0 B8R1.1 C1=C(N=C(S1)Br)C=O B137621 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.1 C1=C(N=C(S1)C=O)Br W137491 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.1 C1=C(NC=C1Br)C=O B590754 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.1 C1=C(OC(=C1)Br)C=O B111879 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.1 C1=C(OC(=C1)Cl)C=O D303050 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.1 C1=C(OC=C1Br)C=O B151893 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.1 C1=C(SC(=C1)Br)C#N B137524 [0,0,0,0,0,0|2,1,1]=4 7 B8R1.1 C1=C(SC(=C1)Br)C=O B101864 [0,0,0,0,0,0|1,1,0]=2 8 B8R1.1 C1=C(SC(=C1)Br)CN B171578 [0,0,0,0,0,0|2,1,1]=4 9 B8R1.1 C1=C(SC(=C1)Cl)C#N C170641 [0,0,0,0,0,0|2,1,1]=4 10 B8R1.1 C1=C(SC(=C1)Cl)C=O C123084 [0,0,0,0,0,0|1,1,0]=2 11 B8R1.1 C1=C(SC(=C1)Cl)CN A489444 [0,0,0,0,0,0|2,1,1]=4 12 B8R1.1 C1=C(SC(=C1)Cl)CN C176759 [0,0,0,0,0,0|2,1,1]=4 13 B8R1.1 C1=C(SC(=C1)Cl)CO C177325 [0,0,0,0,0,0|1,1,2]=4 14 B8R1.1 C1=C(SC(=N1)Cl)C=O C139486 [0,0,0,0,0,0|2,1,0]=3 15 B8R1.1 C1=C(SC(=N1)N)C=O A165357 [0,0,0,0,0,0|2,1,0]=3 16 B8R1.1 C1=C(SC(=N1)N)C=O A195849 [0,0,0,0,0,0|2,1,0]=3 17 B8R1.1 C1=C(SC=C1Br)C=O B153194 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.1 CC1=CC(=NO1)C=O M171227 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.1 CC1=CC=C(N1)C=O M586541 [0,0,0,0,0,0|1,0,0]=1 20 B8R1.1 CC1=CC=C(O1)C=O M102952 [0,0,0,0,0,0|0,0,0]=0 21 B8R1.1 CC1=CC=C(O1)C=O M425132 [0,0,0,0,0,0|0,0,0]=0 22 B8R1.1 CC1=CC=C(O1)CN M158539 [0,0,0,0,0,0|1,0,1]=2 23 B8R1.1 CC1=CC=C(O1)CO M189133 [0,0,0,0,0,0|0,0,2]=2 24 B8R1.1 CC1=CC=C(O1)SC M133227 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.1 CC1=CC=C(S1)C#N M177298 [0,0,0,0,0,0|1,1,1]=3 26 B8R1.1 CC1=CC=C(S1)C=O M157937 [0,0,0,0,0,0|0,1,0]=1 27 B8R1.1 CC1=CN=C(N1)C=O M166023 [0,0,0,0,0,0|2,0,0]=2 28 B8R1.1 CC1=CSC(=C1)C=O M171140 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.1 CC1=CSC(=N1)C=O W131880 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.1 CC1=NC(=CO1)C=O W132350 [0,0,0,0,0,0|2,0,0]=2 31 B8R1.1 CC1=NC(=CS1)C=O W133174 [0,0,0,0,0,0|2,0,0]=2 32 B8R1.1 CC1=NC=C(S1)C=O M586094 [0,0,0,0,0,0|1,1,0]=2 33 B8R1.1 CCC1=NC(=CS1)C E124072 [0,0,0,0,0,0|3,0,1]=4 34 B8R1.1 CCC1=NC=C(N1)C E104846 [0,0,0,0,0,0|3,0,1]=4 35 B8R1.1 CN1C=C(C=N1)C=O M137134 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.1 CN1C=CC(=N1)CN M589648 [0,0,0,0,0,0|3,0,1]=4 37 B8R1.1 CN1C=CC(=N1)CO M177588 [0,0,0,0,0,0|2,0,2]=4 38 B7R1.1 C#CC1=CC=CS1 E107746 [1,0,0,0,0,0|1,1,1]=4 39 B7R1.1 C1=C(C=NN1)C=O H172485 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.1 C1=C(C=NN1)C=O H176240 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.1 C1=C(N=CO1)C=O O159993 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.1 C1=C(N=CS1)C=O T135085 [1,0,0,0,0,0|2,0,0]=3 43 B7R1.1 C1=C(NC=N1)C=O I124241 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.1 C1=C(NN=C1)C=O P140216 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.1 C1=C(SC=N1)C=O W132585 [1,0,0,0,0,0|1,1,0]=3 46 B7R1.1 C1=CNC(=C1)C#N H134165 [1,0,0,0,0,0|2,0,1]=4 47 B7R1.1 C1=CNC(=C1)C=O P123130 [1,0,0,0,0,0|1,0,0]=2 48 B7R1.1 C1=COC(=C1)C#N F139092 [1,0,0,0,0,0|1,0,1]=3 49 B7R1.1 C1=COC(=C1)C=O F100546 [1,0,0,0,0,0|0,0,0]=1 50 B7R1.1 C1=COC(=C1)C=O F100547 [1,0,0,0,0,0|0,0,0]=1 51 B7R1.1 C1=COC(=C1)C=O F100548 [1,0,0,0,0,0|0,0,0]=1 52 B7R1.1 C1=COC(=C1)C=O F336820 [1,0,0,0,0,0|0,0,0]=1 53 B7R1.1 C1=COC(=C1)CN F111778 [1,0,0,0,0,0|1,0,1]=3 54 B7R1.1 C1=COC(=C1)CN F493732 [1,0,0,0,0,0|1,0,1]=3 55 B7R1.1 C1=COC(=C1)CO F110603 [1,0,0,0,0,0|0,0,2]=3 56 B7R1.1 C1=COC(=C1)CO F110604 [1,0,0,0,0,0|0,0,2]=3 57 B7R1.1 C1=COC(=C1)CS F102900 [1,0,0,0,0,0|0,1,1]=3 58 B7R1.1 C1=COC=C1C=O F122652 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.1 C1=CSC(=C1)C#N C153351 [1,0,0,0,0,0|1,1,1]=4 60 B7R1.1 C1=CSC(=C1)C=O T107122 [1,0,0,0,0,0|0,1,0]=2 61 B7R1.1 C1=CSC(=C1)CN T107120 [1,0,0,0,0,0|1,1,1]=4 62 B7R1.1 C1=CSC(=C1)CO T162809 [1,0,0,0,0,0|0,1,2]=4 63 B7R1.1 C1=CSC(=C1)CS T134394 [1,0,0,0,0,0|0,2,1]=4 64 B7R1.1 C1=CSC(=N1)C=O T107968 [1,0,0,0,0,0|1,1,0]=3 65 B7R1.1 C1=CSC=C1C=O T115194 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.1 C1CC=C(C1)C=O C304145 [1,0,0,0,0,0|1,0,2]=4 67 B7R1.1 C=CC1=CC=CS1 V305289 [1,0,0,0,0,0|1,1,0]=3 68 B7R1.1 CCC1=CC=CN1 E156214 [1,0,0,0,0,0|2,0,1]=4 69 B7R1.1 CCC1=CC=CO1 E102538 [1,0,0,0,0,0|1,0,1]=3 70 B7R1.1 CCC1=CC=CO1 E141264 [1,0,0,0,0,0|1,0,1]=3 71 B7R1.1 CCC1=CC=CS1 E101589 [1,0,0,0,0,0|1,1,1]=4 72 B7R1.1 CCC1=CC=C[CH-]1 D166828 [1,0,0,0,0,0|2,0,1]=4 73 B7R1.1 COC1=CC=CO1 M158540 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.1 COC1=CC=CS1 M103170 [1,0,0,0,0,0|2,1,0]=4 75 B7R1.1 CSC1=CC=CS1 M123048 [1,0,0,0,0,0|2,1,0]=4 76 B7R1.2 C1=C(OC(=C1)Br)Br D154954 [1,0,0,0,0,0|2,0,0]=3 77 B7R1.2 C1=C(SC(=C1)Br)Br D100660 [1,0,0,0,0,0|2,1,0]=4 78 B7R1.2 C1=C(SC(=C1)Br)Cl B153193 [1,0,0,0,0,0|2,1,0]=4 79 B7R1.2 C1=C(SC(=C1)Cl)Cl D101617 [1,0,0,0,0,0|2,1,0]=4 80 B7R1.2 C1=C(SC(=C1)I)I D155849 [1,0,0,0,0,0|2,1,0]=4 81 B7R1.2 C1=C([Se]C(=C1)Br)Br D155787 [1,0,0,0,0,0|2,1,0]=4 82 B7R1.2 C1=CC(=O)NC1=O M100788 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.2 C1=CC(=O)NC1=O M424627 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.2 C1=CC(=O)OC1=O M116389 [1,0,0,0,0,0|1,0,0]=2 85 B7R1.2 C1=CC(=O)OC1=O M332470 [1,0,0,0,0,0|1,0,0]=2 86 B7R1.2 C1=CC(=O)OC1=O P134891 [1,0,0,0,0,0|1,0,0]=2 87 B7R1.2 C1=CC(=O)OC1=O P303284 [1,0,0,0,0,0|1,0,0]=2 88 B7R1.2 C1=CC(=O)OC1=O P304899 [1,0,0,0,0,0|1,0,0]=2 89 B7R1.2 C1=CC(=O)OC1=O P434514 [1,0,0,0,0,0|1,0,0]=2 90 B7R1.2 C1=CC(=O)OC1=O P434525 [1,0,0,0,0,0|1,0,0]=2 91 B7R1.2 C1=CC(=O)OC1=O P434526 [1,0,0,0,0,0|1,0,0]=2 92 B7R1.2 C1=CC(=O)OC1=O P493757 [1,0,0,0,0,0|1,0,0]=2 93 B7R1.2 C1=CC(=O)OC1O H302820 [1,0,0,0,0,0|1,0,1]=3 94 B7R1.2 C1C(=O)C=CC1=O C356087 [1,0,0,0,0,0|2,0,0]=3 95 B7R1.2 C1C(=O)OC(=O)N1 O132967 [1,0,0,0,0,0|2,0,1]=4 96 B7R1.2 C1C(C=CC1=O)O H492879 [1,0,0,0,0,0|2,0,1]=4 97 B7R1.2 C1CC(=O)OC1=O S104823 [1,0,0,0,0,0|1,0,2]=4 98 B7R1.2 C1CC(=O)OC1=O S104824 [1,0,0,0,0,0|1,0,2]=4 99 B7R1.2 CC1=CC(=CN1)C D123132 [1,0,0,0,0,0|2,0,1]=4 100 B7R1.2 CC1=CC(=CS1)Br B111413 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.2 CC1=CC(=CS1)C D304246 [1,0,0,0,0,0|2,0,1]=4 102 B7R1.2 CC1=CC(=O)CC1 M109537 [1,0,0,0,0,0|1,0,2]=4 103 B7R1.2 CC1=CC(=O)NN1 M133849 [1,0,0,0,0,0|3,0,0]=4 104 B7R1.2 CC1=CC(=O)NO1 BWY397355 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.2 CC1=CC(=O)NO1 BWY397369 [1,0,0,0,0,0|3,0,0]=4 106 B7R1.2 CC1=CC(=O)NO1 BWY397380 [1,0,0,0,0,0|3,0,0]=4 107 B7R1.2 CC1=CC(=O)NO1 H109938 [1,0,0,0,0,0|3,0,0]=4 108 B7R1.2 CC1=CC(=O)NO1 H140830 [1,0,0,0,0,0|3,0,0]=4 109 B7R1.2 CC1=CC(=O)OC1 M158202 [1,0,0,0,0,0|2,0,1]=4 110 B7R1.2 CC1=CC=C(N1)C D113404 [1,0,0,0,0,0|1,0,1]=3 111 B7R1.2 CC1=CC=C(O1)C D113405 [1,0,0,0,0,0|0,0,1]=2 112 B7R1.2 CC1=CC=C(S1)Br B101591 [1,0,0,0,0,0|1,1,0]=3 113 B7R1.2 CC1=CC=C(S1)C D155809 [1,0,0,0,0,0|0,1,1]=3 114 B7R1.2 CC1=CC=C(S1)Cl C153324 [1,0,0,0,0,0|1,1,0]=3 115 B7R1.2 CC1=CC=C(S1)I I101863 [1,0,0,0,0,0|1,1,0]=3 116 B7R1.2 CC1=CCC(=O)O1 A151155 [1,0,0,0,0,0|0,0,1]=2 117 B7R1.2 CC1=CCC(=O)O1 A433012 [1,0,0,0,0,0|0,0,1]=2 118 B7R1.2 CC1=CN=C(N1)C D139451 [1,0,0,0,0,0|2,0,1]=4 119 B7R1.2 CC1=CN=C(S1)Br B152756 [1,0,0,0,0,0|2,1,0]=4 120 B7R1.2 CC1=CN=C(S1)N A102155 [1,0,0,0,0,0|2,1,0]=4 121 B7R1.2 CC1=COC(=N1)C D139217 [1,0,0,0,0,0|2,0,1]=4 122 B7R1.2 CC1=COC(=N1)N M588855 [1,0,0,0,0,0|3,0,0]=4 123 B7R1.2 CC1=CSC(=C1)Br B153082 [1,0,0,0,0,0|3,0,0]=4 124 B7R1.2 CC1=CSC(=N1)Br B123638 [1,0,0,0,0,0|3,0,0]=4 125 B7R1.2 CC1=CSC(=N1)C D119299 [1,0,0,0,0,0|2,0,1]=4 126 B7R1.2 CC1=CSC(=N1)N A151202 [1,0,0,0,0,0|3,0,0]=4 127 B7R1.2 CC1=CSC(=N1)N A167666 [1,0,0,0,0,0|3,0,0]=4 128 B7R1.2 CC1=CSC(=S)N1 M345336 [1,0,0,0,0,0|2,1,0]=4 129 B7R1.2 CC1=NC(=CS1)Br B176047 [1,0,0,0,0,0|3,0,0]=4 130 B7R1.2 CC1=NC=C(N1)Br B181890 [1,0,0,0,0,0|3,0,0]=4 