0 B8R1.7 CC(=O)C1=CC=CN1 P68619 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.7 CC(=O)C1=CC=CS1 A69304 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.7 CC(=O)C1=CC=NN1 P61226 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.7 CC(=O)C1=CC=NO1 K40990 [0,0,0,0,0,0|2,1,0]=3 4 B8R1.7 CC(=O)C1=CNC=C1 A37548 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.7 CC(=O)C1=CNC=N1 A41019 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.7 CC(=O)C1=CNN=C1 P22638 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.7 CC(=O)C1=CSC=C1 A12828 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.7 CC(=O)C1=CSC=N1 T41006 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.7 CC(=O)C1=NC=CN1 K67604 [0,0,0,0,0,0|1,0,0]=1 10 B8R1.7 CC(=O)C1=NC=CS1 A22587 [0,0,0,0,0,0|0,0,0]=0 11 B8R1.7 CC(=O)C1=NOC=C1 K40989 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.7 CC(=O)N1C=CN=C1 I37940 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [0,0,0,0,0,0|0,0,4]=4 14 B8R1.7 CC(C)C1=CC=CO1 P43710 [0,0,0,0,0,0|2,1,1]=4 15 B8R1.7 CC(C)C1=NC=CN1 P67407 [0,0,0,0,0,0|2,0,1]=3 16 B8R1.7 CC(C)C1=NNC=C1 P9834 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.7 CC(C)N1C=CC=N1 P41426 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.7 C[C@@H](N)C1=CC=CS1 T43397 [0,0,0,0,0,0|2,0,1]=3 19 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [0,0,0,0,0,0|1,1,2]=4 20 B8R1.7 C[C@H](N)C1=CC=CS1 T43555 [0,0,0,0,0,0|2,0,1]=3 21 B8R1.7 C[C@H](N)C1=CNC=N1 K41398 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.7 C[C@H](N)C1=NC=CS1 T41204 [0,0,0,0,0,0|1,0,1]=2 23 B8R1.7 C[C@H](N)C1=NC=CS1 T5352 [0,0,0,0,0,0|1,0,1]=2 24 B8R1.7 N=C(N)C1=NC=CN1 I27167 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.7 N=C(N)C1=NC=CN1 I7758 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.7 N=C(N)C1=NC=CS1 T8198 [0,0,0,0,0,0|2,0,0]=2 27 B8R1.7 NC(=O)C1=COC=N1 X40074 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.7 NC(=O)C1=NC=CO1 X26086 [0,0,0,0,0,0|1,1,0]=2 29 B8R1.7 NC(=O)C1=NC=CS1 T61005 [0,0,0,0,0,0|1,0,0]=1 30 B8R1.7 NC(=O)C1=NN=CN1 T69492 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.7 NC(=O)C1=NNC=C1 P67746 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.7 NC(=S)C1=CC=CS1 T41010 [0,0,0,0,0,0|2,1,0]=3 33 B8R1.7 O=C(Cl)C1=CC=CS1 T10056 [0,0,0,0,0,0|2,0,0]=2 34 B8R1.7 O=C(O)C1=CC=CN1 P24658 [0,0,0,0,0,0|2,0,1]=3 35 B8R1.7 O=C(O)C1=CC=CO1 F38499 [0,0,0,0,0,0|2,1,0]=3 36 B8R1.7 O=C(O)C1=CC=CS1 T69312 [0,0,0,0,0,0|2,0,0]=2 37 B8R1.7 O=C(O)C1=CC=NO1 K40064 [0,0,0,0,0,0|3,1,0]=4 38 B8R1.7 O=C(O)C1=CC=NS1 T40063 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.7 O=C(O)C1=CN=CO1 O9363 [0,0,0,0,0,0|3,1,0]=4 40 B8R1.7 O=C(O)C1=CN=CS1 T2164 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.7 O=C(O)C1=CNN=N1 T38190 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.7 O=C(O)C1=COC=C1 F14351 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.7 O=C(O)C1=COC=N1 X9342 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.7 O=C(O)C1=CSC=C1 T12825 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.7 O=C(O)C1=CSC=N1 T2163 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.7 O=C(O)C1=CSN=N1 T61264 [0,0,0,0,0,0|4,0,0]=4 47 B8R1.7 O=C(O)C1=NC=CN1 I37951 [0,0,0,0,0,0|2,0,0]=2 48 B8R1.7 O=C(O)C1=NC=CS1 T9224 [0,0,0,0,0,0|1,0,0]=1 49 B8R1.7 O=C(O)C1=NNC=C1 P9459 [0,0,0,0,0,0|3,0,0]=3 50 B8R1.7 O=C(O)C1=NOC=C1 I12360 [0,0,0,0,0,0|3,0,0]=3 51 B8R1.7 O=C(O)C1=NON=C1 X39804 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.7 O=C(O)C1=NSC=C1 I6110 [0,0,0,0,0,0|3,0,0]=3 53 B8R1.7 O=C(O)C1CC=CC1 C11537 [0,0,0,0,0,0|3,0,1]=4 54 B8R1.7 O=C([O-])C1=CC=CS1 C2751 [0,0,0,0,0,0|2,0,0]=2 55 B8R1.7 O=C([O-])C1=CC=CS1 C41403 [0,0,0,0,0,0|2,0,0]=2 56 B8R1.7 O=C([O-])C1=NC=CO1 S40296 [0,0,0,0,0,0|1,1,0]=2 57 B8R1.7 O=[N+]([O-])C1=NNC=C1 N22734 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.7 O=[N+]([O-])C1=NNC=N1 N39763 [0,0,0,0,0,0|4,0,0]=4 59 B8R1.7 O=[N+]([O-])N1C=CC=N1 N39824 [0,0,0,0,0,0|4,0,0]=4 60 B8R1.7 OB(O)C1=NC=CN1 I36795 [0,0,0,0,0,0|3,0,1]=4 61 B7R1.1 BrCC1=NC=CN1 B40117 [1,0,0,0,0,0|2,0,1]=4 62 B7R1.1 C#CC1=CC=CS1 E42371 [1,0,0,0,0,0|1,0,2]=4 63 B7R1.1 C=CC1=CC=CS1 V38168 [1,0,0,0,0,0|1,0,1]=3 64 B7R1.1 C=CC1=NC=CS1 V41009 [1,0,0,0,0,0|0,0,1]=2 65 B7R1.1 CCC1=NC=CN1 E68629 [1,0,0,0,0,0|1,0,1]=3 66 B7R1.1 CCC1=NN=CO1 E37555 [1,0,0,0,0,0|1,1,1]=4 67 B7R1.1 CNC1=NC=CS1 M67793 [1,0,0,0,0,0|1,0,0]=2 68 B7R1.1 CNC1=NC=NS1 M32356 [1,0,0,0,0,0|2,0,0]=3 69 B7R1.1 COC1=CC=CS1 M41123 [1,0,0,0,0,0|2,0,0]=3 70 B7R1.1 COC1=NC=CS1 M2608 [1,0,0,0,0,0|1,0,0]=2 71 B7R1.1 CSC1=NC=CO1 M40164 [1,0,0,0,0,0|1,1,0]=3 72 B7R1.1 ClCC1=NC=CO1 C40107 [1,0,0,0,0,0|1,1,1]=4 73 B7R1.1 N#CC1=CC=CS1 T40685 [1,0,0,0,0,0|2,0,1]=4 74 B7R1.1 N#CC1=NC=CN1 I1797 [1,0,0,0,0,0|2,0,1]=4 75 B7R1.1 N#CC1=NC=CN1 I7356 [1,0,0,0,0,0|2,0,1]=4 76 B7R1.1 N#CC1=NC=CS1 C15601 [1,0,0,0,0,0|1,0,1]=3 77 B7R1.1 NCC1=CC=CS1 A12813 [1,0,0,0,0,0|2,0,1]=4 78 B7R1.1 NCC1=NC=CN1 A14237 [1,0,0,0,0,0|2,0,1]=4 79 B7R1.1 NCC1=NC=CN1 K40331 [1,0,0,0,0,0|2,0,1]=4 80 B7R1.1 NCC1=NC=CS1 A11223 [1,0,0,0,0,0|1,0,1]=3 81 B7R1.1 NCC1=NC=CS1 T11224 [1,0,0,0,0,0|1,0,1]=3 82 B7R1.1 NCC1=NC=CS1 T24256 [1,0,0,0,0,0|1,0,1]=3 83 B7R1.1 NNC1=NC=CS1 H39914 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.1 O=CC1=CC=CN1 P64891 [1,0,0,0,0,0|1,0,1]=3 85 B7R1.1 O=CC1=CC=CS1 T68614 [1,0,0,0,0,0|1,0,0]=2 86 B7R1.1 O=CC1=CC=NO1 K40060 [1,0,0,0,0,0|2,1,0]=4 87 B7R1.1 O=CC1=CN=CO1 