0 B8R1.7 C=C(C)C1=CC=CO1 SY225341 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.7 C=C(C)C1=CC=CS1 SY225340 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.7 CC(=O)C1=CC=CN1 SY011279 [0,0,0,0,0,0|0,0,0]=0 3 B8R1.7 CC(=O)C1=CN=CN1 SY042637 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.7 CC(=O)C1=COC=N1 SY310747 [0,0,0,0,0,0|1,0,1]=2 5 B8R1.7 CC(=O)C1=CSC=C1 SY009376 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.7 CC(=O)C1=CSC=N1 SY043032 [0,0,0,0,0,0|1,0,1]=2 7 B8R1.7 CC(=O)C1=NC=CO1 SY148104 [0,0,0,0,0,0|1,0,1]=2 8 B8R1.7 CC(=O)C1=NC=CS1 SY004958 [0,0,0,0,0,0|1,0,1]=2 9 B8R1.7 CC(=O)C1=NNC=C1 SY123629 [0,0,0,0,0,0|1,0,1]=2 10 B8R1.7 CC(=O)C1=NOC=N1 SY291911 [0,0,0,0,0,0|2,0,1]=3 11 B8R1.7 CC(C)C1=CNC=N1 SY037472 [0,0,0,0,0,0|2,0,2]=4 12 B8R1.7 CC(C)C1=NNC=C1 SY025107 [0,0,0,0,0,0|2,0,2]=4 13 B8R1.7 CC(C)N1C=CC=C1 SY300558 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.7 CC(C)N1C=CC=N1 SY024130 [0,0,0,0,0,0|2,0,2]=4 15 B8R1.7 CC(N)C1=NC=CS1 SY006409 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.7 CC(N)C1=NC=CS1 SY020075 [0,0,0,0,0,0|2,0,2]=4 17 B8R1.7 C[C@@H](N)C1=CC=CS1 SY193850 [0,0,0,0,0,0|2,0,1]=3 18 B8R1.7 C[C@@H](N)C1=CNC=N1 SY307692 [0,0,0,0,0,0|2,0,2]=4 19 B8R1.7 C[C@H](N)C1=CNC=N1 SY307691 [0,0,0,0,0,0|2,0,2]=4 20 B8R1.7 FC(F)C1=CC=CS1 SY265629 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.7 N=C(N)C1=NC=CS1 SY013207 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.7 N=C(N)N1C=CC=N1 SY004651 [0,0,0,0,0,0|3,0,1]=4 23 B8R1.7 NC(=O)C1=CNN=C1 SY031430 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.7 NC(=O)C1=COC=N1 SY026763 [0,0,0,0,0,0|2,0,1]=3 25 B8R1.7 NC(=O)C1=NNC=C1 SY033000 [0,0,0,0,0,0|2,0,1]=3 26 B8R1.7 O=C(O)C1=CC=CN1 SY014890 [0,0,0,0,0,0|1,0,0]=1 27 B8R1.7 O=C(O)C1=CC=CS1 SY001476 [0,0,0,0,0,0|2,0,0]=2 28 B8R1.7 O=C(O)C1=CC=NO1 SY018290 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.7 O=C(O)C1=CC=NS1 SY029089 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.7 O=C(O)C1=CCCC1 SY027520 [0,0,0,0,0,0|2,0,2]=4 31 B8R1.7 O=C(O)C1=CN=CO1 SY026644 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.7 O=C(O)C1=CN=CS1 SY006027 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.7 O=C(O)C1=CN=NN1 SY023455 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.7 O=C(O)C1=CNC=C1 SY004601 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.7 O=C(O)C1=CNC=N1 SY001178 [0,0,0,0,0,0|2,0,1]=3 36 B8R1.7 O=C(O)C1=CNN=C1 SY018302 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.7 O=C(O)C1=COC=C1 SY003999 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.7 O=C(O)C1=COC=N1 SY003724 [0,0,0,0,0,0|2,0,1]=3 39 B8R1.7 O=C(O)C1=COCC1 SY027844 [0,0,0,0,0,0|3,0,1]=4 40 B8R1.7 O=C(O)C1=CON=C1 SY029017 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.7 O=C(O)C1=CSC=C1 SY001582 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.7 O=C(O)C1=CSC=N1 SY015498 [0,0,0,0,0,0|2,0,1]=3 43 B8R1.7 O=C(O)C1=CSN=C1 SY022883 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.7 O=C(O)C1=CSN=N1 SY007300 [0,0,0,0,0,0|3,0,1]=4 45 B8R1.7 O=C(O)C1=NC=CN1 SY007870 [0,0,0,0,0,0|2,0,0]=2 46 B8R1.7 O=C(O)C1=NC=NS1 SY129587 [0,0,0,0,0,0|3,0,1]=4 47 B8R1.7 O=C(O)C1=NNC=C1 SY002921 [0,0,0,0,0,0|2,0,1]=3 48 B8R1.7 O=C(O)C1=NNC=N1 SY018482 [0,0,0,0,0,0|3,0,1]=4 49 B8R1.7 O=C(O)C1=NOC=C1 SY031545 [0,0,0,0,0,0|2,0,1]=3 50 B8R1.7 O=C(O)C1=NOC=N1 SY026689 [0,0,0,0,0,0|3,0,1]=4 51 B8R1.7 O=C(O)C1=NSC=C1 SY059468 [0,0,0,0,0,0|2,0,1]=3 52 B8R1.7 O=C(O)C1=NSN=C1 SY123045 [0,0,0,0,0,0|3,0,1]=4 53 B8R1.7 O=C(O)C1C=CCN1 SY251245 [0,0,0,0,0,0|1,0,2]=3 54 B8R1.7 O=C(O)C1CC=CC1 SY003813 [0,0,0,0,0,0|2,0,2]=4 55 B8R1.7 O=C(O)[C@@H]1C=CCN1 SY022074 [0,0,0,0,0,0|1,0,2]=3 56 B8R1.7 O=C(O)[C@H]1C=CCN1 SY251243 [0,0,0,0,0,0|1,0,2]=3 57 B8R1.7 O=[N+]([O-])C1=CNC=C1 SY004596 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.7 O=[N+]([O-])C1=CNC=N1 SY001473 [0,0,0,0,0,0|3,0,1]=4 59 B8R1.7 O=[N+]([O-])C1=NC=CN1 SY019543 [0,0,0,0,0,0|3,0,0]=3 60 B8R1.7 O=[N+]([O-])C1=NNC=C1 SY009101 [0,0,0,0,0,0|3,0,1]=4 61 B8R1.7 O=[N+]([O-])N1C=CC=N1 SY032676 [0,0,0,0,0,0|3,0,1]=4 62 B8R1.7 OB(O)C1=CC=CO1 SY013494 [0,0,0,0,0,0|3,0,1]=4 63 B8R1.7 OB(O)C1=CC=CS1 SY002974 [0,0,0,0,0,0|3,0,1]=4 64 B7R1.1 BrCC1=NC=CN1 SY024828 [1,0,0,0,0,0|2,0,1]=4 65 B7R1.1 C#CC1=CC=CN1 SY281703 [1,0,0,0,0,0|0,0,2]=3 66 B7R1.1 C#CC1=CC=CO1 SY253025 [1,0,0,0,0,0|1,0,2]=4 67 B7R1.1 C#CC1=CC=CS1 SY021631 [1,0,0,0,0,0|1,0,2]=4 68 B7R1.1 C=CC1=CC=CS1 SY024253 [1,0,0,0,0,0|1,0,1]=3 69 B7R1.1 CCC1=CC=CS1 SY048489 [1,0,0,0,0,0|1,0,1]=3 70 B7R1.1 CCC1=CNC=N1 SY055411 [1,0,0,0,0,0|1,0,2]=4 71 B7R1.1 CCC1=CSC=C1 SY036406 [1,0,0,0,0,0|2,0,1]=4 72 B7R1.1 CCN1C=CC=N1 SY014479 [1,0,0,0,0,0|1,0,2]=4 73 B7R1.1 CNC1=NC=CS1 SY104581 [1,0,0,0,0,0|2,0,1]=4 74 B7R1.1 COC1=NNC=C1 SY147600 [1,0,0,0,0,0|2,0,1]=4 75 B7R1.1 CSC1=NC=CN1 SY025774 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.1 N#CC1=CC=CN1 SY012801 [1,0,0,0,0,0|1,0,1]=3 77 B7R1.1 N#CC1=CC=CO1 SY048410 [1,0,0,0,0,0|2,0,1]=4 78 B7R1.1 NCC1=CC=CN1 SY032090 [1,0,0,0,0,0|1,0,1]=3 79 B7R1.1 NCC1=NC=CN1 SY025359 [1,0,0,0,0,0|2,0,1]=4 80 B7R1.1 O=CC1=CC=CN1 SY001497 [1,0,0,0,0,0|0,0,0]=1 81 B7R1.1 O=CC1=CN=CO1 SY025934 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.1 O=CC1=CN=CS1 SY005766 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.1 O=CC1=CNC=C1 SY010726 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.1 O=CC1=CNC=N1 SY003074 [1,0,0,0,0,0|1,0,1]=3 85 B7R1.1 O=CC1=CNN=C1 SY013236 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.1 O=CC1=COC=C1 SY013826 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.1 O=CC1=COC=N1 SY051228 [1,0,0,0,0,0|1,0,1]=3 88 B7R1.1 O=CC1=CSC=N1 SY019858 [1,0,0,0,0,0|1,0,1]=3 89 B7R1.1 O=CC1=NC=CN1 SY014217 [1,0,0,0,0,0|1,0,0]=2 90 B7R1.1 O=CC1=NC=CS1 SY005879 [1,0,0,0,0,0|1,0,1]=3 91 B7R1.1 OCC1=CC=CS1 SY036796 [1,0,0,0,0,0|1,0,2]=4 92 B7R1.1 OCC1=NC=CN1 SY041704 [1,0,0,0,0,0|1,0,2]=4 93 B9R1.11 CCC(=O)C1=CC=CS1 SY031388 [0,1,0,0,0,0|1,0,0]=2 94 B9R1.11 CNC(=O)C1=CNN=C1 SY025808 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.11 CNC(=O)N1C=CN=C1 SY027183 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.11 COC(=O)C1=CC=CN1 SY001201 [0,1,0,0,0,0|0,0,0]=1 97 B9R1.11 COC(=O)C1=CC=CS1 SY048432 [0,1,0,0,0,0|1,0,0]=2 98 B9R1.11 COC(=O)C1=CC=NO1 SY078826 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.11 COC(=O)C1=CCCC1 SY017441 [0,1,0,0,0,0|1,0,2]=4 100 B9R1.11 COC(=O)C1=CNC=C1 SY005883 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.11 COC(=O)C1=CNC=N1 SY019856 [0,1,0,0,0,0|1,0,1]=3 102 B9R1.11 COC(=O)C1=CNN=C1 SY011914 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.11 COC(=O)C1=CNN=N1 SY008373 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.11 COC(=O)C1=CSC=C1 SY019965 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.11 COC(=O)C1=CSC=N1 SY007519 [0,1,0,0,0,0|1,0,1]=3 106 B9R1.11 COC(=O)C1=NC=CN1 SY026818 [0,1,0,0,0,0|1,0,0]=2 107 B9R1.11 COC(=O)C1=NC=CS1 SY013211 [0,1,0,0,0,0|1,0,1]=3 108 B9R1.11 COC(=O)C1=NNC=C1 SY013591 [0,1,0,0,0,0|1,0,1]=3 109 B9R1.11 COC(=O)C1=NNC=N1 SY015262 [0,1,0,0,0,0|2,0,1]=4 110 B9R1.11 NCC(=O)C1=CSC=C1 SY269123 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.11 NNC(=O)C1=CC=CO1 SY048471 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.11 NNC(=O)C1=CC=CS1 SY048333 [0,1,0,0,0,0|2,0,0]=3 113 B9R1.11 O=C(CBr)C1=CC=CO1 SY040209 [0,1,0,0,0,0|1,0,0]=2 114 B9R1.11 O=C(CBr)C1=NC=CS1 SY029755 [0,1,0,0,0,0|1,0,1]=3 115 B9R1.11 O=C(CO)C1=CC=CO1 SY131034 [0,1,0,0,0,0|1,0,0]=2 116 B9R1.11 O=C(CO)C1=CC=CS1 SY131036 [0,1,0,0,0,0|1,0,0]=2 117 B9R1.19 CC(C)(C)C1=CC=CS1 SY014132 [0,1,0,0,0,0|2,0,1]=4 118 B9R1.19 CC(C)(C)C1=NC=CN1 SY014880 [0,1,0,0,0,0|2,0,1]=4 119 B9R1.19 CC(C)(O)C1=CC=CS1 SY206347 [0,1,0,0,0,0|1,0,2]=4 120 B9R1.19 CS(=O)(=O)C1=CNC=C1 SY251276 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.19 CS(=O)(=O)C1=NC=CN1 SY034187 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.19 CS(=O)(=O)C1=NNC=C1 SY289486 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.19 NS(=O)(=O)C1=CC=CS1 SY007545 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.35 CC(=O)C1=CC(Br)=CS1 SY031823 [0,1,0,0,0,0|1,0,0]=2 125 B9R1.35 CC(=O)C1=CC(Cl)=CS1 SY101316 [0,1,0,0,0,0|1,0,0]=2 126 B9R1.35 CC(=O)C1=CC=C(Br)S1 SY017856 [0,1,0,0,0,0|1,0,0]=2 127 B9R1.35 CC(=O)C1=CC=C(C)O1 SY013987 [0,1,0,0,0,0|1,0,0]=2 128 B9R1.35 CC(=O)C1=CC=C(C)S1 SY016983 [0,1,0,0,0,0|1,0,0]=2 129 B9R1.35 CC(=O)C1=CN(C)N=C1 SY064140 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.35 CC(=O)C1=CNC(Br)=C1 SY263216 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.35 CC(=O)C1=NN(C)C=C1 SY045892 [0,1,0,0,0,0|1,0,1]=3 132 B9R1.35 CC(=O)C1=NN(C)C=N1 SY291912 [0,1,0,0,0,0|2,0,1]=4 133 B9R1.35 CC(C)C1=CC(N)=NN1 SY268379 [0,1,0,0,0,0|2,0,1]=4 134 B9R1.35 CC(N)C1=CC=C(Cl)S1 SY011757 [0,1,0,0,0,0|2,0,1]=4 135 B9R1.35 CC1=CC(C(=O)O)=CS1 SY014238 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.35 CC1=CC(C(=O)O)=NO1 SY010127 [0,1,0,0,0,0|2,0,1]=4 137 B9R1.35 CC1=CC=C(C(=O)O)O1 SY033736 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.35 CC1=CC=C(C(=O)O)S1 SY001770 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.35 CC1=CN=C(C(=O)O)S1 SY023408 [0,1,0,0,0,0|2,0,1]=4 140 B9R1.35 CC1=COC(C(=O)O)=N1 SY273851 [0,1,0,0,0,0|2,0,1]=4 141 B9R1.35 CC1=CSC(C(=O)O)=C1 SY012042 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.35 CC1=CSC(C(=O)O)=N1 SY015483 [0,1,0,0,0,0|2,0,1]=4 143 B9R1.35 CC1=NC(C(=O)O)=CN1 SY015260 [0,1,0,0,0,0|2,0,1]=4 144 B9R1.35 CC1=NC(C(=O)O)=CO1 SY015418 [0,1,0,0,0,0|2,0,1]=4 145 B9R1.35 CC1=NC(C(=O)O)=CS1 SY005875 [0,1,0,0,0,0|2,0,1]=4 146 B9R1.35 CC1=NC(C(N)=O)=CS1 SY096630 [0,1,0,0,0,0|2,0,1]=4 147 B9R1.35 CC1=NC=C(C(=O)O)O1 SY034537 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.35 CC1=NC=C(C(=O)O)S1 SY019257 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.35 CC1=NNC(C(=O)O)=C1 SY007408 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.35 CC1=NOC(C(=O)O)=C1 SY033484 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.35 CN1C=CC(C(=O)O)=C1 SY023300 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.35 CN1C=CC(C(=O)O)=N1 SY005921 [0,1,0,0,0,0|2,0,1]=4 153 B9R1.35 CN1C=NC(C(=O)O)=C1 SY003723 [0,1,0,0,0,0|2,0,1]=4 154 B9R1.35 C[C@@H](N)C1=CC(Br)=CS1 SY272406 [0,1,0,0,0,0|2,0,1]=4 155 B9R1.35 NC(=O)C1=NNC(N)=C1 SY018555 [0,1,0,0,0,0|2,0,1]=4 156 B9R1.35 NC1=CN=C(C(=O)[O-])S1 SY309695 [0,1,0,0,0,0|2,0,1]=4 157 B9R1.35 NC1=CSC(C(=O)O)=C1 SY026146 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.35 NC1=NC(C(=O)O)=CN1 SY027829 [0,1,0,0,0,0|2,0,1]=4 159 B9R1.35 NC1=NC=C(C(=O)O)S1 SY003801 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.35 O=C(O)C1=CC(Br)=CN1 SY110044 [0,1,0,0,0,0|1,0,0]=2 161 B9R1.35 O=C(O)C1=CC(Br)=CS1 SY002033 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.35 O=C(O)C1=CC(Br)=NO1 SY018531 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.35 O=C(O)C1=CC(Cl)=CS1 SY046793 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.35 O=C(O)C1=CC=C(Br)O1 SY023401 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.35 O=C(O)C1=CC=C(Br)S1 SY003028 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.35 O=C(O)C1=CC=C(Cl)O1 SY104264 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.35 O=C(O)C1=CC=C(Cl)S1 SY001039 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.35 O=C(O)C1=CC=C(F)S1 SY042026 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.35 O=C(O)C1=CN=C(Br)N1 SY035164 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.35 O=C(O)C1=CN=C(Br)S1 SY006695 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.35 O=C(O)C1=CN=C(Cl)S1 SY019267 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.35 O=C(O)C1=CNC(Cl)=N1 SY264613 [0,1,0,0,0,0|2,0,1]=4 173 B9R1.35 O=C(O)C1=COC(Br)=C1 SY021737 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.35 O=C(O)C1=COC(Cl)=N1 SY027681 [0,1,0,0,0,0|2,0,1]=4 175 B9R1.35 O=C(O)C1=CSC(Br)=C1 SY022842 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.35 O=C(O)C1=CSC(Br)=N1 SY004497 [0,1,0,0,0,0|2,0,1]=4 177 B9R1.35 O=C(O)C1=CSC(Cl)=C1 SY019665 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.35 O=C(O)C1=CSC(Cl)=N1 SY065475 [0,1,0,0,0,0|2,0,1]=4 179 B9R1.35 O=C(O)C1=CSC(I)=N1 SY205366 [0,1,0,0,0,0|2,0,1]=4 180 B9R1.35 O=C(O)C1=NC(Br)=CS1 SY033628 [0,1,0,0,0,0|2,0,1]=4 181 B9R1.35 O=C(O)C1=NC=C(Br)S1 SY006142 [0,1,0,0,0,0|2,0,1]=4 182 B9R1.35 O=C(O)C1=NNC(Br)=C1 SY036625 [0,1,0,0,0,0|2,0,1]=4 183 B9R1.35 O=C(O)C1=NNC(Cl)=C1 SY029998 [0,1,0,0,0,0|2,0,1]=4 184 B9R1.35 O=C1NC=C(C(=O)O)N1 SY018249 [0,1,0,0,0,0|2,0,0]=3 185 B9R1.35 O=[N+]([O-])C1=CC(Br)=NN1 SY275160 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.35 O=[N+]([O-])C1=CC(Cl)=NN1 SY251772 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.35 O=[N+]([O-])C1=CC=C(Br)O1 SY047887 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.35 O=[N+]([O-])C1=CC=C(Br)S1 SY003503 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.35 O=[N+]([O-])C1=CC=C(Br)S1 SY286147 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.41 CC(=O)C1=C(Br)C=CS1 SY062236 [0,1,0,0,0,0|1,0,0]=2 191 B9R1.41 CC(=O)C1=C(N)SC=C1 SY198401 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.41 CC(=O)C1=CC=CN1C SY005755 [0,1,0,0,0,0|0,0,0]=1 193 B9R1.41 CC(=O)C1=CC=NN1C SY005764 [0,1,0,0,0,0|1,0,0]=2 194 B9R1.41 CC(C)C1=C(Br)C=NN1 SY024900 [0,1,0,0,0,0|2,0,1]=4 195 B9R1.41 CC(C)C1=CN=CN1C SY265032 [0,1,0,0,0,0|2,0,1]=4 196 B9R1.41 CC1=C(C(=O)O)C=CS1 SY023486 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.41 CC1=C(C(=O)O)N=CN1 SY022377 [0,1,0,0,0,0|2,0,1]=4 198 B9R1.41 CC1=C(C(=O)O)N=CO1 SY015419 [0,1,0,0,0,0|2,0,1]=4 199 B9R1.41 CC1=C(C(=O)O)NC=C1 SY007678 [0,1,0,0,0,0|1,0,0]=2 200 B9R1.41 CC1=C(C(=O)O)OC=C1 SY027534 [0,1,0,0,0,0|2,0,0]=3 201 B9R1.41 CC1=C(C(=O)O)OC=N1 SY020521 [0,1,0,0,0,0|3,0,0]=4 