131 B7R1.2 CC1=NC=C(S1)Br B344998 [1,0,0,0,0,0|2,1,0]=4 132 B7R1.2 CC1=NN(C=C1)C D154769 [1,0,0,0,0,0|2,0,1]=4 133 B7R1.2 CC1=NN=C(O1)Br B590400 [1,0,0,0,0,0|3,0,0]=4 134 B7R1.2 CC1=NN=C(O1)N M193769 [1,0,0,0,0,0|3,0,0]=4 135 B7R1.2 CC1=NNC(=O)C1 M121614 [1,0,0,0,0,0|3,0,0]=4 136 B7R1.2 CC1CCC(=O)O1 V106294 [1,0,0,0,0,0|0,0,3]=4 137 B7R1.2 CC1COC(=O)O1 P105723 [1,0,0,0,0,0|1,0,2]=4 138 B7R1.2 CC1COC(=O)O1 P105724 [1,0,0,0,0,0|1,0,2]=4 139 B7R1.2 CC1COC(=O)O1 P105725 [1,0,0,0,0,0|1,0,2]=4 140 B7R1.2 CC1COC(=O)O1 P105726 [1,0,0,0,0,0|1,0,2]=4 141 B7R1.2 CC1COC(=O)O1 P122960 [1,0,0,0,0,0|1,0,2]=4 142 B7R1.2 CC1COC(=O)O1 S135940 [1,0,0,0,0,0|1,0,2]=4 143 B7R1.2 CN1C=CC(=N1)Br B122406 [1,0,0,0,0,0|3,0,0]=4 144 B7R1.2 CN1C=CC(=N1)I I195872 [1,0,0,0,0,0|3,0,0]=4 145 B7R1.2 CN1C=CC(=N1)N A103123 [1,0,0,0,0,0|3,0,0]=4 146 B7R1.2 CN1C=CC(=O)N1 M193770 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.21 C1=C(OC(=C1)C#N)C#N D154959 [0,1,0,0,0,0|1,0,2]=4 148 B9R1.21 C1=C(OC(=C1)C=O)C=O D134445 [0,1,0,0,0,0|0,0,1]=2 149 B9R1.21 C1=C(OC(=C1)C=O)CCl C339618 [0,1,0,0,0,0|0,0,0]=1 150 B9R1.21 C1=C(OC(=C1)C=O)CO H106322 [0,1,0,0,0,0|0,0,0]=1 151 B9R1.21 C1=C(OC(=C1)C=O)CO H106323 [0,1,0,0,0,0|0,0,0]=1 152 B9R1.21 C1=C(OC(=C1)C=O)CO H106324 [0,1,0,0,0,0|0,0,0]=1 153 B9R1.21 C1=C(OC(=C1)C=O)CO H301743 [0,1,0,0,0,0|0,0,0]=1 154 B9R1.21 C1=C(OC(=C1)C=O)CO H344404 [0,1,0,0,0,0|0,0,0]=1 155 B9R1.21 C1=C(OC(=C1)C=O)CO H425395 [0,1,0,0,0,0|0,0,0]=1 156 B9R1.21 C1=C(OC(=C1)CN)CN B355365 [0,1,0,0,0,0|1,0,1]=3 157 B9R1.21 C1=C(OC(=C1)CO)CO F182365 [0,1,0,0,0,0|0,0,2]=3 158 B9R1.21 C1=C(SC(=C1)C#N)C=O C168604 [0,1,0,0,0,0|0,1,1]=3 159 B9R1.21 C1=C(SC(=C1)C#N)CBr B190611 [0,1,0,0,0,0|1,1,1]=4 160 B9R1.21 C1=C(SC(=C1)C=O)C=O T122401 [0,1,0,0,0,0|0,1,1]=3 161 B9R1.21 CCN1C=C(C=N1)C=O H303385 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.21 COC1=CC=C(S1)C=O M588828 [0,1,0,0,0,0|0,1,0]=2 163 B9R1.21 CSC1=CC=C(S1)C=O M135389 [0,1,0,0,0,0|0,1,0]=2 164 B9R1.22 C(=O)C1=C(N=C(S1)Cl)Cl D121873 [0,1,0,0,0,0|2,1,0]=4 165 B9R1.22 C(=O)C1=C(N=C(S1)N)Cl A186515 [0,1,0,0,0,0|2,1,0]=4 166 B9R1.22 C1=C(C(=CBr)OC1=O)Br F287587 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.22 CC1=CC(=C(N1)C)C=O D478848 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.22 CC1=CC(=C(N1)C=O)C D155375 [0,1,0,0,0,0|1,0,0]=2 169 B9R1.22 CC1=NN(C(=C1)C=O)C D588409 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.22 CC1=NN(C=C1C=O)C D192302 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.23 CC1=C(C=C(S1)C=O)Br B588613 [0,1,0,0,0,0|0,1,0]=2 172 B9R1.23 CC1=C(SC(=N1)C=O)C D194862 [0,1,0,0,0,0|1,1,0]=3 173 B9R1.35 B(C1=CC=C(S1)C)(O)O M290775 [0,1,0,0,0,0|1,1,1]=4 174 B9R1.35 C1=C(N=C(S1)Br)C(=O)O B152754 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.35 C1=C(N=C(S1)C(=O)O)Br B178029 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.35 C1=C(N=C(S1)Cl)C(=O)O C133468 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.35 C1=C(N=C(S1)N)C(=O)O A184340 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.35 C1=C(NC(=O)N1)C(=O)O D138792 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.35 C1=C(NC=C1Br)C(=O)O W134576 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.35 C1=C(OC(=C1)Br)C(=O)O B139036 [0,1,0,0,0,0|1,0,0]=2 181 B9R1.35 C1=C(OC(=C1)Cl)C(=O)O C480705 [0,1,0,0,0,0|1,0,0]=2 182 B9R1.35 C1=C(OC=C1Br)C(=O)O B588799 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.35 C1=C(SC(=C1)Br)C(=O)O B123511 [0,1,0,0,0,0|1,1,0]=3 184 B9R1.35 C1=C(SC(=C1)Br)[N+](=O)[O-] B166947 [0,1,0,0,0,0|2,1,0]=4 185 B9R1.35 C1=C(SC(=C1)Cl)C(=O)Cl C136614 [0,1,0,0,0,0|1,1,0]=3 186 B9R1.35 C1=C(SC(=C1)Cl)C(=O)O C101862 [0,1,0,0,0,0|1,1,0]=3 187 B9R1.35 C1=C(SC(=N1)Br)C(=O)O B119304 [0,1,0,0,0,0|2,1,0]=4 188 B9R1.35 C1=C(SC(=N1)Cl)C(=O)O C586129 [0,1,0,0,0,0|2,1,0]=4 189 B9R1.35 C1=C(SC(=N1)N)C(=O)O A184341 [0,1,0,0,0,0|2,1,0]=4 190 B9R1.35 C1=C(SC=C1Br)C(=O)N B186842 [0,1,0,0,0,0|3,0,0]=4 191 B9R1.35 C1=C(SC=C1Br)C(=O)O B153190 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.35 C1=C(SC=C1C(=O)O)Br B123350 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.35 C1=C(SC=C1C(=O)O)Cl C176258 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.35 C1=C(SC=C1Cl)C(=O)O C185466 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.35 CC(=O)C1=CC(=CS1)Br B186234 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.35 CC(=O)C1=CC(=CS1)Cl C303501 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.35 CC(=O)C1=CC=C(S1)Br A100556 [0,1,0,0,0,0|1,1,0]=3 198 B9R1.35 CC(=O)C1=CC=C(S1)Cl A151017 [0,1,0,0,0,0|1,1,0]=3 199 B9R1.35 CC(=O)C1=CN(N=C1)C M588929 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.35 CC(=O)C1=CSC(=C1)Cl A171083 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.35 CC1=CC(=CS1)C(=O)O M168225 [0,1,0,0,0,0|2,0,0]=3 202 B9R1.35 CC1=CC(=NN1)C(=O)O M123107 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.35 CC1=CC(=NO1)C(=O)Cl M184265 [0,1,0,0,0,0|3,0,0]=4 204 B9R1.35 CC1=CC(=NO1)C(=O)N M192868 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.35 CC1=CC(=NO1)C(=O)O M113629 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.35 CC1=CC=C(O1)C(=O)C A113375 [0,1,0,0,0,0|0,0,0]=1 207 B9R1.35 CC1=CC=C(S1)C(=O)C A113376 [0,1,0,0,0,0|0,1,0]=2 208 B9R1.35 CC1=CC=C(S1)C(=O)O M157939 [0,1,0,0,0,0|0,1,0]=2 209 B9R1.35 CC1=CN=C(S1)C(=O)O M304139 [0,1,0,0,0,0|1,1,0]=3 210 B9R1.35 CC1=CSC(=C1)C(=O)C A167104 [0,1,0,0,0,0|2,0,0]=3 211 B9R1.35 CC1=CSC(=C1)C(=O)O M167262 [0,1,0,0,0,0|2,0,0]=3 212 B9R1.35 CC1=CSC(=N1)C(=O)C A469639 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.35 CC1=NC(=CO1)C(=O)O M168812 [0,1,0,0,0,0|2,0,0]=3 214 B9R1.35 CC1=NC(=CS1)C(=O)O M158475 [0,1,0,0,0,0|2,0,0]=3 215 B9R1.35 CC1=NC=C(N1)[N+](=O)[O-] M137715 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.35 CC1=NC=C(N1)[N+](=O)[O-] M158532 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.35 CC1=NC=C(S1)C(=O)O M136312 [0,1,0,0,0,0|1,1,0]=3 218 B9R1.35 CC1=NN=C(O1)C(=O)[O-] P134612 [0,1,0,0,0,0|2,0,0]=3 219 B9R1.35 CC1=NOC(=C1)C(=O)O M158059 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.35 CN1C=C(C=N1)C(=O)O M158363 [0,1,0,0,0,0|3,0,0]=4 221 B9R1.35 CN1C=C(N=C1)C(=O)O M158534 [0,1,0,0,0,0|3,0,0]=4 222 B9R1.35 CN1C=CC(=C1)C(=O)O M184068 [0,1,0,0,0,0|2,0,0]=3 223 B9R1.35 CN1C=CC(=N1)C(=O)O M158357 [0,1,0,0,0,0|2,0,0]=3 224 B9R1.132 C1=C(C(=C(S1)C=O)Br)Br D169599 [0,1,0,0,0,0|3,0,0]=4 225 B7R0.2 CC(=O)OC(=C)C#N C153479 [0,0,1,0,0,0|2,0,1]=4 226 B7R0.3 C=CCOC(=O)C=C A151727 [0,0,1,0,0,0|2,0,1]=4 227 B7R0.4 CC=CC=CC(=O)C H156931 [0,0,1,0,0,0|1,0,1]=3 228 B7R0.4 CC=CC=CC(=O)O H431430 [0,0,1,0,0,0|2,0,0]=3 229 B7R0.4 CC=CC=CC(=O)O S101106 [0,0,1,0,0,0|2,0,0]=3 230 B7R0.4 CC=CC=CC(=O)O S101108 [0,0,1,0,0,0|2,0,0]=3 231 B7R0.4 CC=CC=CC(=O)O S101109 [0,0,1,0,0,0|2,0,0]=3 232 B7R0.4 CC=CC=CC(=O)O S101111 [0,0,1,0,0,0|2,0,0]=3 233 B7R0.4 CC=CC=CC(=O)O S420601 [0,0,1,0,0,0|2,0,0]=3 234 B7R0.4 CC=CC=CC(=O)[O-] P103845 [0,0,1,0,0,0|2,0,1]=4 235 B7R0.4 CC=CC=CC(=O)[O-] P103846 [0,0,1,0,0,0|2,0,1]=4 236 B7R0.4 CC=CC=CC(=O)[O-] P103847 [0,0,1,0,0,0|2,0,1]=4 237 B7R0.4 CC=CC=CC(=O)[O-] P422842 [0,0,1,0,0,0|2,0,1]=4 238 B7R0.4 CC=CC=CC(=O)[O-] S161310 [0,0,1,0,0,0|2,0,1]=4 239 B9R1.1 C1=C(C=NC(=N1)N)C=O A123166 [0,0,0,0,0,1|3,0,0]=4 240 B9R1.1 C1=CC(=CC=C1C=O)Br B109177 [0,0,0,0,0,1|2,0,0]=3 241 B9R1.1 C1=CC(=CC=C1C=O)Br B419287 [0,0,0,0,0,1|2,0,0]=3 242 B9R1.1 C1=CC(=CC=C1C=O)Cl C104155 [0,0,0,0,0,1|2,0,0]=3 243 B9R1.1 C1=CC(=CC=C1C=O)F F109178 [0,0,0,0,0,1|2,0,0]=3 244 B9R1.1 C1=CC(=CC=C1C=O)I I138274 [0,0,0,0,0,1|2,0,0]=3 245 B9R1.1 C1=CC(=CC=C1C=O)N A303975 [0,0,0,0,0,1|2,0,0]=3 246 B9R1.1 C1=CC(=CC=C1C=O)N A405596 [0,0,0,0,0,1|2,0,0]=3 247 B9R1.1 C1=CC(=CC=C1C=O)O H100420 [0,0,0,0,0,1|2,0,0]=3 248 B9R1.1 C1=CC(=CC=C1C=O)O H100421 [0,0,0,0,0,1|2,0,0]=3 249 B9R1.1 C1=CC(=CC=C1C=O)O H431620 [0,0,0,0,0,1|2,0,0]=3 250 B9R1.1 C1=CC(=CC=C1N=O)O