X11928 [1,0,0,0,0,0|2,1,0]=4 88 B7R1.1 O=CC1=CN=CS1 T2161 [1,0,0,0,0,0|2,0,0]=3 89 B7R1.1 O=CC1=CNC=C1 P25022 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.1 O=CC1=COC=C1 F65465 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.1 O=CC1=CSC=C1 T12697 [1,0,0,0,0,0|3,0,0]=4 92 B7R1.1 O=CC1=CSC=N1 T2159 [1,0,0,0,0,0|2,0,0]=3 93 B7R1.1 O=CC1=NC=CN1 F2135 [1,0,0,0,0,0|1,0,0]=2 94 B7R1.1 O=CC1=NC=CS1 T2877 [1,0,0,0,0,0|0,0,0]=1 95 B7R1.1 O=CC1=NNC=C1 P23454 [1,0,0,0,0,0|2,0,0]=3 96 B7R1.1 O=CC1=NOC=C1 I0114 [1,0,0,0,0,0|2,0,0]=3 97 B7R1.1 OCC1=CC=CS1 T12815 [1,0,0,0,0,0|1,0,2]=4 98 B7R1.1 OCC1=NC=CN1 I38716 [1,0,0,0,0,0|1,0,2]=4 99 B7R1.1 OCC1=NC=CO1 X14019 [1,0,0,0,0,0|0,1,2]=4 100 B7R1.1 OCC1=NC=CS1 H3028 [1,0,0,0,0,0|0,0,2]=3 101 B9R1.11 CCC(=O)C1=NC=CS1 T43174 [0,1,0,0,0,0|0,0,0]=1 102 B9R1.11 COC(=O)C1=CC=CN1 M11015 [0,1,0,0,0,0|1,0,1]=3 103 B9R1.11 COC(=O)C1=CC=CO1 M39270 [0,1,0,0,0,0|1,1,0]=3 104 B9R1.11 COC(=O)C1=CC=CS1 M42941 [0,1,0,0,0,0|1,0,0]=2 105 B9R1.11 COC(=O)C1=CC=NN1 M12748 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.11 COC(=O)C1=CN=CN1 M14078 [0,1,0,0,0,0|2,0,1]=4 107 B9R1.11 COC(=O)C1=CN=CN1 M41348 [0,1,0,0,0,0|2,0,1]=4 108 B9R1.11 COC(=O)C1=CN=CO1 M40997 [0,1,0,0,0,0|2,1,0]=4 109 B9R1.11 COC(=O)C1=CN=CS1 M2158 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.11 COC(=O)C1=CNC=C1 M37783 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.11 COC(=O)C1=CNN=N1 M40140 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.11 COC(=O)C1=CSC=C1 M12826 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.11 COC(=O)C1=CSC=N1 M2932 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.11 COC(=O)C1=NC=CN1 M11275 [0,1,0,0,0,0|1,0,0]=2 115 B9R1.11 COC(=O)C1=NC=CO1 M40998 [0,1,0,0,0,0|0,1,0]=2 116 B9R1.11 COC(=O)C1=NC=CS1 M40994 [0,1,0,0,0,0|0,0,0]=1 117 B9R1.11 COC(=O)C1=NNC=N1 M39151 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.11 COC(=O)C1=NNN=C1 M40141 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.11 COC(=O)C1CC=CC1 M13554 [0,1,0,0,0,0|2,0,1]=4 120 B9R1.11 NNC(=O)C1=CC=CO1 F66138 [0,1,0,0,0,0|2,1,0]=4 121 B9R1.11 N[C@@H](CO)C1=CC=CS1 A43554 [0,1,0,0,0,0|2,0,1]=4 122 B9R1.11 O=C(CBr)C1=CC=CS1 B42721 [0,1,0,0,0,0|1,0,0]=2 123 B9R1.11 O=C(CBr)C1=NC=CS1 B40844 [0,1,0,0,0,0|0,0,0]=1 124 B9R1.19 CC(C)(C)C1=NC=CN1 D1577 [0,1,0,0,0,0|2,0,1]=4 125 B9R1.19 CC(C)(O)C1=NC=CS1 D5833 [0,1,0,0,0,0|0,0,2]=3 126 B9R1.19 CS(=O)(=O)C1=CC=CS1 M12814 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.19 C[Si](C)(C)C1=NC=CS1 T2744 [0,1,0,0,0,0|1,1,0]=3 128 B9R1.19 NS(=O)(=O)C1=CC=CS1 T40161 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 T2651 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.19 O=S(=O)(O)C1=CC=CS1 T40111 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.35 CC(=O)C1=CC(Br)=CS1 B13699 [0,1,0,0,0,0|1,0,0]=2 132 B9R1.35 CC(=O)C1=CC(Cl)=CS1 A12844 [0,1,0,0,0,0|1,0,0]=2 133 B9R1.35 CC(=O)C1=CC(N)=NN1 A11043 [0,1,0,0,0,0|2,0,1]=4 134 B9R1.35 CC(=O)C1=CC=C(Br)S1 A12839 [0,1,0,0,0,0|1,0,0]=2 135 B9R1.35 CC(=O)C1=CC=C(C)S1 A46277 [0,1,0,0,0,0|1,0,0]=2 136 B9R1.35 CC(=O)C1=CN=C(Br)S1 B32437 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.35 CC(=O)C1=CN=C(N)S1 A41052 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.35 CC(=O)C1=CNC(C)=C1 M46389 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.35 CC(=O)C1=CSC(Cl)=C1 A1568 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.35 CC(=O)C1=CSC(N)=N1 A41051 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.35 CC(=O)C1=NC(C)=CO1 M43141 [0,1,0,0,0,0|0,1,0]=2 142 B9R1.35 CC(=O)C1=NC=C(Br)S1 B13063 [0,1,0,0,0,0|0,0,0]=1 143 B9R1.35 CC(=O)C1=NC=C(Cl)S1 C13062 [0,1,0,0,0,0|0,0,0]=1 144 B9R1.35 CC(=O)C1=NN(C)C=C1 A13629 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.35 CC(=O)C1=NNC(C)=C1 M62065 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.35 CC(=O)C1=NOC(C)=C1 M43142 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.35 CC(=O)N1C=C(I)C=N1 I30035 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.35 CC(=O)N1C=CC(=O)N1 A41035 [0,1,0,0,0,0|2,0,1]=4 149 B9R1.35 CC(C)C1=NC(Br)=CS1 B2063 [0,1,0,0,0,0|1,0,1]=3 150 B9R1.35 CC(C)C1=NC=C(Br)S1 B64788 [0,1,0,0,0,0|1,0,1]=3 151 B9R1.35 CC(C)C1=NN=C(Br)S1 B64862 [0,1,0,0,0,0|2,0,1]=4 152 B9R1.35 CC(C)C1=NN=C(N)S1 A41253 [0,1,0,0,0,0|2,0,1]=4 153 B9R1.35 CC1=CC(C(=O)O)=NN1 M7890 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.35 CC1=CC(C(=O)O)=NO1 M27266 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.35 CC1=CC(C(N)=O)=NO1 M67790 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.35 CC1=CC=C(C(=O)O)N1 M36732 [0,1,0,0,0,0|2,0,1]=4 157 B9R1.35 CC1=CC=C(C(=O)O)O1 M38051 [0,1,0,0,0,0|2,1,0]=4 158 B9R1.35 CC1=CC=C(C(=O)O)S1 M42943 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.35 CC1=CN=C(C(=O)O)S1 M40996 [0,1,0,0,0,0|1,0,0]=2 160 B9R1.35 CC1=CN=C(C(=O)[O-])O1 S27747 [0,1,0,0,0,0|1,1,0]=3 161 B9R1.35 CC1=CSC(C(=O)O)=N1 M14993 [0,1,0,0,0,0|1,0,0]=2 162 B9R1.35 CC1=CSC(C(C)C)=N1 P43783 [0,1,0,0,0,0|1,0,1]=3 163 B9R1.35 CC1=NC(C(=O)O)=CN1 M19958 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.35 CC1=NC(C(=O)O)=CO1 M62066 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.35 CC1=NC(C(=O)O)=CO1 M7132 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.35 CC1=NC(C(=O)O)=CS1 M3047 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.35 CC1=NC(C(N)=O)=CS1 M41050 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.35 