0 B10R1.66 C1=C(NC=N1)C=CC(=O)O I165655 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.66 C1=C(NC=N1)C=CC(=O)O T162071 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.66 C1=COC(=C1)C=CC(=O)O F103094 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.66 C1=COC(=C1)C=C[N+](=O)[O-] F186106 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.66 C1=COC(=C1)CCC(=O)O F188394 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.66 C1=COC(=C1)CNC(=O)N F339428 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.66 C1=COC=C1C=CC(=O)O T341153 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.66 C1=CSC(=C1)C=CC(=O)O T124452 [0,0,0,0,0,0|1,1,0]=2 8 B10R1.66 C1=CSC(=C1)C=CC(=O)O T162810 [0,0,0,0,0,0|1,1,0]=2 9 B10R1.66 C1=CSC(=C1)C=C[N+](=O)[O-] N159664 [0,0,0,0,0,0|2,1,0]=3 10 B10R1.66 C1=CSC(=C1)CCC(=O)O T472520 [0,0,0,0,0,0|1,1,2]=4 11 B10R1.66 C1=CSC=C1C=CC(=O)O E171720 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.66 CC(=O)C=CC1=CC=CO1 F156707 [0,0,0,0,0,0|0,0,0]=0 13 B10R1.66 CC(=O)OCC1=CC=CO1 F116599 [0,0,0,0,0,0|1,0,1]=2 14 B10R1.66 CC(=O)SCC1=CC=CO1 F103056 [0,0,0,0,0,0|1,0,1]=2 15 B10R1.66 CC(C)SCC1=CC=CO1 F133262 [0,0,0,0,0,0|2,0,2]=4 16 B9R1.12 C1=COC(=C1)C=CC=O F103082 [1,0,0,0,0,0|0,0,0]=1 17 B9R1.12 C1=COC(=C1)CN=C=O B301379 [1,0,0,0,0,0|1,0,2]=4 18 B9R1.12 C1=COC(=C1)CSC=O S161330 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.12 CCCCC1=CC=CO1 B152372 [1,0,0,0,0,0|0,0,3]=4 20 B9R1.12 CSSCC1=CC=CO1 F103101 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.25 CCC(=O)SCC1=CC=CO1 F464899 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.25 CCC(=O)SCC1=CC=CO1 S161331 [0,1,0,0,0,0|1,0,1]=3 23 B11R1.35 C1=COC(=C1)CC(C(=O)O)N H356423 [0,1,0,0,0,0|1,0,2]=4 24 B9R0.2 CC=CC=CCOC(=O)C I131995 [0,0,1,0,0,0|2,0,1]=4 25 B11R2.36 C1=CC(=NC2=C1NC=C2)Cl C124823 [0,0,0,1,0,0|3,0,0]=4 26 B11R2.36 C1=CC(=NC2=C1NC=C2)F F195603 [0,0,0,1,0,0|3,0,0]=4 27 B11R2.36 C1=CC(=NC2=C1SC=C2)Cl C177088 [0,0,0,1,0,0|2,1,0]=4 28 B11R2.36 C1=CC(=O)NC2=C1C=CN2 H589458 [0,0,0,1,0,0|3,0,0]=4 29 B11R2.36 C1=CC2=C(C=C1Br)N=CO2 B166962 [0,0,0,1,0,0|2,0,1]=4 30 B11R2.36 C1=CC2=C(C=C1Cl)N=CO2 C167876 [0,0,0,1,0,0|2,0,1]=4 31 B11R2.36 C1=CC2=C(C=CN2)C=C1Br B111473 [0,0,0,1,0,0|2,0,1]=4 32 B11R2.36 C1=CC2=C(C=CN2)C=C1Cl C119122 [0,0,0,1,0,0|2,0,1]=4 33 B11R2.36 C1=CC2=C(C=CN2)C=C1F F111474 [0,0,0,1,0,0|2,0,1]=4 34 B11R2.36 C1=CC2=C(C=CN2)C=C1I I122983 [0,0,0,1,0,0|2,0,1]=4 35 B11R2.36 C1=CC2=C(C=CN2)C=C1N A107386 [0,0,0,1,0,0|2,0,1]=4 36 B11R2.36 C1=CC2=C(C=CN2)C=C1O H105520 [0,0,0,1,0,0|1,0,2]=4 37 B11R2.36 C1=CC2=C(C=CO2)C=C1Br B168831 [0,0,0,1,0,0|1,0,1]=3 38 B11R2.36 C1=CC2=C(C=CS2)C=C1Br B101866 [0,0,0,1,0,0|1,1,1]=4 39 B11R2.36 C1=CC2=C(C=CS2)C=C1Cl C135346 [0,0,0,1,0,0|1,1,1]=4 40 B11R2.36 C1=CC2=NC=CN2NC1=O I171056 [0,0,0,1,0,0|3,0,0]=4 41 B11R2.36 C1=COC2=NC=C(C=C21)Br B182894 [0,0,0,1,0,0|2,0,1]=4 