0 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)O)F Z1083021660 [0,0,0,0,0,0|2,0,2]=4 1 B13R1.511 CC1=C(C=C(C=C1)/C=C/C(=O)O)Cl Z2417572386 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)C Z445853388 [0,0,0,0,0,0|2,0,2]=4 3 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Cl Z185153284 [0,0,0,0,0,0|2,0,2]=4 4 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)O)C Z56820874 [0,0,0,0,0,0|3,0,1]=4 5 B13R1.511 CC1=C(C=C(C=C1)SCC(=O)O)C Z55903758 [0,0,0,0,0,0|3,0,1]=4 6 B13R1.511 CC1=C(C=CC(=C1)/C=C/C(=O)O)Br Z1269121998 [0,0,0,0,0,0|2,0,0]=2 7 B13R1.511 CC1=C(C=CC(=C1)/C=C/C(=O)O)F Z2311791362 [0,0,0,0,0,0|2,0,0]=2 8 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)O)Br Z1269176292 [0,0,0,0,0,0|2,0,2]=4 9 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Br Z57204188 [0,0,0,0,0,0|3,0,1]=4 10 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Cl Z56823032 [0,0,0,0,0,0|3,0,1]=4 11 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)F Z1262524725 [0,0,0,0,0,0|3,0,1]=4 12 B13R1.511 CC1=C(N=CC(=C1)/C=C/C(=O)O)N Z1483991924 [0,0,0,0,0,0|3,0,0]=3 13 B13R1.511 NC(=O)NCC1=CC(=C(C=C1)O)F Z1244088772 [0,0,0,0,0,0|3,0,1]=4 14 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)Br)Cl Z2942851660 [0,0,0,0,0,0|2,0,0]=2 15 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)Cl)Cl Z56895731 [0,0,0,0,0,0|2,0,0]=2 16 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)F)Cl Z2942852367 [0,0,0,0,0,0|2,0,0]=2 17 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)F)F Z2942853625 [0,0,0,0,0,0|2,0,0]=2 18 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)O)O Z240113804 [0,0,0,0,0,0|0,0,0]=0 19 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Br)Cl Z57039611 [0,0,0,0,0,0|2,0,2]=4 20 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)Cl Z237515176 [0,0,0,0,0,0|2,0,2]=4 21 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)F Z838969840 [0,0,0,0,0,0|2,0,2]=4 22 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)O)Cl Z839165388 [0,0,0,0,0,0|1,0,2]=3 23 B13R1.511 O=C(O)COC1=CC(=C(C=C1)Cl)Cl Z65558737 [0,0,0,0,0,0|3,0,1]=4 24 B13R1.511 O=C(O)COC1=CC(=C(C=C1)Cl)F Z1486018170 [0,0,0,0,0,0|3,0,1]=4 25 B13R1.511 O=C(O)COC1=CC(=C(C=C1)F)Cl Z65577990 [0,0,0,0,0,0|3,0,1]=4 26 B13R1.511 O=C(O)COC1=CC(=C(C=C1)F)F Z228583518 [0,0,0,0,0,0|3,0,1]=4 27 B13R1.511 O=C(O)CSC1=CC(=C(C=C1)F)F Z92655191 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F Z1201619760 [1,0,0,0,0,0|2,0,0]=3 29 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)O Z2942851512 [1,0,0,0,0,0|1,0,0]=2 30 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O Z169855336 [1,0,0,0,0,0|1,0,2]=4 31 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O Z56812739 [1,0,0,0,0,0|2,0,1]=4 32 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O Z55903478 [1,0,0,0,0,0|2,0,1]=4 33 B12R1.21 CC1=CN=C(C=C1)/C=C/C(=O)O Z1816507718 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.21 CC1=NC=C(C=C1)/C=C/C(=O)O Z1815157396 [1,0,0,0,0,0|2,0,0]=3 35 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Br Z33545605 [1,0,0,0,0,0|2,0,0]=3 36 B12R1.21 NC(=O)COC1=CC=C(C=C1)O Z381414726 [1,0,0,0,0,0|2,0,1]=4 37 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O Z56762319 [1,0,0,0,0,0|1,0,0]=2 38 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O Z336079452 [1,0,0,0,0,0|1,0,2]=4 39 B12R1.21 NC1=CC=C(C=C1)OCC(=O)O Z3241275736 [1,0,0,0,0,0|2,0,1]=4 40 B12R1.21 NC1=NC=C(C=C1)/C=C/C(=O)O Z1374884316 [1,0,0,0,0,0|2,0,0]=3 41 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Br Z2237493681 [1,0,0,0,0,0|1,0,0]=2 42 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Cl Z56989206 [1,0,0,0,0,0|1,0,0]=2 43 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)F Z2942851074 [1,0,0,0,0,0|1,0,0]=2 44 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)O Z56911963 [1,0,0,0,0,0|0,0,0]=1 45 B12R1.21 O=C(O)/C=C/C1=CN=C(C=C1)Cl Z1962225677 [1,0,0,0,0,0|2,0,0]=3 46 B12R1.21 O=C(O)/C=C/C1=CN=C(C=C1)F Z2949503127 [1,0,0,0,0,0|2,0,0]=3 47 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Br Z118438622 [1,0,0,0,0,0|1,0,2]=4 48 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Cl Z178961272 [1,0,0,0,0,0|1,0,2]=4 49 B12R1.21 O=C(O)CCC1=CC=C(C=C1)F Z89264973 [1,0,0,0,0,0|1,0,2]=4 50 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [1,0,0,0,0,0|0,0,2]=3 51 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Br Z274534708 [1,0,0,0,0,0|2,0,1]=4 52 