CC1=NC=C(C(=O)O)S1 M5426 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.35 CC1=NN=C(C(=O)[O-])O1 M15652 [0,1,0,0,0,0|2,1,0]=4 170 B9R1.35 CC1=NN=C(C(=O)[O-])S1 L40037 [0,1,0,0,0,0|2,0,0]=3 171 B9R1.35 CN1C=CC(C(=O)O)=N1 M9460 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.35 CN1C=CC(C(N)=O)=N1 M41144 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.35 CN1C=NC(C(=O)O)=C1 M10536 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.35 CN1C=NC(C(N)=O)=C1 M41145 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.35 FC(F)C1=NC=C(Br)S1 B13058 [0,1,0,0,0,0|2,0,1]=4 176 B9R1.35 NC(=O)C1=CC(Br)=CN1 B40920 [0,1,0,0,0,0|2,0,1]=4 177 B9R1.35 NC(=O)C1=CC(Br)=CO1 B40829 [0,1,0,0,0,0|2,1,0]=4 178 B9R1.35 NC(=O)C1=CC(Br)=CS1 B40841 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.35 NC(=O)C1=CC=C(Br)N1 B8083 [0,1,0,0,0,0|2,0,1]=4 180 B9R1.35 NC(=O)C1=CC=C(Br)S1 B68782 [0,1,0,0,0,0|2,0,0]=3 181 B9R1.35 NC(=O)C1=CN=C(Br)S1 B40041 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.35 NC(=O)C1=CSC(Br)=N1 B61895 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.35 NC(=O)C1=CSC(N)=N1 A40145 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.35 NC(=O)C1=NNC(N)=N1 A61384 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.35 NC1=CC(C(=O)O)=NN1 A13351 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.35 NC1=CN=C(C(=O)O)S1 A14284 [0,1,0,0,0,0|1,0,0]=2 187 B9R1.35 NC1=CN=C(C(=O)O)S1 A7363 [0,1,0,0,0,0|1,0,0]=2 188 B9R1.35 NC1=CNC(C(=O)O)=N1 A20425 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.35 NC1=NC(C(=O)O)=CO1 A11266 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.35 NC1=NC(C(=O)O)=CS1 A2115 [0,1,0,0,0,0|3,0,0]=4 191 B9R1.35 NC1=NC(C(=O)O)=CS1 A4882 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.35 NC1=NC=C(C(=O)O)S1 A3492 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.35 NC1=NN=C(C(=O)O)N1 A39136 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 C40558 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.35 O=C(O)C1=CC(Br)=CN1 B40831 [0,1,0,0,0,0|2,0,1]=4 196 B9R1.35 O=C(O)C1=CC(Br)=CO1 B13536 [0,1,0,0,0,0|2,1,0]=4 197 B9R1.35 O=C(O)C1=CC(Br)=CS1 B3026 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.35 O=C(O)C1=CC(Cl)=CS1 C12488 [0,1,0,0,0,0|2,0,0]=3 199 B9R1.35 O=C(O)C1=CC=C(Br)O1 B4712 [0,1,0,0,0,0|2,1,0]=4 200 B9R1.35 O=C(O)C1=CC=C(Br)S1 B12755 [0,1,0,0,0,0|2,0,0]=3 201 B9R1.35 O=C(O)C1=CC=C(Cl)O1 C40690 [0,1,0,0,0,0|2,1,0]=4 202 B9R1.35 O=C(O)C1=CC=C(Cl)S1 C10492 [0,1,0,0,0,0|2,0,0]=3 203 B9R1.35 O=C(O)C1=CC=C(F)S1 F7718 [0,1,0,0,0,0|2,0,0]=3 204 B9R1.35 O=C(O)C1=CC=C(I)S1 K40688 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.35 O=C(O)C1=CN=C(Br)S1 B2125 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.35 O=C(O)C1=CN=C(Cl)S1 C2765 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.35 O=C(O)C1=COC(Br)=N1 B15227 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.35 O=C(O)C1=COC(Cl)=N1 C15228 [0,1,0,0,0,0|3,0,0]=4 209 B9R1.35 O=C(O)C1=CSC(Br)=N1 B2124 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.35 O=C(O)C1=CSC(Cl)=N1 C2862 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.35 O=C(O)C1=NC(Br)=CS1 B7895 [0,1,0,0,0,0|1,0,0]=2 212 B9R1.35 O=C(O)C1=NC=C(Br)S1 B10955 [0,1,0,0,0,0|1,0,0]=2 213 B9R1.35 O=C(O)C1=NC=C(Cl)S1 C13056 [0,1,0,0,0,0|1,0,0]=2 214 B9R1.35 O=C(O)C1=NNC(Br)=C1 B18673 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.35 O=C(O)C1=NNC(Cl)=C1 C26046 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.35 O=C(O)C1=NNC(O)=C1 H40078 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.35 O=[N+]([O-])C1=CC(Br)=CS1 B40013 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.35 O=[N+]([O-])C1=CC=C(Br)S1 B40011 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.35 O=[N+]([O-])C1=NC=C(Br)S1 B39896 [0,1,0,0,0,0|2,0,0]=3 220 B9R1.41 CC(=O)C1=C(C)N=CS1 M63978 [0,1,0,0,0,0|2,0,0]=3 221 B9R1.41 CC(=O)C1=C(C)SC=N1 M43176 [0,1,0,0,0,0|2,0,0]=3 222 B9R1.41 CC(=O)C1=CN=CN1C M43213 [0,1,0,0,0,0|2,0,1]=4 223 B9R1.41 CC(=O)C1=CNC=C1C M67633 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.41 CC(=O)C1=NC=CN1C A1591 [0,1,0,0,0,0|1,0,0]=2 225 B9R1.41 CC1=C(C(=O)O)N=CO1 M3158 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.41 CC1=C(C(=O)O)N=CS1 M3491 [0,1,0,0,0,0|3,0,0]=4 227 B9R1.41 CC1=C(C(=O)O)NC=C1 M43146 [0,1,0,0,0,0|2,0,1]=4 228 B9R1.41 CC1=C(C(=O)O)OC=C1 M42945 [0,1,0,0,0,0|2,1,0]=4 229 B9R1.41 CC1=C(C(=O)O)SC=C1 M42942 [0,1,0,0,0,0|2,0,0]=3 230 B9R1.41 CC1=C(C(=O)O)SC=N1 M67956 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.41 CC1=CNN=C1C(=O)O M41036 [0,1,0,0,0,0|3,0,0]=4 232 B9R1.41 CN1C=CC=C1C(=O)O M68591 [0,1,0,0,0,0|2,0,1]=4 233 B9R1.41 CN1C=CN=C1C(=N)N M0674 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.41 CN1C=CN=C1C(=O)O M12222 [0,1,0,0,0,0|2,0,0]=3 235 B9R1.41 NC(=O)C1=C(N)NC=N1 A67139 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.41 NC(=O)C1=C(N)NC=N1 A67250 [0,1,0,0,0,0|3,0,0]=4 237 B9R1.41 NC(=O)C1=C(N)SC=N1 A40146 [0,1,0,0,0,0|3,0,0]=4 238 B9R1.41 NC(=O)C1=CC=CN1N A5122 [0,1,0,0,0,0|2,0,1]=4 239 B9R1.41 NC(=O)C1=NNC=C1Br B9734 [0,1,0,0,0,0|3,0,0]=4 240 B9R1.41 NC1=CNN=C1C(=O)O A40139 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.41 O=C(O)C1=C(Br)C=CO1 B40689 [0,1,0,0,0,0|2,1,0]=4 242 B9R1.41 O=C(O)C1=C(Br)C=CS1 B10327 [0,1,0,0,0,0|2,0,0]=3 243 B9R1.41 O=C(O)C1=C(Br)OC=N1 B37246 [0,1,0,0,0,0|3,0,0]=4 244 B9R1.41 O=C(O)C1=C(Br)SC=N1 B3211 [0,1,0,0,0,0|3,0,0]=4 