N159523 [0,0,0,0,0,1|3,0,0]=4 251 B9R1.1 C1=CC(=NC=C1Br)C=O B119147 [0,0,0,0,0,1|2,0,0]=3 252 B9R1.1 C1=CC(=NC=C1C=O)Br B115763 [0,0,0,0,0,1|2,0,0]=3 253 B9R1.1 C1=CC(=NC=C1C=O)Cl C122666 [0,0,0,0,0,1|2,0,0]=3 254 B9R1.1 C1=CC(=NC=C1C=O)F F185975 [0,0,0,0,0,1|2,0,0]=3 255 B9R1.1 C1=CC(=NC=C1C=O)N A177224 [0,0,0,0,0,1|2,0,0]=3 256 B9R1.1 C1=CC(=NC=C1Cl)C=O C154077 [0,0,0,0,0,1|2,0,0]=3 257 B9R1.1 C1=CC(=NC=C1O)C=O H192663 [0,0,0,0,0,1|2,0,0]=3 258 B9R1.1 C1=CC(=O)NC=C1C=O H179130 [0,0,0,0,0,1|2,0,0]=3 259 B9R1.1 C=CC1=CC=C(C=C1)Br B102167 [0,0,0,0,0,1|3,0,0]=4 260 B9R1.1 C=CC1=CC=C(C=C1)Cl C121719 [0,0,0,0,0,1|3,0,0]=4 261 B9R1.1 C=CC1=CC=C(C=C1)F F107117 [0,0,0,0,0,1|3,0,0]=4 262 B9R1.1 C=CC1=CC=C(C=C1)F F407667 [0,0,0,0,0,1|3,0,0]=4 263 B9R1.1 C=CC1=CC=C(C=C1)N A151485 [0,0,0,0,0,1|3,0,0]=4 264 B9R1.1 C=CC1=CC=C(C=C1)O H189096 [0,0,0,0,0,1|3,0,0]=4 265 B9R1.1 CC1=CC=C(C=C1)C#C E106375 [0,0,0,0,0,1|2,0,1]=4 266 B9R1.1 CC1=CC=C(C=C1)C#N P160229 [0,0,0,0,0,1|2,0,1]=4 267 B9R1.1 CC1=CC=C(C=C1)C=C M158348 [0,0,0,0,0,1|2,0,0]=3 268 B9R1.1 CC1=CC=C(C=C1)C=O M105910 [0,0,0,0,0,1|1,0,0]=2 269 B9R1.1 CC1=CC=C(C=C1)CBr M109534 [0,0,0,0,0,1|2,0,1]=4 270 B9R1.1 CC1=CC=C(C=C1)CCl A101683 [0,0,0,0,0,1|2,0,1]=4 271 B9R1.1 CC1=CC=C(C=C1)CCl A164460 [0,0,0,0,0,1|2,0,1]=4 272 B9R1.1 CC1=CC=C(C=C1)CN M158669 [0,0,0,0,0,1|2,0,1]=4 273 B9R1.1 CC1=CC=C(C=C1)CO M113648 [0,0,0,0,0,1|1,0,2]=4 274 B9R1.1 CC1=CC=C(C=C1)CS M113646 [0,0,0,0,0,1|1,1,1]=4 275 B9R1.1 CC1=CC=C(C=C1)NC N159024 [0,0,0,0,0,1|3,0,0]=4 276 B9R1.1 CC1=CC=C(C=C1)NN T109603 [0,0,0,0,0,1|3,0,0]=4 277 B9R1.1 CC1=CC=C(C=C1)OC M106728 [0,0,0,0,0,1|3,0,0]=4 278 B9R1.1 CC1=CC=C(C=C1)SC M101848 [0,0,0,0,0,1|3,0,0]=4 279 B9R1.1 CC1=CN=C(C=C1)C#N C132411 [0,0,0,0,0,1|2,0,1]=4 280 B9R1.1 CC1=CN=C(C=C1)C=O M170606 [0,0,0,0,0,1|1,0,0]=2 281 B9R1.1 CC1=CN=C(C=C1)CN M589171 [0,0,0,0,0,1|2,0,1]=4 282 B9R1.1 CC1=CN=C(C=C1)OC M181247 [0,0,0,0,0,1|3,0,0]=4 283 B9R1.1 CC1=CN=C(C=N1)C=O M176646 [0,0,0,0,0,1|2,0,0]=3 284 B9R1.1 CC1=NC=C(C=C1)C#N C140251 [0,0,0,0,0,1|2,0,1]=4 285 B9R1.1 CC1=NC=C(C=C1)C=O W134999 [0,0,0,0,0,1|1,0,0]=2 286 B9R1.1 CC1=NC=C(C=C1)CO W136158 [0,0,0,0,0,1|1,0,2]=4 287 B9R1.1 CC1=NN=C(C=C1)NN H193151 [0,0,0,0,0,1|3,0,0]=4 288 B9R1.1 CC1=NN=C(C=C1)OC M587689 [0,0,0,0,0,1|3,0,0]=4 289 B9R1.1 CCC1=CC=C(C=C1)C E123489 [0,0,0,0,0,1|2,0,1]=4 290 B9R1.1 CCC1=CN=C(C=C1)C E101695 [0,0,0,0,0,1|2,0,1]=4 291 B9R1.2 C1=C(C=NC=C1Br)C=O B111394 [0,0,0,0,0,1|2,0,0]=3 292 B9R1.2 C1=C(C=NC=C1Cl)C=O C165987 [0,0,0,0,0,1|2,0,0]=3 293 B9R1.2 C1=C(C=NC=C1F)C=O F176383 [0,0,0,0,0,1|2,0,0]=3 294 B9R1.2 C1=C(C=NC=C1I)C=O I340108 [0,0,0,0,0,1|2,0,0]=3 295 B9R1.2 C1=CC(=CC(=C1)Br)C=O B108056 [0,0,0,0,0,1|2,0,0]=3 296 B9R1.2 C1=CC(=CC(=C1)Cl)C=O C154036 [0,0,0,0,0,1|2,0,0]=3 297 B9R1.2 C1=CC(=CC(=C1)F)C=O F107121 [0,0,0,0,0,1|2,0,0]=3 298 B9R1.2 C1=CC(=CC(=C1)I)C=O I135884 [0,0,0,0,0,1|2,0,0]=3 299 B9R1.2 C1=CC(=CC(=C1)O)C=O H104163 [0,0,0,0,0,1|2,0,0]=3 300 B9R1.2 C1=CC(=NC(=C1)Br)C=O B115762 [0,0,0,0,0,1|2,0,0]=3 301 B9R1.2 C1=CC(=NC(=C1)Cl)C=O C154078 [0,0,0,0,0,1|2,0,0]=3 302 B9R1.2 C1=CC(=NC(=C1)F)C=O F182684 [0,0,0,0,0,1|2,0,0]=3 303 B9R1.2 C1=CN=C(C=C1C=O)Br B138072 [0,0,0,0,0,1|2,0,0]=3 304 B9R1.2 C1=CN=C(C=C1C=O)Cl W136070 [0,0,0,0,0,1|2,0,0]=3 305 B9R1.2 C1=CN=C(C=C1C=O)F F166943 [0,0,0,0,0,1|2,0,0]=3 306 B9R1.2 C1=CN=C(C=C1Cl)C=O C176987 [0,0,0,0,0,1|2,0,0]=3 307 B9R1.2 C=CC1=CC(=CC=C1)Br B121722 [0,0,0,0,0,1|3,0,0]=4 308 B9R1.2 C=CC1=CC(=CC=C1)Cl C121720 [0,0,0,0,0,1|3,0,0]=4 309 B9R1.2 C=CC1=CC(=CC=C1)Cl C140515 [0,0,0,0,0,1|3,0,0]=4 310 B9R1.2 C=CC1=CC(=CC=C1)F F121724 [0,0,0,0,0,1|3,0,0]=4 311 B9R1.2 C=CC1=CC(=CC=C1)N V138287 [0,0,0,0,0,1|3,0,0]=4 312 B9R1.2 CC1=CC(=CC=C1)C#C E107733 [0,0,0,0,0,1|2,0,1]=4 313 B9R1.2 CC1=CC(=CC=C1)C#N T100294 [0,0,0,0,0,1|2,0,1]=4 314 B9R1.2 CC1=CC(=CC=C1)C=C M158347 [0,0,0,0,0,1|2,0,0]=3 315 B9R1.2 CC1=CC(=CC=C1)C=O M157831 [0,0,0,0,0,1|1,0,0]=2 316 B9R1.2 CC1=CC(=CC=C1)CBr B405679 [0,0,0,0,0,1|2,0,1]=4 317 B9R1.2 CC1=CC(=CC=C1)CCl M101677 [0,0,0,0,0,1|2,0,1]=4 318 B9R1.2 CC1=CC(=CC=C1)CN M158668 [0,0,0,0,0,1|2,0,1]=4 319 B9R1.2 CC1=CC(=CC=C1)CO M157904 [0,0,0,0,0,1|1,0,2]=4 320 B9R1.2 CC1=CC(=CC=C1)CS M588442 [0,0,0,0,0,1|1,1,1]=4 321 B9R1.2 CC1=CC(=CC=C1)NC M107962 [0,0,0,0,0,1|3,0,0]=4 322 B9R1.2 CC1=CC(=CC=C1)NN T101274 [0,0,0,0,0,1|3,0,0]=4 323 B9R1.2 CC1=CC(=CC=C1)OC M158111 [0,0,0,0,0,1|3,0,0]=4 324 B9R1.2 CC1=CC(=CC=C1)SC M351262 [0,0,0,0,0,1|3,0,0]=4 325 B9R1.2 CC1=CC(=CN=C1)C#N M170328 [0,0,0,0,0,1|2,0,1]=4 326 B9R1.2 CC1=CC(=CN=C1)CCl C178714 [0,0,0,0,0,1|2,0,1]=4 327 B9R1.2 CC1=CC(=NC=C1)C#N C132269 [0,0,0,0,0,1|2,0,1]=4 328 B9R1.2 CC1=CC(=NC=C1)C=O M124675 [0,0,0,0,0,1|1,0,0]=2 329 B9R1.2 CC1=CC(=NC=C1)CN M586928 [0,0,0,0,0,1|2,0,1]=4 330 B9R1.2 CC1=CC(=NC=C1)CN M588861 [0,0,0,0,0,1|2,0,1]=4 331 B9R1.2 CC1=CC(=NC=C1)NN H589250 [0,0,0,0,0,1|3,0,0]=4 332 B9R1.2 CC1=CC(=NC=C1)OC M122668 [0,0,0,0,0,1|3,0,0]=4 333 B9R1.2 CC1=NC(=CC=C1)C#N C107723 [0,0,0,0,0,1|2,0,1]=4 334 B9R1.2 CC1=NC(=CC=C1)C=O M101568 [0,0,0,0,0,1|1,0,0]=2 335 B9R1.2 CC1=NC(=CC=C1)CBr B589873 [0,0,0,0,0,1|2,0,1]=4 336 B9R1.2 CC1=NC(=CC=C1)CCl C405541 [0,0,0,0,0,1|2,0,1]=4 337 B9R1.2 CC1=NC(=CC=C1)CN M194459 [0,0,0,0,0,1|2,0,1]=4 338 B9R1.2 CC1=NC(=CC=C1)CO M115780 [0,0,0,0,0,1|1,0,2]=4 339 B9R1.2 CC1=NC(=CC=C1)OC M108062 [0,0,0,0,0,1|3,0,0]=4 340 B9R1.2 CC1=NC(=NC=C1)SC M124713 [0,0,0,0,0,1|3,0,0]=4 341 B9R1.2 CC1=NC=CC(=C1)CO M573438 [0,0,0,0,0,1|1,0,2]=4 342 B9R1.2 CC1=NC=CC(=C1)OC M183081 [0,0,0,0,0,1|3,0,0]=4 343 B9R1.2 CCC1=CC=CC(=C1)C E113367 [0,0,0,0,0,1|2,0,1]=4 344 B6R0.1 CCC=C(C)C=O M102187 [1,0,1,0,0,0|1,0,1]=4 345 B6R0.1 CCNC(=O)C=C N136947 [1,0,1,0,0,0|1,0,1]=4 346 B6R0.1 CCOC(=O)C=C E112943 [1,0,1,0,0,0|0,0,1]=3 347 B6R0.1 CCOC(=O)C=C E112944 [1,0,1,0,0,0|0,0,1]=3 348 B6R0.1 CCOC(=O)C=C E112945 [1,0,1,0,0,0|0,0,1]=3 349 B6R0.1 CCOC(=O)C=C E465763 [1,0,1,0,0,0|0,0,1]=3 350 B6R0.1 CCOC(=O)C=O E106246 [1,0,1,0,0,0|1,0,1]=4 351 B6R0.2 CC(=C)OC(=O)C I108612 [1,0,1,0,0,0|0,0,1]=3 352 B6R0.2 CC(=O)OC(=O)C A302240 [1,0,1,0,0,0|1,0,1]=4 353 B6R0.2 CC(=O)OC(=O)C A474130 [1,0,1,0,0,0|1,0,1]=4 354 B6R0.4 C(C=CC(=O)O)Br B152770 [1,0,1,0,0,0|1,0,1]=4 355 B6R0.4 C(C=CC(=O)O)O T341890 [1,0,1,0,0,0|1,0,1]=4 356 B6R0.4 CC(=O)C=COC M113467 [1,0,1,0,0,0|2,0,0]=4 357 B6R0.4 CC(=O)C=COC M434875 [1,0,1,0,0,0|2,0,0]=4 358 B6R0.4 CC=CCC(=O)O P165142 [1,0,1,0,0,0|0,0,1]=3 359 B6R0.4 CCC=CC(=O)O T162309 [1,0,1,0,0,0|0,0,1]=3 360 B6R0.4 CN(C)C=CC=O D139445 [1,0,1,0,0,0|2,0,0]=4 361 B6R0.6 CC=CC=CC=O H156882 [1,0,1,0,0,0|0,0,0]=2 362 B6R0.6 CC=CC=CCO I167855 [1,0,1,0,0,0|0,0,2]=4 363 B6R0.6 CC=CC=CCO T470463 [1,0,1,0,0,0|0,0,2]=4 364 B6R0.6 CCCC=CC=O H107633 [1,0,1,0,0,0|0,0,2]=4 365 B6R0.6 CCCC=CC=O T425385 [1,0,1,0,0,0|0,0,2]=4 366 B6R1.2 C1=C(ON=C1)N I587306 [2,0,0,0,0,0|2,0,0]=4 367 B6R1.2 C1=CNNC1=O H173741 [2,0,0,0,0,0|2,0,0]=4 368 B6R1.2 C1=COC(=C1)Br B152379 [2,0,0,0,0,0|1,0,0]=3 369 B6R1.2 C1=COC(=N1)Br B586790 [2,0,0,0,0,0|2,0,0]=4 370 B6R1.2 C1=COC(=N1)N A122648 [2,0,0,0,0,0|2,0,0]=4 371 B6R1.2 C1=COC(=O)O1 V107163 [2,0,0,0,0,0|1,0,0]=3 372 B6R1.2 C1=COC(=O)O1 V359322 [2,0,0,0,0,0|1,0,0]=3 373 B6R1.2 C1=COC(=O)O1 V399512 [2,0,0,0,0,0|1,0,0]=3 374 B6R1.2 C1=CSC(=C1)Br B107006 [2,0,0,0,0,0|1,1,0]=4 375 B6R1.2 C1=CSC(=C1)Cl C106575 [2,0,0,0,0,0|1,1,0]=4 376 B6R1.2 C1=CSC(=C1)I I107041 [2,0,0,0,0,0|1,1,0]=4 377 B6R1.2 C1=CSC(=C1)S T100899 [2,0,0,0,0,0|0,2,0]=4 378 B6R1.2 C1C=CC(=O)N1 D344952 [2,0,0,0,0,0|1,0,1]=4 379 B6R1.2 C1C=CC(=O)O1 F107943 [2,0,0,0,0,0|0,0,1]=3 380 B6R1.2 C1C=CC(=O)S1 H472400 [2,0,0,0,0,0|0,1,1]=4 381 B6R1.2 C1CC(=O)C=C1 C139450 [2,0,0,0,0,0|1,0,1]=4 382 B6R1.2 CC1=CC=CN1 M185725 [2,0,0,0,0,0|1,0,0]=3 383 B6R1.2 CC1=CC=CO1 M110932 [2,0,0,0,0,0|0,0,0]=2 384 B6R1.2 CC1=CC=CS1 M109554 [2,0,0,0,0,0|0,1,0]=3 385 B6R1.2 CC1=CC=NN1 M108005 [2,0,0,0,0,0|2,0,0]=4 386 B6R1.2 CC1=CC=NO1 M158646 [2,0,0,0,0,0|1,0,0]=3 387 B6R1.2 