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Cl Z274534702 [1,0,0,0,0,0|2,0,1]=4 53 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O Z57127481 [1,0,0,0,0,0|1,0,1]=3 54 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br Z56812736 [1,0,0,0,0,0|2,0,1]=4 55 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl Z57181989 [1,0,0,0,0,0|2,0,1]=4 56 B12R1.21 O=C(O)COC1=CC=C(C=C1)F Z56978034 [1,0,0,0,0,0|2,0,1]=4 57 B12R1.21 O=C(O)COC1=CC=C(C=C1)I Z56943814 [1,0,0,0,0,0|2,0,1]=4 58 B12R1.21 O=C(O)COC1=CC=C(C=C1)O Z1192367471 [1,0,0,0,0,0|1,0,1]=3 59 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Br Z55903477 [1,0,0,0,0,0|2,0,1]=4 60 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Cl Z55179956 [1,0,0,0,0,0|2,0,1]=4 61 B12R1.21 O=C(O)CSC1=CC=C(C=C1)F Z55903650 [1,0,0,0,0,0|2,0,1]=4 62 B12R1.21 O=C(O)CSC1=CC=C(C=C1)O Z733878444 [1,0,0,0,0,0|1,0,1]=3 63 B12R1.21 O=[N+]([O-])/C=C/C1=CC=C(C=C1)Cl Z208331660 [1,0,0,0,0,0|2,0,1]=4 64 B12R1.226 CC1=CC(=CC=C1)/C=C/C(=O)O Z2942851787 [1,0,0,0,0,0|1,0,0]=2 65 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O Z169993866 [1,0,0,0,0,0|1,0,2]=4 66 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O Z56899056 [1,0,0,0,0,0|2,0,1]=4 67 B12R1.226 CC1=CC(=CC=C1)SCC(=O)O Z778642574 [1,0,0,0,0,0|2,0,1]=4 68 B12R1.226 CC1=CC(=CN=C1)/C=C/C(=O)O Z1473962891 [1,0,0,0,0,0|2,0,0]=3 69 B12R1.226 NC(=O)COC1=CC(=CC=C1)O Z381415558 [1,0,0,0,0,0|2,0,1]=4 70 B12R1.226 NC1=CC(=CC=C1)/C=C/C(=O)O Z2942853438 [1,0,0,0,0,0|1,0,0]=2 71 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Br Z2312942093 [1,0,0,0,0,0|1,0,0]=2 72 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Cl Z2573655238 [1,0,0,0,0,0|1,0,0]=2 73 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)F Z2935925467 [1,0,0,0,0,0|1,0,0]=2 74 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)O Z247613734 [1,0,0,0,0,0|0,0,0]=1 75 B12R1.226 O=C(O)/C=C/C1=CC(=CN=C1)F Z2587702979 [1,0,0,0,0,0|2,0,0]=3 76 B12R1.226 O=C(O)/C=C/C1=CC(=CN=C1)O Z1518653071 [1,0,0,0,0,0|1,0,0]=2 77 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)Br Z1269228386 [1,0,0,0,0,0|2,0,0]=3 78 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)Cl Z1255503510 [1,0,0,0,0,0|2,0,0]=3 79 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)O Z2633787192 [1,0,0,0,0,0|1,0,0]=2 80 B12R1.226 O=C(O)/C=C/C1=NC(=CC=C1)Cl Z1255503511 [1,0,0,0,0,0|2,0,0]=3 81 B12R1.226 O=C(O)C#CC1=CC(=CC=C1)Cl Z1143242523 [1,0,0,0,0,0|1,0,2]=4 82 B12R1.226 O=C(O)CCC1=CC(=CC=C1)Br Z56943439 [1,0,0,0,0,0|1,0,2]=4 83 B12R1.226 O=C(O)CCC1=CC(=CC=C1)F Z185153196 [1,0,0,0,0,0|1,0,2]=4 84 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [1,0,0,0,0,0|0,0,2]=3 85 B12R1.226 O=C(O)CCC1=CC(=CN=C1)O Z1504676734 [1,0,0,0,0,0|1,0,2]=4 86 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl Z274534700 [1,0,0,0,0,0|2,0,1]=4 87 B12R1.226 O=C(O)COC1=CC(=CC=C1)Br Z56812737 [1,0,0,0,0,0|2,0,1]=4 88 B12R1.226 O=C(O)COC1=CC(=CC=C1)Cl Z57008935 [1,0,0,0,0,0|2,0,1]=4 89 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Br Z255149890 [1,0,0,0,0,0|2,0,1]=4 90 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Cl Z994465872 [1,0,0,0,0,0|2,0,1]=4 91 B12R1.226 O=C(O)CSC1=CC(=CC=C1)F Z1198220671 [1,0,0,0,0,0|2,0,1]=4 92 B12R1.226 O=C(O)CSC1=CC(=CC=C1)O Z1262555002 [1,0,0,0,0,0|1,0,1]=3 93 B12R1.226 O=[N+]([O-])/C=C/C1=CC(=CC=C1)I Z56757676 [1,0,0,0,0,0|2,0,1]=4 94 B12R1.385 O=C/C=C/C1=CC(=C(C=C1)Cl)Cl Z1269224361 [1,0,0,0,0,0|2,0,0]=3 95 B12R1.385 O=C/C=C/C1=CC(=C(C=C1)F)F Z1255405037 [1,0,0,0,0,0|2,0,0]=3 96 B12R1.385 OC/C=C/C1=CC(=C(C=C1)Cl)Cl Z1269240197 [1,0,0,0,0,0|2,0,1]=4 97 B14R1.42 COC1=C(C=CC(=C1)/C=C/C(=O)O)F Z1201621929 [0,1,0,0,0,0|1,0,0]=2 98 B14R1.42 COC1=C(C=CC(=C1)/C=C/C(=O)O)O Z56782558 [0,1,0,0,0,0|0,0,0]=1 99 B14R1.42 COC1=C(C=CC(=C1)/C=C/C(C)O)O Z1513917280 [0,1,0,0,0,0|1,0,1]=3 100 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)C)O Z1255442373 [0,1,0,0,0,0|1,0,2]=4 101 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)Cl Z1269146778 [0,1,0,0,0,0|1,0,2]=4 102 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O Z317038020 [0,1,0,0,0,0|0,0,2]=3 103 B14R1.42 O=CC1=C(C=CC(=C1)/C=C/C(=O)O)O Z1198181572 [0,1,0,0,0,0|0,0,1]=2 104 B14R1.42 O=CC1=C(C=CC(=C1)CCC(=O)O)O Z1262519251 [0,1,0,0,0,0|0,0,3]=4 105 B14R1.686 C/C(=C\C1=CC(=C(C=C1)F)F)/C(=O)O Z2757550092 [0,1,0,0,0,0|2,0,0]=3 106 B14R1.686 CC(CC1=CC(=C(C=C1)O)O)C(=O)O Z1198162859 [0,1,0,0,0,0|0,0,2]=3 107 B14R1.686 CC1=C(C=C(C=C1)NC(=O)C(=O)O)C