245 B9R1.41 O=C(O)C1=C(Cl)C=CS1 C12482 [0,1,0,0,0,0|2,0,0]=3 246 B9R1.41 O=C(O)C1=C(Cl)C=NS1 C40015 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.41 O=C(O)C1=C(F)C=CS1 F40687 [0,1,0,0,0,0|2,0,0]=3 248 B9R1.41 O=C(O)C1=C(O)C=CS1 H40863 [0,1,0,0,0,0|2,0,0]=3 249 B9R1.41 O=C(O)C1=NNC=C1Br B3819 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.41 O=[N+]([O-])C1=C(Br)C=CS1 B40012 [0,1,0,0,0,0|3,0,0]=4 251 B9R2.2 C1=CNC(C2CC2)=N1 C1576 [0,0,0,1,0,0|2,0,1]=4 252 B9R1.6 CC(=O)C1=CN=CN=C1 A7446 [0,0,0,0,0,1|2,0,0]=3 253 B9R1.6 CC(=O)C1=CN=NC=C1 A10222 [0,0,0,0,0,1|2,0,0]=3 254 B9R1.6 CC(=O)C1=NC=CC=N1 A8017 [0,0,0,0,0,1|1,0,0]=2 255 B9R1.6 CC(=O)C1=NC=CN=C1 A39262 [0,0,0,0,0,1|1,0,0]=2 256 B9R1.6 CC(=O)C1=NC=NC=C1 A12246 [0,0,0,0,0,1|1,0,0]=2 257 B9R1.6 CC(=O)C1=NN=CC=C1 P0157 [0,0,0,0,0,1|1,0,0]=2 258 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [0,0,0,0,0,1|2,0,1]=4 259 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [0,0,0,0,0,1|2,0,1]=4 260 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [0,0,0,0,0,1|2,0,1]=4 261 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [0,0,0,0,0,1|2,0,1]=4 262 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [0,0,0,0,0,1|1,0,2]=4 263 B9R1.6 C[C@H](Br)C1=NC=CN=C1 B42963 [0,0,0,0,0,1|2,0,1]=4 264 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [0,0,0,0,0,1|2,0,1]=4 265 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [0,0,0,0,0,1|2,0,1]=4 266 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [0,0,0,0,0,1|2,0,1]=4 267 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [0,0,0,0,0,1|2,0,1]=4 268 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [0,0,0,0,0,1|2,0,1]=4 269 B9R1.6 C[C@H](N)C1=NC=CC=N1 P36807 [0,0,0,0,0,1|2,0,1]=4 270 B9R1.6 C[C@H](N)C1=NC=CN=C1 P14583 [0,0,0,0,0,1|2,0,1]=4 271 B9R1.6 C[C@H](N)C1=NC=NC=C1 A12259 [0,0,0,0,0,1|2,0,1]=4 272 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [0,0,0,0,0,1|1,0,2]=4 273 B9R1.6 C[C@H](O)C1=NC=CN=C1 P43187 [0,0,0,0,0,1|1,0,2]=4 274 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [0,0,0,0,0,1|3,0,0]=4 275 B9R1.6 C[S@](=O)C1=NC=CC=C1 M43172 [0,0,0,0,0,1|2,0,0]=3 276 B9R1.6 C[S@](=O)C1=NC=CC=N1 M41047 [0,0,0,0,0,1|2,0,0]=3 277 B9R1.6 N=C(N)C1=CC=CN=C1 N43530 [0,0,0,0,0,1|3,0,0]=4 278 B9R1.6 N=C(N)C1=NC=CC=C1 A3829 [0,0,0,0,0,1|3,0,0]=4 279 B9R1.6 N=C(N)C1=NC=CC=C1 P43087 [0,0,0,0,0,1|3,0,0]=4 280 B9R1.6 N=C(N)C1=NC=CC=N1 A32287 [0,0,0,0,0,1|3,0,0]=4 281 B9R1.6 N=C(N)C1=NC=CC=N1 P41095 [0,0,0,0,0,1|3,0,0]=4 282 B9R1.6 N=C(N)C1=NC=CC=N1 P43594 [0,0,0,0,0,1|3,0,0]=4 283 B9R1.6 N=C(N)C1=NC=CN=C1 P60819 [0,0,0,0,0,1|3,0,0]=4 284 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [0,0,0,0,0,1|3,0,0]=4 285 B9R1.6 NC(=O)C1=NC=CC=C1 P60877 [0,0,0,0,0,1|2,0,0]=3 286 B9R1.6 NC(=O)C1=NC=NC=C1 P40959 [0,0,0,0,0,1|2,0,0]=3 287 B9R1.6 O=C(Cl)C1=CC=NC=C1 N39246 [0,0,0,0,0,1|3,0,0]=4 288 B9R1.6 O=C(Cl)C1=CN=CN=C1 P0798 [0,0,0,0,0,1|3,0,0]=4 289 B9R1.6 O=C(Cl)C1=NC=CC=C1 P42299 [0,0,0,0,0,1|2,0,0]=3 290 B9R1.6 O=C(O)C1=CN=CN=C1 P2410 [0,0,0,0,0,1|3,0,0]=4 291 B9R1.6 O=C(O)C1=CN=NC=C1 P3453 [0,0,0,0,0,1|3,0,0]=4 292 B9R1.6 O=C(O)C1=NC=CC=C1 P62145 [0,0,0,0,0,1|2,0,0]=3 293 B9R1.6 O=C(O)C1=NC=CC=N1 P5589 [0,0,0,0,0,1|2,0,0]=3 294 B9R1.6 O=C(O)C1=NC=CN=C1 P2716 [0,0,0,0,0,1|2,0,0]=3 295 B9R1.6 O=C(O)C1=NC=NC=C1 P4579 [0,0,0,0,0,1|2,0,0]=3 296 B9R1.6 O=C(O)C1=NN=CC=C1 P3149 [0,0,0,0,0,1|2,0,0]=3 297 B9R1.6 O=C([O-])C1=NN=CC=N1 T61631 [0,0,0,0,0,1|2,0,0]=3 298 B9R1.13 CC(=O)NC1=CSC=C1 T43173 [0,0,0,0,0,1|3,0,0]=4 299 B9R1.13 O=C(Cl)CC1=CC=CS1 T39261 [0,0,0,0,0,1|2,0,0]=3 300 B9R1.13 O=C(O)CC1=CC=CO1 F42944 [0,0,0,0,0,1|2,1,0]=4 301 B9R1.13 O=C(O)CC1=CC=CS1 T12816 [0,0,0,0,0,1|2,0,0]=3 302 B9R1.13 O=C(O)CC1=NC=CN1 I38240 [0,0,0,0,0,1|2,0,0]=3 303 B9R1.13 O=C(O)CC1=NC=CS1 T15370 [0,0,0,0,0,1|1,0,0]=2 304 B9R1.13 O=C(O)CC1=NC=NN1 H11339 [0,0,0,0,0,1|3,0,0]=4 305 B9R1.13 O=C(O)CC1=NNC=C1 P41346 [0,0,0,0,0,1|3,0,0]=4 306 B9R1.13 O=C(O)CN1C=CC=N1 P41032 [0,0,0,0,0,1|3,0,0]=4 307 B9R1.13 O=C(O)CN1N=CC=N1 T40138 [0,0,0,0,0,1|3,0,0]=4 308 B6R0.4 C=C\C=C/C(=O)O P41118 [1,0,1,0,0,0|2,0,0]=4 309 B6R0.4 COC=CC(C)=O M41222 [1,0,1,0,0,0|2,0,0]=4 310 B6R1.2 BrC1=CC=CS1 B69329 [2,0,0,0,0,0|2,0,0]=4 311 B6R1.2 BrC1=NC=CN1 B2807 [2,0,0,0,0,0|2,0,0]=4 312 B6R1.2 BrC1=NC=CS1 B2607 [2,0,0,0,0,0|1,0,0]=3 313 B6R1.2 BrC1=NC=NS1 B38787 [2,0,0,0,0,0|2,0,0]=4 314 B6R1.2 BrC1=NN=CS1 B11248 [2,0,0,0,0,0|2,0,0]=4 315 B6R1.2 CC1=CC=CN1 M37933 [2,0,0,0,0,0|1,0,1]=4 316 B6R1.2 CC1=CC=CS1 M39179 [2,0,0,0,0,0|1,0,0]=3 317 B6R1.2 CC1=CN=CS1 M40166 [2,0,0,0,0,0|2,0,0]=4 318 B6R1.2 CC1=COC=N1 M13405 [2,0,0,0,0,0|2,0,0]=4 319 B6R1.2 CC1=CSC=N1 M24933 [2,0,0,0,0,0|2,0,0]=4 320 B6R1.2 CC1=NC=CS1 M40165 [2,0,0,0,0,0|0,0,0]=2 321 B6R1.2 CC1=NN=CN1 M15832 [2,0,0,0,0,0|2,0,0]=4 322 B6R1.2 CC1=NN=CO1 M32022 [2,0,0,0,0,0|1,1,0]=4 323 B6R1.2 CC1=NNC=C1 M36663 [2,0,0,0,0,0|2,0,0]=4 324 B6R1.2 CC1=NOC=C1 M40157 [2,0,0,0,0,0|2,0,0]=4 325 B6R1.2 CN1C=CC=N1 M12066 [2,0,0,0,0,0|2,0,0]=4 326 B6R1.2 ClC1=NC=CN1 C38255 [2,0,0,0,0,0|2,0,0]=4 327 B6R1.2 ClC1=NC=CS1 C2694 [2,0,0,0,0,0|1,0,0]=3 328 B6R1.2 ClC1=NC=NS1 C39789 [2,0,0,0,0,0|2,0,0]=4 329 B6R1.2 IC1=CC=CS1 K39149 [2,0,0,0,0,0|2,0,0]=4 330 B6R1.2 IC1=NC=CO1 I11270 [2,0,0,0,0,0|1,1,0]=4 331 B6R1.2 NC1=NC=CN1 A28762 [2,0,0,0,0,0|2,0,0]=4 332 B6R1.2 NC1=NC=CN1 A39803 [2,0,0,0,0,0|2,0,0]=4 333 B6R1.2 NC1=NC=CO1 O5740 [2,0,0,0,0,0|1,1,0]=4 334 B6R1.2 NC1=NC=CS1 T39140 [2,0,0,0,0,0|1,0,0]=3 335 B6R1.2 