CC1=CN=CN1 M112296 [2,0,0,0,0,0|2,0,0]=4 388 B6R1.2 CC1=CN=CS1 M124661 [2,0,0,0,0,0|1,1,0]=4 389 B6R1.2 CC1=CNC=C1 M139090 [2,0,0,0,0,0|2,0,0]=4 390 B6R1.2 CC1=COC=C1 M158541 [2,0,0,0,0,0|2,0,0]=4 391 B6R1.2 CC1=CSC=C1 M113676 [2,0,0,0,0,0|2,0,0]=4 392 B6R1.2 CC1=CSC=N1 M103108 [2,0,0,0,0,0|2,0,0]=4 393 B6R1.2 CC1=NC=CN1 M104839 [2,0,0,0,0,0|2,0,0]=4 394 B6R1.2 CC1=NC=CS1 M299351 [2,0,0,0,0,0|1,1,0]=4 395 B6R1.2 CC1=NC=C[N-]1 Z282555 [2,0,0,0,0,0|2,0,0]=4 396 B6R1.2 CN1C=CC=C1 M100701 [2,0,0,0,0,0|2,0,0]=4 397 B6R1.2 CN1C=CC=N1 M107967 [2,0,0,0,0,0|2,0,0]=4 398 B8R0.23 CC(=O)NC(=C)C(=O)O A113943 [0,1,1,0,0,0|2,0,0]=4 399 B8R0.28 CC(=CC=CC(=O)C)C M132660 [0,1,1,0,0,0|1,0,0]=3 400 B8R1.7 B(C1=CC=CO1)(O)O F111872 [1,1,0,0,0,0|1,0,1]=4 401 B8R1.7 C1=C(N=CS1)C(=O)O T119302 [1,1,0,0,0,0|2,0,0]=4 402 B8R1.7 C1=C(NC=N1)C(=O)N H303286 [1,1,0,0,0,0|2,0,0]=4 403 B8R1.7 C1=C(NC=N1)C(=O)O I111403 [1,1,0,0,0,0|2,0,0]=4 404 B8R1.7 C1=C(NN=C1)C(=O)O H337020 [1,1,0,0,0,0|2,0,0]=4 405 B8R1.7 C1=C(NN=C1)C(=O)O P160445 [1,1,0,0,0,0|2,0,0]=4 406 B8R1.7 C1=C(OC=N1)C(=O)O O138079 [1,1,0,0,0,0|1,0,0]=3 407 B8R1.7 C1=C(ON=C1)C(=O)Cl I469461 [1,1,0,0,0,0|1,0,0]=3 408 B8R1.7 C1=C(ON=C1)C(=O)O I121616 [1,1,0,0,0,0|1,0,0]=3 409 B8R1.7 C1=C(SC=N1)C(=O)N T339940 [1,1,0,0,0,0|1,1,0]=4 410 B8R1.7 C1=C(SC=N1)C(=O)O T405006 [1,1,0,0,0,0|1,1,0]=4 411 B8R1.7 C1=CN=C(N1)C(=O)N H191251 [1,1,0,0,0,0|2,0,0]=4 412 B8R1.7 C1=CN=C(N1)C(=O)O H134313 [1,1,0,0,0,0|2,0,0]=4 413 B8R1.7 C1=CNC(=C1)C(=O)O P106858 [1,1,0,0,0,0|1,0,0]=3 414 B8R1.7 C1=CNC(=C1)[N+](=O)[O-] N185435 [1,1,0,0,0,0|2,0,0]=4 415 B8R1.7 C1=CNC=C1C(=O)O P139452 [1,1,0,0,0,0|2,0,0]=4 416 B8R1.7 C1=COC(=C1)C(=N)N F356787 [1,1,0,0,0,0|1,0,0]=3 417 B8R1.7 C1=COC(=C1)C(=O)Cl F107848 [1,1,0,0,0,0|0,0,0]=2 418 B8R1.7 C1=COC(=C1)C(=O)N F404495 [1,1,0,0,0,0|0,0,0]=2 419 B8R1.7 C1=COC(=C1)C(=O)O F111223 [1,1,0,0,0,0|0,0,0]=2 420 B8R1.7 C1=COC(=C1)C(=O)O F426656 [1,1,0,0,0,0|0,0,0]=2 421 B8R1.7 C1=COC=C1C(=O)Cl F169128 [1,1,0,0,0,0|2,0,0]=4 422 B8R1.7 C1=COC=C1C(=O)O F156653 [1,1,0,0,0,0|2,0,0]=4 423 B8R1.7 C1=CON=C1C(=O)O I133309 [1,1,0,0,0,0|2,0,0]=4 424 B8R1.7 C1=CSC(=C1)C(=O)Cl T162807 [1,1,0,0,0,0|0,1,0]=3 425 B8R1.7 C1=CSC(=C1)C(=O)Cl T471243 [1,1,0,0,0,0|0,1,0]=3 426 B8R1.7 C1=CSC(=C1)C(=O)N T162813 [1,1,0,0,0,0|0,1,0]=3 427 B8R1.7 C1=CSC(=C1)C(=O)O T107125 [1,1,0,0,0,0|0,1,0]=3 428 B8R1.7 C1=CSC(=C1)C(=O)[O-] C115572 [1,1,0,0,0,0|0,1,0]=3 429 B8R1.7 C1=CSC(=C1)C(=S)N T302722 [1,1,0,0,0,0|0,2,0]=4 430 B8R1.7 C1=CSC(=C1)[N+](=O)[O-] N101613 [1,1,0,0,0,0|1,1,0]=4 431 B8R1.7 C1=CSC(=N1)C(=O)O T131973 [1,1,0,0,0,0|1,1,0]=4 432 B8R1.7 C1=CSC=C1C(=O)Cl T170244 [1,1,0,0,0,0|2,0,0]=4 433 B8R1.7 C1=CSC=C1C(=O)O T124563 [1,1,0,0,0,0|2,0,0]=4 434 B8R1.7 CC(=C1C=CC=C1)C D168651 [1,1,0,0,0,0|2,0,0]=4 435 B8R1.7 CC(=O)C1=CC=CN1 A113378 [1,1,0,0,0,0|1,0,0]=3 436 B8R1.7 CC(=O)C1=CC=CO1 F106238 [1,1,0,0,0,0|0,0,0]=2 437 B8R1.7 CC(=O)C1=CC=CS1 A109378 [1,1,0,0,0,0|0,1,0]=3 438 B8R1.7 CC(=O)C1=CC=NN1 H588033 [1,1,0,0,0,0|2,0,0]=4 439 B8R1.7 CC(=O)C1=CN=CN1 A194232 [1,1,0,0,0,0|2,0,0]=4 440 B8R1.7 CC(=O)C1=CNC=C1 A179139 [1,1,0,0,0,0|2,0,0]=4 441 B8R1.7 CC(=O)C1=CSC=C1 A111250 [1,1,0,0,0,0|2,0,0]=4 442 B8R1.7 CC(=O)C1=NC=CS1 A124071 [1,1,0,0,0,0|1,1,0]=4 443 B8R1.7 CC(C1=CC=CO1)O R588542 [1,1,0,0,0,0|0,0,2]=4 444 B8R1.7 CC(C1=CC=CO1)O x170274 [1,1,0,0,0,0|0,0,2]=4 445 B8R1.8 C1=COC(=C1)C=NO F356785 [1,1,0,0,0,0|0,0,1]=3 446 B8R1.8 C1=CSC(=C1)C=NO T169362 [1,1,0,0,0,0|0,1,1]=4 447 B8R1.8 CCCC1=CC=CO1 P160277 [1,1,0,0,0,0|1,0,1]=4 448 B8R1.8 CNCC1=CC=CO1 I170508 [1,1,0,0,0,0|1,0,1]=4 449 B8R1.8 CSCC1=CC=CO1 F102908 [1,1,0,0,0,0|0,1,1]=4 450 B8R1.11 C1=C(C(=CS1)Br)C=O B152939 [1,1,0,0,0,0|2,0,0]=4 451 B8R1.11 C1=COC(=C1Br)C=O B181580 [1,1,0,0,0,0|0,0,0]=2 452 B8R1.11 C1=CSC(=C1Br)C=O B123868 [1,1,0,0,0,0|0,1,0]=3 453 B8R1.11 C1=CSC(=C1C=O)Br B191744 [1,1,0,0,0,0|2,0,0]=4 454 B8R1.11 CC1=C(N=CN1)C=O W136827 [1,1,0,0,0,0|2,0,0]=4 455 B8R1.11 CC1=C(SC=C1)C=O M157936 [1,1,0,0,0,0|0,1,0]=3 456 B8R1.11 CC1=C(SC=N1)C=O M137054 [1,1,0,0,0,0|1,1,0]=4 457 B8R1.11 CN1C(=CC=N1)C=O M138592 [1,1,0,0,0,0|2,0,0]=4 458 B8R1.11 CN1C=CC=C1C=O M158153 [1,1,0,0,0,0|1,0,0]=3 459 B8R1.11 CN1C=CN=C1C=O M123088 [1,1,0,0,0,0|2,0,0]=4 460 B8R1.11 CN1C=NC=C1C=O M134143 [1,1,0,0,0,0|2,0,0]=4 461 B8R1.18 C1=C(C(=O)OC1=O)Br B194099 [1,1,0,0,0,0|1,0,0]=3 462 B8R1.18 C=C1CC(=O)OC1=O I132081 [1,1,0,0,0,0|1,0,1]=4 463 B8R1.18 C=C1CC(=O)OC1=O I492174 [1,1,0,0,0,0|1,0,1]=4 464 B8R1.18 CC1=C(C=C(S1)Br)Br D155848 [1,1,0,0,0,0|1,1,0]=4 465 B8R1.18 CC1=C(OC(=N1)Br)C B586742 [1,1,0,0,0,0|2,0,0]=4 466 B8R1.18 CC1=C(OC(=O)O1)C D134948 [1,1,0,0,0,0|1,0,0]=3 467 B8R1.18 CC1=CC(=C(O1)C)S D103074 [1,1,0,0,0,0|0,0,1]=3 468 B8R1.18 CC1=CC(=C(S1)C)C T162829 [1,1,0,0,0,0|0,1,1]=4 469 B8R1.18 CC1=CC(=O)OC1=O C106959 [1,1,0,0,0,0|1,0,0]=3 470 B8R1.18 CC1=CC(OC1=O)O H404578 [1,1,0,0,0,0|1,0,1]=4 471 B8R1.18 CC1C(=O)C=C(O1)C D102990 [1,1,0,0,0,0|0,0,2]=4 472 B8R1.50 CC1=CC=C(N1C)C T161834 [1,1,0,0,0,0|1,0,1]=4 473 B8R1.50 CN1C(=O)C=CC1=O N158890 [1,1,0,0,0,0|2,0,0]=4 474 B8R1.51 CC1(CC(=O)C=C1)C D168778 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.1 C1=CC(=CC=C1NC=O)Br N342559 [0,1,0,0,0,1|2,0,0]=4 476 B10R1.1 C1=CC(=CC=C1NC=O)Cl N159268 [0,1,0,0,0,1|2,0,0]=4 477 B10R1.1 C1=CC(=CC=C1NC=O)F N159255 [0,1,0,0,0,1|2,0,0]=4 478 B10R1.1 CC1=CC=C(C=C1)CC=C A169644 [0,1,0,0,0,1|2,0,0]=4 479 B10R1.1 CC1=CC=C(C=C1)CC=O P586228 [0,1,0,0,0,1|1,0,0]=3 480 B10R1.1 CC1=CC=C(C=C1)N=C=O T106835 [0,1,0,0,0,1|1,0,1]=4 481 B10R1.1 CC1=CC=C(C=C1)NC=O M158337 [0,1,0,0,0,1|1,0,0]=3 482 B10R1.3 C#CC1=CC=C(C=C1)C=O E139128 [0,1,0,0,0,1|1,0,1]=4 483 B10R1.3 C1=CC(=CC=C1C=O)C#N F100751 [0,1,0,0,0,1|1,0,1]=4 484 B10R1.3 C1=CC(=CC=C1C=O)C=O P105980 [0,1,0,0,0,1|1,0,1]=4 485 B10R1.3 C1=CC(=CC=C1CBr)C=O B184885 [0,1,0,0,0,1|1,0,0]=3 486 B10R1.3 C1=CC(=CC=C1CCl)C=O C194802 [0,1,0,0,0,1|1,0,0]=3 487 B10R1.3 C1=CC(=CC=C1CO)C=O H193722 [0,1,0,0,0,1|1,0,0]=3 488 B10R1.3 C1=CC(=NC=C1C=O)C#N F181154 [0,1,0,0,0,1|1,0,1]=4 489 B10R1.3 C=CC1=CC=C(C=C1)C=O V587715 [0,1,0,0,0,1|1,0,1]=4 490 B10R1.3 C=CC1=CC=C(C=C1)CCl V141224 [0,1,0,0,0,1|2,0,0]=4 491 B10R1.3 C=CC1=CC=C(C=C1)CCl V592268 [0,1,0,0,0,1|2,0,0]=4 492 B10R1.3 C=CC1=CC=C(C=C1)CN V123986 [0,1,0,0,0,1|2,0,0]=4 493 B10R1.3 CCC1=CC=C(C=C1)C=O E102795 [0,1,0,0,0,1|1,0,0]=3 494 B10R1.3 COC1=CC=C(C=C1)C=C M103131 [0,1,0,0,0,1|2,0,0]=4 495 B10R1.3 COC1=CC=C(C=C1)C=O A108955 [0,1,0,0,0,1|1,0,0]=3 496 B10R1.3 COC1=CC=C(C=C1)C=O A108956 [0,1,0,0,0,1|1,0,0]=3 497 B10R1.3 COC1=CC=C(C=C1)C=O A108957 [0,1,0,0,0,1|1,0,0]=3 498 B10R1.3 COC1=CC=C(C=C1)C=O A108958 [0,1,0,0,0,1|1,0,0]=3 499 B10R1.3 COC1=CC=C(C=C1)C=O P421001 [0,1,0,0,0,1|1,0,0]=3 500 B10R1.3 COC1=CN=C(C=C1)C=O M182921 [0,1,0,0,0,1|1,0,0]=3 501 B10R1.3 COC1=NC=C(C=C1)C=O M115769 [0,1,0,0,0,1|1,0,0]=3 502 B10R1.3 COC1=NC=C(C=N1)C=O F337248 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.3 CSC1=CC=C(C=C1)C=O P133663 [0,1,0,0,0,1|1,0,0]=3 504 B10R1.3 CSC1=NC=C(C=N1)C=O M178139 [0,1,0,0,0,1|2,0,0]=4 505 B10R1.13 C1=CC(=CC=C1C(=O)Cl)Br B103223 [0,1,0,0,0,1|2,0,0]=4 506 B10R1.13 C1=CC(=CC=C1C(=O)Cl)Cl C106079 [0,1,0,0,0,1|2,0,0]=4 507 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F F109226 [0,1,0,0,0,1|2,0,0]=4 508 B10R1.13 C1=CC(=CC=C1C(=O)Cl)I I157591 [0,1,0,0,0,1|2,0,0]=4 509 B10R1.13 C1=CC(=CC=C1C(=O)N)Br B133990 [0,1,0,0,0,1|2,0,0]=4 510 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl C153725 [0,1,0,0,0,1|2,0,0]=4 511 B10R1.13 C1=CC(=CC=C1C(=O)N)F F109724 [0,1,0,0,0,1|2,0,0]=4 512 B10R1.13 C1=CC(=CC=C1C(=O)N)I I135499 [0,1,0,0,0,1|2,0,0]=4 513 B10R1.13 C1=CC(=CC=C1C(=O)N)N A107276 [0,1,0,0,0,1|2,0,0]=4 514 B10R1.13 C1=CC(=CC=C1C(=O)N)O H157094 [0,1,0,0,0,1|2,0,0]=4 515 B10R1.13 C1=CC(=CC=C1C(=O)O)Br B104344 [0,1,0,0,0,1|2,0,0]=4 516 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl C104333 [0,1,0,0,0,1|2,0,0]=4 517 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl C104334 [0,1,0,0,0,1|2,0,0]=4 518 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl C433417 [0,1,0,0,0,1|2,0,0]=4 519 B10R1.13 C1=CC(=CC=C1C(=O)O)F F105088 [0,1,0,0,0,1|2,0,0]=4 520 B10R1.13 C1=CC(=CC=C1C(=O)O)F F105089 [0,1,0,0,0,1|2,0,0]=4 521 B10R1.13 C1=CC(=CC=C1C(=O)O)I I105098 [0,1,0,0,0,1|2,0,0]=4 522 B10R1.13 C1=CC(=CC=C1C(=O)O)N A108862 [0,1,0,0,0,1|2,0,0]=4 523 B10R1.13 C1=CC(=CC=C1C(=O)O)N A108863 [0,1,0,0,0,1|2,0,0]=4 524 B10R1.13 C1=CC(=CC=C1C(=O)O)N A421766 [0,1,0,0,0,1|2,0,0]=4 525 B10R1.13 C1=CC(=CC=C1C(=O)O)N A432150 [0,1,0,0,0,1|2,0,0]=4 526 B10R1.13 C1=CC(=CC=C1C(=O)O)O H108508 [0,1,0,0,0,1|2,0,0]=4 527 B10R1.13 C1=CC(=CC=C1C(=O)O)O H108509 [0,1,0,0,0,1|2,0,0]=4 528 B10R1.13 C1=CC(=CC=C1C(=O)O)O P427231 [0,1,0,0,0,1|2,0,0]=4 529 B10R1.13 C1=CC(=CC=C1C(=O)O)S M100780 [0,1,0,0,0,1|2,0,0]=4 530 B10R1.13 C1=CC(=CC=C1C(=O)O)S M431355 [0,1,0,0,0,1|2,0,0]=4 531 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F S358726 [0,1,0,0,0,1|2,0,0]=4 532 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A111607 [0,1,0,0,0,1|2,0,0]=4 533 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A111608 [0,1,0,0,0,1|2,0,0]=4 534 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A167159 [0,1,0,0,0,1|2,0,0]=4 535 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A474259 [0,1,0,0,0,1|2,0,0]=4 536 B10R1.13 C1=CC(=CC=C1C(=O)[O-])O H105643 [0,1,0,0,0,1|2,0,0]=4 537 B10R1.13 C1=CC(=CC=C1C(=O)[O-])O H105644 [0,1,0,0,0,1|2,0,0]=4 538 B10R1.13 C1=CC(=NC=C1Br)C(=O)O B151859 [0,1,0,0,0,1|2,0,0]=4 539 B10R1.13 C1=CC(=NC=C1C(=O)Cl)Cl C113581 [0,1,0,0,0,1|2,0,0]=4 540 B10R1.13 C1=CC(=NC=C1C(=O)N)Br B187814 [0,1,0,0,0,1|2,0,0]=4 541 B10R1.13 C1=CC(=NC=C1C(=O)N)Cl C154058 [0,1,0,0,0,1|2,0,0]=4 542 B10R1.13 C1=CC(=NC=C1C(=O)N)N A112600 [0,1,0,0,0,1|2,0,0]=4 543 B10R1.13 C1=CC(=NC=C1C(=O)O)Br B151851 [0,1,0,0,0,1|2,0,0]=4 544 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl C128115 [0,1,0,0,0,1|2,0,0]=4 545 B10R1.13 C1=CC(=NC=C1C(=O)O)F F170170 [0,1,0,0,0,1|2,0,0]=4 546 B10R1.13 C1=CC(=NC=C1C(=O)O)N A113866 [0,1,0,0,0,1|2,0,0]=4 547 B10R1.13 C1=CC(=NC=C1Cl)C(=O)O C137081 [0,1,0,0,0,1|2,0,0]=4 548 B10R1.13 C1=CC(=NC=C1F)C(=O)O F137992 [0,1,0,0,0,1|2,0,0]=4 549 B10R1.13 C1=CC(=NC=C1N)C(=O)O A123111 [0,1,0,0,0,1|2,0,0]=4 550 B10R1.13 C1=CC(=NC=C1O)C(=O)O H156934 [0,1,0,0,0,1|2,0,0]=4 551 B10R1.13 C1=CC(=NN=C1C(=O)O)Cl C176650 [0,1,0,0,0,1|2,0,0]=4 552 B10R1.13 C1=CC(=NN=C1C(=O)O)N A176893 [0,1,0,0,0,1|2,0,0]=4 553 B10R1.13 C1=CC(=O)NC=C1C(=O)O H108017 [0,1,0,0,0,1|2,0,0]=4 554 B10R1.13 C1=CC(=O)NC=C1C(=O)O H108018 [0,1,0,0,0,1|2,0,0]=4 555 B10R1.13 C1=CC(=O)NC=C1C(=O)O H424315 [0,1,0,0,0,1|2,0,0]=4 556 B10R1.13 C1=CC(=O)NN=C1C(=O)O H157422 [0,1,0,0,0,1|2,0,0]=4 557 B10R1.13 C1=CC(=O)NN=C1C(=O)O O349543 [0,1,0,0,0,1|2,0,0]=4 558 B10R1.13 C1=CC(=O)OC=C1C(=O)O C153427 [0,1,0,0,0,1|1,0,0]=3 559 B10R1.13 C1=CC(=O)OC=C1C(=O)O C197213 [0,1,0,0,0,1|1,0,0]=3 560 B10R1.13 CC(=O)C1=CC=C(C=C1)Br B106981 [0,1,0,0,0,1|2,0,0]=4 561 B10R1.13 CC(=O)C1=CC=C(C=C1)Cl C103870 [0,1,0,0,0,1|2,0,0]=4 562 B10R1.13 CC(=O)C1=CC=C(C=C1)F F101384 [0,1,0,0,0,1|2,0,0]=4 563 B10R1.13 CC(=O)C1=CC=C(C=C1)I I107027 [0,1,0,0,0,1|2,0,0]=4 564 B10R1.13 CC(=O)C1=CC=C(C=C1)N A110613 [0,1,0,0,0,1|2,0,0]=4 565 B10R1.13 CC(=O)C1=CC=C(C=C1)N A110614 [0,1,0,0,0,1|2,0,0]=4 566 B10R1.13 CC(=O)C1=CC=C(C=C1)N A151685 [0,1,0,0,0,1|2,0,0]=4 567 B10R1.13 CC(=O)C1=CC=C(C=C1)O H102969 [0,1,0,0,0,1|2,0,0]=4 568 B10R1.13 CC(=O)C1=CC=C(C=C1)S M407301 [0,1,0,0,0,1|2,0,0]=4 569 B10R1.13 CC(=O)C1=CN=C(C=C1)Br B115765 [0,1,0,0,0,1|2,0,0]=4 570 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl A151743 [0,1,0,0,0,1|2,0,0]=4 571 B10R1.13 CC(=O)C1=CN=C(C=C1)F F186855 [0,1,0,0,0,1|2,0,0]=4 572 B10R1.13 CC(=O)C1=NC=C(C=C1)Br B182791 [0,1,0,0,0,1|2,0,0]=4 573 B10R1.13 CC(=O)C1=NC=C(C=C1)O H194521 [0,1,0,0,0,1|2,0,0]=4 574 B10R1.13 CC1=CC=C(C=C1)C(=C)C I157628 [0,1,0,0,0,1|2,0,0]=4 575 B10R1.13 CC1=CC=C(C=C1)C(=N)N M135239 [0,1,0,0,0,1|2,0,0]=4 576 B10R1.13 CC1=CC=C(C=C1)C(=O)C M106726 [0,1,0,0,0,1|1,0,0]=3 577 B10R1.13 CC1=CC=C(C=C1)C(=O)C M140798 [0,1,0,0,0,1|1,0,0]=3 578 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl T106376 [0,1,0,0,0,1|1,0,0]=3 579 B10R1.13 CC1=CC=C(C=C1)C(=O)N P160467 [0,1,0,0,0,1|1,0,0]=3 580 B10R1.13 CC1=CC=C(C=C1)C(=O)O T104320 [0,1,0,0,0,1|1,0,0]=3 581 B10R1.13 CC1=CC=C(C=C1)C(=O)O T119535 [0,1,0,0,0,1|1,0,0]=3 582 B10R1.13 CC1=CC=C(C=C1)C(=O)O T305431 [0,1,0,0,0,1|1,0,0]=3 583 B10R1.13 CC1=CC=C(C=C1)C(=S)N M140148 [0,1,0,0,0,1|1,1,0]=4 584 B10R1.13 CC1=CC=C(C=C1)S(=O)C M304998 [0,1,0,0,0,1|2,0,0]=4 585 B10R1.13 CC1=CC=C(C=C1)S(=O)N I168991 [0,1,0,0,0,1|2,0,0]=4 586 B10R1.13 CC1=CC=C(C=C1)S(=O)N S161364 [0,1,0,0,0,1|2,0,0]=4 587 B10R1.13 CC1=CC=C(C=C1)S(=O)[O-] L348763 [0,1,0,0,0,1|2,0,0]=4 588 B10R1.13 CC1=CC=C(C=C1)S(=O)[O-] S100400 [0,1,0,0,0,1|2,0,0]=4 589 B10R1.13 CC1=CC=C(C=C1)S(=O)[O-] S100401 [0,1,0,0,0,1|2,0,0]=4 590 B10R1.13 CC1=CC=C(C=C1)S(=O)[O-] S161159 [0,1,0,0,0,1|2,0,0]=4 591 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] N104645 [0,1,0,0,0,1|2,0,0]=4 592 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] N104647 [0,1,0,0,0,1|2,0,0]=4 593 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] N118455 [0,1,0,0,0,1|2,0,0]=4 594 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] N119545 [0,1,0,0,0,1|2,0,0]=4 595 B10R1.13 CC1=CN=C(C=C1)C(=O)C A185017 [0,1,0,0,0,1|1,0,0]=3 596 B10R1.13 CC1=CN=C(C=C1)C(=O)O M193433 [0,1,0,0,0,1|1,0,0]=3 597 B10R1.13 CC1=CN=C(C=C1)[N+](=O)[O-] N179288 [0,1,0,0,0,1|2,0,0]=4 598 B10R1.13 CC1=CN=C(C=N1)C(=O)O M106709 [0,1,0,0,0,1|2,0,0]=4 599 B10R1.13 CC1=NC=C(C=C1)C(=O)C A123439 [0,1,0,0,0,1|1,0,0]=3 600 B10R1.13 CC1=NC=C(C=C1)C(=O)N M139191 [0,1,0,0,0,1|1,0,0]=3 601 B10R1.13 CC1=NC=C(C=C1)C(=O)O M128104 [0,1,0,0,0,1|1,0,0]=3 602 B10R1.13 CC1=NC=C(C=C1)[N+](=O)[O-] M120570 [0,1,0,0,0,1|2,0,0]=4 603 B10R1.13 CC1=NC=C(C=N1)C(=O)O M120447 [0,1,0,0,0,1|2,0,0]=4 604 B10R1.25 C1=C(C(=CN=C1Cl)C=O)Cl D586277 [0,1,0,0,0,1|2,0,0]=4 605 B10R1.25 C1=C(C(=CN=C1Cl)C=O)N A586085 [0,1,0,0,0,1|2,0,0]=4 606 B10R1.25 C1=C(C=NC(=C1N)C=O)Br A173233 [0,1,0,0,0,1|2,0,0]=4 607 B10R1.25 C1=CC(=C(C=C1Br)Cl)C=O B132006 [0,1,0,0,0,1|2,0,0]=4 608 B10R1.25 C1=CC(=C(C=C1Br)F)C=O B113798 [0,1,0,0,0,1|2,0,0]=4 609 B10R1.25 C1=CC(=C(C=C1Br)O)C=O B124175 [0,1,0,0,0,1|2,0,0]=4 610 B10R1.25 C1=CC(=C(C=C1Cl)Br)C=O B177580 [0,1,0,0,0,1|2,0,0]=4 611 B10R1.25 C1=CC(=C(C=C1Cl)Cl)C=O D100690 [0,1,0,0,0,1|2,0,0]=4 612 B10R1.25 C1=CC(=C(C=C1Cl)F)C=O C120609 [0,1,0,0,0,1|2,0,0]=4 613 B10R1.25 C1=CC(=C(C=C1Cl)O)C=O C140242 [0,1,0,0,0,1|2,0,0]=4 614 B10R1.25 C1=CC(=C(C=C1F)Br)C=O B120674 [0,1,0,0,0,1|2,0,0]=4 615 B10R1.25 C1=CC(=C(C=C1F)Cl)C=O C120604 [0,1,0,0,0,1|2,0,0]=4 616 B10R1.25 C1=CC(=C(C=C1F)F)C=O D120656 [0,1,0,0,0,1|2,0,0]=4 617 B10R1.25 C1=CC(=C(C=C1F)O)C=O F124183 [0,1,0,0,0,1|2,0,0]=4 618 B10R1.25 C1=CC(=C(C=C1O)Br)C=O B588246 [0,1,0,0,0,1|2,0,0]=4 619 B10R1.25 C1=CC(=C(C=C1O)Cl)C=O W134215 [0,1,0,0,0,1|2,0,0]=4 620 B10R1.25 C1=CC(=C(C=C1O)F)C=O F124151 [0,1,0,0,0,1|2,0,0]=4 621 B10R1.25 C1=CC(=C(C=C1O)O)C=O D106474 [0,1,0,0,0,1|2,0,0]=4 622 B10R1.25 C1=CC(=NC(=C1C=O)Cl)Br B165963 [0,1,0,0,0,1|2,0,0]=4 623 B10R1.25 C1=CC(=NC(=C1C=O)Cl)Cl D154201 [0,1,0,0,0,1|2,0,0]=4 624 B10R1.25 C1=CC(=NC(=C1C=O)F)F D181754 [0,1,0,0,0,1|2,0,0]=4 625 B10R1.25 CC1=C(C=CC(=C1)Br)C=O B134372 [0,1,0,0,0,1|2,0,0]=4 626 B10R1.25 CC1=C(C=CC(=C1)Cl)C=O C193235 [0,1,0,0,0,1|2,0,0]=4 627 B10R1.25 CC1=C(C=CC(=C1)F)C=O F120645 [0,1,0,0,0,1|2,0,0]=4 628 B10R1.25 CC1=C(C=CC(=N1)Cl)C=O C187655 [0,1,0,0,0,1|2,0,0]=4 629 B10R1.25 CC1=CC(=C(C=C1)C=O)Br B186774 [0,1,0,0,0,1|1,0,0]=3 630 B10R1.25 CC1=CC(=C(C=C1)C=O)C D103125 [0,1,0,0,0,1|1,0,0]=3 631 B10R1.25 CC1=CC(=C(C=C1)C=O)Cl C135937 [0,1,0,0,0,1|1,0,0]=3 632 B10R1.25 CC1=CC(=C(C=C1)C=O)F F120634 [0,1,0,0,0,1|1,0,0]=3 633 B10R1.25 CC1=CC(=C(C=C1)C=O)O