202 B9R1.41 CC1=C(C(=O)O)ON=C1 SY025616 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.41 CC1=C(C(=O)O)SC=C1 SY001797 [0,1,0,0,0,0|2,0,0]=3 204 B9R1.41 CC1=C(C(=O)O)SC=N1 SY005876 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.41 CC1=CNN=C1C(=O)O SY008321 [0,1,0,0,0,0|2,0,1]=4 206 B9R1.41 CC1=CON=C1C(=O)O SY102755 [0,1,0,0,0,0|2,0,1]=4 207 B9R1.41 CC1=CSC=C1C(=O)O SY097125 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.41 CN1C=CC=C1C(=O)O SY021564 [0,1,0,0,0,0|1,0,0]=2 209 B9R1.41 CN1C=CN=C1C(=O)O SY003797 [0,1,0,0,0,0|2,0,0]=3 210 B9R1.41 CN1C=NC=C1C(=O)O SY003725 [0,1,0,0,0,0|2,0,0]=3 211 B9R1.41 CN1C=NC=C1C(N)=O SY192618 [0,1,0,0,0,0|2,0,0]=3 212 B9R1.41 CN1C=NC=C1[N+](=O)[O-] SY017081 [0,1,0,0,0,0|3,0,0]=4 213 B9R1.41 CN1N=CC=C1C(=O)O SY005770 [0,1,0,0,0,0|2,0,0]=3 214 B9R1.41 NC(=O)C1=C(Br)C=CS1 SY023659 [0,1,0,0,0,0|2,0,0]=3 215 B9R1.41 NC(=O)C1=C(N)C=CO1 SY046339 [0,1,0,0,0,0|2,0,0]=3 216 B9R1.41 NC(=O)C1=C(N)C=CO1 SY296076 [0,1,0,0,0,0|2,0,0]=3 217 B9R1.41 NC(=O)C1=C(N)NC=N1 SY009547 [0,1,0,0,0,0|2,0,1]=4 218 B9R1.41 NC(=O)C1=C(N)NC=N1 SY018912 [0,1,0,0,0,0|2,0,1]=4 219 B9R1.41 NC(=O)C1=C(N)SC=C1 SY015489 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.41 NC(=O)C1=C(N)SC=N1 SY009597 [0,1,0,0,0,0|2,0,1]=4 221 B9R1.41 NC(=O)C1=CC=CN1N SY007857 [0,1,0,0,0,0|1,0,0]=2 222 B9R1.41 NC1=C(C(=O)O)SC=C1 SY006053 [0,1,0,0,0,0|2,0,0]=3 223 B9R1.41 NC1=CNN=C1C(=O)O SY002456 [0,1,0,0,0,0|2,0,1]=4 224 B9R1.41 O=C(O)C1=C(Br)C=CO1 SY042666 [0,1,0,0,0,0|2,0,0]=3 225 B9R1.41 O=C(O)C1=C(Br)C=CS1 SY017647 [0,1,0,0,0,0|2,0,0]=3 226 B9R1.41 O=C(O)C1=C(Br)SC=C1 SY016339 [0,1,0,0,0,0|3,0,0]=4 227 B9R1.41 O=C(O)C1=C(Br)SC=N1 SY006172 [0,1,0,0,0,0|2,0,1]=4 228 B9R1.41 O=C(O)C1=C(Cl)C=CS1 SY007125 [0,1,0,0,0,0|2,0,0]=3 229 B9R1.41 O=C(O)C1=C(Cl)SC=C1 SY021357 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.41 O=C(O)C1=C(F)C=CS1 SY019425 [0,1,0,0,0,0|2,0,0]=3 231 B9R1.41 O=C(O)C1=CSC=C1Br SY023658 [0,1,0,0,0,0|3,0,0]=4 232 B9R1.41 O=C(O)C1=NNC=C1Br SY002455 [0,1,0,0,0,0|2,0,1]=4 233 B9R1.41 O=C(O)C1=NNC=C1Cl SY014072 [0,1,0,0,0,0|2,0,1]=4 234 B9R1.41 O=C(O)C1=NNC=C1F SY197291 [0,1,0,0,0,0|2,0,1]=4 235 B9R1.41 O=C(O)C1=NNC=C1I SY062855 [0,1,0,0,0,0|2,0,1]=4 236 B9R1.41 O=[N+]([O-])C1=C(Br)C=CS1 SY043196 [0,1,0,0,0,0|3,0,0]=4 237 B9R1.41 O=[N+]([O-])C1=C(Br)N=CN1 SY016356 [0,1,0,0,0,0|3,0,0]=4 238 B7R0.5 C=CCC(N)C(=O)O SY052428 [0,0,1,0,0,0|1,0,2]=4 239 B7R0.5 C=CC[C@@H](N)C(=O)O SY064478 [0,0,1,0,0,0|1,0,2]=4 240 B7R0.5 C=CC[C@H](N)C(=O)O SY008709 [0,0,1,0,0,0|1,0,2]=4 241 B9R2.2 C1=CNC(C2CC2)=N1 SY014881 [0,0,0,1,0,0|2,0,1]=4 242 B9R2.2 C1=NC=C(C2CC2)N1 SY059794 [0,0,0,1,0,0|2,0,1]=4 243 B9R2.2 C1=NNC(C2CC2)=C1 SY004983 [0,0,0,1,0,0|2,0,1]=4 244 B9R2.7 O=C1CC2C=CCC12 SY056869 [0,0,0,1,0,0|1,0,2]=4 245 B9R1.6 C=C(Br)C1=CC=CC=C1 SY011143 [0,0,0,0,0,1|2,0,1]=4 246 B9R1.6 C=C(C)C1=NC=CC=C1 SY225338 [0,0,0,0,0,1|1,0,1]=3 247 B9R1.6 CC(=O)C1=CC=NC=C1 SY005519 [0,0,0,0,0,1|1,0,0]=2 248 B9R1.6 CC(=O)C1=CN=CC=N1 SY004986 [0,0,0,0,0,1|0,0,1]=2 249 B9R1.6 CC(=O)C1=CN=CN=C1 SY005489 [0,0,0,0,0,1|1,0,1]=3 250 B9R1.6 CC(=O)C1=NC=CC=N1 SY004966 [0,0,0,0,0,1|0,0,1]=2 251 B9R1.6 CC(C)C1=CC=CCC1 SY292102 [0,0,0,0,0,1|2,0,1]=4 252 B9R1.6 CC(N)C1=CC=CN=C1 SY005518 [0,0,0,0,0,1|1,0,2]=4 253 B9R1.6 CC(N)C1=CC=NC=C1 SY005514 [0,0,0,0,0,1|2,0,1]=4 254 B9R1.6 CC(N)C1=NC=CC=C1 SY005425 [0,0,0,0,0,1|1,0,2]=4 255 B9R1.6 CC(N)C1=NC=CC=C1 SY023696 [0,0,0,0,0,1|1,0,2]=4 256 B9R1.6 CC(N)C1=NC=CC=N1 SY270479 [0,0,0,0,0,1|1,0,2]=4 257 B9R1.6 CC(N)C1=NC=CN=C1 SY107192 [0,0,0,0,0,1|1,0,2]=4 258 B9R1.6 CC(O)C1=CC=CN=C1 SY006085 [0,0,0,0,0,1|0,0,3]=4 259 B9R1.6 CC(O)C1=CC=NC=C1 SY006084 [0,0,0,0,0,1|1,0,2]=4 260 B9R1.6 CC(O)C1=NC=CC=C1 SY004070 [0,0,0,0,0,1|0,0,3]=4 261 B9R1.6 C[C@@H](N)C1=CC=CN=C1 SY105422 [0,0,0,0,0,1|1,0,2]=4 262 B9R1.6 C[C@@H](N)C1=CC=NC=C1 SY011547 [0,0,0,0,0,1|2,0,1]=4 263 B9R1.6 C[C@@H](N)C1=CC=NC=C1 SY253760 [0,0,0,0,0,1|2,0,1]=4 264 B9R1.6 C[C@@H](N)C1=NC=CC=C1 SY016895 [0,0,0,0,0,1|1,0,2]=4 265 B9R1.6 C[C@@H](N)C1=NC=CC=N1 SY310791 [0,0,0,0,0,1|1,0,2]=4 266 B9R1.6 C[C@@H](O)C1=CC=CC=C1 SY007833 [0,0,0,0,0,1|1,0,2]=4 267 B9R1.6 C[C@@H](O)C1=CN=CC=C1 SY008212 [0,0,0,0,0,1|0,0,3]=4 268 B9R1.6 C[C@@H](O)C1=NC=CC=C1 SY009224 [0,0,0,0,0,1|0,0,3]=4 269 B9R1.6 C[C@H](N)C1=CC=CN=C1 SY033903 [0,0,0,0,0,1|1,0,2]=4 270 B9R1.6 C[C@H](N)C1=CC=NC=C1 SY011546 [0,0,0,0,0,1|2,0,1]=4 271 B9R1.6 C[C@H](N)C1=NC=CC=C1 SY010698 [0,0,0,0,0,1|1,0,2]=4 272 B9R1.6 C[C@H](O)C1=CN=CC=C1 SY008211 [0,0,0,0,0,1|0,0,3]=4 273 B9R1.6 N=C(N)C1=CC=CC=C1 SY018319 [0,0,0,0,0,1|3,0,0]=4 274 B9R1.6 N=C(N)C1=CC=CC=C1 SY035738 [0,0,0,0,0,1|3,0,0]=4 275 B9R1.6 N=C(N)C1=CC=NC=C1 SY018012 [0,0,0,0,0,1|3,0,0]=4 276 B9R1.6 N=C(N)C1=CN=CC=C1 SY007646 [0,0,0,0,0,1|2,0,1]=4 277 B9R1.6 N=C(N)C1=NC=CC=C1 SY018011 [0,0,0,0,0,1|2,0,1]=4 278 B9R1.6 N=C(N)C1=NC=CC=N1 SY101920 [0,0,0,0,0,1|2,0,1]=4 279 B9R1.6 NC(=O)C1=CC=CC=C1 SY047098 [0,0,0,0,0,1|2,0,0]=3 280 B9R1.6 NC(=O)C1=CC=NC=C1 SY018471 [0,0,0,0,0,1|2,0,0]=3 281 B9R1.6 NC(=O)C1=CN=CC=C1 SY024804 [0,0,0,0,0,1|1,0,1]=3 282 B9R1.6 NC(=O)C1=NC=CC=C1 SY048638 [0,0,0,0,0,1|1,0,1]=3 283 B9R1.6 NC(=O)C1=NC=CN=C1 SY013550 [0,0,0,0,0,1|1,0,1]=3 284 B9R1.6 NC(=O)C1=NN=CC=C1 SY244413 [0,0,0,0,0,1|1,0,1]=3 285 B9R1.6 NC(=S)C1=CC=CN=C1 SY026920 [0,0,0,0,0,1|1,1,1]=4 286 B9R1.6 NC(=S)C1=CC=NC=C1 SY026921 [0,0,0,0,0,1|2,1,0]=4 287 B9R1.6 NC(=S)C1=NC=CC=C1 SY032222 [0,0,0,0,0,1|1,1,1]=4 288 B9R1.6 O=C(O)C1=CC=CC=C1 SY009192 [0,0,0,0,0,1|2,0,0]=3 289 B9R1.6 O=C(O)C1=CC=CN=N1 SY013220 [0,0,0,0,0,1|1,0,1]=3 290 B9R1.6 O=C(O)C1=CC=NC=C1 SY002246 [0,0,0,0,0,1|2,0,0]=3 291 B9R1.6 O=C(O)C1=CC=NN=C1 SY004681 [0,0,0,0,0,1|2,0,1]=4 292 B9R1.6 O=C(O)C1=CN=CC=C1 SY011111 [0,0,0,0,0,1|1,0,1]=3 293 B9R1.6 O=C(O)C1=CN=CN=C1 SY004100 [0,0,0,0,0,1|2,0,1]=4 294 B9R1.6 O=C(O)C1=NC=CC=C1 SY001169 [0,0,0,0,0,1|1,0,1]=3 295 B9R1.6 O=C(O)C1=NC=CC=N1 SY004101 [0,0,0,0,0,1|1,0,1]=3 296 B9R1.6 O=C(O)C1=NC=CN=C1 SY001166 [0,0,0,0,0,1|1,0,1]=3 297 B9R1.6 O=C(O)C1=NC=NC=C1 SY005548 [0,0,0,0,0,1|1,0,1]=3 298 B9R1.6 O=C([O-])C1=CC=CC=C1 SY010134 [0,0,0,0,0,1|2,0,0]=3 299 B9R1.6 O=C([O-])C1=NC=CC=C1 SY037125 [0,0,0,0,0,1|1,0,1]=3 300 B9R1.6 O=S([O-])C1=CC=NC=C1 SY249777 [0,0,0,0,0,1|3,0,0]=4 301 B9R1.13 CC(=O)NC1=CSC=C1 SY002880 [0,0,0,0,0,1|2,0,0]=3 302 B9R1.13 CC(=O)NC1=NC=CS1 SY049337 [0,0,0,0,0,1|1,0,1]=3 303 B9R1.13 CC(=O)NC1=NNC=C1 SY013182 [0,0,0,0,0,1|1,0,1]=3 304 B9R1.13 CC(O)CC1=CC=CO1 SY021784 [0,0,0,0,0,1|1,0,2]=4 305 B9R1.13 CN(C)CC1=CC=CN1 SY017221 [0,0,0,0,0,1|2,0,0]=3 306 B9R1.13 O=C(O)CC1=CC=CN1 SY010732 [0,0,0,0,0,1|1,0,0]=2 307 B9R1.13 O=C(O)CC1=CC=NN1 SY045525 [0,0,0,0,0,1|2,0,0]=3 308 B9R1.13 O=C(O)CC1=CC=NO1 SY226123 [0,0,0,0,0,1|3,0,0]=4 309 B9R1.13 O=C(O)CC1=CN=CO1 SY129690 [0,0,0,0,0,1|3,0,0]=4 310 B9R1.13 O=C(O)CC1=CNC=N1 SY009288 [0,0,0,0,0,1|2,0,1]=4 311 B9R1.13 O=C(O)CC1=CSC=C1 SY001354 [0,0,0,0,0,1|3,0,0]=4 312 B9R1.13 O=C(O)CC1=CSC=N1 SY008170 [0,0,0,0,0,1|2,0,1]=4 313 B9R1.13 O=C(O)CC1=CSC=N1 SY023095 [0,0,0,0,0,1|2,0,1]=4 314 B9R1.13 O=C(O)CC1=NC=CS1 SY025481 [0,0,0,0,0,1|2,0,1]=4 315 B9R1.13 O=C(O)CC1=NNC=C1 SY274439 [0,0,0,0,0,1|2,0,1]=4 316 B9R1.13 O=C(O)CN1C=CC=N1 SY022023 [0,0,0,0,0,1|2,0,1]=4 317 B6R0.4 CO\C=C\C(C)=O SY029615 [1,0,1,0,0,0|1,0,1]=4 318 B6R0.3 C=CC(=O)C(=O)O SY253275 [1,0,1,0,0,0|2,0,0]=4 319 B6R1.2 BrC1=NC=CN1 SY021648 [2,0,0,0,0,0|2,0,0]=4 320 B6R1.2 CC1=CC=CN1 SY004787 [2,0,0,0,0,0|0,0,0]=2 321 B6R1.2 CC1=CC=NO1 SY038700 [2,0,0,0,0,0|2,0,0]=4 322 B6R1.2 CC1=CNC=C1 SY014135 [2,0,0,0,0,0|2,0,0]=4 323 B6R1.2 CC1=COC=N1 SY046619 [2,0,0,0,0,0|1,0,1]=4 324 B6R1.2 CC1=CSC=N1 SY004152 [2,0,0,0,0,0|1,0,1]=4 325 B6R1.2 CC1=NC=CS1 SY009541 [2,0,0,0,0,0|1,0,1]=4 326 B6R1.2 ClC1=CN=CN1 SY056650 [2,0,0,0,0,0|2,0,0]=4 327 B6R1.2 IC1=CC=CS1 SY001504 [2,0,0,0,0,0|2,0,0]=4 328 B6R1.2 NC1=NC=CN1 SY007805 [2,0,0,0,0,0|2,0,0]=4 329 B6R1.2 O=C1C=CCN1 SY032773 [2,0,0,0,0,0|0,0,1]=3 330 B6R1.2 O=C1C=CCO1 SY017893 [2,0,0,0,0,0|1,0,1]=4 331 B6R1.2 O=C1C=CNN1 SY022755 [2,0,0,0,0,0|1,0,0]=3 332 B6R1.2 O=C1C=CSN1 SY045488 [2,0,0,0,0,0|1,0,0]=3 333 B6R1.2 O=C1CC=NN1 SY211686 [2,0,0,0,0,0|1,0,1]=4 334 B6R1.2 O=C1N=CNN1 SY014481 [2,0,0,0,0,0|2,0,0]=4 335 B6R1.2 O=C1NC=CN1 SY006094 [2,0,0,0,0,0|1,0,0]=3 336 B6R1.2 O=C1OC=CO1 SY001314 [2,0,0,0,0,0|2,0,0]=4 337 B6R1.2 OC1=CC=CS1 SY248518 [2,0,0,0,0,0|1,0,1]=4 338 B8R0.6 C\C=C\C=C\C(=O)OC SY115509 [0,1,1,0,0,0|1,0,0]=3 339 B8R0.23 C=C(NC(C)=O)C(=O)O SY026505 [0,1,1,0,0,0|1,0,1]=4 340 B8R1.1 CC1=CC=C(C=O)N1 SY016074 [1,1,0,0,0,0|0,0,0]=2 341 B8R1.1 CC1=CC=C(C=O)O1 SY001535 [1,1,0,0,0,0|1,0,0]=3 342 B8R1.1 CC1=CC=C(C=O)S1 SY005122 [1,1,0,0,0,0|1,0,0]=3 343 B8R1.1 CC1=CN=C(C=O)S1 SY025200 [1,1,0,0,0,0|1,0,1]=4 344 B8R1.1 CC1=CSC(C=O)=C1 SY035937 [1,1,0,0,0,0|1,0,0]=3 345 B8R1.1 CC1=NC(C=O)=CS1 SY033287 [1,1,0,0,0,0|1,0,1]=4 346 B8R1.1 CC1=NC=C(C=O)S1 SY031839 [1,1,0,0,0,0|2,0,0]=4 347 B8R1.1 CC1=NN=C(C=O)N1 SY100562 [1,1,0,0,0,0|2,0,0]=4 348 B8R1.1 CCC1=CC(N)=NN1 SY008703 [1,1,0,0,0,0|1,0,1]=4 349 B8R1.1 CCC1=NC(C)=CN1 SY036797 [1,1,0,0,0,0|1,0,1]=4 350 B8R1.1 CN1C=CC(C=O)=N1 SY030639 [1,1,0,0,0,0|1,0,1]=4 351 B8R1.1 CN1C=NC(C=O)=C1 SY041684 [1,1,0,0,0,0|1,0,1]=4 352 B8R1.1 NC1=NC=C(C=O)S1 SY041952 [1,1,0,0,0,0|2,0,0]=4 353 B8R1.1 O=CC1=CC(Br)=CN1 SY031830 [1,1,0,0,0,0|0,0,0]=2 354 B8R1.1 O=CC1=CC(Br)=CS1 SY002444 [1,1,0,0,0,0|1,0,0]=3 355 B8R1.1 O=CC1=CC(I)=CN1 SY102993 [1,1,0,0,0,0|0,0,0]=2 356 B8R1.1 O=CC1=CC=C(Br)N1 SY114423 [1,1,0,0,0,0|0,0,0]=2 357 B8R1.1 O=CC1=CC=C(Br)O1 SY008053 [1,1,0,0,0,0|1,0,0]=3 358 B8R1.1 O=CC1=CC=C(Br)S1 SY006056 [1,1,0,0,0,0|1,0,0]=3 359 B8R1.1 O=CC1=CC=C(Cl)N1 SY268296 [1,1,0,0,0,0|0,0,0]=2 360 B8R1.1 O=CC1=CC=C(Cl)O1 SY031372 [1,1,0,0,0,0|1,0,0]=3 361 B8R1.1 O=CC1=CC=C(Cl)S1 SY005588 [1,1,0,0,0,0|1,0,0]=3 362 B8R1.1 O=CC1=CN=C(Br)N1 SY023138 [1,1,0,0,0,0|1,0,0]=3 363 B8R1.1 O=CC1=CN=C(Br)S1 SY031622 [1,1,0,0,0,0|2,0,0]=4 364 B8R1.1 O=CC1=CN=C(Cl)S1 SY024025 [1,1,0,0,0,0|2,0,0]=4 365 B8R1.1 O=CC1=CNC(Br)=C1 SY225462 [1,1,0,0,0,0|2,0,0]=4 366 B8R1.1 O=CC1=CNC(I)=C1 SY263118 [1,1,0,0,0,0|2,0,0]=4 367 B8R1.1 O=CC1=CSC(Br)=C1 SY022789 [1,1,0,0,0,0|2,0,0]=4 368 B8R1.1 O=CC1=CSC(Br)=N1 SY031623 [1,1,0,0,0,0|1,0,1]=4 369 B8R1.1 O=CC1=NC(Br)=CS1 SY011906 [1,1,0,0,0,0|1,0,1]=4 370 B8R1.1 O=CC1=NC=C(Br)S1 SY014342 [1,1,0,0,0,0|1,0,1]=4 371 B8R1.8 CCCC1=NC=CN1 SY021502 [1,1,0,0,0,0|1,0,1]=4 372 B8R1.8 CNCC1=CC=CS1 SY002432 [1,1,0,0,0,0|1,0,1]=4 373 B8R1.8 CNCC1=CC=CS1 SY002436 [1,1,0,0,0,0|1,0,1]=4 374 B8R1.8 COCC1=CN=CN1 SY159476 [1,1,0,0,0,0|1,0,1]=4 375 B8R1.8 N#CCC1=CC=CN1 SY017222 [1,1,0,0,0,0|0,0,2]=4 376 B8R1.8 NCCC1=CC=CN1 SY010719 [1,1,0,0,0,0|0,0,1]=3 377 B8R1.8 NCCC1=CC=CN1 SY011737 [1,1,0,0,0,0|0,0,1]=3 378 B8R1.8 NCCC1=CC=CO1 SY021981 [1,1,0,0,0,0|1,0,1]=4 379 B8R1.8 NCCC1=CC=CS1 SY004316 [1,1,0,0,0,0|1,0,1]=4 380 B8R1.8 NCCC1=NC=CN1 SY010697 [1,1,0,0,0,0|1,0,1]=4 381 B8R1.8 NCCC1=NC=CN1 SY059809 [1,1,0,0,0,0|1,0,1]=4 382 B8R1.8 OCCC1=NC=CN1 SY009459 [1,1,0,0,0,0|1,0,1]=4 383 B8R1.11 CC1=C(C=O)NC=C1 SY013401 [1,1,0,0,0,0|0,0,0]=2 384 B8R1.11 CC1=C(C=O)NC=N1 SY017270 [1,1,0,0,0,0|1,0,0]=3 385 B8R1.11 CC1=C(C=O)SC=N1 SY021358 [1,1,0,0,0,0|2,0,0]=4 386 B8R1.11 CCC1=CN=CN1C SY268701 [1,1,0,0,0,0|1,0,1]=4 387 B8R1.11 CN1C=CN=C1C=O SY001200 [1,1,0,0,0,0|1,0,0]=3 388 B8R1.11 CN1C=NC=C1C=O SY017852 [1,1,0,0,0,0|1,0,0]=3 389 B8R1.11 CN1N=CC=C1C=O SY017963 [1,1,0,0,0,0|1,0,0]=3 390 B8R1.11 N#CC1=CC=CN1N SY034308 [1,1,0,0,0,0|1,0,1]=4 391 B8R1.11 N#CC1=CC=CN1N SY097066 [1,1,0,0,0,0|1,0,1]=4 392 B8R1.11 O=CC1=C(Br)C=CS1 SY019172 [1,1,0,0,0,0|1,0,0]=3 393 B8R1.11 O=CC1=C(Br)OC=C1 SY283147 [1,1,0,0,0,0|2,0,0]=4 394 B8R1.11 O=CC1=C(Br)SC=C1 SY106739 [1,1,0,0,0,0|2,0,0]=4 395 B8R1.11 O=CC1=C(Cl)C=CN1 SY048118 [1,1,0,0,0,0|0,0,0]=2 396 B8R1.11 O=CC1=C(Cl)C=CO1 SY236778 [1,1,0,0,0,0|1,0,0]=3 397 B8R1.11 O=CC1=C(I)C=NN1 SY278584 [1,1,0,0,0,0|1,0,0]=3 398 B8R1.11 O=CC1=CSC=C1Br SY041243 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.13 C=C(C)C1=CC=C(Br)C=C1 SY225322 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.13 C=C(C)C1=CC=C(Cl)C=C1 SY048599 [0,1,0,0,0,1|2,0,0]=4 401 B10R1.13 C=C(C)C1=CC=C(F)C=C1 SY048549 [0,1,0,0,0,1|2,0,0]=4 402 B10R1.13 C=C(C)C1=CC=C(I)C=C1 SY225345 [0,1,0,0,0,1|2,0,0]=4 403 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 SY001458 [0,1,0,0,0,1|1,0,0]=3 404 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 SY007796 [0,1,0,0,0,1|0,0,1]=3 405 B10R1.13 CC(=O)C1=CC=C(C)C=N1 SY005233 [0,1,0,0,0,1|0,0,1]=3 406 B10R1.13 CC(=O)C1=CC=C(C)N=C1 SY063969 [0,1,0,0,0,1|0,0,1]=3 407 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 SY017267 [0,1,0,0,0,1|0,0,1]=3 408 B10R1.13 CC(=O)C1=CC=C(F)N=C1 SY022263 [0,1,0,0,0,1|0,0,1]=3 409 B10R1.13 CC(=O)C1=CC=C(I)C=C1 SY011859 [0,1,0,0,0,1|1,0,0]=3 410 B10R1.13 CC(=O)C1=CC=C(N)C=C1 SY011145 [0,1,0,0,0,1|1,0,0]=3 411 B10R1.13 CC(=O)C1=CC=C(O)C=C1 SY009665 [0,1,0,0,0,1|1,0,0]=3 412 B10R1.13 CC(=O)C1=CC=C(O)N=C1 SY022345 [0,1,0,0,0,1|0,0,1]=3 413 B10R1.13 CC(=O)C1=CN=C(C)N=C1 SY020295 [0,1,0,0,0,1|1,0,1]=4 414 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 SY029151 [0,1,0,0,0,1|1,0,1]=4 415 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 SY028282 [0,1,0,0,0,1|0,0,1]=3 416 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 SY022264 [0,1,0,0,0,1|0,0,1]=3 417 B10R1.13 CC(=O)C1=NC=C(F)C=N1 SY029996 [0,1,0,0,0,1|0,0,1]=3 418 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 SY036325 [0,1,0,0,0,1|0,0,1]=3 419 B10R1.13 CC1=CC=C(C(=O)O)C=C1 SY003713 [0,1,0,0,0,1|2,0,0]=4 420 B10R1.13 CC1=CC=C(C(N)=O)C=N1 SY023122 [0,1,0,0,0,1|1,0,1]=4 421 B10R1.13 CC1=CN=C(C(=O)O)C=N1 SY003142 [0,1,0,0,0,1|1,0,1]=4 422 B10R1.13 CC1=NC=C(C(=O)O)C=C1 SY001939 [0,1,0,0,0,1|1,0,1]=4 423 B10R1.13 CC1=NN=C(C(=O)O)C=C1 SY007131 [0,1,0,0,0,1|1,0,1]=4 424 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 SY253160 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 