NC1=NC=NS1 T39794 [2,0,0,0,0,0|2,0,0]=4 336 B6R1.2 NC1=NC=NS1 T39799 [2,0,0,0,0,0|2,0,0]=4 337 B6R1.2 NC1=NC=NS1 T61256 [2,0,0,0,0,0|2,0,0]=4 338 B6R1.2 NC1=NN=CS1 T69243 [2,0,0,0,0,0|2,0,0]=4 339 B6R1.2 O=C1CC=CC1 C19712 [2,0,0,0,0,0|2,0,0]=4 340 B6R1.2 O=C1NC=CN1 K39835 [2,0,0,0,0,0|1,0,1]=4 341 B6R1.2 O=C1NC=CO1 X39828 [2,0,0,0,0,0|0,1,1]=4 342 B6R1.2 OC1=NC=CS1 H39829 [2,0,0,0,0,0|0,0,1]=3 343 B8R1.1 C#CC1=NC(C)=CS1 E42681 [1,1,0,0,0,0|0,0,2]=4 344 B8R1.1 CC1=CC(C=O)=NN1 M41030 [1,1,0,0,0,0|2,0,0]=4 345 B8R1.1 CC1=CC=C(C=O)N1 M43134 [1,1,0,0,0,0|1,0,1]=4 346 B8R1.1 CC1=CC=C(C=O)S1 M39272 [1,1,0,0,0,0|1,0,0]=3 347 B8R1.1 CC1=CN=C(C=O)S1 M19270 [1,1,0,0,0,0|0,0,0]=2 348 B8R1.1 CC1=CN=C(CO)S1 M41173 [1,1,0,0,0,0|0,0,2]=4 349 B8R1.1 CC1=COC(C=O)=C1 M13538 [1,1,0,0,0,0|1,1,0]=4 350 B8R1.1 CC1=COC(C=O)=N1 M12937 [1,1,0,0,0,0|0,1,0]=3 351 B8R1.1 CC1=CSC(C#N)=N1 M8139 [1,1,0,0,0,0|1,0,1]=4 352 B8R1.1 CC1=CSC(C=O)=C1 M42959 [1,1,0,0,0,0|1,0,0]=3 353 B8R1.1 CC1=CSC(C=O)=N1 M14992 [1,1,0,0,0,0|0,0,0]=2 354 B8R1.1 CC1=CSC(CN)=N1 M64512 [1,1,0,0,0,0|1,0,1]=4 355 B8R1.1 CC1=NC(C=O)=CO1 M3278 [1,1,0,0,0,0|2,0,0]=4 356 B8R1.1 CC1=NC(C=O)=CS1 F2075 [1,1,0,0,0,0|2,0,0]=4 357 B8R1.1 CC1=NC(C=O)=NO1 M32392 [1,1,0,0,0,0|2,0,0]=4 358 B8R1.1 CC1=NC=C(C=O)S1 F2897 [1,1,0,0,0,0|2,0,0]=4 359 B8R1.1 CC1=NN=C(C=O)O1 M36607 [1,1,0,0,0,0|1,1,0]=4 360 B8R1.1 CC1=NOC(C=O)=N1 M36862 [1,1,0,0,0,0|1,1,0]=4 361 B8R1.1 CCC1=CC=C(C)S1 E43745 [1,1,0,0,0,0|1,0,1]=4 362 B8R1.1 CCC1=NC(C)=CS1 E43395 [1,1,0,0,0,0|0,0,1]=3 363 B8R1.1 CN1C=CC(C=O)=N1 M22764 [1,1,0,0,0,0|2,0,0]=4 364 B8R1.1 CN1C=NC(C=O)=C1 M11287 [1,1,0,0,0,0|2,0,0]=4 365 B8R1.1 CNC1=NN=C(Br)S1 B36789 [1,1,0,0,0,0|2,0,0]=4 366 B8R1.1 COC1=NC(Br)=CS1 B2259 [1,1,0,0,0,0|1,0,0]=3 367 B8R1.1 COC1=NC=C(Br)S1 B2563 [1,1,0,0,0,0|1,0,0]=3 368 B8R1.1 CSC1=NC(Br)=CS1 T2262 [1,1,0,0,0,0|1,0,0]=3 369 B8R1.1 N#CC1=NC(Br)=CS1 B13694 [1,1,0,0,0,0|1,0,1]=4 370 B8R1.1 N#CC1=NC(Cl)=CS1 C7757 [1,1,0,0,0,0|1,0,1]=4 371 B8R1.1 N#CC1=NC=C(Br)S1 B13059 [1,1,0,0,0,0|1,0,1]=4 372 B8R1.1 N#CC1=NC=C(Cl)S1 C13064 [1,1,0,0,0,0|1,0,1]=4 373 B8R1.1 NC1=NC=C(C=O)S1 A2114 [1,1,0,0,0,0|2,0,0]=4 374 B8R1.1 NC1=NC=C(C=O)S1 A40321 [1,1,0,0,0,0|2,0,0]=4 375 B8R1.1 NCC1=NC=C(Br)S1 B10574 [1,1,0,0,0,0|1,0,1]=4 376 B8R1.1 NCC1=NC=C(Br)S1 B13057 [1,1,0,0,0,0|1,0,1]=4 377 B8R1.1 NCC1=NC=C(Cl)S1 C13932 [1,1,0,0,0,0|1,0,1]=4 378 B8R1.1 O=CC1=CC(Br)=CN1 B38751 [1,1,0,0,0,0|1,0,1]=4 379 B8R1.1 O=CC1=CC(Br)=CO1 B13537 [1,1,0,0,0,0|1,1,0]=4 380 B8R1.1 O=CC1=CC(Br)=CS1 B12758 [1,1,0,0,0,0|1,0,0]=3 381 B8R1.1 O=CC1=CC(Cl)=CN1 C14574 [1,1,0,0,0,0|1,0,1]=4 382 B8R1.1 O=CC1=CC(Cl)=CS1 C12489 [1,1,0,0,0,0|1,0,0]=3 383 B8R1.1 O=CC1=CC(I)=CN1 K40861 [1,1,0,0,0,0|1,0,1]=4 384 B8R1.1 O=CC1=CC(I)=CS1 K40696 [1,1,0,0,0,0|1,0,0]=3 385 B8R1.1 O=CC1=CC=C(Br)N1 B67724 [1,1,0,0,0,0|1,0,1]=4 386 B8R1.1 O=CC1=CC=C(Br)O1 B67849 [1,1,0,0,0,0|1,1,0]=4 387 B8R1.1 O=CC1=CC=C(Br)S1 B10476 [1,1,0,0,0,0|1,0,0]=3 388 B8R1.1 O=CC1=CC=C(Cl)O1 C38278 [1,1,0,0,0,0|1,1,0]=4 389 B8R1.1 O=CC1=CC=C(Cl)S1 C7717 [1,1,0,0,0,0|1,0,0]=3 390 B8R1.1 O=CC1=CN=C(Br)S1 B2119 [1,1,0,0,0,0|2,0,0]=4 391 B8R1.1 O=CC1=CN=C(Cl)S1 C5784 [1,1,0,0,0,0|2,0,0]=4 392 B8R1.1 O=CC1=CSC(Br)=N1 B2118 [1,1,0,0,0,0|2,0,0]=4 393 B8R1.1 O=CC1=CSC(Cl)=N1 C2764 [1,1,0,0,0,0|2,0,0]=4 394 B8R1.1 O=CC1=NC(Br)=CS1 B2070 [1,1,0,0,0,0|0,0,0]=2 395 B8R1.1 O=CC1=NC=C(Br)S1 B2465 [1,1,0,0,0,0|0,0,0]=2 396 B8R1.1 O=CC1=NC=C(Cl)S1 C9512 [1,1,0,0,0,0|0,0,0]=2 397 B8R1.1 OCC1=NC(Br)=CS1 B10817 [1,1,0,0,0,0|0,0,2]=4 398 B8R1.1 OCC1=NC=C(Br)S1 B10575 [1,1,0,0,0,0|0,0,2]=4 399 B8R1.1 OCC1=NC=C(Cl)S1 C13054 [1,1,0,0,0,0|0,0,2]=4 400 B8R1.8 CCCC1=CC=CS1 P43744 [1,1,0,0,0,0|1,0,1]=4 401 B8R1.8 CCCC1=NC=CN1 P68616 [1,1,0,0,0,0|1,0,1]=4 402 B8R1.8 CCCC1=NC=CS1 P43394 [1,1,0,0,0,0|0,0,1]=3 403 B8R1.8 CCNC1=NC=CS1 E41366 [1,1,0,0,0,0|0,0,1]=3 404 B8R1.8 CCOC1=NC=CS1 E41172 [1,1,0,0,0,0|0,0,1]=3 405 B8R1.8 CNCC1=CC=CS1 M43398 [1,1,0,0,0,0|1,0,1]=4 406 B8R1.8 N#CCC1=NC=CS1 T10963 [1,1,0,0,0,0|0,0,2]=4 407 B8R1.8 NCCC1=CC=CS1 T12818 [1,1,0,0,0,0|1,0,1]=4 408 B8R1.8 NCCC1=NC=CN1 K41400 [1,1,0,0,0,0|1,0,1]=4 409 B8R1.8 NCCC1=NN=CS1 T11221 [1,1,0,0,0,0|1,0,1]=4 410 B8R1.8 NCCC1=NN=CS1 T13923 [1,1,0,0,0,0|1,0,1]=4 411 B8R1.8 OCCC1=CC=CS1 T12817 [1,1,0,0,0,0|1,0,1]=4 412 B8R1.11 CC1=C(C=O)N=CN1 M41031 [1,1,0,0,0,0|2,0,0]=4 413 B8R1.11 CC1=C(C=O)N=CS1 M41008 [1,1,0,0,0,0|2,0,0]=4 414 B8R1.11 CC1=C(C=O)NC=C1 M63105 [1,1,0,0,0,0|1,0,1]=4 415 B8R1.11 CC1=C(C=O)SC=C1 M39271 [1,1,0,0,0,0|1,0,0]=3 416 B8R1.11 CC1=C(C=O)SC=N1 M41007 [1,1,0,0,0,0|2,0,0]=4 417 B8R1.11 CCC1=NC=CN1C E46632 [1,1,0,0,0,0|1,0,1]=4 418 B8R1.11 CN1C=CC=C1C=O M17296 [1,1,0,0,0,0|1,0,1]=4 419 B8R1.11 CN1C=CN=C1C=O M14037 [1,1,0,0,0,0|1,0,0]=3 420 B8R1.11 O=CC1=C(Br)C=CN1 B14575 [1,1,0,0,0,0|1,0,1]=4 421 B8R1.11 O=CC1=C(Br)C=CO1 B6471 [1,1,0,0,0,0|1,1,0]=4 422 B8R1.11 O=CC1=C(Br)C=CS1 B14081 [1,1,0,0,0,0|1,0,0]=3 423 B8R1.11 O=CC1=C(Br)NC=N1 B40040 [1,1,0,0,0,0|2,0,0]=4 424 B8R1.11 O=CC1=C(Cl)C=CN1 C14573 [1,1,0,0,0,0|1,0,1]=4 425 B8R1.11 O=CC1=C(Cl)C=CS1 C14086 [1,1,0,0,0,0|1,0,0]=3 426 B8R1.11 O=CC1=C(Cl)N=CS1 C40016 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [0,1,0,0,0,1|2,0,0]=4 428 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [0,1,0,0,0,1|2,0,0]=4 429 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [0,1,0,0,0,1|2,0,0]=4 430 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [0,1,0,0,0,1|2,0,0]=4 431 