Z57980332 [0,1,0,0,0,0|3,0,0]=4 108 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)Br)C(=O)O Z1269188313 [0,1,0,0,0,0|1,0,2]=4 109 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)I)C(=O)O Z1269198907 [0,1,0,0,0,0|1,0,2]=4 110 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z756440064 [0,1,0,0,0,0|0,0,2]=3 111 B14R1.686 N[C@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z1255419382 [0,1,0,0,0,0|0,0,2]=3 112 B14R1.686 O=C(O)C(=O)CC1=CC(=C(C=C1)Cl)Cl Z234896633 [0,1,0,0,0,0|2,0,1]=4 113 B14R1.833 COC(=O)/C=C/C1=CC(=C(C=C1)Cl)Cl Z24142880 [0,1,0,0,0,0|2,0,0]=3 114 B14R1.833 COC(=O)CCC1=CC(=C(C=C1)O)N Z1509418737 [0,1,0,0,0,0|1,0,2]=4 115 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)N)F Z101185926 [0,1,0,0,0,0|2,0,0]=3 116 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)Cl Z2311776784 [0,1,0,0,0,0|1,0,0]=2 117 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)F Z2312274789 [0,1,0,0,0,0|1,0,0]=2 118 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)O Z2693271860 [0,1,0,0,0,0|0,0,0]=1 119 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)C)O Z1268633028 [0,1,0,0,0,0|1,0,2]=4 120 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Br Z303635158 [0,1,0,0,0,0|1,0,2]=4 121 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Cl Z235345357 [0,1,0,0,0,0|1,0,2]=4 122 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)N Z1251354132 [0,1,0,0,0,0|1,0,2]=4 123 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)O Z317038026 [0,1,0,0,0,0|0,0,2]=3 124 B14R1.3653 COC1=C(C=C(C=C1)OCC(=O)O)C Z1430609738 [0,1,0,0,0,0|2,0,1]=4 125 B14R1.3653 COC1=COC(=CC1=O)/C=C/C(=O)O Z2065904035 [0,1,0,0,0,0|1,0,1]=3 126 B14R1.6036 CC1=C(C=C(C(=C1)Cl)O)OCC(=O)O Z1209414410 [0,1,0,0,0,0|2,0,1]=4 127 B14R1.6036 CC1=CC(=C(C=C1/C=C/C(=O)O)C)C Z363999626 [0,1,0,0,0,0|2,0,0]=3 128 B14R1.15552 O=C(O)/C=C/C1=CC(=C(C(=C1)F)F)F Z2942853536 [0,1,0,0,0,0|2,0,0]=3 129 B14R2.4513 CC1=C2NC(=O)C=CC2=CC=C1Cl Z1201628032 [0,0,0,1,0,0|3,0,0]=4 130 B14R2.4513 O=C1C=CC2=C(N1)C(=C(C=C2)Cl)Cl Z1209414486 [0,0,0,1,0,0|3,0,0]=4 131 B14R2.4513 O=C1C=CC2=CC=C(C(=C2N1)Cl)Br Z2472476632 [0,0,0,1,0,0|3,0,0]=4 132 B14R2.7933 O=C(O)C1CC2=C1C=C(C(=C2)F)O Z4959121917 [0,0,0,1,0,0|1,0,2]=4 133 B12R1.19 CC(=O)CC1=CC(=C(C=C1)O)Br Z1269192817 [0,0,0,0,1,0|2,0,1]=4 134 B12R1.19 CC(=O)NC1=CC(=C(C=C1)O)F Z1216844087 [0,0,0,0,1,0|3,0,0]=4 135 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)Br Z1269160930 [0,0,0,0,1,0|2,0,1]=4 136 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)C Z56923286 [0,0,0,0,1,0|2,0,1]=4 137 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)Cl Z1198264457 [0,0,0,0,1,0|2,0,1]=4 138 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)O Z1198166108 [0,0,0,0,1,0|1,0,1]=3 139 B12R1.19 CC1=C(C=CC(=C1)CC(=O)O)Br Z1269233833 [0,0,0,0,1,0|2,0,1]=4 140 B12R1.19 CC1=C(C=CC(=C1)CC(=O)O)O Z1198169209 [0,0,0,0,1,0|1,0,1]=3 141 B12R1.19 O=C(O)CC1=CC(=C(C=C1)Br)Br Z1269150510 [0,0,0,0,1,0|2,0,1]=4 142 B12R1.19 O=C(O)CC1=CC(=C(C=C1)Br)Cl Z1269109822 [0,0,0,0,1,0|2,0,1]=4 143 B12R1.19 O=C(O)CC1=CC(=C(C=C1)Br)F Z1269111454 [0,0,0,0,1,0|2,0,1]=4 144 B12R1.19 O=C(O)CC1=CC(=C(C=C1)Cl)Br Z1269184545 [0,0,0,0,1,0|2,0,1]=4 145 B12R1.19 O=C(O)CC1=CC(=C(C=C1)Cl)Cl Z104476066 [0,0,0,0,1,0|2,0,1]=4 146 B12R1.19 O=C(O)CC1=CC(=C(C=C1)F)Br Z285131564 [0,0,0,0,1,0|2,0,1]=4 147 B12R1.19 O=C(O)CC1=CC(=C(C=C1)F)Cl Z362118814 [0,0,0,0,1,0|2,0,1]=4 148 B12R1.19 O=C(O)CC1=CC(=C(C=C1)F)F Z362118708 [0,0,0,0,1,0|2,0,1]=4 149 B12R1.19 O=C(O)CC1=CC(=C(C=C1)I)Br Z1269147843 [0,0,0,0,1,0|2,0,1]=4 150 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)Cl Z1205411134 [0,0,0,0,1,0|1,0,1]=3 151 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)F Z1255445925 [0,0,0,0,1,0|1,0,1]=3 152 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)O Z1255438427 [0,0,0,0,1,0|0,0,1]=2 153 B14R1.687 CC(=O)NCCC1=CC(=C(C=C1)O)O Z68159731 [0,0,0,0,0,1|1,0,2]=4 154 B11R1.1 CC1=NC=C(C=C1)/C=C/C=O Z1695735078 [2,0,0,0,0,0|2,0,0]=4 155 B11R1.1 O=C/C=C/C1=CC=C(C=C1)Br Z1269187977 [2,0,0,0,0,0|1,0,0]=3 156 B11R1.1 O=C/C=C/C1=CC=C(C=C1)Cl Z2242062296 [2,0,0,0,0,0|1,0,0]=3 157 B11R1.1 O=C/C=C/C1=CC=C(C=C1)F Z2768202189 [2,0,0,0,0,0|1,0,0]=3 158 B11R1.1 OC/C=C/C1=CC=C(C=C1)O Z2235811101 [2,0,0,0,0,0|0,0,1]=3 159 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 Z2582847786 [2,0,0,0,0,0|1,0,0]=3 160 B11R1.91 CC(=O)/C=C/C1=NC=CC=C1 Z2004564056 [2,0,0,0,0,0|2,0,0]=4 161 