42 B11R2.36 CC1=CC2=C(C=C1)C=CN2 M107953 [0,0,0,1,0,0|3,0,0]=4 43 B11R2.36 CC1=CC2=C(C=C1)N=CN2 M158013 [0,0,0,1,0,0|3,0,0]=4 44 B11R2.36 CC1=CC2=C(C=C1)N=CS2 M588612 [0,0,0,1,0,0|3,0,0]=4 45 B11R2.36 CC1=CC2=C(C=C1)NC=C2 M113638 [0,0,0,1,0,0|2,0,0]=3 46 B11R2.36 CC1=CC2=C(C=C1)NN=C2 M121870 [0,0,0,1,0,0|3,0,0]=4 47 B11R2.36 CC1=CC2=C(C=C1)OC=N2 M158471 [0,0,0,1,0,0|2,0,0]=3 48 B11R2.36 CC1=CC2=C(C=C1)SC=C2 M158051 [0,0,0,1,0,0|1,1,0]=3 49 B11R2.36 CC1=CC2=C(NC=C2)N=C1 M134033 [0,0,0,1,0,0|3,0,0]=4 50 B11R2.36 CC1=NC2=C(C=C1)C=CN2 M195188 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.13 C1=CSC(=C1)CC(=O)Cl T107389 [0,0,0,0,1,0|1,1,1]=4 52 B9R1.13 C1=CSC(=C1)CC(=O)N T338182 [0,0,0,0,1,0|1,1,1]=4 53 B9R1.13 C1=CSC(=C1)CC(=O)O T113850 [0,0,0,0,1,0|1,1,1]=4 54 B9R1.13 CC(=O)NC1=NC=CS1 A151213 [0,0,0,0,1,0|2,1,0]=4 55 B11R1.91 C1=CC(=CN=C1)C=CC(=O)O P160635 [0,0,0,0,0,1|2,0,0]=3 56 B11R1.91 C1=CC(=CN=C1)C=CC(=O)O T138424 [0,0,0,0,0,1|2,0,0]=3 57 B11R1.91 C1=CC(=CN=C1)C=C[N+](=O)[O-] N159802 [0,0,0,0,0,1|3,0,0]=4 58 B11R1.91 C1=CC=C(C=C1)C=CC(=O)Cl C106841 [0,0,0,0,0,1|2,0,0]=3 59 B11R1.91 C1=CC=C(C=C1)C=CC(=O)Cl T347639 [0,0,0,0,0,1|2,0,0]=3 60 B11R1.91 C1=CC=C(C=C1)C=CC(=O)N C101731 [0,0,0,0,0,1|2,0,0]=3 61 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108494 [0,0,0,0,0,1|2,0,0]=3 62 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108495 [0,0,0,0,0,1|2,0,0]=3 63 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108496 [0,0,0,0,0,1|2,0,0]=3 64 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108497 [0,0,0,0,0,1|2,0,0]=3 65 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O P478163 [0,0,0,0,0,1|2,0,0]=3 66 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O T421496 [0,0,0,0,0,1|2,0,0]=3 67 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] C167677 [0,0,0,0,0,1|2,0,0]=3 68 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] C170870 [0,0,0,0,0,1|2,0,0]=3 69 B11R1.91 C1=CC=C(C=C1)C=C[N+](=O)[O-] N122699 [0,0,0,0,0,1|3,0,0]=4 70 B11R1.91 C1=CC=NC(=C1)C=CC(=O)O E189192 [0,0,0,0,0,1|2,0,0]=3 71 B11R1.91 C1=CN=CC=C1C=CC(=O)O P160631 [0,0,0,0,0,1|2,0,0]=3 72 B11R1.91 C1=CN=CC=C1C=CC(=O)O T189221 [0,0,0,0,0,1|2,0,0]=3 73 B11R1.91 C1=CN=CC=C1C=C[N+](=O)[O-] E586100 [0,0,0,0,0,1|3,0,0]=4 74 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P160127 [0,0,0,0,0,1|1,0,2]=4 75 B11R1.91 CC(=O)C=CC1=CC=CC=C1 P111783 [0,0,0,0,0,1|1,0,0]=2 76 B11R1.91 CC(=O)C=CC1=CC=CC=C1 P111784 [0,0,0,0,0,1|1,0,0]=2 77 B11R1.91 CC(=O)C=CC1=CC=CC=C1 T121970 [0,0,0,0,0,1|1,0,0]=2 78 B11R1.91 CC(=O)CCC1=CC=CC=C1 P106914 [0,0,0,0,0,1|1,0,2]=4 79 B11R1.91 CC(=O)COC1=CC=CC=C1 P160134 [0,0,0,0,0,1|2,0,1]=4 80 B11R1.91 CC(=O)NCC1=CC=CC=C1 N159297 [0,0,0,0,0,1|2,0,1]=4 81 B11R1.91 CC(=O)NNC1=CC=CC=C1 A100226 [0,0,0,0,0,1|3,0,0]=4 82 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109251 [0,0,0,0,0,1|2,0,1]=4 83 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109253 [0,0,0,0,0,1|2,0,1]=4 84 B8R0.9 CC(=O)C=CC(=O)OC M157976 [1,0,1,0,0,0|1,0,1]=4 85 B8R0.9 CC(=O)C=CC(=O)OC M464501 [1,0,1,0,0,0|1,0,1]=4 86 B8R1.8 C1=COC(=C1)C=NO F356785 [2,0,0,0,0,0|1,0,1]=4 87 B8R1.8 CCCC1=CC=CO1 P160277 [2,0,0,0,0,0|0,0,2]=4 88 B8R1.8 CNCC1=CC=CO1 I170508 [2,0,0,0,0,0|1,0,1]=4 89 B8R1.8 CSCC1=CC=CO1 F102908 [2,0,0,0,0,0|1,0,1]=4 90 B10R0.78 C=CCOC(=O)C=CC(=O)O A189086 [0,1,1,0,0,0|1,0,1]=4 91 B10R1.11 CCOC(=O)C1=CC=CO1 E156335 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.11 CCOC(=O)C1=CC=CO1 E302418 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.16 CC1=CC=C(O1)CCC=O M157833 [1,1,0,0,0,0|0,0,2]=4 94 B12R1.21 C1=CC(=CC=C1C=CC(=O)Cl)F F102168 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)Br B104888 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)Cl C100659 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)F F101928 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)N A151768 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C108514 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C108515 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304525 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304526 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304527 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O P424326 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O H169513 [0,1,0,0,0,1|1,0,0]=3 106 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O M100698 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M106187 [0,1,0,0,0,1|1,0,0]=3 108 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M167947 [0,1,0,0,0,1|1,0,0]=3 109 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M420410 [0,1,0,0,0,1|1,0,0]=3 110 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O M102145 [0,1,0,0,0,1|2,0,0]=4 111 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 B103859 [0,1,0,0,0,1|1,0,1]=4 112 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)Cl)Cl C300799 [0,1,0,0,0,1|2,0,0]=4 113 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Br B101936 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Cl C103595 [0,1,0,0,0,1|2,0,0]=4 115 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)F F101930 [0,1,0,0,0,1|2,0,0]=4 116 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)O H113425 [0,1,0,0,0,1|2,0,0]=4 117 B12R1.125 CC1=CC=CC=C1C=CC(=O)O M158080 [0,1,0,0,0,1|2,0,0]=4 118 B12R1.226 C1=CC(=CC(=C1)Br)C=CC(=O)O B101938 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.226 C1=CC(=CC(=C1)Br)C=CC(=O)O T162205 [0,1,0,0,0,1|2,0,0]=4 120 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O C101735 [0,1,0,0,0,1|2,0,0]=4 121 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O C485689 [0,1,0,0,0,1|2,0,0]=4 122 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O