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [0,1,0,0,0,1|2,0,0]=4 432 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [0,1,0,0,0,1|2,0,0]=4 433 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 B3106 [0,1,0,0,0,1|1,0,0]=3 434 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [0,1,0,0,0,1|1,0,0]=3 435 B10R1.13 CC(=O)C1=CN=C(C)N=C1 M13671 [0,1,0,0,0,1|2,0,0]=4 436 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 A24257 [0,1,0,0,0,1|1,0,0]=3 437 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 C16565 [0,1,0,0,0,1|2,0,0]=4 438 B10R1.13 CC(=O)C1=CN=C(F)C=C1 F45498 [0,1,0,0,0,1|1,0,0]=3 439 B10R1.13 CC(=O)C1=CN=C(N)C=C1 A22139 [0,1,0,0,0,1|1,0,0]=3 440 B10R1.13 CC(=O)C1=CN=C(N)N=C1 A43099 [0,1,0,0,0,1|2,0,0]=4 441 B10R1.13 CC(=O)C1=CNC(=O)C=C1 A67563 [0,1,0,0,0,1|1,0,1]=4 442 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 B22347 [0,1,0,0,0,1|1,0,0]=3 443 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 B11274 [0,1,0,0,0,1|1,0,0]=3 444 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [0,1,0,0,0,1|1,0,0]=3 445 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 C26822 [0,1,0,0,0,1|1,0,0]=3 446 B10R1.13 CC(=O)C1=NC=C(F)C=N1 F9990 [0,1,0,0,0,1|1,0,0]=3 447 B10R1.13 CC(=O)C1=NC=C(O)C=C1 H45820 [0,1,0,0,0,1|1,0,0]=3 448 B10R1.13 CC(=O)C1=NC=C(O)N=C1 H42776 [0,1,0,0,0,1|1,0,0]=3 449 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 A15077 [0,1,0,0,0,1|1,0,0]=3 450 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M23707 [0,1,0,0,0,1|2,0,0]=4 451 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M46550 [0,1,0,0,0,1|2,0,0]=4 452 B10R1.13 CC1=CN=C(C(=O)O)C=N1 M4677 [0,1,0,0,0,1|2,0,0]=4 453 B10R1.13 CC1=CN=C(C(=O)O)N=C1 M11475 [0,1,0,0,0,1|2,0,0]=4 454 B10R1.13 CC1=NC=C(C(=O)O)C=C1 M10933 [0,1,0,0,0,1|2,0,0]=4 455 B10R1.13 C[S@](=O)C1=NC=C(Br)C=N1 B63213 [0,1,0,0,0,1|2,0,0]=4 456 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 B9626 [0,1,0,0,0,1|2,0,0]=4 457 B10R1.13 NC(=O)C1=CN=C(Br)C=N1 B40806 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 C42457 [0,1,0,0,0,1|2,0,0]=4 459 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 B26330 [0,1,0,0,0,1|2,0,0]=4 460 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 C42456 [0,1,0,0,0,1|2,0,0]=4 461 B10R1.13 NC(=O)C1=NC=C(F)C=C1 F42460 [0,1,0,0,0,1|2,0,0]=4 462 B10R1.13 NC(=O)C1=NC=C(N)C=C1 A43096 [0,1,0,0,0,1|2,0,0]=4 463 B10R1.13 NC(=O)C1=NC=C(N)C=N1 A41101 [0,1,0,0,0,1|2,0,0]=4 464 B10R1.13 NC(=O)C1=NC=C(N)N=C1 A41099 [0,1,0,0,0,1|2,0,0]=4 465 B10R1.13 NC(=O)C1=NN=C(Cl)C=C1 C9732 [0,1,0,0,0,1|2,0,0]=4 466 B10R1.13 NC(=O)C1=NN=C(N)C=C1 A10801 [0,1,0,0,0,1|2,0,0]=4 467 B10R1.13 NC1=CN=C(C(=O)O)C=C1 A1119 [0,1,0,0,0,1|2,0,0]=4 468 B10R1.13 NC1=CN=C(C(=O)O)C=N1 A14591 [0,1,0,0,0,1|2,0,0]=4 469 B10R1.13 NC1=CN=C(C(=O)O)N=C1 A12385 [0,1,0,0,0,1|2,0,0]=4 470 B10R1.13 NC1=NC=C(C(=O)O)C=C1 A4758 [0,1,0,0,0,1|2,0,0]=4 471 B10R1.13 NC1=NN=C(C(=O)O)C=C1 A7484 [0,1,0,0,0,1|2,0,0]=4 472 B10R1.13 NC1=NN=C(C(=O)O)CS1 A1358 [0,1,0,0,0,1|2,0,0]=4 473 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 C42006 [0,1,0,0,0,1|2,0,0]=4 474 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 B4499 [0,1,0,0,0,1|2,0,0]=4 475 B10R1.13 O=C(O)C1=CN=C(Br)C=N1 B26010 [0,1,0,0,0,1|2,0,0]=4 476 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 C24114 [0,1,0,0,0,1|2,0,0]=4 477 B10R1.13 O=C(O)C1=CN=C(Cl)C=N1 C7535 [0,1,0,0,0,1|2,0,0]=4 478 B10R1.13 O=C(O)C1=CN=C(F)C=C1 F2849 [0,1,0,0,0,1|2,0,0]=4 479 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 B4511 [0,1,0,0,0,1|2,0,0]=4 480 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 B14043 [0,1,0,0,0,1|2,0,0]=4 481 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 C11476 [0,1,0,0,0,1|2,0,0]=4 482 B10R1.13 O=C(O)C1=NC=C(F)C=C1 F13767 [0,1,0,0,0,1|2,0,0]=4 483 B10R1.13 O=C(O)C1=NC=C(F)C=N1 F11482 [0,1,0,0,0,1|2,0,0]=4 484 B10R1.13 O=C(O)C1=NC=C(I)C=C1 I38885 [0,1,0,0,0,1|2,0,0]=4 485 B10R1.13 O=C(O)C1=NC=C(O)C=C1 H8151 [0,1,0,0,0,1|2,0,0]=4 486 B10R1.13 O=C(O)C1=NC=C(O)N=C1 H12388 [0,1,0,0,0,1|2,0,0]=4 487 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 B13479 [0,1,0,0,0,1|2,0,0]=4 488 B10R1.13 O=C(O)C1=NN=C(Cl)C=C1 C0263 [0,1,0,0,0,1|2,0,0]=4 489 B10R1.13 O=C(O)C1=NN=C(O)C=C1 H0266 [0,1,0,0,0,1|2,0,0]=4 490 B10R1.13 O=C(O)C1=NN=C(O)C=C1 H41345 [0,1,0,0,0,1|2,0,0]=4 491 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [0,1,0,0,0,1|1,0,0]=3 492 B10R1.15 CCC(=O)C1=NC=CC=N1 P61892 [0,1,0,0,0,1|1,0,0]=3 493 B10R1.15 CCC(=O)C1=NC=CN=C1 P14589 [0,1,0,0,0,1|1,0,0]=3 494 B10R1.15 COC(=O)C1=CC=NC=C1 M64933 [0,1,0,0,0,1|2,0,0]=4 495 B10R1.15 COC(=O)C1=CN=CN=C1 M10227 [0,1,0,0,0,1|2,0,0]=4 496 B10R1.15 COC(=O)C1=CN=NC=C1 M12256 [0,1,0,0,0,1|2,0,0]=4 497 B10R1.15 COC(=O)C1=NC=CC=C1 M28469 [0,1,0,0,0,1|1,0,0]=3 498 B10R1.15 COC(=O)C1=NC=CC=N1 M3445 [0,1,0,0,0,1|1,0,0]=3 499 B10R1.15 COC(=O)C1=NC=CN=C1 M2717 [0,1,0,0,0,1|1,0,0]=3 500 B10R1.15 COC(=O)C1=NC=NC=C1 P0159 [0,1,0,0,0,1|1,0,0]=3 501 B10R1.15 COC(=O)C1=NN=CC=C1 M0217 [0,1,0,0,0,1|1,0,0]=3 502 B10R1.15 C\C(=N\O)C1=NC=CC=C1 M66365 [0,1,0,0,0,1|1,0,1]=4 503 B10R1.15 NNC(=O)C1=NC=CC=C1 P43090 [0,1,0,0,0,1|2,0,0]=4 504 B10R1.15 NNC(=O)C1=NC=CN=C1 P67570 [0,1,0,0,0,1|2,0,0]=4 505 B10R1.15 NNC(=O)C1=NC=NC=C1 P9375 [0,1,0,0,0,1|2,0,0]=4 506 B10R1.15 O=C(CBr)C1=CN=CC=C1 B68250 [0,1,0,0,0,1|1,0,0]=3 507 B10R1.15 O=C(CBr)C1=NC=CC=C1 B45477 [0,1,0,0,0,1|1,0,0]=3 508 B10R1.15 O=C(CBr)C1=NC=CC=N1 B20416 [0,1,0,0,0,1|1,0,0]=3 509 B10R1.15 O=C(CBr)C1=NC=CC=N1 