H124155 [0,1,0,0,0,1|1,0,0]=3 634 B10R1.25 CC1=CC(=CN=C1C=O)Br B355007 [0,1,0,0,0,1|2,0,0]=4 635 B10R1.25 CC1=CC(=NC=C1C=O)Cl C187656 [0,1,0,0,0,1|2,0,0]=4 636 B10R1.176 C1=C(C=NC(=C1F)Br)C=O B586695 [0,1,0,0,0,1|2,0,0]=4 637 B10R1.176 C1=CC(=C(C=C1C=O)Br)Br D133582 [0,1,0,0,0,1|2,0,0]=4 638 B10R1.176 C1=CC(=C(C=C1C=O)Br)Cl B590391 [0,1,0,0,0,1|2,0,0]=4 639 B10R1.176 C1=CC(=C(C=C1C=O)Br)F B120677 [0,1,0,0,0,1|2,0,0]=4 640 B10R1.176 C1=CC(=C(C=C1C=O)Br)O B102178 [0,1,0,0,0,1|2,0,0]=4 641 B10R1.176 C1=CC(=C(C=C1C=O)Cl)Br B190026 [0,1,0,0,0,1|2,0,0]=4 642 B10R1.176 C1=CC(=C(C=C1C=O)Cl)Cl D100689 [0,1,0,0,0,1|2,0,0]=4 643 B10R1.176 C1=CC(=C(C=C1C=O)Cl)F C120608 [0,1,0,0,0,1|2,0,0]=4 644 B10R1.176 C1=CC(=C(C=C1C=O)Cl)O C133077 [0,1,0,0,0,1|2,0,0]=4 645 B10R1.176 C1=CC(=C(C=C1C=O)F)Br B120678 [0,1,0,0,0,1|2,0,0]=4 646 B10R1.176 C1=CC(=C(C=C1C=O)F)Cl C120611 [0,1,0,0,0,1|2,0,0]=4 647 B10R1.176 C1=CC(=C(C=C1C=O)F)F D120660 [0,1,0,0,0,1|2,0,0]=4 648 B10R1.176 C1=CC(=C(C=C1C=O)F)O F124318 [0,1,0,0,0,1|2,0,0]=4 649 B10R1.176 C1=CC(=C(C=C1C=O)I)O H194131 [0,1,0,0,0,1|2,0,0]=4 650 B10R1.176 C1=CC(=C(C=C1C=O)O)O D108634 [0,1,0,0,0,1|2,0,0]=4 651 B10R1.176 C1=CC(=C(C=C1C=O)O)O D108636 [0,1,0,0,0,1|2,0,0]=4 652 B10R1.176 C1=CC(=C(C=C1C=O)O)O D130075 [0,1,0,0,0,1|2,0,0]=4 653 B10R1.176 CC1=C(C=C(C=C1)C=O)Br B153186 [0,1,0,0,0,1|1,0,0]=3 654 B10R1.176 CC1=C(C=C(C=C1)C=O)C D123177 [0,1,0,0,0,1|1,0,0]=3 655 B10R1.176 CC1=C(C=C(C=C1)C=O)Cl C124170 [0,1,0,0,0,1|1,0,0]=3 656 B10R1.176 CC1=C(C=C(C=C1)C=O)F F124173 [0,1,0,0,0,1|1,0,0]=3 657 B10R1.176 CC1=C(C=CC(=C1)C=O)Br B186637 [0,1,0,0,0,1|2,0,0]=4 658 B10R1.176 CC1=C(C=CC(=C1)C=O)Cl C353131 [0,1,0,0,0,1|2,0,0]=4 659 B10R1.176 CC1=C(C=CC(=C1)C=O)F F120646 [0,1,0,0,0,1|2,0,0]=4 660 B10R1.176 CC1=C(C=CC(=C1)C=O)O H124186 [0,1,0,0,0,1|2,0,0]=4 661 B10R1.2 C1=CC(=C(C(=C1)Br)Br)C=O D194209 [0,1,0,0,0,1|2,0,0]=4 662 B10R1.2 C1=CC(=C(C(=C1)Br)Cl)C=O B190014 [0,1,0,0,0,1|2,0,0]=4 663 B10R1.2 C1=CC(=C(C(=C1)Br)F)C=O B181638 [0,1,0,0,0,1|2,0,0]=4 664 B10R1.2 C1=CC(=C(C(=C1)Br)N)C=O A190962 [0,1,0,0,0,1|2,0,0]=4 665 B10R1.2 C1=CC(=C(C(=C1)Br)O)C=O B124166 [0,1,0,0,0,1|2,0,0]=4 666 B10R1.2 C1=CC(=C(C(=C1)Cl)Cl)C=O D109457 [0,1,0,0,0,1|2,0,0]=4 667 B10R1.2 C1=CC(=C(C(=C1)Cl)F)C=O C120607 [0,1,0,0,0,1|2,0,0]=4 668 B10R1.2 C1=CC(=C(C(=C1)Cl)O)C=O C131823 [0,1,0,0,0,1|2,0,0]=4 669 B10R1.2 C1=CC(=C(C(=C1)F)Cl)C=O C124145 [0,1,0,0,0,1|2,0,0]=4 670 B10R1.2 C1=CC(=C(C(=C1)F)F)C=O D120651 [0,1,0,0,0,1|2,0,0]=4 671 B10R1.2 C1=CC(=C(C(=C1)F)O)C=O F124494 [0,1,0,0,0,1|2,0,0]=4 672 B10R1.2 C1=CC(=C(C(=C1)O)Br)C=O B182471 [0,1,0,0,0,1|2,0,0]=4 673 B10R1.2 C1=CC(=C(C(=C1)O)Cl)C=O C193994 [0,1,0,0,0,1|2,0,0]=4 674 B10R1.2 C1=CC(=C(C(=C1)O)F)C=O F586213 [0,1,0,0,0,1|2,0,0]=4 675 B10R1.2 C1=CC(=C(C(=C1)O)O)C=O D122910 [0,1,0,0,0,1|2,0,0]=4 676 B10R1.2 C1=CN=C(C(=C1C=O)F)Br B352690 [0,1,0,0,0,1|2,0,0]=4 677 B10R1.2 C1=CN=C(C(=C1C=O)F)Cl C134116 [0,1,0,0,0,1|2,0,0]=4 678 B10R1.2 CC1=C(C(=CC=C1)C=O)Br B189639 [0,1,0,0,0,1|1,0,0]=3 679 B10R1.2 CC1=C(C(=CC=C1)C=O)C D122616 [0,1,0,0,0,1|1,0,0]=3 680 B10R1.2 CC1=C(C(=CC=C1)C=O)F F187765 [0,1,0,0,0,1|1,0,0]=3 681 B10R1.2 CC1=C(C(=CC=C1)C=O)O M124154 [0,1,0,0,0,1|1,0,0]=3 682 B10R1.2 CC1=C(C=CC=C1Br)C=O B186829 [0,1,0,0,0,1|2,0,0]=4 683 B10R1.2 CC1=C(C=CC=C1F)C=O F120638 [0,1,0,0,0,1|2,0,0]=4 684 B10R1.8 C1=C(C=C(C=C1Br)Br)C=O D122363 [0,1,0,0,0,1|2,0,0]=4 685 B10R1.8 C1=C(C=C(C=C1Cl)Br)C=O B124167 [0,1,0,0,0,1|2,0,0]=4 686 B10R1.8 C1=C(C=C(C=C1Cl)Cl)C=O D100637 [0,1,0,0,0,1|2,0,0]=4 687 B10R1.8 C1=C(C=C(C=C1F)Br)C=O B140241 [0,1,0,0,0,1|2,0,0]=4 688 B10R1.8 C1=C(C=C(C=C1F)Cl)C=O C122613 [0,1,0,0,0,1|2,0,0]=4 689 B10R1.8 C1=C(C=C(C=C1F)F)C=O D120912 [0,1,0,0,0,1|2,0,0]=4 690 B10R1.8 C1=C(C=C(C=C1O)Br)C=O B191889 [0,1,0,0,0,1|2,0,0]=4 691 B10R1.8 C1=C(C=C(C=C1O)F)C=O F586168 [0,1,0,0,0,1|2,0,0]=4 692 B10R1.8 C1=C(C=C(C=C1O)O)C=O D120469 [0,1,0,0,0,1|2,0,0]=4 693 B10R1.8 C1=C(C=C(N=C1Cl)Cl)C=O D467591 [0,1,0,0,0,1|2,0,0]=4 694 B10R1.8 CC1=CC(=CC(=C1)C=O)C D155984 [0,1,0,0,0,1|1,0,0]=3 695 B10R1.8 CC1=CC(=CC(=C1)F)C=O F120642 [0,1,0,0,0,1|1,0,0]=3 696 B10R1.8 CC1=CC(=CC(=C1)F)C=O F140815 [0,1,0,0,0,1|1,0,0]=3 697 B10R1.10 CC1=CC(=CC=C1)CC=C A169645 [0,1,0,0,0,1|2,0,0]=4 698 B10R1.10 CC1=CC(=CC=C1)N=C=O M103625 [0,1,0,0,0,1|1,0,1]=4 699 B10R1.30 C1=C(C(=O)NC=C1Br)C=O B586699 [0,1,0,0,0,1|2,0,0]=4 700 B10R1.30 C1=C(C=NC(=C1C=O)Cl)Br W137533 [0,1,0,0,0,1|2,0,0]=4 701 B10R1.30 C1=C(C=NC(=C1C=O)Cl)Cl D167963 [0,1,0,0,0,1|2,0,0]=4 702 B10R1.30 C1=C(C=NC(=C1C=O)Cl)F C177643 [0,1,0,0,0,1|2,0,0]=4 703 B10R1.30 C1=C(C=NC(=C1C=O)F)Br B136504 [0,1,0,0,0,1|2,0,0]=4 704 B10R1.30 C1=C(C=NC(=C1C=O)F)Cl C187607 [0,1,0,0,0,1|2,0,0]=4 705 B10R1.30 C1=C(C=NC(=C1C=O)N)Br A182672 [0,1,0,0,0,1|2,0,0]=4 706 B10R1.30 C1=C(C=NC(=C1C=O)N)I A479206 [0,1,0,0,0,1|2,0,0]=4 707 B10R1.30 C1=C(N=C(C(=N1)N)C=O)Br A302544 [0,1,0,0,0,1|2,0,0]=4 708 B10R1.30 C1=CC(=C(C=C1Br)C=O)Br D124137 [0,1,0,0,0,1|2,0,0]=4 709 B10R1.30 C1=CC(=C(C=C1Br)C=O)Cl B151890 [0,1,0,0,0,1|2,0,0]=4 710 B10R1.30 C1=CC(=C(C=C1Br)C=O)F B120603 [0,1,0,0,0,1|2,0,0]=4 711 B10R1.30 C1=CC(=C(C=C1Br)C=O)I B186034 [0,1,0,0,0,1|2,0,0]=4 712 B10R1.30 C1=CC(=C(C=C1Br)C=O)N A588597 [0,1,0,0,0,1|2,0,0]=4 713 B10R1.30 C1=CC(=C(C=C1Br)C=O)O B132288 [0,1,0,0,0,1|2,0,0]=4 714 B10R1.30 C1=CC(=C(C=C1Cl)C=O)Br B124143 [0,1,0,0,0,1|2,0,0]=4 715 B10R1.30 C1=CC(=C(C=C1Cl)C=O)Cl D112713 [0,1,0,0,0,1|2,0,0]=4 716 B10R1.30 C1=CC(=C(C=C1Cl)C=O)F C120622 [0,1,0,0,0,1|2,0,0]=4 717 B10R1.30 C1=CC(=C(C=C1Cl)C=O)N A133168 [0,1,0,0,0,1|2,0,0]=4 718 B10R1.30 C1=CC(=C(C=C1Cl)C=O)O C109465 [0,1,0,0,0,1|2,0,0]=4 719 B10R1.30 C1=CC(=C(C=C1F)C=O)Br B120675 [0,1,0,0,0,1|2,0,0]=4 720 B10R1.30 C1=CC(=C(C=C1F)C=O)Cl C120605 [0,1,0,0,0,1|2,0,0]=4 721 B10R1.30 C1=CC(=C(C=C1F)C=O)F D100613 [0,1,0,0,0,1|2,0,0]=4 722 B10R1.30 C1=CC(=C(C=C1F)C=O)O F122617 [0,1,0,0,0,1|2,0,0]=4 723 B10R1.30 C1=CC(=C(C=C1I)C=O)Br B189413 [0,1,0,0,0,1|2,0,0]=4 724 B10R1.30 C1=CC(=C(C=C1I)C=O)F F124152 [0,1,0,0,0,1|2,0,0]=4 725 B10R1.30 C1=CC(=C(C=C1I)C=O)O H182151 [0,1,0,0,0,1|2,0,0]=4 726 B10R1.30 C1=CC(=C(C=C1O)C=O)Br B135432 [0,1,0,0,0,1|2,0,0]=4 727 B10R1.30 C1=CC(=C(C=C1O)C=O)F F178939 [0,1,0,0,0,1|2,0,0]=4 728 B10R1.30 C1=CC(=C(C=C1O)C=O)O D109443 [0,1,0,0,0,1|2,0,0]=4 729 B10R1.30 C1=CC(=NC(=C1F)C=O)Br B177927 [0,1,0,0,0,1|2,0,0]=4 730 B10R1.30 C1=CC(=NC(=C1F)C=O)Cl C195531 [0,1,0,0,0,1|2,0,0]=4 731 B10R1.30 CC1=C(C=C(C=C1)Br)C=O B153185 [0,1,0,0,0,1|2,0,0]=4 732 B10R1.30 CC1=C(C=C(C=C1)Cl)C=O C589582 [0,1,0,0,0,1|2,0,0]=4 733 B10R1.30 CC1=C(C=C(C=C1)F)C=O F120647 [0,1,0,0,0,1|2,0,0]=4 734 B10R1.30 CC1=CC(=C(C=C1)Br)C=O B187963 [0,1,0,0,0,1|1,0,0]=3 735 B10R1.30 CC1=CC(=C(C=C1)C)C=C D168401 [0,1,0,0,0,1|2,0,0]=4 736 B10R1.30 CC1=CC(=C(C=C1)C)C=O D301675 [0,1,0,0,0,1|1,0,0]=3 737 B10R1.30 CC1=CC(=C(C=C1)F)C=O F120636 [0,1,0,0,0,1|1,0,0]=3 738 B10R1.30 CC1=CC(=C(C=C1)F)C=O F140814 [0,1,0,0,0,1|1,0,0]=3 739 B10R1.30 CC1=CC(=C(C=C1)O)C=O M157866 [0,1,0,0,0,1|1,0,0]=3 740 B10R1.30 CC1=CC(=C(N=C1)Cl)C=O C188299 [0,1,0,0,0,1|1,0,0]=3 741 B10R1.113 C1=C(C=NC=C1Br)C(=O)N B138608 [0,1,0,0,0,1|2,0,0]=4 742 B10R1.113 C1=C(C=NC=C1Br)C(=O)O B124275 [0,1,0,0,0,1|2,0,0]=4 743 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O C128099 [0,1,0,0,0,1|2,0,0]=4 744 B10R1.113 C1=C(C=NC=C1F)C(=O)O F136605 [0,1,0,0,0,1|2,0,0]=4 745 B10R1.113 C1=C(C=NC=C1N)C(=O)O A128112 [0,1,0,0,0,1|2,0,0]=4 746 B10R1.113 C1=C(C=NC=C1O)C(=O)O H128109 [0,1,0,0,0,1|2,0,0]=4 747 B10R1.113 C1=C(N=C(C=N1)Cl)C(=O)O C154052 [0,1,0,0,0,1|2,0,0]=4 748 B10R1.113 C1=CC(=CC(=C1)Br)C(=O)Cl B101887 [0,1,0,0,0,1|2,0,0]=4 749 B10R1.113 C1=CC(=CC(=C1)Br)C(=O)N B152344 [0,1,0,0,0,1|2,0,0]=4 750 B10R1.113 C1=CC(=CC(=C1)Br)C(=O)O B109683 [0,1,0,0,0,1|2,0,0]=4 751 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)Cl C106156 [0,1,0,0,0,1|2,0,0]=4 752 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)Cl C129117 [0,1,0,0,0,1|2,0,0]=4 