SY020099 [0,1,0,0,0,1|2,0,0]=4 426 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 SY048513 [0,1,0,0,0,1|2,0,0]=4 427 B10R1.13 NC(=O)C1=CC=C(F)C=C1 SY013152 [0,1,0,0,0,1|2,0,0]=4 428 B10R1.13 NC(=O)C1=CC=C(N)C=C1 SY004554 [0,1,0,0,0,1|2,0,0]=4 429 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 SY047606 [0,1,0,0,0,1|1,0,1]=4 430 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 SY004157 [0,1,0,0,0,1|1,0,1]=4 431 B10R1.13 NC(=O)C1=CN=C(N)C=C1 SY038238 [0,1,0,0,0,1|1,0,1]=4 432 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 SY064801 [0,1,0,0,0,1|1,0,1]=4 433 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 SY075316 [0,1,0,0,0,1|1,0,1]=4 434 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 SY021612 [0,1,0,0,0,1|1,0,1]=4 435 B10R1.13 NC(=O)C1=NC=C(N)C=N1 SY006741 [0,1,0,0,0,1|1,0,1]=4 436 B10R1.13 NC(=O)C1=NN=C(Cl)C=C1 SY038664 [0,1,0,0,0,1|1,0,1]=4 437 B10R1.13 NC(=O)C1=NN=C(O)C=C1 SY016718 [0,1,0,0,0,1|1,0,1]=4 438 B10R1.13 NC1=CC=C(C(=O)O)C=C1 SY003749 [0,1,0,0,0,1|2,0,0]=4 439 B10R1.13 NC1=CN=C(C(=O)O)C=C1 SY004398 [0,1,0,0,0,1|1,0,1]=4 440 B10R1.13 NC1=CN=C(C(=O)O)C=N1 SY002809 [0,1,0,0,0,1|1,0,1]=4 441 B10R1.13 NC1=NC=C(C(=O)O)C=C1 SY004091 [0,1,0,0,0,1|1,0,1]=4 442 B10R1.13 NC1=NN=C(C(=O)O)C=C1 SY003537 [0,1,0,0,0,1|1,0,1]=4 443 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 SY001067 [0,1,0,0,0,1|2,0,0]=4 444 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 SY002326 [0,1,0,0,0,1|2,0,0]=4 445 B10R1.13 O=C(O)C1=CC=C(F)C=C1 SY001592 [0,1,0,0,0,1|2,0,0]=4 446 B10R1.13 O=C(O)C1=CC=C(I)C=C1 SY001356 [0,1,0,0,0,1|2,0,0]=4 447 B10R1.13 O=C(O)C1=CC=[N+]([O-])C=C1 SY112139 [0,1,0,0,0,1|2,0,0]=4 448 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 SY002819 [0,1,0,0,0,1|1,0,1]=4 449 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 SY001709 [0,1,0,0,0,1|1,0,1]=4 450 B10R1.13 O=C(O)C1=CN=C(Cl)C=N1 SY018611 [0,1,0,0,0,1|1,0,1]=4 451 B10R1.13 O=C(O)C1=CN=C(F)C=C1 SY004391 [0,1,0,0,0,1|1,0,1]=4 452 B10R1.13 O=C(O)C1=CN=C(I)C=C1 SY310699 [0,1,0,0,0,1|1,0,1]=4 453 B10R1.13 O=C(O)C1=CN=C(O)C=C1 SY004348 [0,1,0,0,0,1|1,0,1]=4 454 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 SY002993 [0,1,0,0,0,1|1,0,1]=4 455 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 SY003477 [0,1,0,0,0,1|1,0,1]=4 456 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 SY018532 [0,1,0,0,0,1|1,0,1]=4 457 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 SY007343 [0,1,0,0,0,1|1,0,1]=4 458 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 SY029327 [0,1,0,0,0,1|1,0,1]=4 459 B10R1.13 O=C(O)C1=NC=C(F)C=C1 SY008116 [0,1,0,0,0,1|1,0,1]=4 460 B10R1.13 O=C(O)C1=NC=C(F)N=C1 SY242638 [0,1,0,0,0,1|1,0,1]=4 461 B10R1.13 O=C(O)C1=NC=C(O)C=C1 SY013072 [0,1,0,0,0,1|1,0,1]=4 462 B10R1.13 O=C(O)C1=NC=C(O)C=C1 SY026499 [0,1,0,0,0,1|1,0,1]=4 463 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 SY181701 [0,1,0,0,0,1|1,0,1]=4 464 B10R1.13 O=C(O)C1=NN=C(Cl)C=C1 SY003010 [0,1,0,0,0,1|1,0,1]=4 465 B10R1.13 O=C(O)C1=NN=C(O)C=C1 SY006732 [0,1,0,0,0,1|1,0,1]=4 466 B10R1.13 O=C(O)C1=NN=C(O)C=C1 SY007138 [0,1,0,0,0,1|1,0,1]=4 467 B10R1.15 CC(C=O)C1=CC=CC=C1 SY049214 [0,1,0,0,0,1|1,0,1]=4 468 B10R1.15 CCC(=O)C1=CC=CC=N1 SY005362 [0,1,0,0,0,1|0,0,1]=3 469 B10R1.15 CN(N=O)C1=CC=CC=C1 SY052228 [0,1,0,0,0,1|2,0,0]=4 470 B10R1.15 CNC(=O)C1=CC=CC=C1 SY037937 [0,1,0,0,0,1|1,0,0]=3 471 B10R1.15 COC(=O)C1=CCCNC1 SY040268 [0,1,0,0,0,1|0,0,2]=4 472 B10R1.15 COC(=O)C1=CN=CC=N1 SY006191 [0,1,0,0,0,1|0,0,1]=3 473 B10R1.15 COC(=O)C1=CN=CN=C1 SY096988 [0,1,0,0,0,1|1,0,1]=4 474 B10R1.15 COC(=O)C1=CN=NC=C1 SY004472 [0,1,0,0,0,1|1,0,1]=4 475 B10R1.15 COC(=O)C1=NC=CC=C1 SY005022 [0,1,0,0,0,1|0,0,1]=3 476 B10R1.15 COC(=O)C1=NC=CC=N1 SY006773 [0,1,0,0,0,1|0,0,1]=3 477 B10R1.15 COC(=O)C1=NC=NC=C1 SY019964 [0,1,0,0,0,1|0,0,1]=3 478 B10R1.15 COS(=O)C1=CC=CC=C1 SY050665 [0,1,0,0,0,1|2,0,0]=4 479 B10R1.15 C[C@H](C=O)C1=CC=CC=C1 SY036236 [0,1,0,0,0,1|1,0,1]=4 480 B10R1.15 C\C(=N\O)C1=CC=CC=C1 SY057978 [0,1,0,0,0,1|1,0,1]=4 481 B10R1.15 NCC(=O)C1=CC=CC=C1 SY007242 [0,1,0,0,0,1|1,0,0]=3 482 B10R1.15 NNC(=O)C1=CC=NC=C1 SY010614 [0,1,0,0,0,1|2,0,0]=4 483 B10R1.15 NNC(=O)C1=CN=CC=C1 SY033050 [0,1,0,0,0,1|1,0,1]=4 484 B10R1.15 NNC(=O)C1=NC=CC=C1 SY021575 [0,1,0,0,0,1|1,0,1]=4 485 B10R1.15 NNC(=O)C1=NC=CN=C1 SY025964 [0,1,0,0,0,1|1,0,1]=4 486 B10R1.15 NNC(=O)C1=NC=NC=C1 SY110139 [0,1,0,0,0,1|1,0,1]=4 487 B10R1.15 O=C(CBr)C1=CC=CN=C1 SY023116 [0,1,0,0,0,1|0,0,1]=3 488 B10R1.15 O=C(CBr)C1=NC=CC=C1 SY007962 [0,1,0,0,0,1|0,0,1]=3 489 B10R1.15 O=C(CBr)C1=NC=CC=C1 SY226653 [0,1,0,0,0,1|0,0,1]=3 490 B10R1.15 O=C(CCl)C1=CC=NC=C1 SY011676 [0,1,0,0,0,1|1,0,0]=3 491 B10R1.15 O=C(CO)C1=CC=CC=C1 SY014756 [0,1,0,0,0,1|1,0,0]=3 492 B10R1.15 O=C(CO)C1=CC=CN=C1 SY131032 [0,1,0,0,0,1|0,0,1]=3 493 B10R1.15 O=C(CO)C1=CC=NC=C1 SY131033 [0,1,0,0,0,1|1,0,0]=3 494 B10R1.15 O=C(CO)C1=NC=CC=C1 SY131031 [0,1,0,0,0,1|0,0,1]=3 495 B10R1.15 O=CC(=O)C1=CC=CC=C1 SY047494 [0,1,0,0,0,1|1,0,1]=4 496 B10R1.28 C1=CC=C(S(C)(=O)=O)C=C1 SY246294 [0,1,0,0,0,1|2,0,0]=4 497 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 SY018221 [0,1,0,0,0,1|2,0,0]=4 498 B10R1.28 CS(=O)(=O)C1=NC=CC=N1 SY039389 [0,1,0,0,0,1|1,0,1]=4 499 B10R1.61 C=C(C)C1=CC=CC=C1F SY154483 [0,1,0,0,0,1|2,0,0]=4 500 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 SY029921 [0,1,0,0,0,1|1,0,0]=3 501 B10R1.61 CC(=O)C1=C(C)C=CC=N1 SY005230 [0,1,0,0,0,1|0,0,1]=3 502 B10R1.61 CC(=O)C1=C(F)C=NC=C1 SY011662 [0,1,0,0,0,1|1,0,0]=3 503 B10R1.61 CC(=O)C1=C(I)C=CC=C1 SY010667 [0,1,0,0,0,1|1,0,0]=3 504 B10R1.61 CC(=O)C1=CC=CC=C1Br SY002108 [0,1,0,0,0,1|1,0,0]=3 505 B10R1.61 CC(=O)C1=CC=CC=C1C SY002283 [0,1,0,0,0,1|1,0,0]=3 506 B10R1.61 CC(=O)C1=CC=CC=C1N SY001368 [0,1,0,0,0,1|1,0,0]=3 507 B10R1.61 CC(=O)C1=CC=CN=C1C SY108212 [0,1,0,0,0,1|0,0,1]=3 508 B10R1.61 CC(=O)C1=CC=CN=C1Cl SY007174 [0,1,0,0,0,1|0,0,1]=3 509 B10R1.61 CC(=O)C1=CC=CN=C1F SY064682 [0,1,0,0,0,1|0,0,1]=3 510 B10R1.61 CC(=O)C1=CC=CN=C1N SY040774 [0,1,0,0,0,1|0,0,1]=3 511 B10R1.61 CC(=O)C1=NC=CC=C1Br SY029920 [0,1,0,0,0,1|0,0,1]=3 512 B10R1.61 CC(=O)C1=NC=CC=C1F SY022346 [0,1,0,0,0,1|0,0,1]=3 513 B10R1.61 CC(=O)C1=NC=CC=C1N SY240339 [0,1,0,0,0,1|0,0,1]=3 514 B10R1.61 CC(=O)C1=NC=CN=C1C SY027476 [0,1,0,0,0,1|0,0,1]=3 515 B10R1.61 CC1=C(C(=O)O)C=CC=C1 SY008811 [0,1,0,0,0,1|2,0,0]=4 516 B10R1.61 CC1=C(C(=O)O)C=CN=C1 SY013083 [0,1,0,0,0,1|2,0,0]=4 517 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SY003372 [0,1,0,0,0,1|1,0,1]=4 518 B10R1.61 CC1=CC=CN=C1C(=O)O SY005196 [0,1,0,0,0,1|1,0,1]=4 519 B10R1.61 CC1=CN=CN=C1C(=O)O SY114951 [0,1,0,0,0,1|1,0,1]=4 520 B10R1.61 CC1=NC=CC=C1C(=O)O SY007014 [0,1,0,0,0,1|1,0,1]=4 521 B10R1.61 CC1=NC=CN=C1C(=O)O SY006147 [0,1,0,0,0,1|1,0,1]=4 522 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 SY013017 [0,1,0,0,0,1|2,0,0]=4 523 B10R1.61 NC(=O)C1=C(Cl)N=CC=C1 SY006428 [0,1,0,0,0,1|1,0,1]=4 524 B10R1.61 NC(=O)C1=C(I)C=CC=C1 