F156726 [0,1,0,0,0,1|2,0,0]=4 123 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O I168436 [0,1,0,0,0,1|2,0,0]=4 124 B12R1.226 C1=CC(=CC(=C1)N)C=CC(=O)O E405645 [0,1,0,0,0,1|2,0,0]=4 125 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O H100569 [0,1,0,0,0,1|2,0,0]=4 126 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O M158083 [0,1,0,0,0,1|2,0,0]=4 127 B12R1.59 CC(=O)OCC1=CC=C(O1)C=O A151025 [0,2,0,0,0,0|1,0,1]=4 128 B10R1.18 CC(=CC1=CC=CC=C1)C M158507 [0,0,1,1,0,0|2,0,0]=4 129 B10R1.18 CC(=O)CC1=CN=CC=C1 A355123 [0,0,1,1,0,0|1,0,1]=4 130 B10R1.18 CC(=O)NC1=CC=CC=C1 A103954 [0,0,1,1,0,0|2,0,0]=4 131 B10R1.18 CC(=O)NC1=CC=CC=C1 A103955 [0,0,1,1,0,0|2,0,0]=4 132 B10R1.18 CC(=O)NC1=CC=CC=C1 A103956 [0,0,1,1,0,0|2,0,0]=4 133 B10R1.18 CC(=O)NC1=CC=CC=C1 A103957 [0,0,1,1,0,0|2,0,0]=4 134 B10R1.18 CC(=O)NC1=CC=CC=C1 A119548 [0,0,1,1,0,0|2,0,0]=4 135 B10R1.18 CC(=O)NC1=CC=CC=N1 A151788 [0,0,1,1,0,0|2,0,0]=4 136 B10R1.18 CC(=O)NC1=CN=CC=C1 A151789 [0,0,1,1,0,0|2,0,0]=4 137 B10R1.18 CC(=O)OC1=CC=CC=C1 P108579 [0,0,1,1,0,0|2,0,0]=4 138 B10R1.18 CC(=O)OC1=CC=CC=C1 P342578 [0,0,1,1,0,0|2,0,0]=4 139 B10R1.18 CC(=O)OC1=CN=CC=C1 A151785 [0,0,1,1,0,0|2,0,0]=4 140 B10R1.18 CC(=O)SC1=CC=CC=C1 P101831 [0,0,1,1,0,0|2,0,0]=4 141 B10R1.61 C1=CC(=C(N=C1)C(=O)N)O H156936 [0,0,1,1,0,0|2,0,0]=4 142 B10R1.61 C1=CC(=C(N=C1)C(=O)O)O H137085 [0,0,1,1,0,0|2,0,0]=4 143 B10R1.61 C1=CC(=C(N=C1)C(=O)O)O H426608 [0,0,1,1,0,0|2,0,0]=4 144 B10R1.61 C1=CC(=C(N=C1)C(=O)O)O V275230 [0,0,1,1,0,0|2,0,0]=4 145 B10R1.61 C1=CC=C(C(=C1)C(=O)Cl)Br B152052 [0,0,1,1,0,0|2,0,0]=4 146 B10R1.61 C1=CC=C(C(=C1)C(=O)Cl)Cl C109066 [0,0,1,1,0,0|2,0,0]=4 147 B10R1.61 C1=CC=C(C(=C1)C(=O)Cl)F F110264 [0,0,1,1,0,0|2,0,0]=4 148 B10R1.61 C1=CC=C(C(=C1)C(=O)Cl)I I157678 [0,0,1,1,0,0|2,0,0]=4 149 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br B152337 [0,0,1,1,0,0|2,0,0]=4 150 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl C136207 [0,0,1,1,0,0|2,0,0]=4 151 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F F156684 [0,0,1,1,0,0|2,0,0]=4 152 B10R1.61 C1=CC=C(C(=C1)C(=O)N)I I157615 [0,0,1,1,0,0|2,0,0]=4 153 B10R1.61 C1=CC=C(C(=C1)C(=O)N)N A107203 [0,0,1,1,0,0|2,0,0]=4 154 B10R1.61 C1=CC=C(C(=C1)C(=O)N)O S110553 [0,0,1,1,0,0|1,0,0]=3 155 B10R1.61 C1=CC=C(C(=C1)C(=O)N)O S425306 [0,0,1,1,0,0|1,0,0]=3 156 B10R1.61 C1=CC=C(C(=C1)C(=O)O)Br B108507 [0,0,1,1,0,0|2,0,0]=4 157 B10R1.61 C1=CC=C(C(=C1)C(=O)O)Cl C112608 [0,0,1,1,0,0|2,0,0]=4 158 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F F156750 [0,0,1,1,0,0|2,0,0]=4 159 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I I105094 [0,0,1,1,0,0|2,0,0]=4 160 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S104158 [0,0,1,1,0,0|1,0,0]=3 161 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S104162 [0,0,1,1,0,0|1,0,0]=3 162 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S118533 [0,0,1,1,0,0|1,0,0]=3 163 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S128322 [0,0,1,1,0,0|1,0,0]=3 164 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S425578 [0,0,1,1,0,0|1,0,0]=3 165 B10R1.61 C1=CC=C(C(=C1)C(=O)O)S T104175 [0,0,1,1,0,0|1,1,0]=4 166 B10R1.61 C1=CC=C(C(=C1)C(=O)O)[O-] A589374 [0,0,1,1,0,0|1,0,1]=4 167 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])F S184749 [0,0,1,1,0,0|2,0,0]=4 168 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O L113213 [0,0,1,1,0,0|1,0,0]=3 169 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O L113214 [0,0,1,1,0,0|1,0,0]=3 170 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O P341861 [0,0,1,1,0,0|1,0,0]=3 171 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O S104176 [0,0,1,1,0,0|1,0,0]=3 172 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O S104179 [0,0,1,1,0,0|1,0,0]=3 173 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O S305325 [0,0,1,1,0,0|1,0,0]=3 174 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])S S161094 [0,0,1,1,0,0|1,1,0]=4 175 B10R1.61 C1=CC=C(C(=C1)[N+](=O)[O-])O N102115 [0,0,1,1,0,0|2,0,0]=4 176 B10R1.61 C1=CC=C(C(=C1)[N+](=O)[O-])O N102124 [0,0,1,1,0,0|2,0,0]=4 177 B10R1.61 C1=CC=C(C(=C1)[N+](=O)[O-])O N102125 [0,0,1,1,0,0|2,0,0]=4 178 B10R1.61 C1=CN=CC(=C1C(=O)O)O H137930 [0,0,1,1,0,0|2,0,0]=4 179 B10R1.61 CC(=C)C1=CC=CC=C1N I170789 [0,0,1,1,0,0|2,0,0]=4 180 B10R1.61 CC(=O)C1=C(C=CC=N1)Cl C173299 [0,0,1,1,0,0|2,0,0]=4 181 B10R1.61 CC(=O)C1=C(N=CC=C1)Br A128913 [0,0,1,1,0,0|2,0,0]=4 182 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl A138997 [0,0,1,1,0,0|2,0,0]=4 183 B10R1.61 CC(=O)C1=CC=CC=C1Br B121858 [0,0,1,1,0,0|1,0,0]=3 184 B10R1.61 CC(=O)C1=CC=CC=C1Cl C104178 [0,0,1,1,0,0|1,0,0]=3 185 B10R1.61 CC(=O)C1=CC=CC=C1F F100898 [0,0,1,1,0,0|1,0,0]=3 186 B10R1.61 CC(=O)C1=CC=CC=C1I I138485 [0,0,1,1,0,0|1,0,0]=3 187 B10R1.61 CC(=O)C1=CC=CC=C1N A107199 [0,0,1,1,0,0|1,0,0]=3 188 B10R1.61 CC(=O)C1=CC=CC=C1N A123238 [0,0,1,1,0,0|1,0,0]=3 189 B10R1.61 CC(=O)C1=CC=CC=C1O H106327 [0,0,1,1,0,0|0,0,0]=2 190 B10R1.61 CC(=O)C1=CC=CC=C1O H420837 [0,0,1,1,0,0|0,0,0]=2 191 B10R1.61 CC(C)C1=CC=CC=C1O I157538 [0,0,1,1,0,0|1,0,1]=4 192 B10R1.61 CC1=C(N=CC=C1)C(=O)C E491191 [0,0,1,1,0,0|2,0,0]=4 193 B10R1.61 CC1=CC=CC=C1C(=C)C I157557 [0,0,1,1,0,0|2,0,0]=4 194 B10R1.61 CC1=CC=CC=C1C(=O)C M106449 [0,0,1,1,0,0|1,0,0]=3 195 B10R1.61 CC1=CC=CC=C1C(=O)Cl T107411 [0,0,1,1,0,0|2,0,0]=4 196 B10R1.61 CC1=CC=CC=C1C(=O)Cl T298980 [0,0,1,1,0,0|2,0,0]=4 197 B10R1.61 CC1=CC=CC=C1C(=O)N M472492 [0,0,1,1,0,0|2,0,0]=4 198 B10R1.61 CC1=CC=CC=C1C(=O)O O420836 [0,0,1,1,0,0|2,0,0]=4 199 B10R1.61 CC1=CC=CC=C1C(=O)O T104307 [0,0,1,1,0,0|2,0,0]=4 200 B10R1.61 CS(=O)C1=CC=CC=C1Br B405198 [0,0,1,1,0,0|2,0,0]=4 201 B10R1.61 OC(=O)C1=CC=CC=C1O S408836 [0,0,1,1,0,0|1,0,0]=3 202 B10R1.1 CC1=CC=C(C=C1)CC=C A169644 [0,0,1,1,0,0|2,0,0]=4 203 B10R1.30 CC1=CC(=C(C=C1)C)C=C D168401 [0,0,1,1,0,0|2,0,0]=4 204 B10R1.30 CC1=CC(=C(C=C1)O)C=O M157866 [0,0,1,1,0,0|2,0,0]=4 205 B10R1.59 CC1=CC(=C(O1)C)C(=O)C A151396 [0,0,1,1,0,0|0,0,2]=4 206 B10R1.113 C1=C(C=NC=C1O)C(=O)O H128109 [0,0,1,1,0,0|2,0,0]=4 207 B10R1.113 C1=CC(=CC(=C1)Br)C(=O)Cl B101887 [0,0,1,1,0,0|2,0,0]=4 208 B10R1.113 C1=CC(=CC(=C1)Br)C(=O)N B152344 [0,0,1,1,0,0|2,0,0]=4 209 B10R1.113 C1=CC(=CC(=C1)Br)C(=O)O B109683 [0,0,1,1,0,0|2,0,0]=4 210 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)Cl C106156 [0,0,1,1,0,0|2,0,0]=4 211 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)Cl C129117 [0,0,1,1,0,0|2,0,0]=4 212 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N C153726 [0,0,1,1,0,0|2,0,0]=4 213 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O C104330 [0,0,1,1,0,0|2,0,0]=4 214 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl F110292 [0,0,1,1,0,0|2,0,0]=4 215 B10R1.113 C1=CC(=CC(=C1)F)C(=O)N F156683 [0,0,1,1,0,0|2,0,0]=4 216 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O F107118 [0,0,1,1,0,0|2,0,0]=4 217 B10R1.113 C1=CC(=CC(=C1)F)C(=O)[O-] S358727 [0,0,1,1,0,0|2,0,0]=4 218 B10R1.113 C1=CC(=CC(=C1)I)C(=O)Cl I157680 [0,0,1,1,0,0|2,0,0]=4 219 B10R1.113 C1=CC(=CC(=C1)I)C(=O)N I404597 [0,0,1,1,0,0|2,0,0]=4 220 B10R1.113 C1=CC(=CC(=C1)I)C(=O)O I104409 [0,0,1,1,0,0|2,0,0]=4 221 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N A107207 [0,0,1,1,0,0|2,0,0]=4 222 B10R1.113 C1=CC(=CC(=C1)N)C(=O)O A104352 [0,0,1,1,0,0|2,0,0]=4 223 B10R1.113 C1=CC(=CC(=C1)N)C(=O)O A137766 [0,0,1,1,0,0|2,0,0]=4 224 B10R1.113 C1=CC(=CC(=C1)O)C(=O)N H404550 [0,0,1,1,0,0|1,0,0]=3 225 B10R1.113 C1=CC(=CC(=C1)O)C(=O)O H104349 [0,0,1,1,0,0|1,0,0]=3 226 B10R1.113 C1=CC(=CC(=C1)O)C(=O)O H427216 [0,0,1,1,0,0|1,0,0]=3 227 B10R1.113 C1=CC(=CC(=C1)O)C(=O)[O-] S161402 [0,0,1,1,0,0|1,0,0]=3 228 B10R1.113 C1=CC(=CC(=C1)O)[N+](=O)[O-] N100695 [0,0,1,1,0,0|2,0,0]=4 229 B10R1.113 C1=CC(=CC(=C1)O)[N+](=O)[O-] N100696 [0,0,1,1,0,0|2,0,0]=4 230 B10R1.113 C1=CC(=CC(=C1)O)[N+](=O)[O-] N100697 [0,0,1,1,0,0|2,0,0]=4 231 B10R1.113 C1=CC(=CC(=C1)O)[N+](=O)[O-] N100700 [0,0,1,1,0,0|2,0,0]=4 232 B10R1.113 C1=CC(=CC(=C1)O)[N+](=O)[O-] N299246 [0,0,1,1,0,0|2,0,0]=4 233 B10R1.113 C1=CC(=CC(=C1)O)[N+](=O)[O-] N349025 [0,0,1,1,0,0|2,0,0]=4 234 B10R1.113 C1=CC(=CC(=C1)O)[N+](=O)[O-] N396567 [0,0,1,1,0,0|2,0,0]=4 235 B10R1.113 C1=CC(=CC(=C1)S)C(=O)O M101798 [0,0,1,1,0,0|1,1,0]=4 236 B10R1.113 CC(=O)C1=CC(=CC=C1)Br B106964 [0,0,1,1,0,0|1,0,0]=3 237 B10R1.113 CC(=O)C1=CC(=CC=C1)Cl C139514 [0,0,1,1,0,0|1,0,0]=3 238 B10R1.113 CC(=O)C1=CC(=CC=C1)F F122012 [0,0,1,1,0,0|1,0,0]=3 239 B10R1.113 CC(=O)C1=CC(=CC=C1)F F299100 [0,0,1,1,0,0|1,0,0]=3 240 B10R1.113 CC(=O)C1=CC(=CC=C1)I I122014 [0,0,1,1,0,0|1,0,0]=3 241 B10R1.113 CC(=O)C1=CC(=CC=C1)N A107200 [0,0,1,1,0,0|1,0,0]=3 242 B10R1.113 CC(=O)C1=CC(=CC=C1)O