B11R1.91 NC(=O)/C=C/C1=CN=CC=C1 Z284112150 [2,0,0,0,0,0|2,0,0]=4 162 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [2,0,0,0,0,0|0,0,0]=2 163 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 Z2315575398 [2,0,0,0,0,0|1,0,0]=3 164 B11R1.91 O=C(O)/C=C/C1=CN=CC=C1 Z2315575379 [2,0,0,0,0,0|1,0,0]=3 165 B11R1.91 O=C(O)/C=C/C1=NC=CC=C1 Z57069085 [2,0,0,0,0,0|1,0,0]=3 166 B11R1.91 O=C(O)/C=C/C1=NC=CN=C1 Z445220894 [2,0,0,0,0,0|2,0,0]=4 167 B11R1.91 O=C(O)/C=C/C1=NC=NC=C1 Z1184882069 [2,0,0,0,0,0|2,0,0]=4 168 B11R1.91 O=C(O)C#CC1=CC=CC=C1 Z271128592 [2,0,0,0,0,0|0,0,2]=4 169 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [2,0,0,0,0,0|0,0,2]=4 170 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [2,0,0,0,0,0|1,0,1]=4 171 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [2,0,0,0,0,0|1,0,1]=4 172 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [2,0,0,0,0,0|1,0,1]=4 173 B11R1.91 OB(O)/C=C/C1=CC=CC=C1 Z2315575087 [2,0,0,0,0,0|1,0,1]=4 174 B11R1.24 O=C/C=C/C1=CC=CC(=C1)F Z1198179803 [2,0,0,0,0,0|1,0,0]=3 175 B13R1.3 CCC1=CC=C(C=C1)/C=C/C(=O)O Z2942851866 [1,1,0,0,0,0|1,0,0]=3 176 B13R1.3 COC1=CC=C(C=C1)/C=C/C(=O)O Z56931888 [1,1,0,0,0,0|0,0,0]=2 177 B13R1.3 COC1=CC=C(C=C1)/C=C/[N+](=O)[O-] Z56755542 [1,1,0,0,0,0|1,0,1]=4 178 B13R1.3 COC1=CC=C(C=C1)C#CC(=O)O Z57100824 [1,1,0,0,0,0|0,0,2]=4 179 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O Z104486868 [1,1,0,0,0,0|0,0,2]=4 180 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O Z57229609 [1,1,0,0,0,0|1,0,1]=4 181 B13R1.3 COC1=CC=C(C=C1)SCC(=O)O Z56770877 [1,1,0,0,0,0|1,0,1]=4 182 B13R1.3 COC1=CN=C(C=C1)/C=C/C(=O)O Z1815157394 [1,1,0,0,0,0|1,0,0]=3 183 B13R1.3 COC1=NC=C(C=N1)/C=C/C(=O)O Z2887852697 [1,1,0,0,0,0|2,0,0]=4 184 B13R1.3 CSC1=CC=C(C=C1)/C=C/C(=O)O Z2895087258 [1,1,0,0,0,0|0,1,0]=3 185 B13R1.3 N#CC1=CC=C(C=C1)/C=C/C(=O)N Z33546125 [1,1,0,0,0,0|2,0,0]=4 186 B13R1.3 N#CC1=CC=C(C=C1)/C=C/C(=O)O Z2942851604 [1,1,0,0,0,0|1,0,0]=3 187 B13R1.3 O=C(O)CCC1=CC=C(C=C1)CO Z1262512949 [1,1,0,0,0,0|0,0,2]=4 188 B13R1.3 O=C(O)COC1=CC=C(C=C1)CO Z359627548 [1,1,0,0,0,0|1,0,1]=4 189 B13R1.3 O=CC1=CC=C(C=C1)/C=C/C(=O)O Z1255434745 [1,1,0,0,0,0|0,0,1]=3 190 B13R1.14 CNC(=O)/C=C/C1=CC=C(C=C1)C Z32016902 [1,1,0,0,0,0|2,0,0]=4 191 B13R1.14 CNC(=O)/C=C/C1=CC=C(C=C1)F Z32016729 [1,1,0,0,0,0|2,0,0]=4 192 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Br Z18161847 [1,1,0,0,0,0|1,0,0]=3 193 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)F Z18711475 [1,1,0,0,0,0|1,0,0]=3 194 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)O Z24946550 [1,1,0,0,0,0|0,0,0]=2 195 B13R1.14 COC(=O)/C=C/C1=CN=C(C=C1)Cl Z2587766456 [1,1,0,0,0,0|2,0,0]=4 196 B13R1.14 COC(=O)/C=C/C1=CN=C(C=C1)F Z2949503064 [1,1,0,0,0,0|2,0,0]=4 197 B13R1.14 COC(=O)/C=C/C1=CN=C(C=C1)O Z2799082212 [1,1,0,0,0,0|1,0,0]=3 198 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O Z796576156 [1,1,0,0,0,0|0,0,2]=4 199 B13R1.14 COC(=O)COC1=CC=C(C=C1)O Z1190318463 [1,1,0,0,0,0|1,0,1]=4 200 B13R1.132 C/C(=C\C(=O)O)/C1=CC=C(C=C1)F Z352747294 [1,1,0,0,0,0|1,0,0]=3 201 B13R1.133 C/C(=C\C1=CC=C(C=C1)F)/C(=O)O Z1350606414 [1,1,0,0,0,0|1,0,0]=3 202 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O Z271004544 [1,1,0,0,0,0|1,0,1]=4 203 B13R1.133 CC1=CC=C(C=C1)NC(=O)C(=O)O Z57984667 [1,1,0,0,0,0|2,0,0]=4 204 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O Z57127380 [1,1,0,0,0,0|0,0,2]=4 205 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O Z756440046 [1,1,0,0,0,0|0,0,2]=4 206 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O Z969739284 [1,1,0,0,0,0|0,0,2]=4 207 B13R1.133 O=C(O)C(=O)NC1=CC=C(C=C1)Cl Z90122505 [1,1,0,0,0,0|2,0,0]=4 208 B13R1.164 CC1=C(C=CC(=N1)N)/C=C/C(=O)O Z1431903363 [1,1,0,0,0,0|2,0,0]=4 209 B13R1.164 CC1=CC(=C(C=C1)/C=C/C(=O)O)Br Z57033999 [1,1,0,0,0,0|1,0,0]=3 210 B13R1.164 CC1=CC(=C(C=C1)/C=C/C(=O)O)C Z2312274886 [1,1,0,0,0,0|1,0,0]=3 211 B13R1.164 O=C(O)/C=C/C1=C(N=C(C=C1)Cl)Cl Z2750454499 [1,1,0,0,0,0|2,0,0]=4 212 B13R1.15 CNC(=O)/C=C/C1=CC(=CC=C1)C Z32016027 [1,1,0,0,0,0|2,0,0]=4 213 B13R1.15 CNC(=O)/C=C/C1=CC(=CC=C1)F Z32016688 [1,1,0,0,0,0|2,0,0]=4 214 B13R1.15 COC(=O)/C=C/C1=CC(=CC=C1)C Z24506079 [1,1,0,0,0,0|1,0,0]=3 215 B13R1.15 COC(=O)NCC1=CC(=CC=C1)O Z728883650 [1,1,0,0,0,0|1,0,1]=4 216 B13R1.147 C/C(=C\C(=O)O)/C1=CC(=CC=C1)Br Z352748382 [1,1,0,0,0,0|1,0,0]=3 217 B13R1.147 C/C(=C\C(=O)O)/C1=CC(=CC=C1)Cl Z352746932 [1,1,0,0,0,0|1,0,0]=3 218 B13R1.147 C/C(=C\C(=O)O)/C1=CC(=CC=C1)F