753 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N C153726 [0,1,0,0,0,1|2,0,0]=4 754 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O C104330 [0,1,0,0,0,1|2,0,0]=4 755 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl F110292 [0,1,0,0,0,1|2,0,0]=4 756 B10R1.113 C1=CC(=CC(=C1)F)C(=O)N F156683 [0,1,0,0,0,1|2,0,0]=4 757 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O F107118 [0,1,0,0,0,1|2,0,0]=4 758 B10R1.113 C1=CC(=CC(=C1)F)C(=O)[O-] S358727 [0,1,0,0,0,1|2,0,0]=4 759 B10R1.113 C1=CC(=CC(=C1)I)C(=O)Cl I157680 [0,1,0,0,0,1|2,0,0]=4 760 B10R1.113 C1=CC(=CC(=C1)I)C(=O)N I404597 [0,1,0,0,0,1|2,0,0]=4 761 B10R1.113 C1=CC(=CC(=C1)I)C(=O)O I104409 [0,1,0,0,0,1|2,0,0]=4 762 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N A107207 [0,1,0,0,0,1|2,0,0]=4 763 B10R1.113 C1=CC(=CC(=C1)N)C(=O)O A104352 [0,1,0,0,0,1|2,0,0]=4 764 B10R1.113 C1=CC(=CC(=C1)N)C(=O)O A137766 [0,1,0,0,0,1|2,0,0]=4 765 B10R1.113 C1=CC(=CC(=C1)O)C(=O)N H404550 [0,1,0,0,0,1|2,0,0]=4 766 B10R1.113 C1=CC(=CC(=C1)O)C(=O)O H104349 [0,1,0,0,0,1|2,0,0]=4 767 B10R1.113 C1=CC(=CC(=C1)O)C(=O)O H427216 [0,1,0,0,0,1|2,0,0]=4 768 B10R1.113 C1=CC(=CC(=C1)O)C(=O)[O-] S161402 [0,1,0,0,0,1|2,0,0]=4 769 B10R1.113 C1=CC(=CC(=C1)S)C(=O)O M101798 [0,1,0,0,0,1|2,0,0]=4 770 B10R1.113 C1=CC(=NC(=C1)Br)C(=O)N B183154 [0,1,0,0,0,1|2,0,0]=4 771 B10R1.113 C1=CC(=NC(=C1)Br)C(=O)O B151857 [0,1,0,0,0,1|2,0,0]=4 772 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)N C186147 [0,1,0,0,0,1|2,0,0]=4 773 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O C117221 [0,1,0,0,0,1|2,0,0]=4 774 B10R1.113 C1=CC(=NC(=C1)F)C(=O)O F122664 [0,1,0,0,0,1|2,0,0]=4 775 B10R1.113 C1=CC(=NC(=C1)I)C(=O)O I170942 [0,1,0,0,0,1|2,0,0]=4 776 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O A120659 [0,1,0,0,0,1|2,0,0]=4 777 B10R1.113 C1=CC(=O)NC(=C1)C(=O)O H101722 [0,1,0,0,0,1|2,0,0]=4 778 B10R1.113 C1=CN=C(C=C1Br)C(=O)N B176958 [0,1,0,0,0,1|2,0,0]=4 779 B10R1.113 C1=CN=C(C=C1Br)C(=O)O B151863 [0,1,0,0,0,1|2,0,0]=4 780 B10R1.113 C1=CN=C(C=C1C(=O)N)Cl C492340 [0,1,0,0,0,1|2,0,0]=4 781 B10R1.113 C1=CN=C(C=C1C(=O)N)N A151619 [0,1,0,0,0,1|2,0,0]=4 782 B10R1.113 C1=CN=C(C=C1C(=O)O)Br B122675 [0,1,0,0,0,1|2,0,0]=4 783 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl C101720 [0,1,0,0,0,1|2,0,0]=4 784 B10R1.113 C1=CN=C(C=C1C(=O)O)F F119655 [0,1,0,0,0,1|2,0,0]=4 785 B10R1.113 C1=CN=C(C=C1C(=O)O)I I123870 [0,1,0,0,0,1|2,0,0]=4 786 B10R1.113 C1=CN=C(C=C1C(=O)O)N A102449 [0,1,0,0,0,1|2,0,0]=4 787 B10R1.113 C1=CN=C(C=C1Cl)C(=O)N C124193 [0,1,0,0,0,1|2,0,0]=4 788 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O C107903 [0,1,0,0,0,1|2,0,0]=4 789 B10R1.113 C1=CN=C(C=C1I)C(=O)O I176420 [0,1,0,0,0,1|2,0,0]=4 790 B10R1.113 C1=CN=C(C=C1N)C(=O)N A586082 [0,1,0,0,0,1|2,0,0]=4 791 B10R1.113 C1=CN=C(C=C1N)C(=O)O A165325 [0,1,0,0,0,1|2,0,0]=4 792 B10R1.113 C1=CN=C(N=C1C(=O)O)N A182823 [0,1,0,0,0,1|2,0,0]=4 793 B10R1.113 C1=CNC(=CC1=O)C(=O)O H138523 [0,1,0,0,0,1|2,0,0]=4 794 B10R1.113 C1=CNC(=O)C=C1C(=O)O H140139 [0,1,0,0,0,1|2,0,0]=4 795 B10R1.113 C1=COC(=CC1=O)C(=O)O C153746 [0,1,0,0,0,1|2,0,0]=4 796 B10R1.113 CC(=O)C1=CC(=CC=C1)Br B106964 [0,1,0,0,0,1|2,0,0]=4 797 B10R1.113 CC(=O)C1=CC(=CC=C1)Cl C139514 [0,1,0,0,0,1|2,0,0]=4 798 B10R1.113 CC(=O)C1=CC(=CC=C1)F F122012 [0,1,0,0,0,1|2,0,0]=4 799 B10R1.113 CC(=O)C1=CC(=CC=C1)F F299100 [0,1,0,0,0,1|2,0,0]=4 800 B10R1.113 CC(=O)C1=CC(=CC=C1)I I122014 [0,1,0,0,0,1|2,0,0]=4 801 B10R1.113 CC(=O)C1=CC(=CC=C1)N A107200 [0,1,0,0,0,1|2,0,0]=4 802 B10R1.113 CC(=O)C1=CC(=CC=C1)O H106329 [0,1,0,0,0,1|2,0,0]=4 803 B10R1.113 CC(=O)C1=CC(=CN=C1)Br B107717 [0,1,0,0,0,1|2,0,0]=4 804 B10R1.113 CC(=O)C1=CC(=NC=C1)Cl C135382 [0,1,0,0,0,1|2,0,0]=4 805 B10R1.113 CC(=O)C1=NC(=CC=C1)Br A115764 [0,1,0,0,0,1|2,0,0]=4 806 B10R1.113 CC(=O)C1=NC=CC(=C1)Br B586273 [0,1,0,0,0,1|2,0,0]=4 807 B10R1.113 CC1=CC(=CC=C1)C(=C)C D302222 [0,1,0,0,0,1|2,0,0]=4 808 B10R1.113 CC1=CC(=CC=C1)C(=O)C M122466 [0,1,0,0,0,1|1,0,0]=3 809 B10R1.113 CC1=CC(=CC=C1)C(=O)Cl T101293 [0,1,0,0,0,1|1,0,0]=3 810 B10R1.113 CC1=CC(=CC=C1)C(=O)Cl T299642 [0,1,0,0,0,1|1,0,0]=3 811 B10R1.113 CC1=CC(=CC=C1)C(=O)N B300415 [0,1,0,0,0,1|1,0,0]=3 812 B10R1.113 CC1=CC(=CC=C1)C(=O)O T112606 [0,1,0,0,0,1|1,0,0]=3 813 B10R1.113 CC1=CC(=CC=C1)[N+](=O)[O-] N105604 [0,1,0,0,0,1|2,0,0]=4 814 B10R1.113 CC1=CC(=CC=C1)[N+](=O)[O-] N105605 [0,1,0,0,0,1|2,0,0]=4 815 B10R1.113 CC1=CC(=CC=C1)[N+](=O)[O-] N105606 [0,1,0,0,0,1|2,0,0]=4 816 B10R1.113 CC1=CC(=CC=C1)[N+](=O)[O-] N105608 [0,1,0,0,0,1|2,0,0]=4 817 B10R1.113 CC1=CC(=CN=C1)C(=O)O M111432 [0,1,0,0,0,1|1,0,0]=3 818 B10R1.113 CC1=CC(=NC=C1)C(=O)C A115766 [0,1,0,0,0,1|1,0,0]=3 819 B10R1.113 CC1=CN=CC(=N1)C(=O)O M193891 [0,1,0,0,0,1|1,0,0]=3 820 B10R1.113 CC1=NC(=CC=C1)C(=O)C A194623 [0,1,0,0,0,1|1,0,0]=3 821 B10R1.113 CC1=NC(=CC=C1)C(=O)O M120707 [0,1,0,0,0,1|1,0,0]=3 822 B10R1.113 CC1=NC=CC(=C1)C(=O)O M119074 [0,1,0,0,0,1|1,0,0]=3 823 B10R1.113 CC1=NC=CC(=C1)[N+](=O)[O-] M122387 [0,1,0,0,0,1|2,0,0]=4 824 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N C153426 [0,1,0,0,0,1|2,0,0]=4 825 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O T161974 [0,1,0,0,0,1|2,0,0]=4 826 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O T425085 [0,1,0,0,0,1|2,0,0]=4 827 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] T345622 [0,1,0,0,0,1|2,0,0]=4 828 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] T424578 [0,1,0,0,0,1|2,0,0]=4 829 B10R1.113 C[n+]1cccc(c1)C(=O)N N612422 [0,1,0,0,0,1|2,0,0]=4 830 B10R1.172 C1=C(C=NC=C1C#N)C=O F177238 [0,1,0,0,0,1|1,0,1]=4 831 B10R1.172 C1=CC(=CC(=C1)C#N)C=O F100743 [0,1,0,0,0,1|1,0,1]=4 832 B10R1.172 C1=CC(=CC(=C1)C=O)C=O I106945 [0,1,0,0,0,1|1,0,1]=4 833 B10R1.172 C1=CC(=CC(=C1)C=O)CBr B186757 [0,1,0,0,0,1|1,0,0]=3 834 B10R1.172 C1=CC(=NC(=C1)C=O)C=O P123453 [0,1,0,0,0,1|1,0,1]=4 835 B10R1.172 C=CC1=CC(=CC=C1)C=O V168330 [0,1,0,0,0,1|1,0,1]=4 836 B10R1.172 CCC1=CC(=CC=C1)C=O E192849 [0,1,0,0,0,1|1,0,0]=3 837 B10R1.172 COC1=CC=CC(=C1)C=C V339129 [0,1,0,0,0,1|2,0,0]=4 838 B10R1.172 COC1=CC=CC(=C1)C=O M106420 [0,1,0,0,0,1|1,0,0]=3 839 B10R1.172 COC1=CC=CC(=N1)C=O M115767 [0,1,0,0,0,1|1,0,0]=3 840 B10R1.172 COC1=CN=CC(=C1)C=O M115768 [0,1,0,0,0,1|1,0,0]=3 841 B10R1.172 COC1=NC=CC(=C1)C=O M177294 [0,1,0,0,0,1|1,0,0]=3 842 B10R1.172 CSC1=NC=CC(=N1)C=O M171907 [0,1,0,0,0,1|1,0,0]=3 843 B10R1.14 C1=C(SC(=C1)Cl)C(=O)CBr B185332 [0,2,0,0,0,0|1,1,0]=4 844 B10R1.14 CC1=CC=C(N1)C(=O)OC M586547 [0,2,0,0,0,0|1,0,0]=3 845 B10R1.14 CC1=CC=C(O1)C(=O)OC M192320 [0,2,0,0,0,0|0,0,0]=2 846 B10R1.14 CC1=CC=C(S1)C(=O)OC M182448 [0,2,0,0,0,0|0,1,0]=3 847 B10R1.14 CC1=CSC(=N1)C(=O)OC M587284 [0,2,0,0,0,0|2,0,0]=4 848 B10R1.14 CCC(=O)C1=CC=C(O1)C M158535 [0,2,0,0,0,0|0,0,0]=2 849 B10R1.14 CCC(=O)C1=CC=C(S1)Br B169569 [0,2,0,0,0,0|1,1,0]=4 850 B10R1.14 COC(=O)C1=CC=C(N1)Cl M587682 [0,2,0,0,0,0|2,0,0]=4 851 B10R1.14 COC(=O)C1=CC=C(O1)Br M137548 [0,2,0,0,0,0|1,0,0]=3 852 B10R1.14 COC(=O)C1=CC=C(S1)Br M176962 [0,2,0,0,0,0|1,1,0]=4 853 B10R1.14 COC(=O)C1=CC=C(S1)Cl M303523 [0,2,0,0,0,0|1,1,0]=4 854 B10R1.16 CC1=CC=C(O1)CCC=O M157833 [0,2,0,0,0,0|0,0,0]=2 855 B10R1.54 CC1=CC=C(O1)CN(C)C N159188 [0,2,0,0,0,0|1,0,1]=4 856 B10R1.96 CCCC1=NC=C(S1)C=O P400396 [0,2,0,0,0,0|1,1,0]=4 857 B10R1.96 COCC1=CC=C(O1)C=O M191811 [0,2,0,0,0,0|0,0,0]=2 858 B10R1.31 B(C1=CC=C(O1)C=O)(O)O F100749 [0,2,0,0,0,0|1,0,0]=3 859 B10R1.31 B(C1=CC=C(S1)C=O)(O)O F100753 [0,2,0,0,0,0|1,1,0]=4 860 B10R1.31 C1=C(OC(=C1)C(=O)O)C=O F156654 [0,2,0,0,0,0|0,0,1]=3 861 B10R1.31 C1=C(OC(=C1)C(=O)O)CO H185705 [0,2,0,0,0,0|0,0,0]=2 862 B10R1.31 C1=C(OC(=C1)C(=O)O)CO H425212 [0,2,0,0,0,0|0,0,0]=2 863 B10R1.31 C1=C(OC(=C1)[N+](=O)[O-])C=O N159009 [0,2,0,0,0,0|1,0,0]=3 864 B10R1.31 C1=C(OC(=C1)[N+](=O)[O-])CBr B468936 [0,2,0,0,0,0|1,0,0]=3 865 B10R1.31 C1=C(OC(=C1)[N+](=O)[O-])CO N169013 [0,2,0,0,0,0|1,0,0]=3 866 B10R1.31 C1=C(SC(=C1)C(=O)O)C=O F156760 [0,2,0,0,0,0|0,1,1]=4 867 B10R1.31 C1=C(SC(=C1)[N+](=O)[O-])C=O N138859 [0,2,0,0,0,0|1,1,0]=4 868 B10R1.31 CC(=O)C1=CC=C(S1)C#N A136066 [0,2,0,0,0,0|0,1,1]=4 869 B10R1.31 CN(C)C1=CC=C(S1)C=O D192265 [0,2,0,0,0,0|0,1,0]=3 870 B10R1.35 CN1C=C(C=C1C#N)C=O F346838 [0,2,0,0,0,0|2,0,0]=4 871 B10R1.59 CC1=C(SC(=C1)Br)C(=O)O B588952 [0,2,0,0,0,0|1,1,0]=4 872 B10R1.59 CC1=C(SC(=N1)C)C(=O)C A151209 [0,2,0,0,0,0|1,1,0]=4 873 B10R1.59 CC1=C(SC(=N1)C)C(=O)O D135960 [0,2,0,0,0,0|1,1,0]=4 874 B10R1.59 CC1=CC(=C(O1)C)C(=O)C A151396 [0,2,0,0,0,0|2,0,0]=4 875 B10R1.59 CC1=CC(=C(O1)C)C(=O)O D154957 [0,2,0,0,0,0|2,0,0]=4 876 B10R1.59 CC1=CC(=C(S1)C)C(=O)C A113373 [0,2,0,0,0,0|2,0,0]=4 877 B10R1.59 CC1=CC(=C(S1)N)C(=O)O A170263 [0,2,0,0,0,0|2,0,0]=4 878 B10R1.59 CC1=CC(=NN1C(=O)N)C D154765 [0,2,0,0,0,0|2,0,0]=4 879 B10R1.59 CN1C=C(C(=N1)C(=O)O)Br B344924 [0,2,0,0,0,0|2,0,0]=4 880 B10R1.58 C1=C(OC(=C1Br)Br)C(=O)O D168951 [0,2,0,0,0,0|1,0,0]=3 881 B10R1.58 C1=C(SC(=C1Cl)Cl)C(=O)O D192659 [0,2,0,0,0,0|1,1,0]=4 882 B10R1.58 CC1=CC(=NN1C)C(=O)O H304036 [0,2,0,0,0,0|2,0,0]=4 883 B10R1.55 CC1=CC=C(O1)C(F)(F)F M341408 [0,2,0,0,0,0|1,0,1]=4 884 B10R1.194 CC1=C(C=CN1C)C(=O)O D195681 [0,2,0,0,0,0|2,0,0]=4 885 B10R1.194 CC1=CC=C(N1C)C(=O)O D347696 [0,2,0,0,0,0|1,0,0]=3 886 B8R1.2 C1=CC(=CN=C1)C=O P106877 [0,0,1,1,0,0|2,0,0]=4 887 B8R1.2 C1=CC=C(C=C1)C=O B110459 [0,0,1,1,0,0|1,0,1]=4 888 B8R1.2 C1=CC=C(C=C1)C=O B110460 [0,0,1,1,0,0|1,0,1]=4 889 B8R1.2 C1=CC=C(C=C1)C=O B110463 [0,0,1,1,0,0|1,0,1]=4 890 B8R1.2 C1=CC=C(C=C1)C=O B110464 [0,0,1,1,0,0|1,0,1]=4 891 B8R1.2 C1=CC=C(C=C1)C=O B266083 [0,0,1,1,0,0|1,0,1]=4 892 B8R1.2 C1=CC=C(C=C1)C=O B420281 [0,0,1,1,0,0|1,0,1]=4 893 B8R1.2 C1=CC=C(C=C1)C=O B472001 [0,0,1,1,0,0|1,0,1]=4 894 B8R1.2 C1=CC=NC(=C1)C=O P105912 [0,0,1,1,0,0|1,0,1]=4 895 B8R1.3 C1=CC(=CC=C1N)O A100496 [0,0,1,1,0,0|2,0,0]=4 896 B8R1.3 C1=CC(=CC=C1N)O A110564 [0,0,1,1,0,0|2,0,0]=4 897 B8R1.3 C1=CC(=CC=C1N)O A110566 [0,0,1,1,0,0|2,0,0]=4 898 B8R1.3 C1=CC(=CC=C1O)Br B100691 [0,0,1,1,0,0|2,0,0]=4 899 B8R1.3 C1=CC(=CC=C1O)Br B100692 [0,0,1,1,0,0|2,0,0]=4 900 B8R1.3 C1=CC(=CC=C1O)Cl C108253 [0,0,1,1,0,0|2,0,0]=4 901 B8R1.3 C1=CC(=CC=C1O)Cl C108254 [0,0,1,1,0,0|2,0,0]=4 902 B8R1.3 C1=CC(=CC=C1O)Cl C108255 [0,0,1,1,0,0|2,0,0]=4 903 B8R1.3 C1=CC(=CC=C1O)Cl C108256 [0,0,1,1,0,0|2,0,0]=4 904 B8R1.3 C1=CC(=CC=C1O)F F107127 [0,0,1,1,0,0|2,0,0]=4 905 B8R1.3 C1=CC(=CC=C1O)I I107037 [0,0,1,1,0,0|2,0,0]=4 906 B8R1.3 C1=CC(=CC=C1O)O H108945 [0,0,1,1,0,0|2,0,0]=4 907 B8R1.3 C1=CC(=CC=C1O)O H108946 [0,0,1,1,0,0|2,0,0]=4 908 B8R1.3 C1=CC(=CC=C1O)O H108947 [0,0,1,1,0,0|2,0,0]=4 909 B8R1.3 C1=CC(=CC=C1O)O H431621 [0,0,1,1,0,0|2,0,0]=4 910 B8R1.3 C1=CC(=CC=C1O)S M101786 [0,0,1,1,0,0|2,0,0]=4 911 B8R1.3 C1=CC(=NC=C1O)Br B102604 [0,0,1,1,0,0|2,0,0]=4 912 B8R1.3 C1=CC(=NC=C1O)Br B399634 [0,0,1,1,0,0|2,0,0]=4 913 B8R1.3 C1=CC(=NC=C1O)Cl C102603 [0,0,1,1,0,0|2,0,0]=4 914 B8R1.3 C1=CC(=NC=C1O)F F102601 [0,0,1,1,0,0|2,0,0]=4 915 B8R1.3 C1=CC(=NC=C1O)N A185200 [0,0,1,1,0,0|2,0,0]=4 916 B8R1.3 C1=CC(=O)C=CC1=O B108670 [0,0,1,1,0,0|2,0,0]=4 917 B8R1.3 C1=CC(=O)C=CC1=O B108671 [0,0,1,1,0,0|2,0,0]=4 918 B8R1.3 C1=CC(=O)C=CC1=O B108672 [0,0,1,1,0,0|2,0,0]=4 919 B8R1.3 C1=CC(=O)C=CC1=O Q104677 [0,0,1,1,0,0|2,0,0]=4 920 B8R1.3 CC1=CC=C(C=C1)Br B108900 [0,0,1,1,0,0|2,0,0]=4 921 B8R1.3 CC1=CC=C(C=C1)C X103333 [0,0,1,1,0,0|2,0,0]=4 922 B8R1.3 CC1=CC=C(C=C1)C X103334 [0,0,1,1,0,0|2,0,0]=4 923 B8R1.3 CC1=CC=C(C=C1)C X103336 [0,0,1,1,0,0|2,0,0]=4 924 B8R1.3 CC1=CC=C(C=C1)C X103338 [0,0,1,1,0,0|2,0,0]=4 925 B8R1.3 CC1=CC=C(C=C1)C X103339 [0,0,1,1,0,0|2,0,0]=4 926 B8R1.3 CC1=CC=C(C=C1)C X103342 [0,0,1,1,0,0|2,0,0]=4 927 B8R1.3 CC1=CC=C(C=C1)C X119715 [0,0,1,1,0,0|2,0,0]=4 928 B8R1.3 CC1=CC=C(C=C1)C X128149 [0,0,1,1,0,0|2,0,0]=4 929 B8R1.3 CC1=CC=C(C=C1)Cl C104628 [0,0,1,1,0,0|2,0,0]=4 930 B8R1.3 CC1=CC=C(C=C1)Cl C104629 [0,0,1,1,0,0|2,0,0]=4 931 B8R1.3 CC1=CC=C(C=C1)Cl C113011 [0,0,1,1,0,0|2,0,0]=4 932 B8R1.3 CC1=CC=C(C=C1)Cl C113012 [0,0,1,1,0,0|2,0,0]=4 933 B8R1.3 CC1=CC=C(C=C1)Cl C128161 [0,0,1,1,0,0|2,0,0]=4 934 B8R1.3 CC1=CC=C(C=C1)F F107110 [0,0,1,1,0,0|2,0,0]=4 935 B8R1.3 CC1=CC=C(C=C1)I I118363 [0,0,1,1,0,0|2,0,0]=4 936 B8R1.3 CC1=CC=C(C=C1)N T108450 [0,0,1,1,0,0|2,0,0]=4 937 B8R1.3 CC1=CC=C(C=C1)N T108451 [0,0,1,1,0,0|2,0,0]=4 938 B8R1.3 CC1=CC=C(C=C1)N T111232 [0,0,1,1,0,0|2,0,0]=4 939 B8R1.3 CC1=CC=C(C=C1)O C108248 [0,0,1,1,0,0|1,0,0]=3 940 B8R1.3 CC1=CC=C(C=C1)O C108249 [0,0,1,1,0,0|1,0,0]=3 941 B8R1.3 CC1=CC=C(C=C1)O C108250 [0,0,1,1,0,0|1,0,0]=3 942 B8R1.3 CC1=CC=C(C=C1)O C108251 [0,0,1,1,0,0|1,0,0]=3 943 B8R1.3 CC1=CC=C(C=C1)O C108252 [0,0,1,1,0,0|1,0,0]=3 944 B8R1.3 CC1=CC=C(C=C1)O C108640 [0,0,1,1,0,0|1,0,0]=3 945 B8R1.3 CC1=CC=C(C=C1)O C108641 [0,0,1,1,0,0|1,0,0]=3 946 B8R1.3 CC1=CC=C(C=C1)O C128202 [0,0,1,1,0,0|1,0,0]=3 947 B8R1.3 CC1=CC=C(C=C1)S T109389 [0,0,1,1,0,0|1,1,0]=4 948 B8R1.3 CC1=CN=C(C=C1)C L111803 [0,0,1,1,0,0|2,0,0]=4 949 B8R1.3 CC1=CNC(=O)C=C1 H107715 [0,0,1,1,0,0|2,0,0]=4 950 B8R1.3 CC1=CNC(=O)C=N1 M191984 [0,0,1,1,0,0|2,0,0]=4 951 B8R1.3 CC1=NC=C(C=C1)Br B123445 [0,0,1,1,0,0|2,0,0]=4 952 B8R1.3 CC1=NC=C(C=C1)Cl C186235 [0,0,1,1,0,0|2,0,0]=4 953 B8R1.3 CC1=NC=C(C=C1)F F489688 [0,0,1,1,0,0|2,0,0]=4 954 B8R1.3 CC1=NC=C(C=C1)N A103049 [0,0,1,1,0,0|2,0,0]=4 955 B8R1.3 CC1=NC=C(C=C1)O H156935 [0,0,1,1,0,0|1,0,0]=3 956 B8R1.3 CC1=NC=C(C=N1)O M588838 [0,0,1,1,0,0|2,0,0]=4 957 B8R1.3 CC1=NNC(=O)C=C1 M157846 [0,0,1,1,0,0|2,0,0]=4 958 B8R1.3 CC1=[C-]C=C(C=C1)F F579402 [0,0,1,1,0,0|2,0,0]=4 959 B8R1.5 C1=CC(=C(N=C1)Br)O B110249 [0,0,1,1,0,0|2,0,0]=4 960 B8R1.5 C1=CC(=C(N=C1)Cl)O C110320 [0,0,1,1,0,0|2,0,0]=4 961 B8R1.5 C1=CC(=C(N=C1)F)O F102619 [0,0,1,1,0,0|2,0,0]=4 962 B8R1.5 C1=CC(=C(N=C1)I)O I119977 [0,0,1,1,0,0|2,0,0]=4 963 B8R1.5 C1=CC(=C(N=C1)N)O A101241 [0,0,1,1,0,0|2,0,0]=4 964 B8R1.5 C1=CC(=C(N=C1)N)O A493500 [0,0,1,1,0,0|2,0,0]=4 965 B8R1.5 C1=CC(=O)N(C=C1)O P103097 [0,0,1,1,0,0|1,0,1]=4 966 B8R1.5 C1=CC=C(C(=C1)N)O A104087 [0,0,1,1,0,0|1,0,1]=4 967 B8R1.5 C1=CC=C(C(=C1)N)O A104088 [0,0,1,1,0,0|1,0,1]=4 968 B8R1.5 C1=CC=C(C(=C1)N)O A104089 [0,0,1,1,0,0|1,0,1]=4 969 B8R1.5 C1=CC=C(C(=C1)N)O A151616 [0,0,1,1,0,0|1,0,1]=4 970 B8R1.5 C1=CC=C(C(=C1)O)Br B109688 [0,0,1,1,0,0|1,0,1]=4 971 B8R1.5 C1=CC=C(C(=C1)O)Br B109689 [0,0,1,1,0,0|1,0,1]=4 972 B8R1.5 C1=CC=C(C(=C1)O)Cl C110430 [0,0,1,1,0,0|1,0,1]=4 973 B8R1.5 C1=CC=C(C(=C1)O)Cl C110432 [0,0,1,1,0,0|1,0,1]=4 974 B8R1.5 C1=CC=C(C(=C1)O)Cl C110433 [0,0,1,1,0,0|1,0,1]=4 975 B8R1.5 C1=CC=C(C(=C1)O)Cl C110434 [0,0,1,1,0,0|1,0,1]=4 976 B8R1.5 C1=CC=C(C(=C1)O)Cl C110435 [0,0,1,1,0,0|1,0,1]=4 977 B8R1.5 C1=CC=C(C(=C1)O)F F123546 [0,0,1,1,0,0|1,0,1]=4 978 B8R1.5 C1=CC=C(C(=C1)O)F F123547 [0,0,1,1,0,0|1,0,1]=4 979 B8R1.5 C1=CC=C(C(=C1)O)I I107036 [0,0,1,1,0,0|1,0,1]=4 980 B8R1.5 C1=CC=C(C(=C1)O)O C110637 [0,0,1,1,0,0|0,0,2]=4 981 B8R1.5 C1=CC=C(C(=C1)O)O C110639 [0,0,1,1,0,0|0,0,2]=4 982 B8R1.5 C1=CC=C(C(=C1)O)O P431588 [0,0,1,1,0,0|0,0,2]=4 983 B8R1.5 C1=CC=C(C(=C1)O)S M101784 [0,0,1,1,0,0|0,1,1]=4 984 B8R1.5 C1=CNC(=O)C(=C1)Br B102610 [0,0,1,1,0,0|2,0,0]=4 985 B8R1.5 C1=CNC(=O)C(=C1)Cl C102609 [0,0,1,1,0,0|2,0,0]=4 986 B8R1.5 C1=CNC(=O)C(=C1)F F102607 [0,0,1,1,0,0|2,0,0]=4 987 B8R1.5 C1=CNC(=O)C(=C1)I I586377 [0,0,1,1,0,0|2,0,0]=4 988 B8R1.5 C1=CNC(=O)C(=C1)N A151666 [0,0,1,1,0,0|2,0,0]=4 989 B8R1.5 C1=CNC(=O)C(=C1)O D119960 [0,0,1,1,0,0|1,0,0]=3 990 B8R1.5 C1=COC(=O)C(=C1)O H193578 [0,0,1,1,0,0|1,0,0]=3 991 B8R1.5 CC1=C(C=CC=N1)O H122390 [0,0,1,1,0,0|2,0,0]=4 992 B8R1.5 CC1=CC=CC=C1O C108231 [0,0,1,1,0,0|1,0,1]=4 993 B8R1.5 CC1=CC=CC=C1O C108233 [0,0,1,1,0,0|1,0,1]=4 994 B8R1.5 CC1=CC=CC=C1O C108234 [0,0,1,1,0,0|1,0,1]=4 995 B8R1.5 CC1=CC=CC=C1O C108235 [0,0,1,1,0,0|1,0,1]=4 996 B8R1.5 CC1=CC=CC=C1O C108236 [0,0,1,1,0,0|1,0,1]=4 997 B8R1.5 CC1=CC=CNC1=O H124768 [0,0,1,1,0,0|2,0,0]=4 998 B8R1.5 Oc1ccccc1O C117392 [0,0,1,1,0,0|0,0,2]=4 999 B6R1.5 CC1CC(=O)O1 B152852 [1,0,0,0,1,0|0,0,2]=4