H106329 [0,0,1,1,0,0|0,0,0]=2 243 B10R1.113 CC(=O)C1=CC(=CN=C1)Br B107717 [0,0,1,1,0,0|2,0,0]=4 244 B10R1.113 CC(=O)C1=CC(=NC=C1)Cl C135382 [0,0,1,1,0,0|2,0,0]=4 245 B10R1.113 CC(=O)C1=C[N+](=CC=C1)[O-] A151453 [0,0,1,1,0,0|1,0,1]=4 246 B10R1.113 CC(=O)C1=NC(=CC=C1)Br A115764 [0,0,1,1,0,0|2,0,0]=4 247 B10R1.113 CC(=O)C1=NC=CC(=C1)Br B586273 [0,0,1,1,0,0|2,0,0]=4 248 B10R1.113 CC(C)C1=CC(=CC=C1)O I136677 [0,0,1,1,0,0|1,0,1]=4 249 B10R1.113 CC(C1=CC(=CC=C1)O)O H157331 [0,0,1,1,0,0|0,0,2]=4 250 B10R1.113 CC1=CC(=CC=C1)C(=C)C D302222 [0,0,1,1,0,0|2,0,0]=4 251 B10R1.113 CC1=CC(=CC=C1)C(=O)C M122466 [0,0,1,1,0,0|1,0,0]=3 252 B10R1.113 CC1=CC(=CC=C1)C(=O)Cl T101293 [0,0,1,1,0,0|2,0,0]=4 253 B10R1.113 CC1=CC(=CC=C1)C(=O)Cl T299642 [0,0,1,1,0,0|2,0,0]=4 254 B10R1.113 CC1=CC(=CC=C1)C(=O)N B300415 [0,0,1,1,0,0|2,0,0]=4 255 B10R1.113 CC1=CC(=CC=C1)C(=O)O T112606 [0,0,1,1,0,0|2,0,0]=4 256 B10R1.113 CC1=CC(=NC=C1)C(=O)C A115766 [0,0,1,1,0,0|2,0,0]=4 257 B10R1.113 CC1=NC(=CC=C1)C(=O)C A194623 [0,0,1,1,0,0|2,0,0]=4 258 B10R1.113 CN(C)C1=CC(=CC=C1)O D124561 [0,0,1,1,0,0|2,0,0]=4 259 B10R2.7 C1=CC2=C(C=CN2)N=C1 H135749 [1,0,0,1,0,0|2,0,0]=4 260 B10R2.7 C1=CC=C2C(=C1)C=CN2 I104724 [1,0,0,1,0,0|1,0,1]=4 261 B10R2.7 C1=CC=C2C(=C1)C=CN2 I104725 [1,0,0,1,0,0|1,0,1]=4 262 B10R2.7 C1=CC=C2C(=C1)C=CN2 I104726 [1,0,0,1,0,0|1,0,1]=4 263 B10R2.7 C1=CC=C2C(=C1)C=CN2 I104728 [1,0,0,1,0,0|1,0,1]=4 264 B10R2.7 C1=CC=C2C(=C1)C=CN2 I420909 [1,0,0,1,0,0|1,0,1]=4 265 B10R2.7 C1=CC=C2C(=C1)C=CO2 B107470 [1,0,0,1,0,0|0,0,1]=3 266 B10R2.7 C1=CC=C2C(=C1)C=CS2 B107023 [1,0,0,1,0,0|0,1,1]=4 267 B10R2.7 C1=CC=C2C(=C1)C=NO2 B151955 [1,0,0,1,0,0|1,0,1]=4 268 B10R2.7 C1=CC=C2C(=C1)N=CO2 B152628 [1,0,0,1,0,0|1,0,1]=4 269 B10R2.7 C1C=CC2=CC=CC=C21 I105567 [1,0,0,1,0,0|1,0,1]=4 270 B10R2.7 C1C=CC2=CC=CC=C21 I105568 [1,0,0,1,0,0|1,0,1]=4 271 B10R2.7 C1C=CC2=CC=CC=C21 I105569 [1,0,0,1,0,0|1,0,1]=4 272 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)N2 Q160822 [0,0,0,1,0,1|2,0,0]=4 273 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104161 [0,0,0,1,0,1|2,0,0]=4 274 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104165 [0,0,0,1,0,1|2,0,0]=4 275 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104166 [0,0,0,1,0,1|2,0,0]=4 276 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C357823 [0,0,0,1,0,1|2,0,0]=4 277 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C426918 [0,0,0,1,0,1|2,0,0]=4 278 B12R2.24 CC1=CC2=C(C=C1)C=NC=C2 M184470 [0,0,0,1,0,1|2,0,0]=4 279 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 M109545 [0,0,0,1,0,1|2,0,0]=4 280 B12R2.24 CC1=CC2=C(C=CC=N2)C=C1 M110340 [0,0,0,1,0,1|2,0,0]=4 281 B12R2.24 CC1=CC2=CC=CC=C2C=C1 M104862 [0,0,0,1,0,1|2,0,0]=4 282 B12R2.24 CC1=CC2=CC=CC=C2C=C1 M119488 [0,0,0,1,0,1|2,0,0]=4 283 B12R2.24 CC1=CC2=NC=CN=C2C=C1 M185714 [0,0,0,1,0,1|2,0,0]=4 284 B12R2.24 CC1=NC2=C(C=C1)N=CC=C2 