Z352748162 [1,1,0,0,0,0|1,0,0]=3 219 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)O Z352252742 [1,1,0,0,0,0|0,0,2]=4 220 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O Z317025828 [1,1,0,0,0,0|0,0,2]=4 221 B13R1.148 N[C@@H](CC1=CC(=CC=C1)O)C(=O)O Z995228186 [1,1,0,0,0,0|0,0,2]=4 222 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O Z995228562 [1,1,0,0,0,0|0,0,2]=4 223 B13R1.150 O=C(O)/C=C/C1=C(C(=CC=C1)Cl)Cl Z56955953 [1,1,0,0,0,0|1,0,0]=3 224 B13R1.150 O=C(O)/C=C/C1=C(C(=CC=C1)F)Cl Z1269160592 [1,1,0,0,0,0|1,0,0]=3 225 B13R1.150 O=C(O)/C=C/C1=C(C(=CC=C1)O)O Z1198161241 [1,1,0,0,0,0|0,0,0]=2 226 B13R1.643 COC1=CC(=CC=C1)/C=C/C(=O)C Z85921945 [1,1,0,0,0,0|1,0,0]=3 227 B13R1.643 COC1=CC(=CC=C1)/C=C/C(=O)O Z104494816 [1,1,0,0,0,0|0,0,0]=2 228 B13R1.643 COC1=CC(=CC=C1)CCC(=O)O Z169916350 [1,1,0,0,0,0|0,0,2]=4 229 B13R1.643 COC1=CC(=CC=C1)NCC(=O)O Z274534684 [1,1,0,0,0,0|1,0,1]=4 230 B13R1.643 COC1=CC(=CC=C1)OCC(=O)O Z56782975 [1,1,0,0,0,0|1,0,1]=4 231 B13R1.643 COC1=CC(=CC=C1)SCC(=O)O Z239812082 [1,1,0,0,0,0|1,0,1]=4 232 B13R1.643 COC1=CC(=CN=C1)/C=C/C(=O)O Z1649893282 [1,1,0,0,0,0|1,0,0]=3 233 B13R1.643 N#CC1=CC=CC(=C1)/C=C/C(=O)O Z2942852030 [1,1,0,0,0,0|1,0,0]=3 234 B13R1.643 O=C(O)/C=C/C1=CC=CC(=C1)CO Z2942853466 [1,1,0,0,0,0|0,0,0]=2 235 B13R1.643 O=CC1=CC=CC(=C1)/C=C/C(=O)O Z1198181571 [1,1,0,0,0,0|0,0,1]=3 236 B13R1.893 O=C(O)/C=C/C1=C(C=CC(=C1)Br)F Z56955960 [1,1,0,0,0,0|1,0,0]=3 237 B13R1.893 O=C(O)/C=C/C1=C(C=CC(=C1)Cl)Br Z1269118852 [1,1,0,0,0,0|1,0,0]=3 238 B13R1.893 O=C(O)/C=C/C1=C(C=CC(=C1)Cl)Cl Z2895090861 [1,1,0,0,0,0|1,0,0]=3 239 B13R1.893 O=C(O)/C=C/C1=C(C=CC(=C1)F)F Z2942852737 [1,1,0,0,0,0|1,0,0]=3 240 B13R1.3420 CC1=CC(=CC(=C1)/C=C/C(=O)O)C Z2942853499 [1,1,0,0,0,0|1,0,0]=3 241 B13R1.3420 O=C(O)/C=C/C1=CC(=CC(=C1)Cl)Cl Z2895090860 [1,1,0,0,0,0|1,0,0]=3 242 B13R1.1630 CC1=CC(=C(C=C1/C=C/C=O)C)C Z2607874482 [1,1,0,0,0,0|2,0,0]=4 243 B13R1.35 CC1=C(C=CC(=C1)CC(=O)O)CO Z1551958932 [0,1,0,0,1,0|1,0,1]=4 244 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)Cl Z1205414415 [0,1,0,0,1,0|1,0,1]=4 245 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)F Z94598730 [0,1,0,0,1,0|1,0,1]=4 246 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)O Z1065613560 [0,1,0,0,1,0|0,0,1]=3 247 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)Br Z1269221903 [0,1,0,0,1,0|1,0,1]=4 248 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)C Z168876634 [0,1,0,0,1,0|1,0,1]=4 249 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)Cl Z1269148038 [0,1,0,0,1,0|1,0,1]=4 250 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)N Z4184587402 [0,1,0,0,1,0|1,0,1]=4 251 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)O Z1203162033 [0,1,0,0,1,0|0,0,1]=3 252 B13R1.52 O=CC1=C(C=CC(=C1)CC(=O)O)O Z1681376601 [0,1,0,0,1,0|0,0,2]=4 253 B13R1.510 CC1=C(C=CC(=C1)C(=O)C(=O)O)F Z1255356879 [0,1,0,0,1,0|2,0,0]=4 254 B13R1.510 O=C(O)C(=O)C1=CC(=C(C=C1)F)F Z381360892 [0,1,0,0,1,0|2,0,0]=4 255 B15R1.884 O=C(O)C(=O)/C=C/C1=CC(=C(C=C1)F)F Z1509044933 [0,1,0,0,0,1|2,0,0]=4 256 B15R1.889 O=C(O)/C=C/C(=O)C1=CC(=C(C=C1)F)F Z56886352 [0,1,0,0,0,1|2,0,0]=4 257 B15R1.392 COC1=C(C(=CC(=C1)/C=C/C(=O)O)Br)O Z56911947 [0,2,0,0,0,0|0,0,0]=2 258 B15R1.392 COC1=C(C(=CC(=C1)/C=C/C(=O)O)Cl)O Z56957444 [0,2,0,0,0,0|0,0,0]=2 259 B15R1.873 O=C(O)/C=C/C1=CC(=C(C=C1)Cl)[N+](=O)[O-] Z2311573955 [0,2,0,0,0,0|1,0,1]=4 260 B15R1.4038 COC1=C(C=CC(=C1)CC(N)C(=O)O)O Z3212891663 [0,2,0,0,0,0|0,0,2]=4 261 B15R1.4039 COC(=O)/C=C/C1=CC(=C(C=C1)O)OC Z18704892 [0,2,0,0,0,0|0,0,0]=2 262 B15R1.12854 COC1=C(C=C(C=C1)/C=C/C(=O)O)OC Z2573653932 [0,2,0,0,0,0|0,0,0]=2 263 B15R1.12854 COC1=C(C=C(C=C1)/C=C/[N+](=O)[O-])OC Z56862728 [0,2,0,0,0,0|1,0,1]=4 264 B15R1.12854 COC1=C(C=C(C=C1)CCC(=O)O)OC Z57396496 [0,2,0,0,0,0|0,0,2]=4 265 B15R1.758 COC(=O)/C=C(\C)/C1=CC(=C(C=C1)F)F Z3025535638 [0,2,0,0,0,0|2,0,0]=4 266 B15R1.676 CC1=C(C=C(C=C1)/C=C(/C#N)\C(=O)O)F Z1143276948 [0,2,0,0,0,0|2,0,0]=4 267 B15R1.676 N#C/C(=C/C1=CC(=C(C=C1)Cl)Cl)/C(=O)O Z44303409 [0,2,0,0,0,0|2,0,0]=4 268 B15R1.3777 COC1=C(C=C(C=C1)/C=C(\C)/C(=O)O)F Z1341755742 [0,2,0,0,0,0|1,0,0]=3 269 B15R1.8408 CC1=C(C=CC(=C1O)O)CC(N)C(=O)O Z2327040070 [0,2,0,0,0,0|0,0,2]=4 270 B15R1.11316 C[C@@](N)(CC1=CC(=C(C=C1)O)O)C(=O)O Z1508927176 [0,2,0,0,0,0|0,0,2]=4 271 B15R1.11316 C[C@](N)(CC1=CC(=C(C=C1)O)O)C(=O)O Z1508915075 [0,2,0,0,0,0|0,0,2]=4 272 B15R1.3779 CNC(=O)/C=C/C1=CC(=C(C=C1)OC)F Z100643592 [0,2,0,0,0,0|2,0,0]=4 273 B15R1.11472 COC(=O)/C=C/C1=C(C=C(C(=C1)C)C)C Z2738925075 [0,2,0,0,0,0|2,0,0]=4 274 B15R1.9550 CCOC1=C(C=C(C=C1)/C=C/C(=O)O)C Z1509725979 [0,2,0,0,0,0|1,0,0]=3 275 B13R1.1985 NC(=O)C1=CC=C(O1)/C=C/C(=O)O Z2587529255 [0,0,1,1,0,0|1,0,1]=4 276 B13R1.126 O=C1C=C(OC(=C1)C(=O)O)C(=O)O Z1238543360 [0,0,1,1,0,0|2,0,0]=4 277 B13R1.437 CC1=C(C(=CC(=C1)C=O)C(=O)O)O Z1262519244 [0,0,1,1,0,0|2,0,0]=4 278 B13R2.155 CC1=CC2=C(C=C1)C=CC(=C2)O Z1198184356 [1,0,0,1,0,0|2,0,0]=4 279 B13R2.155 CC1=CC2=C(C=C1)C=CC(=N2)O Z3300711621 [1,0,0,1,0,0|2,0,0]=4 280 B13R2.155 O=C1C=CC2=C(N1)C=C(C=C2)Cl Z2010010271 [1,0,0,1,0,0|2,0,0]=4 281 B13R2.155 O=C1C=CC2=C(N1)C=C(C=C2)O Z1198164610 [1,0,0,1,0,0|1,0,0]=3 282 B13R2.155 O=C1C=CC2=C(O1)C=C(C=C2)O Z57150899 [1,0,0,1,0,0|0,0,0]=2 283 B13R2.155 O=C1NCC2=C(O1)C=C(C=C2)O Z2963142130 [1,0,0,1,0,0|1,0,1]=4 284 B13R2.155 OC1=CC2=C(C=C1)C=CC(=C2)O Z104495344 [1,0,0,1,0,0|1,0,0]=3 285 B13R2.162 CC1=NC2=C(C=CC=C2O)C=C1 Z56969328 [1,0,0,1,0,0|2,0,0]=4 286 B13R2.162 NC1=C2C=C(C=CC2=CC=C1)O Z1255461125 [1,0,0,1,0,0|2,0,0]=4 287 B13R2.162 NC1=C2NC(=O)C=CC2=CC=C1 Z1216824472 [1,0,0,1,0,0|2,0,0]=4 288 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)Br Z1209414499 [1,0,0,1,0,0|2,0,0]=4 289 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)O Z839575736 [1,0,0,1,0,0|1,0,0]=3 290 B13R2.162 O=C1NCC2=CC=CC(=C2O1)O Z2894089869 [1,0,0,1,0,0|1,0,1]=4 291 B13R2.162 OC1=C2C=C(C=CC2=CC=C1)Br Z1269193289 [1,0,0,1,0,0|2,0,0]=4 292 B13R2.162 OC1=C2C=C(C=CC2=CC=C1)Cl Z1255356709 [1,0,0,1,0,0|2,0,0]=4 293 B13R2.162 OC1=C2C=C(C=CC2=CC=C1)F Z1255486519 [1,0,0,1,0,0|2,0,0]=4 294 B13R2.3683 CC1=CC2=C(C=C1)C=C(C=C2)O Z1198148710 [1,0,0,1,0,0|2,0,0]=4 295 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)O Z1201618122 [1,0,0,1,0,0|2,0,0]=4 296 B13R2.3683 NC1=CC2=C(C=C1)N=C(C=C2)O Z424995464 [1,0,0,1,0,0|2,0,0]=4 297 B13R2.3683 NC1=CC2=C(C=C1)OC(=O)C=C2 Z56754502 [1,0,0,1,0,0|1,0,0]=3 298 B13R2.3683 O=C1CCC2=C(O1)C=CC(=C2)O Z1513805017 [1,0,0,1,0,0|0,0,2]=4 299 B13R2.3683 OC1=CC2=C(C=C1)C=C(C=C2)Br Z57074412 [1,0,0,1,0,0|2,0,0]=4 300 B13R2.3683 OC1=CC2=C(C=C1)C=C(C=C2)O Z1255382953 [1,0,0,1,0,0|1,0,0]=3 301 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)O Z1255419170 [1,0,0,1,0,0|2,0,0]=4 302 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)O Z2689265962 [1,0,0,1,0,0|2,0,0]=4 303 B13R2.32 NC1=C2N=CC=CC2=CC=C1O Z3490674240 [1,0,0,1,0,0|2,0,0]=4 304 B13R2.32 OC1=C(C2=C(C=C1)N=CC=C2)O Z3490235350 [1,0,0,1,0,0|2,0,0]=4 305 B13R2.32 OC1=C(C2=C(C=CC=C2)C=C1)Br Z56913130 [1,0,0,1,0,0|2,0,0]=4 306 B13R2.32 OC1=C(C2=C(C=CC=N2)C=C1)Br Z2528346966 [1,0,0,1,0,0|2,0,0]=4 307 B13R2.32 OC1=C2C=CC=CC2=CC=C1Br Z1269199494 [1,0,0,1,0,0|2,0,0]=4 308 B13R2.32 OC1=C2C=CC=CC2=CC=C1Cl Z1255445829 [1,0,0,1,0,0|2,0,0]=4 309 B13R2.32 OC1=C2C=CC=CC2=CC=C1F Z1198170673 [1,0,0,1,0,0|2,0,0]=4 310 B13R2.32 OC1=C2N=CC=CC2=CC=C1Cl Z3489764435 [1,0,0,1,0,0|2,0,0]=4 311 B13R2.369 OC1=C(C=C2C=NC=CC2=C1)O Z3892178991 [1,0,0,1,0,0|2,0,0]=4 312 B13R2.369 OC1=C(C=C2N=CC=CC2=C1)Br Z3463125193 [1,0,0,1,0,0|2,0,0]=4 313 B13R2.13083 NC1=C(C=C2SC(=O)OC2=C1)O Z1551917573 [0,0,0,1,1,0|2,0,0]=4 314 B13R2.13083 O=C1OC2=CC(=C(C=C2S1)O)Cl Z1513833014 [0,0,0,1,1,0|2,0,0]=4 315 B13R2.13083 O=C1OC2=CC(=C(C=C2S1)O)I Z1551960387 [0,0,0,1,1,0|2,0,0]=4 316 B13R2.13083 O=C1OC2=CC(=C(C=C2S1)O)O Z1551923954 [0,0,0,1,1,0|1,0,0]=3 317 B15R2.299 CC1=NC(=CS1)C2=CC(=C(C=C2)O)O Z48850671 [0,0,0,1,0,1|2,0,0]=4 318 B15R2.299 NC1=NC(=CS1)C2=CC(=C(C=C2)O)O Z48847616 [0,0,0,1,0,1|2,0,0]=4 319 B15R2.8200 CC1=C(C=C2C(=C1)OC=C2C(=O)O)C Z1704400107 [0,0,0,1,0,1|2,0,0]=4 320 B15R2.8200 O=C(O)C1=CNC2=C1C=C(C(=C2)Br)Br Z147652442 [0,0,0,1,0,1|2,0,0]=4 321 B15R2.8200 O=C(O)C1=CNC2=C1C=C(C(=C2)Cl)Br Z1939443412 [0,0,0,1,0,1|2,0,0]=4 322 B15R2.8200 O=C(O)C1=CNC2=C1C=C(C(=C2)Cl)Cl Z3241972458 [0,0,0,1,0,1|2,0,0]=4 323 B15R2.8200 O=C(O)C1=CNC2=C1C=C(C(=C2)F)F Z1198266511 [0,0,0,1,0,1|2,0,0]=4 324 B15R2.7688 O=C(O)/C=C/C1=CC2=C(C=C1)NC=C2 Z1551463500 [0,1,0,1,0,0|2,0,0]=4 325 B15R2.7688 O=C(O)/C=C/C1=CC2=C(C=C1)OC=C2 Z1198181573 [0,1,0,1,0,0|1,0,0]=3 326 B15R2.7688 O=C(O)/C=C/C1=CC2=C(C=C1)OCC2 Z2942851993 [0,1,0,1,0,0|1,0,0]=3 327 B15R2.7688 O=C(O)/C=C/C1=CC2=C(C=C1)OCO2 Z56789057 [0,1,0,1,0,0|0,0,0]=2 328 B15R2.7688 O=C(O)C#CC1=CC2=C(C=C1)OCO2 Z1255435161 [0,1,0,1,0,0|0,0,2]=4 329 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCO2 Z185153432 [0,1,0,1,0,0|0,0,2]=4 330 B15R2.7688 