SY013782 [0,1,0,0,0,1|2,0,0]=4 525 B10R1.61 NC(=O)C1=C(N)N=CC=C1 SY007086 [0,1,0,0,0,1|1,0,1]=4 526 B10R1.61 NC(=O)C1=CC=CC=C1Br SY026521 [0,1,0,0,0,1|2,0,0]=4 527 B10R1.61 NC(=O)C1=CC=CC=C1F SY023168 [0,1,0,0,0,1|2,0,0]=4 528 B10R1.61 NC(=O)C1=CC=CC=C1N SY001144 [0,1,0,0,0,1|2,0,0]=4 529 B10R1.61 NC(=O)C1=CC=NC=C1N SY024370 [0,1,0,0,0,1|2,0,0]=4 530 B10R1.61 NC(=O)C1=CC=NNC1=O SY017202 [0,1,0,0,0,1|2,0,0]=4 531 B10R1.61 NC(=O)C1=NC=CN=C1Cl SY021613 [0,1,0,0,0,1|1,0,1]=4 532 B10R1.61 NC(=O)C1=NC=CN=C1O SY017450 [0,1,0,0,0,1|1,0,1]=4 533 B10R1.61 NC1=C(C(=O)O)C=CC=N1 SY001124 [0,1,0,0,0,1|1,0,1]=4 534 B10R1.61 NC1=C(C(=O)O)N=CC=N1 SY005247 [0,1,0,0,0,1|1,0,1]=4 535 B10R1.61 NC1=C(C(=O)O)N=NC=C1 SY008428 [0,1,0,0,0,1|1,0,1]=4 536 B10R1.61 NC1=CC=CN=C1C(=O)O SY005540 [0,1,0,0,0,1|1,0,1]=4 537 B10R1.61 NC1=CC=NC=C1C(=O)O SY005556 [0,1,0,0,0,1|1,0,1]=4 538 B10R1.61 NC1=CN=CC=C1C(=O)O SY003330 [0,1,0,0,0,1|2,0,0]=4 539 B10R1.61 O=C(Cl)C1=CC=CN=C1Cl SY001379 [0,1,0,0,0,1|1,0,1]=4 540 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 SY003796 [0,1,0,0,0,1|2,0,0]=4 541 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 SY007802 [0,1,0,0,0,1|2,0,0]=4 542 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 SY007643 [0,1,0,0,0,1|2,0,0]=4 543 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 SY001758 [0,1,0,0,0,1|1,0,1]=4 544 B10R1.61 O=C(O)C1=C(F)C=NC=C1 SY021120 [0,1,0,0,0,1|2,0,0]=4 545 B10R1.61 O=C(O)C1=C(F)N=CC=C1 SY004382 [0,1,0,0,0,1|1,0,1]=4 546 B10R1.61 O=C(O)C1=C(O)C=CC=N1 SY017848 [0,1,0,0,0,1|1,0,1]=4 547 B10R1.61 O=C(O)C1=C(O)C=CN=C1 SY013019 [0,1,0,0,0,1|1,0,1]=4 548 B10R1.61 O=C(O)C1=C(O)N=CC=C1 SY003611 [0,1,0,0,0,1|1,0,1]=4 549 B10R1.61 O=C(O)C1=C(S)C=CC=C1 SY007814 [0,1,0,0,0,1|2,0,0]=4 550 B10R1.61 O=C(O)C1=C(S)N=CC=C1 SY018289 [0,1,0,0,0,1|1,0,1]=4 551 B10R1.61 O=C(O)C1=CC=CC=C1F SY001376 [0,1,0,0,0,1|2,0,0]=4 552 B10R1.61 O=C(O)C1=CC=CC=C1I SY001344 [0,1,0,0,0,1|2,0,0]=4 553 B10R1.61 O=C(O)C1=CC=CN=C1Br SY013308 [0,1,0,0,0,1|1,0,1]=4 554 B10R1.61 O=C(O)C1=CC=NC=C1O SY007397 [0,1,0,0,0,1|2,0,0]=4 555 B10R1.61 O=C(O)C1=CC=NNC1=O SY027338 [0,1,0,0,0,1|2,0,0]=4 556 B10R1.61 O=C(O)C1=CN=CC=C1Cl SY006770 [0,1,0,0,0,1|1,0,1]=4 557 B10R1.61 O=C(O)C1=CN=CNC1=O SY009650 [0,1,0,0,0,1|2,0,0]=4 558 B10R1.61 O=C(O)C1=NC=CC=C1Br SY004667 [0,1,0,0,0,1|1,0,1]=4 559 B10R1.61 O=C(O)C1=NC=CC=C1Cl SY007503 [0,1,0,0,0,1|1,0,1]=4 560 B10R1.61 O=C(O)C1=NC=CC=C1F SY013087 [0,1,0,0,0,1|1,0,1]=4 561 B10R1.61 O=C(O)C1=NC=CC=C1F SY016097 [0,1,0,0,0,1|1,0,1]=4 562 B10R1.61 O=C(O)C1=NC=CN=C1Br SY021901 [0,1,0,0,0,1|1,0,1]=4 563 B10R1.61 O=C(O)C1=NC=CN=C1Cl SY013464 [0,1,0,0,0,1|1,0,1]=4 564 B10R1.61 O=C(O)C1=NC=CN=C1I SY023922 [0,1,0,0,0,1|1,0,1]=4 565 B10R1.61 O=C(O)C1=NC=CN=C1O SY017462 [0,1,0,0,0,1|1,0,1]=4 566 B10R1.61 O=C([O-])C1=CC=CC=C1O SY013574 [0,1,0,0,0,1|2,0,0]=4 567 B10R1.113 C=C(C)C1=CC(C)=CC=C1 SY225337 [0,1,0,0,0,1|2,0,0]=4 568 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 SY225323 [0,1,0,0,0,1|2,0,0]=4 569 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 SY225324 [0,1,0,0,0,1|2,0,0]=4 570 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 SY020986 [0,1,0,0,0,1|0,0,1]=3 571 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 SY117232 [0,1,0,0,0,1|1,0,0]=3 572 B10R1.113 CC(=O)C1=CC(C)=CC=N1 SY005272 [0,1,0,0,0,1|0,0,1]=3 573 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 SY007670 [0,1,0,0,0,1|1,0,0]=3 574 B10R1.113 CC(=O)C1=CC(F)=CN=C1 SY105167 [0,1,0,0,0,1|0,0,1]=3 575 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 SY001472 [0,1,0,0,0,1|1,0,0]=3 576 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 SY005798 [0,1,0,0,0,1|0,0,1]=3 577 B10R1.113 CC(=O)C1=CC=CC(C)=N1 SY015030 [0,1,0,0,0,1|0,0,1]=3 578 B10R1.113 CC(=O)C1=CC=CC(F)=C1 SY007259 [0,1,0,0,0,1|1,0,0]=3 579 B10R1.113 CC(=O)C1=CC=CC(I)=C1 SY109511 [0,1,0,0,0,1|1,0,0]=3 580 B10R1.113 CC(=O)C1=CC=CC(N)=C1 SY001475 [0,1,0,0,0,1|1,0,0]=3 581 B10R1.113 CC(=O)C1=CC=CC(O)=C1 SY004849 [0,1,0,0,0,1|1,0,0]=3 582 B10R1.113 CC(=O)C1=NC(Cl)=NC=C1 SY114455 [0,1,0,0,0,1|0,0,1]=3 583 B10R1.113 CC(=O)C1=NC(N)=NC=C1 SY112748 [0,1,0,0,0,1|0,0,1]=3 584 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 SY043151 [0,1,0,0,0,1|0,0,1]=3 585 B10R1.113 CC1=CC(C(=O)O)=CN=C1 SY004561 [0,1,0,0,0,1|1,0,1]=4 586 B10R1.113 CC1=CC=CC(C(=O)O)=N1 SY004175 [0,1,0,0,0,1|1,0,1]=4 587 B10R1.113 CC1=CN=CC(C(=O)O)=N1 SY017452 [0,1,0,0,0,1|1,0,1]=4 588 B10R1.113 CC1=NC=CC(C(=O)O)=C1 SY013049 [0,1,0,0,0,1|2,0,0]=4 589 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 SY001775 [0,1,0,0,0,1|1,0,1]=4 590 B10R1.113 NC(=O)C1=CC(F)=CC=C1 SY016219 [0,1,0,0,0,1|2,0,0]=4 591 B10R1.113 NC(=O)C1=CC(F)=CC=N1 SY007027 [0,1,0,0,0,1|1,0,1]=4 592 B10R1.113 NC(=O)C1=CC(N)=NC=C1 SY017536 [0,1,0,0,0,1|2,0,0]=4 593 B10R1.113 NC(=O)C1=CC(O)=CC=C1 SY004825 [0,1,0,0,0,1|2,0,0]=4 594 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 SY020170 [0,1,0,0,0,1|2,0,0]=4 595 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 SY030316 [0,1,0,0,0,1|2,0,0]=4 596 B10R1.113 NC(=O)C1=CC=CC(I)=C1 SY041741 [0,1,0,0,0,1|2,0,0]=4 597 B10R1.113 NC(=O)C1=CC=CC(N)=C1 SY012693 [0,1,0,0,0,1|2,0,0]=4 598 B10R1.113 NC(=O)C1=CN=CC(F)=C1 SY008440 [0,1,0,0,0,1|1,0,1]=4 599 B10R1.113 NC(=O)C1=CN=CC(N)=C1 SY019492 [0,1,0,0,0,1|1,0,1]=4 600 B10R1.113 NC(=O)C1=NC(Cl)=CN=C1 SY023917 [0,1,0,0,0,1|1,0,1]=4 601 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 SY007414 [0,1,0,0,0,1|1,0,1]=4 602 B10R1.113 NC(=O)C1=NC=CC(N)=C1 SY105172 [0,1,0,0,0,1|1,0,1]=4 603 B10R1.113 NC(=O)C1=NC=NC(O)=C1 SY247994 [0,1,0,0,0,1|1,0,1]=4 604 B10R1.113 NC1=CC(C(=O)O)=CC=C1 SY001800 [0,1,0,0,0,1|2,0,0]=4 605 B10R1.113 NC1=CC(C(=O)O)=NC=C1 SY009458 [0,1,0,0,0,1|1,0,1]=4 606 B10R1.113 NC1=CC(C(=O)O)=NC=C1 SY023428 [0,1,0,0,0,1|1,0,1]=4 607 B10R1.113 NC1=CC(C(=O)O)=NC=C1 SY026378 [0,1,0,0,0,1|1,0,1]=4 608 B10R1.113 NC1=CC=CC(C(=O)O)=N1 SY005202 [0,1,0,0,0,1|1,0,1]=4 609 B10R1.113 NC1=CN=CC(C(=O)O)=N1 SY017453 [0,1,0,0,0,1|1,0,1]=4 610 B10R1.113 NC1=NC=CC(C(=O)O)=N1 SY021660 [0,1,0,0,0,1|1,0,1]=4 611 B10R1.113 O=C(Cl)C1=CC=CC(F)=C1 SY006091 [0,1,0,0,0,1|2,0,0]=4 612 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 SY017174 [0,1,0,0,0,1|2,0,0]=4 613 B10R1.113 O=C(O)C1=CC(Cl)=CN=C1 SY013173 [0,1,0,0,0,1|1,0,1]=4 614 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 SY003272 [0,1,0,0,0,1|2,0,0]=4 615 B10R1.113 O=C(O)C1=CC(F)=CC=N1 SY009049 [0,1,0,0,0,1|1,0,1]=4 616 B10R1.113 O=C(O)C1=CC(F)=NC=C1 SY024079 [0,1,0,0,0,1|2,0,0]=4 617 B10R1.113 O=C(O)C1=CC(I)=NC=C1 SY275245 [0,1,0,0,0,1|2,0,0]=4 618 B10R1.113 O=C(O)C1=CC(O)=NC=C1 SY007554 [0,1,0,0,0,1|2,0,0]=4 619 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 SY001482 [0,1,0,0,0,1|2,0,0]=4 620 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 SY001122 [0,1,0,0,0,1|2,0,0]=4 621 B10R1.113 O=C(O)C1=CC=CC(F)=C1 SY002150 [0,1,0,0,0,1|2,0,0]=4 622 B10R1.113 O=C(O)C1=CC=CC(F)=N1 SY016861 [0,1,0,0,0,1|1,0,1]=4 623 B10R1.113 O=C(O)C1=CC=CC(I)=C1 SY001406 [0,1,0,0,0,1|2,0,0]=4 624 B10R1.113 O=C(O)C1=CC=C[N+]([O-])=C1 SY112140 [0,1,0,0,0,1|1,0,1]=4 625 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 SY001554 [0,1,0,0,0,1|1,0,1]=4 626 B10R1.113 O=C(O)C1=CN=CC(F)=C1 SY005275 [0,1,0,0,0,1|1,0,1]=4 627 B10R1.113 O=C(O)C1=CN=CC(O)=C1 SY003082 [0,1,0,0,0,1|1,0,1]=4 628 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 SY004392 [0,1,0,0,0,1|1,0,1]=4 629 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 SY059121 [0,1,0,0,0,1|1,0,1]=4 630 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 SY121371 [0,1,0,0,0,1|1,0,1]=4 631 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 SY007552 [0,1,0,0,0,1|1,0,1]=4 632 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 SY017455 [0,1,0,0,0,1|1,0,1]=4 633 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 SY009367 [0,1,0,0,0,1|1,0,1]=4 634 B10R1.113 O=C(O)C1=NC(O)=CC=C1 SY003534 [0,1,0,0,0,1|1,0,1]=4 635 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 SY002817 [0,1,0,0,0,1|1,0,1]=4 636 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 SY003269 [0,1,0,0,0,1|1,0,1]=4 637 B10R1.113 O=C(O)C1=NC=CC(I)=C1 SY031004 [0,1,0,0,0,1|1,0,1]=4 638 B10R1.113 O=C(O)C1=NC=CC(O)=C1 SY011044 [0,1,0,0,0,1|1,0,1]=4 639 B10R1.113 O=C(O)C1=NC=CC(O)=C1 SY013177 [0,1,0,0,0,1|1,0,1]=4 640 B10R1.113 O=C(O)C1=NC=NC(O)=C1 SY006725 [0,1,0,0,0,1|1,0,1]=4 641 B10R1.113 O=C1N=C(C(=O)O)C=CN1 SY022754 [0,1,0,0,0,1|1,0,1]=4 642 B10R1.23 CC(=O)C(=O)C1=CSC=C1 SY253253 [0,1,0,0,0,1|2,0,0]=4 643 B10R1.23 NC(=O)C(=O)C1=CC=CO1 SY271764 [0,1,0,0,0,1|2,0,0]=4 644 B10R1.23 NC(C(=O)O)C1=CC=CS1 SY014049 [0,1,0,0,0,1|2,0,0]=4 645 B10R1.23 O=C(O)C(=O)C1=CC=CN1 SY299895 [0,1,0,0,0,1|1,0,0]=3 646 B10R1.27 COC(=O)CC1=CC=CS1 SY233030 [0,1,0,0,0,1|1,0,0]=3 647 B10R1.54 CC(=O)NC1=CC=C(Br)S1 SY029595 [0,1,0,0,0,1|1,0,0]=3 648 B10R1.54 CC(=O)NC1=NC(C)=CS1 SY045700 [0,1,0,0,0,1|1,0,1]=4 649 B10R1.54 NC1=NNC(CC(=O)O)=C1 SY034307 [0,1,0,0,0,1|2,0,0]=4 650 B10R1.54 O=C(Cl)CC1=CC=C(Br)S1 SY261965 [0,1,0,0,0,1|2,0,0]=4 651 B10R1.54 O=C(O)CC1=CC=C(Br)S1 SY077014 [0,1,0,0,0,1|2,0,0]=4 652 B10R1.64 O=C(O)CC1=C(Cl)C=CO1 SY233430 [0,1,0,0,0,1|2,0,0]=4 653 B10R1.281 C[N+](C)(C)CC1=CC=CN1 SY262601 [0,1,0,0,0,1|2,0,0]=4 654 B10R1.11 CCOC(=O)C1=CC=CN1 SY006751 [0,2,0,0,0,0|0,0,0]=2 655 B10R1.11 CCOC(=O)C1=CC=CO1 SY013608 [0,2,0,0,0,0|1,0,0]=3 656 B10R1.11 CCOC(=O)C1=CN=CO1 SY025474 [0,2,0,0,0,0|2,0,0]=4 657 B10R1.11 CCOC(=O)C1=CN=CS1 SY033057 [0,2,0,0,0,0|2,0,0]=4 658 B10R1.11 CCOC(=O)C1=CNC=N1 SY009035 [0,2,0,0,0,0|1,0,1]=4 659 B10R1.11 CCOC(=O)C1=COC=C1 SY050805 [0,2,0,0,0,0|2,0,0]=4 660 B10R1.11 CCOC(=O)C1=COC=N1 SY020022 [0,2,0,0,0,0|1,0,1]=4 661 B10R1.11 CCOC(=O)C1=CSC=C1 SY020096 [0,2,0,0,0,0|2,0,0]=4 662 B10R1.11 CCOC(=O)C1=CSC=N1 SY007521 [0,2,0,0,0,0|1,0,1]=4 663 B10R1.11 CCOC(=O)C1=NC=CN1 SY008432 [0,2,0,0,0,0|1,0,0]=3 664 B10R1.11 CCOC(=O)C1=NC=CO1 SY015034 [0,2,0,0,0,0|1,0,1]=4 665 B10R1.11 CCOC(=O)C1=NC=CS1 SY006151 [0,2,0,0,0,0|1,0,1]=4 666 B10R1.11 CCOC(=O)C1=NNC=C1 SY012805 [0,2,0,0,0,0|1,0,1]=4 667 B10R1.11 CCOC(=O)C1=NOC=C1 SY066081 [0,2,0,0,0,0|1,0,1]=4 668 B10R1.11 N#CCC(=O)C1=CSC=C1 SY173762 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.11 N#CCC(=O)C1=NC=CS1 SY046390 [0,2,0,0,0,0|1,0,1]=4 670 B10R1.14 CC1=CC=C(C(=O)CO)O1 SY131039 [0,2,0,0,0,0|1,0,0]=3 671 B10R1.14 CC1=CC=C(C(=O)CO)S1 SY131041 [0,2,0,0,0,0|1,0,0]=3 672 B10R1.14 COC(=O)C1=CC(Br)=CN1 SY007031 [0,2,0,0,0,0|0,0,0]=2 673 B10R1.14 COC(=O)C1=CC(Br)=CO1 SY023052 [0,2,0,0,0,0|1,0,0]=3 674 B10R1.14 COC(=O)C1=CC(Br)=CS1 SY096947 [0,2,0,0,0,0|1,0,0]=3 675 B10R1.14 COC(=O)C1=CC(F)=CN1 SY016341 [0,2,0,0,0,0|0,0,0]=2 676 B10R1.14 COC(=O)C1=CC(F)=CS1 SY273933 [0,2,0,0,0,0|1,0,0]=3 677 B10R1.14 COC(=O)C1=CC(I)=CN1 SY029016 [0,2,0,0,0,0|0,0,0]=2 678 B10R1.14 COC(=O)C1=CC(N)=CO1 SY269578 [0,2,0,0,0,0|1,0,0]=3 679 B10R1.14 COC(=O)C1=CC(N)=CS1 SY026160 [0,2,0,0,0,0|1,0,0]=3 680 B10R1.14 COC(=O)C1=CC(O)=NO1 SY032405 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.14 COC(=O)C1=CC=C(Br)N1 SY037210 [0,2,0,0,0,0|0,0,0]=2 682 B10R1.14 COC(=O)C1=CC=C(Br)O1 SY022677 [0,2,0,0,0,0|1,0,0]=3 683 B10R1.14 COC(=O)C1=CC=C(Br)S1 SY020860 [0,2,0,0,0,0|1,0,0]=3 684 B10R1.14 COC(=O)C1=CC=C(Cl)O1 SY030840 [0,2,0,0,0,0|1,0,0]=3 685 B10R1.14 COC(=O)C1=CC=C(N)O1 SY036521 [0,2,0,0,0,0|1,0,0]=3 686 B10R1.14 COC(=O)C1=CC=C(N)S1 SY104197 [0,2,0,0,0,0|1,0,0]=3 687 B10R1.14 COC(=O)C1=CN(C)C=N1 SY018598 [0,2,0,0,0,0|1,0,1]=4 688 B10R1.14 COC(=O)C1=CN=C(Br)S1 SY004483 [0,2,0,0,0,0|2,0,0]=4 689 B10R1.14 COC(=O)C1=CN=C(Cl)O1 SY107008 [0,2,0,0,0,0|2,0,0]=4 690 B10R1.14 COC(=O)C1=CN=C(N)S1 SY003641 [0,2,0,0,0,0|2,0,0]=4 691 B10R1.14 COC(=O)C1=CNC(=O)N1 SY018247 [0,2,0,0,0,0|1,0,0]=3 692 B10R1.14 COC(=O)C1=CNC(Br)=C1 SY006285 [0,2,0,0,0,0|2,0,0]=4 693 B10R1.14 COC(=O)C1=CNC(C)=C1 SY292839 [0,2,0,0,0,0|2,0,0]=4 694 B10R1.14 COC(=O)C1=CNC(Cl)=C1 SY249600 [0,2,0,0,0,0|2,0,0]=4 695 B10R1.14 COC(=O)C1=COC(C)=N1 SY018269 [0,2,0,0,0,0|1,0,1]=4 696 B10R1.14 COC(=O)C1=COC(Cl)=N1 SY104314 [0,2,0,0,0,0|1,0,1]=4 697 B10R1.14 COC(=O)C1=COC(N)=N1 SY065484 [0,2,0,0,0,0|1,0,1]=4 698 B10R1.14 COC(=O)C1=CSC(Br)=C1 SY114933 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.14 COC(=O)C1=CSC(Br)=N1 SY015458 [0,2,0,0,0,0|1,0,1]=4 700 B10R1.14 COC(=O)C1=CSC(C)=N1 SY276004 [0,2,0,0,0,0|1,0,1]=4 701 B10R1.14 COC(=O)C1=CSC(N)=N1 SY004574 [0,2,0,0,0,0|1,0,1]=4 702 B10R1.14 COC(=O)C1=NC(Br)=CS1 SY042349 [0,2,0,0,0,0|1,0,1]=4 703 B10R1.14 COC(=O)C1=NC(C)=CS1 SY022687 [0,2,0,0,0,0|1,0,1]=4 704 B10R1.14 COC(=O)C1=NC=C(Br)S1 SY097795 [0,2,0,0,0,0|1,0,1]=4 705 B10R1.14 COC(=O)C1=NC=C(C)S1 SY022685 [0,2,0,0,0,0|1,0,1]=4 706 B10R1.14 COC(=O)C1=NC=C(Cl)S1 SY272283 [0,2,0,0,0,0|1,0,1]=4 707 B10R1.14 COC(=O)C1=NN(C)C=C1 SY019559 [0,2,0,0,0,0|1,0,1]=4 708 B10R1.14 COC(=O)C1=NNC(Br)=C1 SY024058 [0,2,0,0,0,0|1,0,1]=4 709 B10R1.14 COC(=O)C1=NNC(C)=C1 SY051122 [0,2,0,0,0,0|1,0,1]=4 710 B10R1.14 COC(=O)C1=NNC(N)=C1 SY017408 [0,2,0,0,0,0|1,0,1]=4 711 B10R1.14 O=C(CBr)C1=CC=C(Cl)S1 SY079930 [0,2,0,0,0,0|1,0,0]=3 712 B10R1.14 O=C(CCl)C1=CC=C(Br)S1 SY285539 [0,2,0,0,0,0|1,0,0]=3 713 B10R1.149 CN1C=CC=C1C(=O)CCl SY014280 [0,2,0,0,0,0|0,0,0]=2 714 B10R1.149 COC(=O)C1=C(Br)C=CN1 SY026993 [0,2,0,0,0,0|0,0,0]=2 715 B10R1.149 COC(=O)C1=C(Br)C=CS1 SY011458 [0,2,0,0,0,0|1,0,0]=3 716 B10R1.149 COC(=O)C1=C(Br)SC=C1 SY113397 [0,2,0,0,0,0|2,0,0]=4 717 B10R1.149 COC(=O)C1=C(Br)SC=N1 SY006171 [0,2,0,0,0,0|1,0,1]=4 718 B10R1.149 COC(=O)C1=C(C)C=CO1 SY048278 [0,2,0,0,0,0|1,0,0]=3 719 B10R1.149 COC(=O)C1=C(C)C=CS1 SY004425 [0,2,0,0,0,0|1,0,0]=3 720 B10R1.149 COC(=O)C1=C(C)N=CS1 SY030961 [0,2,0,0,0,0|2,0,0]=4 721 B10R1.149 COC(=O)C1=C(C)SC=C1 SY047611 [0,2,0,0,0,0|2,0,0]=4 722 B10R1.149 COC(=O)C1=C(Cl)C=CN1 SY019982 [0,2,0,0,0,0|0,0,0]=2 723 B10R1.149 COC(=O)C1=C(F)C=CO1 SY236188 [0,2,0,0,0,0|1,0,0]=3 724 B10R1.149 COC(=O)C1=C(F)C=CS1 SY055213 [0,2,0,0,0,0|1,0,0]=3 725 B10R1.149 COC(=O)C1=C(N)C=CO1 SY056887 [0,2,0,0,0,0|1,0,0]=3 726 B10R1.149 COC(=O)C1=C(N)C=CS1 SY001494 [0,2,0,0,0,0|1,0,0]=3 727 B10R1.149 COC(=O)C1=C(N)N=CS1 SY046700 [0,2,0,0,0,0|2,0,0]=4 728 B10R1.149 COC(=O)C1=C(N)NC=N1 SY046689 [0,2,0,0,0,0|1,0,1]=4 729 B10R1.149 COC(=O)C1=C(N)SC=C1 SY003509 [0,2,0,0,0,0|2,0,0]=4 730 B10R1.149 COC(=O)C1=C(O)C=CS1 SY007301 [0,2,0,0,0,0|1,0,0]=3 731 B10R1.149 COC(=O)C1=CC=CN1N SY117274 [0,2,0,0,0,0|0,0,0]=2 732 B10R1.149 COC(=O)C1=CC=NN1C SY041950 [0,2,0,0,0,0|1,0,0]=3 733 B10R1.149 COC(=O)C1=CN=CN1C SY007652 [0,2,0,0,0,0|1,0,0]=3 734 B10R1.149 COC(=O)C1=CN=NN1C SY008376 [0,2,0,0,0,0|2,0,0]=4 735 B10R1.149 COC(=O)C1=CSC=C1N SY059435 [0,2,0,0,0,0|2,0,0]=4 736 B10R1.149 COC(=O)C1=NC=NN1C SY123303 [0,2,0,0,0,0|2,0,0]=4 737 B10R1.149 COC(=O)C1=NNC=C1Br SY030486 [0,2,0,0,0,0|1,0,1]=4 738 B10R1.149 COC(=O)C1=NNC=C1Cl SY026816 [0,2,0,0,0,0|1,0,1]=4 739 B10R1.31 CC(=O)C1=CC(C#N)=CS1 SY272604 [0,2,0,0,0,0|1,0,0]=3 740 B10R1.31 CC(=O)C1=CC=C(C#N)N1 SY272610 [0,2,0,0,0,0|0,0,0]=2 741 B10R1.31 CC(=O)N1C=CC(C#N)=N1 SY096563 [0,2,0,0,0,0|1,0,1]=4 742 B10R1.31 COC1=CC=C(C(=O)O)S1 SY022425 [0,2,0,0,0,0|2,0,0]=4 743 B10R1.31 COC1=CNC(C(=O)O)=C1 SY247648 [0,2,0,0,0,0|1,0,0]=3 744 B10R1.31 N#CC1=CC=C(C(=O)O)O1 SY022127 [0,2,0,0,0,0|2,0,0]=4 745 B10R1.31 N#CC1=CC=C(C(=O)O)S1 SY194482 [0,2,0,0,0,0|2,0,0]=4 746 B10R1.31 O=C(O)C1=CC=C(CO)O1 SY062854 [0,2,0,0,0,0|2,0,0]=4 747 B10R1.31 O=CC1=CC=C(C(=O)O)O1 SY050542 [0,2,0,0,0,0|2,0,0]=4 748 B10R1.58 CC1=C(Br)SC(C(=O)O)=C1 SY133724 [0,2,0,0,0,0|2,0,0]=4 749 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 SY111495 [0,2,0,0,0,0|2,0,0]=4 750 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 SY060376 [0,2,0,0,0,0|2,0,0]=4 751 B10R1.59 CC(=O)C1=C(Br)SC(Br)=C1 SY033576 [0,2,0,0,0,0|2,0,0]=4 752 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 SY033272 [0,2,0,0,0,0|2,0,0]=4 753 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 SY049895 [0,2,0,0,0,0|2,0,0]=4 754 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 SY020864 [0,2,0,0,0,0|2,0,0]=4 755 B10R1.59 CC(=O)C1=C(Cl)SC(Cl)=C1 SY034796 [0,2,0,0,0,0|2,0,0]=4 756 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 SY139192 [0,2,0,0,0,0|1,0,0]=3 757 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 SY007537 [0,2,0,0,0,0|2,0,0]=4 758 B10R1.59 CC1=NN(C)C(C(N)=O)=C1 SY021638 [0,2,0,0,0,0|2,0,0]=4 759 B10R1.59 CN1C=C(Br)C=C1C(=O)O SY021734 [0,2,0,0,0,0|1,0,0]=3 760 B10R1.194 CC1=C(C(=O)O)SC=C1Br SY063565 [0,2,0,0,0,0|2,0,0]=4 761 B10R1.194 CC1=CC=C(C(N)=O)N1N SY273431 [0,2,0,0,0,0|1,0,0]=3 762 B10R1.194 CC1=NNC(C(=O)O)=C1C SY031874 [0,2,0,0,0,0|2,0,0]=4 763 B10R1.39 CCN1C=CC=C1C(C)=O SY032665 [0,2,0,0,0,0|0,0,0]=2 764 B10R1.39 CCN1C=NC=C1C(=O)O SY026699 [0,2,0,0,0,0|2,0,0]=4 765 B10R1.39 CCN1N=CC=C1C(=O)O SY014158 [0,2,0,0,0,0|2,0,0]=4 766 B10R1.192 CC1=C(C(=O)O)N(C)C=N1 SY026697 [0,2,0,0,0,0|2,0,0]=4 767 B10R1.192 CN1N=CC(Br)=C1C(=O)O SY032206 [0,2,0,0,0,0|2,0,0]=4 768 B10R1.192 CN1N=CC(I)=C1C(=O)O SY033485 [0,2,0,0,0,0|2,0,0]=4 769 B8R1.4 CC1=CC=CC(Br)=N1 SY001968 [0,0,1,1,0,0|2,0,0]=4 770 B8R1.4 CC1=CC=CC(F)=N1 SY014114 [0,0,1,1,0,0|2,0,0]=4 771 B8R1.4 CC1=CC=CC(I)=C1 SY002778 [0,0,1,1,0,0|2,0,0]=4 772 B8R1.4 CC1=CC=CC(I)=N1 SY104475 [0,0,1,1,0,0|2,0,0]=4 773 B8R1.4 CC1=CN=CC(N)=N1 SY021601 [0,0,1,1,0,0|2,0,0]=4 774 B8R1.4 CC1=NC(N)=CC=N1 SY024243 [0,0,1,1,0,0|2,0,0]=4 775 B8R1.4 CC1=NC(N)=NC=C1 SY007728 [0,0,1,1,0,0|2,0,0]=4 776 B8R1.4 CC1=NC(O)=CC=C1 SY009294 [0,0,1,1,0,0|2,0,0]=4 777 B8R1.4 CC1=NC=CC(N)=C1 SY003568 [0,0,1,1,0,0|2,0,0]=4 778 B8R1.4 NC1=CC(=O)NC=C1 SY020837 [0,0,1,1,0,0|1,0,1]=4 779 B8R1.4 NC1=NC(=O)NC=C1 SY001643 [0,0,1,1,0,0|2,0,0]=4 780 B8R1.4 NC1=NC(Br)=CC=C1 SY006032 [0,0,1,1,0,0|2,0,0]=4 781 B8R1.4 NC1=NC(Cl)=CC=C1 SY003744 [0,0,1,1,0,0|2,0,0]=4 782 B8R1.4 NC1=NC(F)=CC=C1 SY007863 [0,0,1,1,0,0|2,0,0]=4 783 B8R1.4 NC1=NC(I)=CC=C1 SY041721 [0,0,1,1,0,0|2,0,0]=4 784 B8R1.4 NC1=NC(O)=CC=C1 SY019866 [0,0,1,1,0,0|1,0,1]=4 785 B8R1.4 NC1=NC=CC(=O)N1 SY013450 [0,0,1,1,0,0|2,0,0]=4 786 B8R1.5 CC1=C(N)C=CN=C1 SY004399 [0,0,1,1,0,0|2,0,0]=4 787 B8R1.5 CC1=C(N)C=NC=C1 SY004420 [0,0,1,1,0,0|2,0,0]=4 788 B8R1.5 CC1=C(N)C=NC=N1 SY007134 [0,0,1,1,0,0|2,0,0]=4 789 B8R1.5 CC1=C(N)N=CC=N1 SY004895 [0,0,1,1,0,0|2,0,0]=4 790 B8R1.5 CC1=C(O)C=CC=N1 SY007645 [0,0,1,1,0,0|2,0,0]=4 791 B8R1.5 CC1=CC=CNC1=O SY020532 [0,0,1,1,0,0|2,0,0]=4 792 B8R1.5 CC1=NC=CC=C1Br SY004393 [0,0,1,1,0,0|2,0,0]=4 793 B8R1.5 CC1=NC=CC=C1Cl SY013090 [0,0,1,1,0,0|2,0,0]=4 794 B8R1.5 CC1=NC=CC=C1N SY003689 [0,0,1,1,0,0|1,0,0]=3 795 B8R1.5 NC1=C(Cl)N=CC=C1 SY005474 [0,0,1,1,0,0|2,0,0]=4 796 B8R1.5 NC1=C(I)C=CC=C1 SY005096 [0,0,1,1,0,0|1,0,1]=4 797 B8R1.5 NC1=CC=CN=C1Br SY013790 [0,0,1,1,0,0|2,0,0]=4 798 B8R1.5 NC1=CC=CN=C1F SY030938 [0,0,1,1,0,0|2,0,0]=4 799 B8R1.5 NC1=CC=CN=C1O SY008406 [0,0,1,1,0,0|1,0,1]=4 800 B8R1.5 NC1=NC=CNC1=O SY021602 [0,0,1,1,0,0|2,0,0]=4 801 B8R1.5 O=C1OC=CC=C1Br SY027771 [0,0,1,1,0,0|2,0,0]=4 802 B8R1.5 O=C1OC=CC=C1O SY114649 [0,0,1,1,0,0|2,0,0]=4 803 B8R1.18 CC1=C(N)C=C(Br)S1 SY268432 [0,0,1,1,0,0|1,1,0]=4 804 B10R2.320 O=C1CC2=CC=CC=C12 SY031738 [0,0,0,1,0,1|1,0,0]=3 805 B10R2.32 O=C1CCC2=C1C=CS2 SY056658 [0,1,0,1,0,0|2,0,0]=4 806 B10R2.32 O=C1CCC2=C1SC=C2 SY027678 [0,1,0,1,0,0|1,0,0]=3 807 B8R1.2 CNC1=CC=CN=C1 SY019910 [1,0,0,0,0,1|1,0,1]=4 808 B8R1.2 CNC1=CC=NC=C1 SY007759 [1,0,0,0,0,1|2,0,0]=4 809 B8R1.2 CNC1=NC=CC=N1 SY109149 [1,0,0,0,0,1|1,0,1]=4 810 B8R1.2 COC1=CC=CN=C1 SY024150 [1,0,0,0,0,1|1,0,1]=4 811 B8R1.2 COC1=CC=NC=C1 SY003216 [1,0,0,0,0,1|2,0,0]=4 812 B8R1.2 COC1=NN=CC=C1 SY047082 [1,0,0,0,0,1|1,0,1]=4 813 B8R1.2 CSC1=NC=CC=C1 SY015557 [1,0,0,0,0,1|1,0,1]=4 814 B8R1.2 O=CC1=CC=NN=C1 SY039203 [1,0,0,0,0,1|1,0,1]=4 815 B8R1.2 O=CC1=CN=CN=C1 SY002007 [1,0,0,0,0,1|1,0,1]=4 816 B8R1.2 O=CC1=NC=CN=C1 SY023908 [1,0,0,0,0,1|0,0,1]=3 817 B8R1.2 O=CC1=NC=NC=C1 SY024569 [1,0,0,0,0,1|0,0,1]=3 818 B8R1.2 O=NC1=CC=CC=C1 SY031930 [1,0,0,0,0,1|2,0,0]=4 819 B10R1.18 CC(=O)CC1=CC=NC=C1 SY002437 [0,0,0,0,0,2|1,0,0]=3 820 B10R1.18 CC(=O)CC1=CC=NC=C1 SY005221 [0,0,0,0,0,2|1,0,0]=3 821 B10R1.18 CC(=O)CC1=NC=CC=C1 SY002438 [0,0,0,0,0,2|0,0,1]=3 822 B10R1.18 CC(C)=CC1=CC=CC=C1 SY055240 [0,0,0,0,0,2|2,0,0]=4 823 B10R1.18 NC(=O)CC1=CC=CC=C1 SY017094 [0,0,0,0,0,2|2,0,0]=4 824 B10R1.18 NC(=O)OC1=CC=CC=C1 SY109407 [0,0,0,0,0,2|2,0,0]=4 825 B10R1.18 O=C(O)CC1=CC=CN=C1 SY001707 [0,0,0,0,0,2|1,0,1]=4 826 B10R1.18 O=C(O)CC1=CC=NC=C1 SY003595 [0,0,0,0,0,2|2,0,0]=4 827 B10R1.18 O=C(O)CC1=NC=CC=C1 SY003293 [0,0,0,0,0,2|1,0,1]=4 828 B10R1.18 O=C(O)CC1=NC=CC=N1 SY004102 [0,0,0,0,0,2|1,0,1]=4 829 B10R1.18 O=C(O)CC1=NC=CN=C1 SY034525 [0,0,0,0,0,2|1,0,1]=4 830 B10R1.66 O=C(O)C#CC1=CC=CO1 SY263805 [0,0,0,0,0,2|2,0,0]=4 831 B10R1.66 O=C(O)CCC1=CC=CS1 SY005413 [0,0,0,0,0,2|2,0,0]=4 832 B10R1.66 O=C(O)\C=C/C1=CC=CO1 SY056646 [0,0,0,0,0,2|2,0,0]=4 833 B10R1.66 O=C(O)\C=C\C1=CC=CO1 SY009542 [0,0,0,0,0,2|2,0,0]=4