M177403 [0,0,0,1,0,1|2,0,0]=4 285 B12R2.24 CC1=NC2=C(C=CC=N2)C=C1 M138309 [0,0,0,1,0,1|2,0,0]=4 286 B12R2.24 CC1=NC2=CC=CC=C2C=C1 Q107985 [0,0,0,1,0,1|2,0,0]=4 287 B12R2.44 C1=CC2=C(C=CN2)C=C1C=O I115574 [0,1,0,1,0,0|1,0,1]=4 288 B12R2.44 C1=CC2=C(C=CN2)C=C1CN A136890 [0,1,0,1,0,0|2,0,0]=4 289 B12R2.44 C1=CC2=C(C=CN2)C=C1CO I179295 [0,1,0,1,0,0|2,0,0]=4 290 B12R2.44 C1=CC2=C(C=CO2)C=C1C=O B189275 [0,1,0,1,0,0|0,0,1]=3 291 B12R2.44 COC1=CC2=C(C=C1)NC=C2 M111475 [0,1,0,1,0,0|2,0,0]=4 292 B12R2.44 COC1=NC2=C(C=C1)NC=C2 M138367 [0,1,0,1,0,0|2,0,0]=4 293 B12R2.252 C1=CSC2=C1SC(=C2)C(=O)O T162471 [0,1,0,1,0,0|1,1,0]=4 294 B12R2.132 CC1=CC2=C(C=C1)SC=C2C D101865 [0,1,0,1,0,0|1,1,0]=4 295 B12R2.606 CC1=CC2=C(C=C1)NC(=C2)C D119112 [0,1,0,1,0,0|2,0,0]=4 296 B12R2.606 CC1=CC2=C(C=C1)OC(=N2)C D135194 [0,1,0,1,0,0|2,0,0]=4 297 B12R2.246 C1=COC2=C(C=C(C=C21)F)Br B356427 [0,1,0,1,0,0|1,0,1]=4 298 B8R1.7 C1=C(OC=N1)C(=O)O O138079 [0,0,0,0,2,0|2,0,0]=4 299 B8R1.7 C1=C(ON=C1)C(=O)Cl I469461 [0,0,0,0,2,0|2,0,0]=4 300 B8R1.7 C1=C(ON=C1)C(=O)O I121616 [0,0,0,0,2,0|2,0,0]=4 301 B8R1.7 C1=CNC(=C1)C(=O)O P106858 [0,0,0,0,2,0|2,0,0]=4 302 B8R1.7 C1=COC(=C1)C(=N)N F356787 [0,0,0,0,2,0|2,0,0]=4 303 B8R1.7 C1=COC(=C1)C(=O)Cl F107848 [0,0,0,0,2,0|1,0,0]=3 304 B8R1.7 C1=COC(=C1)C(=O)N F404495 [0,0,0,0,2,0|1,0,0]=3 305 B8R1.7 C1=COC(=C1)C(=O)O F111223 [0,0,0,0,2,0|1,0,0]=3 306 B8R1.7 C1=COC(=C1)C(=O)O F426656 [0,0,0,0,2,0|1,0,0]=3 307 B8R1.7 C1=CSC(=C1)C(=O)Cl T162807 [0,0,0,0,2,0|1,1,0]=4 308 B8R1.7 C1=CSC(=C1)C(=O)Cl T471243 [0,0,0,0,2,0|1,1,0]=4 309 B8R1.7 C1=CSC(=C1)C(=O)N T162813 [0,0,0,0,2,0|1,1,0]=4 310 B8R1.7 C1=CSC(=C1)C(=O)O T107125 [0,0,0,0,2,0|1,1,0]=4 311 B8R1.7 C1=CSC(=C1)C(=O)[O-] C115572 [0,0,0,0,2,0|1,1,0]=4 312 B8R1.7 CC(=C1C=CC=C1)C D168651 [0,0,0,0,2,0|2,0,0]=4 313 B8R1.7 CC(=O)C1=CC=CN1 A113378 [0,0,0,0,2,0|1,0,0]=3 314 B8R1.7 CC(=O)C1=CC=CO1 F106238 [0,0,0,0,2,0|0,0,0]=2 315 B8R1.7 CC(=O)C1=CC=CS1 A109378 [0,0,0,0,2,0|0,1,0]=3 316 B8R1.7 CC(=O)C1=CC=NN1 H588033 [0,0,0,0,2,0|2,0,0]=4 317 B8R1.7 CC(=O)C1=CN=CN1 A194232 [0,0,0,0,2,0|2,0,0]=4 318 B8R1.7 CC(=O)C1=CNC=C1 A179139 [0,0,0,0,2,0|2,0,0]=4 319 B8R1.7 CC(=O)C1=CSC=C1 A111250 [0,0,0,0,2,0|2,0,0]=4 320 B8R1.7 CC(=O)C1=NC=CS1 A124071 [0,0,0,0,2,0|1,1,0]=4 321 B8R1.7 CC(C1=CC=CO1)O R588542 [0,0,0,0,2,0|0,0,2]=4 322 B8R1.7 CC(C1=CC=CO1)O x170274 [0,0,0,0,2,0|0,0,2]=4 323 B10R1.17 C1=CC(=CN=C1)C=CC=O T347360 [1,0,0,0,0,1|1,0,0]=3 324 B10R1.17 C1=CC=C(C=C1)C=CC=O C108630 [1,0,0,0,0,1|1,0,0]=3 325 B10R1.17 C1=CC=C(C=C1)C=CC=O C108631 [1,0,0,0,0,1|1,0,0]=3 326 B10R1.17 C1=CC=C(C=C1)C=CC=O C110083 [1,0,0,0,0,1|1,0,0]=3 327 B10R1.17 C1=CC=C(C=C1)C=CC=O C110084 [1,0,0,0,0,1|1,0,0]=3 328 B10R1.17 C1=CC=C(C=C1)C=CC=O T421609 [1,0,0,0,0,1|1,0,0]=3 329 B10R1.17 C=CC=CC1=CC=CC=C1 P305147 [1,0,0,0,0,1|1,0,1]=4 330 B12R1.252 C1=CC=C(C=C1)C=CCC(=O)O I168223 [0,0,0,0,0,2|2,0,0]=4