,0|1,0,0]=3 924 B10R1.61 O=C(O)C1=C(C=CC=C1)I Z57637028 [0,0,0,0,2,0|1,0,0]=3 925 B10R1.61 O=C(O)C1=C(C=CC=C1)O Z56757226 [0,0,0,0,2,0|0,0,0]=2 926 B10R1.61 O=C(O)C1=C(C=CC=C1)S Z104477754 [0,0,0,0,2,0|0,1,0]=3 927 B10R1.61 O=C(O)C1=C(C=CC=N1)Cl Z1203161828 [0,0,0,0,2,0|2,0,0]=4 928 B10R1.61 O=C(O)C1=C(C=CC=N1)O Z608353738 [0,0,0,0,2,0|1,0,0]=3 929 B10R1.61 O=C(O)C1=C(C=NC=C1)Br Z1238800040 [0,0,0,0,2,0|2,0,0]=4 930 B10R1.61 O=C(O)C1=C(C=NC=C1)Cl Z1255387391 [0,0,0,0,2,0|2,0,0]=4 931 B10R1.61 O=C(O)C1=C(C=NC=C1)F Z1270326283 [0,0,0,0,2,0|2,0,0]=4 932 B10R1.61 O=C(O)C1=C(C=NC=C1)I Z1269217659 [0,0,0,0,2,0|2,0,0]=4 933 B10R1.61 O=C(O)C1=C(N=CC=C1)Br Z926900218 [0,0,0,0,2,0|2,0,0]=4 934 B10R1.61 O=C(O)C1=C(N=CC=C1)Cl Z104474538 [0,0,0,0,2,0|2,0,0]=4 935 B10R1.61 O=C(O)C1=C(N=CC=C1)F Z1203161997 [0,0,0,0,2,0|2,0,0]=4 936 B10R1.61 O=C(O)C1=C(N=CC=C1)I Z1269167145 [0,0,0,0,2,0|2,0,0]=4 937 B10R1.61 O=C(O)C1=C(N=CC=C1)S Z203045100 [0,0,0,0,2,0|1,1,0]=4 938 B10R1.61 O=C(O)C1=CC=CNC1=O Z57012260 [0,0,0,0,2,0|1,0,1]=4 939 B10R1.61 O=C(O)C1=CNC=CC1=O Z1869802012 [0,0,0,0,2,0|1,0,1]=4 940 B10R1.61 O=C(O)C1=[N+](C=CC=C1)[O-] Z147642478 [0,0,0,0,2,0|1,0,1]=4 941 B10R1.61 OB(O)C1=C(C=CC=C1)O Z1201620791 [0,0,0,0,2,0|1,0,1]=4 942 B14R1.159 O=C(O)CO/N=C/C1=C(C=CC=C1)Br Z56808161 [0,0,0,0,0,2|1,0,1]=4 943 B14R1.159 O=C(O)CO/N=C/C1=C(C=CC=C1)O Z56774780 [0,0,0,0,0,2|0,0,1]=3