O=[N+]([O-])/C=C/C1=CC2=C(C=C1)OCO2 Z3103063194 [0,1,0,1,0,0|1,0,1]=4 331 B15R2.59733 CC1=CC(=O)OC2=C1C=C(C(=C2)O)Cl Z57000606 [0,1,0,1,0,0|1,0,0]=3 332 B15R2.59733 O=C1C=C(C2=C(O1)C=C(C(=C2)Cl)Cl)O Z1269178496 [0,1,0,1,0,0|2,0,0]=4 333 B15R2.63910 CC1=CC(=O)NC2=C1C=CC(=C2C)O Z1509187367 [0,1,0,1,0,0|2,0,0]=4 334 B15R2.63910 CC1=CC(=O)OC2=C1C=CC(=C2C)O Z57008872 [0,1,0,1,0,0|1,0,0]=3 335 B15R2.1102 CC1=C(C=C2NC(=CC2=C1)C(=O)O)Cl Z3002859654 [0,1,0,1,0,0|2,0,0]=4 336 B15R2.1102 CC1=C(C=C2OC(=CC2=C1)C(=O)O)C Z1262544217 [0,1,0,1,0,0|2,0,0]=4 337 B15R2.1102 O=C(O)C1=CC2=C(N1)C=C(C(=C2)F)F Z1201621474 [0,1,0,1,0,0|2,0,0]=4 338 B15R2.1102 O=C(O)C1=CC2=C(S1)C=C(C(=C2)O)O Z1508955328 [0,1,0,1,0,0|0,0,0]=2 339 B11R1.20 CC(=O)NC1=CC=C(C=C1)O Z56946051 [1,0,0,0,1,0|2,0,0]=4 340 B11R1.20 CC(=O)OC1=CC=C(C=C1)O Z1198155166 [1,0,0,0,1,0|2,0,0]=4 341 B11R1.20 CC1=CC=C(C=C1)CC(=O)O Z104507548 [1,0,0,0,1,0|1,0,1]=4 342 B11R1.20 NC1=CC=C(C=C1)CC(=O)O Z104481066 [1,0,0,0,1,0|1,0,1]=4 343 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br Z90121253 [1,0,0,0,1,0|1,0,1]=4 344 B11R1.20 O=C(O)CC1=CC=C(C=C1)Cl Z104477676 [1,0,0,0,1,0|1,0,1]=4 345 B11R1.20 O=C(O)CC1=CC=C(C=C1)F Z104477312 [1,0,0,0,1,0|1,0,1]=4 346 B11R1.75 CC1=CC=C(O1)/C=C/C(=O)O Z2942851432 [1,0,0,0,1,0|2,0,0]=4 347 B11R1.75 CC1=CC=C(S1)/C=C/C(=O)O Z2942853021 [1,0,0,0,1,0|2,0,0]=4 348 B11R1.75 CN1C=CC(=C1)/C=C/C(=O)O Z2607872285 [1,0,0,0,1,0|2,0,0]=4 349 B11R1.75 O=C(O)/C=C/C1=CC(=CS1)Br Z2312944403 [1,0,0,0,1,0|2,0,0]=4 350 B11R1.75 O=C(O)/C=C/C1=CC=C(O1)Br Z2573652730 [1,0,0,0,1,0|2,0,0]=4 351 B11R1.75 O=C(O)/C=C/C1=CC=C(O1)Cl Z119989854 [1,0,0,0,1,0|2,0,0]=4 352 B11R1.75 O=C(O)/C=C/C1=CC=C(O1)I Z56792403 [1,0,0,0,1,0|2,0,0]=4 353 B11R1.75 O=C(O)/C=C/C1=CC=C(S1)Br Z2315579743 [1,0,0,0,1,0|2,0,0]=4 354 B11R1.75 O=C(O)/C=C/C1=CC=C(S1)Cl Z221300456 [1,0,0,0,1,0|2,0,0]=4 355 B11R1.75 O=C(O)/C=C/C1=CSC(=C1)Br Z2942853365 [1,0,0,0,1,0|2,0,0]=4 356 B11R1.90 CC1=C(SC=C1)/C=C/C(=O)O Z2942851704 [1,0,0,0,1,0|2,0,0]=4 357 B11R1.90 CN1C=CC=C1/C=C/C(=O)O Z2312400648 [1,0,0,0,1,0|2,0,0]=4 358 B11R1.157 CC(=O)NC1=CC(=CC=C1)O Z31717082 [1,0,0,0,1,0|2,0,0]=4 359 B11R1.157 NC(=O)CC1=CC(=CC=C1)O Z816010252 [1,0,0,0,1,0|1,0,1]=4 360 B11R1.157 NC(=O)NC1=CC(=CC=C1)O Z335810106 [1,0,0,0,1,0|2,0,0]=4 361 B11R1.157 NC1=CC(=CC=C1)CC(=O)O Z992267406 [1,0,0,0,1,0|1,0,1]=4 362 B11R1.157 O=C(O)CC1=CC(=CC=C1)Br Z285131530 [1,0,0,0,1,0|1,0,1]=4 363 B11R1.157 O=C(O)CC1=CC(=CC=C1)Cl Z285184608 [1,0,0,0,1,0|1,0,1]=4 364 B11R1.157 O=C(O)CC1=CC(=CC=C1)F Z104486030 [1,0,0,0,1,0|1,0,1]=4 365 B11R1.157 O=C(O)CC1=CC(=CC=C1)I Z1269113140 [1,0,0,0,1,0|1,0,1]=4 366 B11R1.157 O=C(O)CC1=CC(=CC=C1)O Z816000338 [1,0,0,0,1,0|0,0,1]=3 367 B11R1.157 O=C(O)CC1=CC(=CN=C1)O Z1255437243 [1,0,0,0,1,0|1,0,1]=4 368 B11R1.157 O=C(O)CC1=CC(=NC=C1)O Z5003228420 [1,0,0,0,1,0|1,0,1]=4 369 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)O Z1198169413 [0,0,0,0,2,0|2,0,0]=4 370 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)O Z1201626572 [0,0,0,0,2,0|2,0,0]=4 371 B11R1.21 CC(=O)C1=CC(=C(C=C1)N)O Z1198158301 [0,0,0,0,2,0|2,0,0]=4 372 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)Br Z1037557930 [0,0,0,0,2,0|2,0,0]=4 373 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)C Z57221419 [0,0,0,0,2,0|2,0,0]=4 374 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)Cl Z57905816 [0,0,0,0,2,0|2,0,0]=4 375 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)F Z385458772 [0,0,0,0,2,0|2,0,0]=4 376 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)N Z1664347745 [0,0,0,0,2,0|2,0,0]=4 377 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)O Z323032498 [0,0,0,0,2,0|2,0,0]=4 378 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)Br Z57204180 [0,0,0,0,2,0|2,0,0]=4 379 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C Z104477078 [0,0,0,0,2,0|2,0,0]=4 380 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)Cl Z1097117588 [0,0,0,0,2,0|2,0,0]=4 381 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F Z104510124 [0,0,0,0,2,0|2,0,0]=4 382 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I Z239685220 [0,0,0,0,2,0|2,0,0]=4 383 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)N Z57127001 [0,0,0,0,2,0|2,0,0]=4 384 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O Z166652050 [0,0,0,0,2,0|1,0,0]=3 385 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br Z1269154857 [0,0,0,0,2,0|2,0,0]=4 386 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl Z1201618086 [0,0,0,0,2,0|2,0,0]=4 387 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)F Z959335402 [0,0,0,0,2,0|2,0,0]=4 388 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)I Z239685242 [0,0,0,0,2,0|2,0,0]=4 389 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)N Z223458490 [0,0,0,0,2,0|2,0,0]=4 390 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O Z995149794 [0,0,0,0,2,0|1,0,0]=3 391 B11R1.21 CC1=C(N=C(C=C1)C(=O)O)O Z1255445643 [0,0,0,0,2,0|2,0,0]=4 392 B11R1.21 NC(=O)C1=CC(=C(C=C1)Br)O Z1269119521 [0,0,0,0,2,0|2,0,0]=4 393 B11R1.21 NC(=O)C1=CC(=C(C=C1)N)O Z1126161217 [0,0,0,0,2,0|2,0,0]=4 394 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)Cl Z68591301 [0,0,0,0,2,0|2,0,0]=4 395 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)F Z1255448698 [0,0,0,0,2,0|2,0,0]=4 396 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)O Z1198152898 [0,0,0,0,2,0|1,0,0]=3 397 B11R1.21 NC1=C(C=C(C=C1)C(=O)O)Br Z319214986 [0,0,0,0,2,0|2,0,0]=4 398 B11R1.21 NC1=C(C=C(C=C1)C(=O)O)Cl Z1082868852 [0,0,0,0,2,0|2,0,0]=4 399 B11R1.21 NC1=C(C=C(C=C1)C(=O)O)F Z756936498 [0,0,0,0,2,0|2,0,0]=4 400 B11R1.21 NC1=C(C=C(C=C1)C(=O)O)N Z104484514 [0,0,0,0,2,0|2,0,0]=4 401 B11R1.21 NC1=C(C=C(C=C1)C(=O)O)O Z431554234 [0,0,0,0,2,0|1,0,0]=3 402 B11R1.21 NC1=C(C=C(C=N1)C(=O)O)O Z3325079213 [0,0,0,0,2,0|2,0,0]=4 403 B11R1.21 NC1=C(C=CC(=C1)C(=O)O)Br Z57127000 [0,0,0,0,2,0|2,0,0]=4 404 B11R1.21 NC1=C(C=CC(=C1)C(=O)O)Cl Z104478358 [0,0,0,0,2,0|2,0,0]=4 405 B11R1.21 NC1=C(C=CC(=C1)C(=O)O)F Z283856672 [0,0,0,0,2,0|2,0,0]=4 406 B11R1.21 NC1=C(C=CC(=C1)C(=O)O)I Z1079174176 [0,0,0,0,2,0|2,0,0]=4 407 B11R1.21 NC1=C(C=CC(=N1)C(=O)O)O Z1198313022 [0,0,0,0,2,0|2,0,0]=4 408 B11R1.21 O=C(O)C1=CC(=C(C=C1)Br)Cl Z1269111039 [0,0,0,0,2,0|2,0,0]=4 409 B11R1.21 O=C(O)C1=CC(=C(C=C1)Br)F Z756477072 [0,0,0,0,2,0|2,0,0]=4 410 B11R1.21 O=C(O)C1=CC(=C(C=C1)Br)O Z1269234103 [0,0,0,0,2,0|1,0,0]=3 411 B11R1.21 O=C(O)C1=CC(=C(C=C1)Cl)Br Z1269180540 [0,0,0,0,2,0|2,0,0]=4 412 B11R1.21 O=C(O)C1=CC(=C(C=C1)Cl)Cl Z104474098 [0,0,0,0,2,0|2,0,0]=4 413 B11R1.21 O=C(O)C1=CC(=C(C=C1)Cl)F Z636292752 [0,0,0,0,2,0|2,0,0]=4 414 B11R1.21 O=C(O)C1=CC(=C(C=C1)Cl)I Z239685218 [0,0,0,0,2,0|2,0,0]=4 415 B11R1.21 O=C(O)C1=CC(=C(C=C1)Cl)O Z1201619372 [0,0,0,0,2,0|1,0,0]=3 416 B11R1.21 O=C(O)C1=CC(=C(C=C1)F)Br Z381356490 [0,0,0,0,2,0|2,0,0]=4 417 B11R1.21 O=C(O)C1=CC(=C(C=C1)F)Cl Z1203161796 [0,0,0,0,2,0|2,0,0]=4 418 B11R1.21 O=C(O)C1=CC(=C(C=C1)F)F Z104341246 [0,0,0,0,2,0|2,0,0]=4 419 B11R1.21 O=C(O)C1=CC(=C(C=C1)F)I Z1269207858 [0,0,0,0,2,0|2,0,0]=4 420 B11R1.21 O=C(O)C1=CC(=C(C=C1)F)O Z1203161962 [0,0,0,0,2,0|1,0,0]=3 421 B11R1.21 O=C(O)C1=CC(=C(C=C1)I)Br Z382582728 [0,0,0,0,2,0|2,0,0]=4 422 B11R1.21 O=C(O)C1=CC(=C(C=C1)I)Cl Z1269153522 [0,0,0,0,2,0|2,0,0]=4 423 B11R1.21 O=C(O)C1=CC(=C(C=C1)I)F Z1115194701 [0,0,0,0,2,0|2,0,0]=4 424 B11R1.21 O=C(O)C1=CC(=C(C=C1)I)I Z1269131507 [0,0,0,0,2,0|2,0,0]=4 425 B11R1.21 O=C(O)C1=CC(=C(C=C1)I)O Z1269202149 [0,0,0,0,2,0|1,0,0]=3 426 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)Br Z57985393 [0,0,0,0,2,0|1,0,0]=3 427 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)Cl Z104503564 [0,0,0,0,2,0|1,0,0]=3 428 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)F Z57073754 [0,0,0,0,2,0|1,0,0]=3 429 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)O Z104501142 [0,0,0,0,2,0|0,0,0]=2 430 B11R1.21 O=C(O)C1=CC(=C(C=C1)S)Br Z1269190145 [0,0,0,0,2,0|1,1,0]=4 431 B11R1.21 O=C(O)C1=CC(=C(N=C1)Br)O Z1269173146 [0,0,0,0,2,0|2,0,0]=4 432 B11R1.21 O=C(O)C1=CC(=C(N=C1)I)O Z1269115116 [0,0,0,0,2,0|2,0,0]=4 433 B11R1.21 O=C(O)C1=CC(=C(N=C1)O)F Z1255436475 [0,0,0,0,2,0|2,0,0]=4 434 B11R1.21 O=C(O)C1=CC(=O)N(C=C1)O Z3244880399 [0,0,0,0,2,0|1,0,1]=4 435 B11R1.21 O=C(O)C1=CC=C(C(=O)O1)O Z1262515745 [0,0,0,0,2,0|1,0,1]=4 436 B11R1.21 O=C(O)C1=CN(C(=O)C=C1)O Z1255463617 [0,0,0,0,2,0|1,0,1]=4 437 B11R1.21 O=C(O)C1=NC(=C(C=C1)Br)O Z1269135378 [0,0,0,0,2,0|2,0,0]=4 438 B11R1.21 O=C(O)C1=NC=C(C(=C1)O)Br Z1269108466 [0,0,0,0,2,0|2,0,0]=4 439 B11R1.21 O=[N+]([O-])C1=CC(=C(C=C1)O)O Z1255450010 [0,0,0,0,2,0|1,0,1]=4 440 B13R1.513 CC1=CC=C(C=C1)/C=C/CC(=O)O Z1374884612 [1,0,0,0,0,1|1,0,0]=3 441 B13R1.513 O=C(O)C/C=C/C1=CC=C(C=C1)Br Z2939850891 [1,0,0,0,0,1|1,0,0]=3 442 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)O Z1201617656 [1,0,0,0,0,1|0,0,2]=4 443 B13R1.149 O=C(O)C/C=C/C1=CC(=CC=C1)F Z1350606434 [1,0,0,0,0,1|1,0,0]=3