B69489 [0,1,0,0,0,1|1,0,0]=3 510 B10R1.15 O=C(CBr)C1=NC=CN=C1 B42452 [0,1,0,0,0,1|1,0,0]=3 511 B10R1.15 O=C(CCl)C1=CN=CC=C1 C45489 [0,1,0,0,0,1|1,0,0]=3 512 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [0,1,0,0,0,1|2,0,0]=4 513 B10R1.28 CS(=O)(=O)C1=NC=CC=N1 M5572 [0,1,0,0,0,1|2,0,0]=4 514 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 B48708 [0,1,0,0,0,1|2,0,0]=4 515 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 B45470 [0,1,0,0,0,1|1,0,0]=3 516 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 A10416 [0,1,0,0,0,1|2,0,0]=4 517 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 B37228 [0,1,0,0,0,1|1,0,0]=3 518 B10R1.61 CC(=O)C1=C(C)C=CC=C1 T39529 [0,1,0,0,0,1|2,0,0]=4 519 B10R1.61 CC(=O)C1=C(C)N=CC=C1 M21788 [0,1,0,0,0,1|1,0,0]=3 520 B10R1.61 CC(=O)C1=C(C)N=CN=C1 M45983 [0,1,0,0,0,1|2,0,0]=4 521 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 C68333 [0,1,0,0,0,1|2,0,0]=4 522 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 A11386 [0,1,0,0,0,1|1,0,0]=3 523 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 C16933 [0,1,0,0,0,1|1,0,0]=3 524 B10R1.61 CC(=O)C1=C(F)C=CC=C1 F69325 [0,1,0,0,0,1|2,0,0]=4 525 B10R1.61 CC(=O)C1=C(F)C=CC=N1 A12617 [0,1,0,0,0,1|1,0,0]=3 526 B10R1.61 CC(=O)C1=C(F)C=NC=C1 A12618 [0,1,0,0,0,1|2,0,0]=4 527 B10R1.61 CC(=O)C1=C(I)C=CC=C1 K48750 [0,1,0,0,0,1|2,0,0]=4 528 B10R1.61 CC(=O)C1=C(N)C=CC=C1 A49645 [0,1,0,0,0,1|2,0,0]=4 529 B10R1.61 CC(=O)C1=C(N)C=NC=C1 A45980 [0,1,0,0,0,1|2,0,0]=4 530 B10R1.61 CC(=O)C1=C(N)N=CC=C1 A45979 [0,1,0,0,0,1|1,0,0]=3 531 B10R1.61 CC(=O)C1=C(O)C=NC=C1 H45819 [0,1,0,0,0,1|2,0,0]=4 532 B10R1.61 CC(=O)C1=CC=CN=C1Br A13535 [0,1,0,0,0,1|1,0,0]=3 533 B10R1.61 CC(=O)C1=CC=CN=C1Cl A12691 [0,1,0,0,0,1|1,0,0]=3 534 B10R1.61 CC(=O)C1=CC=CN=C1F A45493 [0,1,0,0,0,1|1,0,0]=3 535 B10R1.61 CC(=O)C1=CC=CNC1=O A45815 [0,1,0,0,0,1|1,0,1]=4 536 B10R1.61 CC(=O)C1=CNC=CC1=O A45816 [0,1,0,0,0,1|1,0,1]=4 537 B10R1.61 CC(=O)C1=NC=CC=C1O H37046 [0,1,0,0,0,1|1,0,0]=3 538 B10R1.61 CC(=O)C1=NC=CN=C1C M45981 [0,1,0,0,0,1|1,0,0]=3 539 B10R1.61 CC(=O)C1=NC=CN=C1Cl A11547 [0,1,0,0,0,1|1,0,0]=3 540 B10R1.61 CC(=O)C1=NC=CN=C1N A14612 [0,1,0,0,0,1|1,0,0]=3 541 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M14576 [0,1,0,0,0,1|2,0,0]=4 542 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M45814 [0,1,0,0,0,1|2,0,0]=4 543 B10R1.61 CC1=C(C(=O)O)C=NC=C1 M4658 [0,1,0,0,0,1|2,0,0]=4 544 B10R1.61 CC1=C(C(N)=O)C=CC=N1 M45974 [0,1,0,0,0,1|2,0,0]=4 545 B10R1.61 CC1=CC=CN=C1C(=O)O M14577 [0,1,0,0,0,1|2,0,0]=4 546 B10R1.61 CC1=CC=CN=C1C(=O)O M62138 [0,1,0,0,0,1|2,0,0]=4 547 B10R1.61 CC1=CC=NN=C1C(=O)O M14534 [0,1,0,0,0,1|2,0,0]=4 548 B10R1.61 CC1=CN=CN=C1C(=O)O M42780 [0,1,0,0,0,1|2,0,0]=4 549 B10R1.61 CC1=NC=CN=C1C(=O)O M7738 [0,1,0,0,0,1|2,0,0]=4 550 B10R1.61 NC(=O)C1=C(Cl)C=CC=N1 C42454 [0,1,0,0,0,1|2,0,0]=4 551 B10R1.61 NC(=O)C1=C(Cl)C=CN=C1 C42455 [0,1,0,0,0,1|2,0,0]=4 552 B10R1.61 NC(=O)C1=C(N)C=CN=C1 A3037 [0,1,0,0,0,1|2,0,0]=4 553 B10R1.61 NC(=O)C1=C(N)N=CC=C1 A65610 [0,1,0,0,0,1|2,0,0]=4 554 B10R1.61 NC(=O)C1=NC=CC=C1N A15555 [0,1,0,0,0,1|2,0,0]=4 555 B10R1.61 NC(=O)C1=NC=CN=C1Br B61986 [0,1,0,0,0,1|2,0,0]=4 556 B10R1.61 NC(=O)C1=NC=CN=C1Cl C40808 [0,1,0,0,0,1|2,0,0]=4 557 B10R1.61 NC(=O)C1=NC=CN=C1N A41098 [0,1,0,0,0,1|2,0,0]=4 558 B10R1.61 NC(=O)C1=NC=CN=C1O H37958 [0,1,0,0,0,1|2,0,0]=4 559 B10R1.61 NC(=O)C1=NC=CN=C1[O-] S65958 [0,1,0,0,0,1|2,0,0]=4 560 B10R1.61 NC1=C(C(=O)O)C=CC=N1 A12487 [0,1,0,0,0,1|2,0,0]=4 561 B10R1.61 NC1=C(C(=O)O)C=NC=C1 A4739 [0,1,0,0,0,1|2,0,0]=4 562 B10R1.61 NC1=CC=CN=C1C(=O)O A0472 [0,1,0,0,0,1|2,0,0]=4 563 B10R1.61 NC1=CN=CN=C1C(=O)O A40970 [0,1,0,0,0,1|2,0,0]=4 564 B10R1.61 NC1=NC=CN=C1C(=O)O A69313 [0,1,0,0,0,1|2,0,0]=4 565 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 B31223 [0,1,0,0,0,1|2,0,0]=4 566 B10R1.61 O=C(O)C1=C(Br)C=NC=N1 B13992 [0,1,0,0,0,1|2,0,0]=4 567 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 C14305 [0,1,0,0,0,1|2,0,0]=4 568 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 C16032 [0,1,0,0,0,1|2,0,0]=4 569 B10R1.61 O=C(O)C1=C(Cl)C=NC=N1 C24697 [0,1,0,0,0,1|2,0,0]=4 570 B10R1.61 O=C(O)C1=C(F)C=CC=N1 F10405 [0,1,0,0,0,1|2,0,0]=4 571 B10R1.61 O=C(O)C1=C(F)C=CN=C1 F61354 [0,1,0,0,0,1|2,0,0]=4 572 B10R1.61 O=C(O)C1=C(F)C=NC=N1 F17530 [0,1,0,0,0,1|2,0,0]=4 573 B10R1.61 O=C(O)C1=C(I)C=CC=N1 K42258 [0,1,0,0,0,1|2,0,0]=4 574 B10R1.61 O=C(O)C1=CC=CN=C1Br B23274 [0,1,0,0,0,1|2,0,0]=4 575 B10R1.61 O=C(O)C1=CC=CN=C1Cl C22883 [0,1,0,0,0,1|2,0,0]=4 576 B10R1.61 O=C(O)C1=CC=CN=C1F F38458 [0,1,0,0,0,1|2,0,0]=4 577 B10R1.61 O=C(O)C1=NC=CC=C1O H25980 [0,1,0,0,0,1|2,0,0]=4 578 B10R1.61 O=C(O)C1=NC=CN=C1Br B40577 [0,1,0,0,0,1|2,0,0]=4 579 B10R1.61 O=C(O)C1=NC=CN=C1Cl C10353 [0,1,0,0,0,1|2,0,0]=4 580 B10R1.61 O=C(O)C1=NC=CN=C1I K40592 [0,1,0,0,0,1|2,0,0]=4 581 B10R1.61 O=C(O)C1=NC=CNC1=O H1611 [0,1,0,0,0,1|2,0,0]=4 582 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 B48877 [0,1,0,0,0,1|2,0,0]=4 583 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 A12880 [0,1,0,0,0,1|1,0,0]=3 584 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 B39012 [0,1,0,0,0,1|2,0,0]=4 585 B10R1.113 CC(=O)C1=CC(C)=CC=C1 T39528 [0,1,0,0,0,1|2,0,0]=4 586 B10R1.113 CC(=O)C1=CC(C)=NC=C1 M49265 [0,1,0,0,0,1|2,0,0]=4 587 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 C0410 [0,1,0,0,0,1|2,0,0]=4 588 B10R1.113 CC(=O)C1=CC(F)=CN=C1 F45496 [0,1,0,0,0,1|1,0,0]=3 589 B10R1.113 CC(=O)C1=CC(N)=CC=C1 A68568 [0,1,0,0,0,1|2,0,0]=4 590 B10R1.113 CC(=O)C1=CC(O)=CC=C1 H60763 [0,1,0,0,0,1|2,0,0]=4 591 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 A45468 [0,1,0,0,0,1|1,0,0]=3 592 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 C69069 [0,1,0,0,0,1|2,0,0]=4 593 B10R1.113 CC(=O)C1=CC=CC(Cl)=N1 C45483 [0,1,0,0,0,1|1,0,0]=3 594 B10R1.113 CC(=O)C1=CC=CC(F)=C1 F48736 [0,1,0,0,0,1|2,0,0]=4 595 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F45497 [0,1,0,0,0,1|1,0,0]=3 596 B10R1.113 CC(=O)C1=CC=CC(I)=C1 I37889 [0,1,0,0,0,1|2,0,0]=4 597 B10R1.113 CC(=O)C1=CC=NC(Cl)=N1 C32407 [0,1,0,0,0,1|1,0,0]=3 598 B10R1.113 CC(=O)C1=CN=CC(C)=C1 M63719 [0,1,0,0,0,1|1,0,0]=3 599 B10R1.113 CC(=O)C1=NC(C)=CC=C1 A49259 [0,1,0,0,0,1|1,0,0]=3 600 B10R1.113 CC(=O)C1=NC(N)=CC=C1 A37132 [0,1,0,0,0,1|1,0,0]=3 601 B10R1.113 CC(=O)C1=NC(N)=NC=C1 A14288 [0,1,0,0,0,1|1,0,0]=3 602 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 B45471 [0,1,0,0,0,1|1,0,0]=3 603 B10R1.113 CC(=O)C1=NC=CC(C)=C1 M4575 [0,1,0,0,0,1|1,0,0]=3 604 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 C61244 [0,1,0,0,0,1|1,0,0]=3 605 B10R1.113 CC(=O)C1=NC=NC(C)=C1 M45984 [0,1,0,0,0,1|1,0,0]=3 606 B10R1.113 CC1=CC(C(=O)O)=CN=C1 M10515 [0,1,0,0,0,1|2,0,0]=4 607 B10R1.113 CC1=CC(C(=O)O)=NC=C1 M38719 [0,1,0,0,0,1|2,0,0]=4 608 B10R1.113 CC1=CC(C(=O)O)=NC=N1 M14544 [0,1,0,0,0,1|2,0,0]=4 609 B10R1.113 CC1=CC(C(=O)O)=NN=C1 M17544 [0,1,0,0,0,1|2,0,0]=4 610 B10R1.113 CC1=CC=CC(C(=O)O)=N1 M45823 [0,1,0,0,0,1|2,0,0]=4 611 B10R1.113 CC1=CC=NC(C(=O)O)=N1 M14425 [0,1,0,0,0,1|2,0,0]=4 612 B10R1.113 CC1=CC=NC(C(N)=O)=N1 M43098 [0,1,0,0,0,1|2,0,0]=4 613 B10R1.113 CC1=CN=CC(C(=O)O)=N1 M10680 [0,1,0,0,0,1|2,0,0]=4 614 B10R1.113 CC1=CN=CC(C(N)=O)=N1 M43097 [0,1,0,0,0,1|2,0,0]=4 615 B10R1.113 CC1=NC=CC(C(=O)O)=N1 M42778 [0,1,0,0,0,1|2,0,0]=4 616 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 B42448 [0,1,0,0,0,1|2,0,0]=4 617 B10R1.113 NC(=O)C1=CC=NC(Br)=N1 B37467 [0,1,0,0,0,1|2,0,0]=4 618 B10R1.113 NC(=O)C1=CC=NC(Cl)=N1 C4894 [0,1,0,0,0,1|2,0,0]=4 619 B10R1.113 NC(=O)C1=CN=CC(Cl)=N1 C40809 [0,1,0,0,0,1|2,0,0]=4 620 B10R1.113 NC(=O)C1=CN=CC(N)=C1 A43095 [0,1,0,0,0,1|2,0,0]=4 621 B10R1.113 NC(=O)C1=NC(N)=NC=C1 A41100 [0,1,0,0,0,1|2,0,0]=4 622 B10R1.113 NC(=O)C1=NC(O)=CC=C1 H42772 [0,1,0,0,0,1|2,0,0]=4 623 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 B12089 [0,1,0,0,0,1|2,0,0]=4 624 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 H15729 [0,1,0,0,0,1|2,0,0]=4 625 B10R1.113 NC(=O)C1=NC=CC(N)=C1 A43091 [0,1,0,0,0,1|2,0,0]=4 626 B10R1.113 NC1=CC(C(=O)O)=CN=C1 A4566 [0,1,0,0,0,1|2,0,0]=4 627 B10R1.113 NC1=CC(C(=O)O)=NC=C1 A10317 [0,1,0,0,0,1|2,0,0]=4 628 B10R1.113 NC1=CC(C(=O)O)=NC=N1 A54071 [0,1,0,0,0,1|2,0,0]=4 629 B10R1.113 NC1=CC=CC(C(=O)O)=N1 A4798 [0,1,0,0,0,1|2,0,0]=4 630 B10R1.113 NC1=CN=CC(C(=O)O)=N1 A40967 [0,1,0,0,0,1|2,0,0]=4 631 B10R1.113 NC1=NC=CC(C(=O)O)=N1 A3707 [0,1,0,0,0,1|2,0,0]=4 632 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C42007 [0,1,0,0,0,1|2,0,0]=4 633 B10R1.113 O=C(Cl)C1=CC=NC(Cl)=N1 C40485 [0,1,0,0,0,1|2,0,0]=4 634 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 B69308 [0,1,0,0,0,1|2,0,0]=4 635 B10R1.113 O=C(O)C1=CC(Cl)=CN=C1 C10556 [0,1,0,0,0,1|2,0,0]=4 636 B10R1.113 O=C(O)C1=CC(Cl)=CN=N1 C40581 [0,1,0,0,0,1|2,0,0]=4 637 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 C10743 [0,1,0,0,0,1|2,0,0]=4 638 B10R1.113 O=C(O)C1=CC(F)=CN=C1 F12047 [0,1,0,0,0,1|2,0,0]=4 639 B10R1.113 O=C(O)C1=CC=CC(Br)=N1 B4508 [0,1,0,0,0,1|2,0,0]=4 640 B10R1.113 O=C(O)C1=CC=CC(F)=N1 F3784 [0,1,0,0,0,1|2,0,0]=4 641 B10R1.113 O=C(O)C1=CC=NC(Br)=N1 B32155 [0,1,0,0,0,1|2,0,0]=4 642 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 C5854 [0,1,0,0,0,1|2,0,0]=4 643 B10R1.113 O=C(O)C1=CN=CC(Br)=N1 B32134 [0,1,0,0,0,1|2,0,0]=4 644 B10R1.113 O=C(O)C1=CN=CC(Cl)=N1 C0341 [0,1,0,0,0,1|2,0,0]=4 645 B10R1.113 O=C(O)C1=CN=CC(O)=C1 H4735 [0,1,0,0,0,1|2,0,0]=4 646 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 B7920 [0,1,0,0,0,1|2,0,0]=4 647 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 C24201 [0,1,0,0,0,1|2,0,0]=4 648 B10R1.113 O=C(O)C1=NC=CC(F)=C1 F42252 [0,1,0,0,0,1|2,0,0]=4 649 B10R1.113 O=C(O)C1=NC=CC(I)=C1 I3949 [0,1,0,0,0,1|2,0,0]=4 650 B10R1.113 O=C(O)C1=NC=CC(O)=C1 H9415 [0,1,0,0,0,1|2,0,0]=4 651 B10R1.113 O=C(O)C1=NC=NC(O)=C1 H3196 [0,1,0,0,0,1|2,0,0]=4 652 B10R1.113 O=C1C=NC=C(C(=O)O)N1 X40760 [0,1,0,0,0,1|2,0,0]=4 653 B10R1.113 O=C1C=NC=C(C(=O)[O-])N1 S65540 [0,1,0,0,0,1|2,0,0]=4 654 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 A11151 [0,1,0,0,0,1|2,0,0]=4 655 B10R1.54 CC(=O)NC1=CC=C(Br)S1 B42894 [0,1,0,0,0,1|1,0,0]=3 656 B10R1.54 CC(=O)NC1=NC(C)=CS1 A68861 [0,1,0,0,0,1|0,0,0]=2 657 B10R1.54 CC(=O)NC1=NC=C(Br)S1 A2519 [0,1,0,0,0,1|0,0,0]=2 658 B10R1.54 CC(=O)NC1=NNC(C)=C1 M43357 [0,1,0,0,0,1|2,0,0]=4 659 B10R1.54 N=C(N)NC1=NC=C(N)S1 A40333 [0,1,0,0,0,1|2,0,0]=4 660 B10R1.54 O=C(O)CC1=NC(Cl)=CS1 C12127 [0,1,0,0,0,1|1,0,0]=3 661 B10R1.54 O=C(O)CC1=NC=C(Cl)S1 C11230 [0,1,0,0,0,1|1,0,0]=3 662 B10R1.11 CCOC(=O)C1=CC=CN1 E22399 [0,2,0,0,0,0|1,0,1]=4 663 B10R1.11 CCOC(=O)C1=CN=CS1 E9760 [0,2,0,0,0,0|2,0,0]=4 664 B10R1.11 CCOC(=O)C1=COC=N1 E2170 [0,2,0,0,0,0|2,0,0]=4 665 B10R1.11 CCOC(=O)C1=CSC=N1 E2134 [0,2,0,0,0,0|2,0,0]=4 666 B10R1.11 CCOC(=O)C1=NC=CN1 E23112 [0,2,0,0,0,0|1,0,0]=3 667 B10R1.11 CCOC(=O)C1=NC=CO1 E23077 [0,2,0,0,0,0|0,1,0]=3 668 B10R1.11 CCOC(=O)C1=NC=CS1 E43151 [0,2,0,0,0,0|0,0,0]=2 669 B10R1.11 CCOC(=O)C1=NN=CS1 T67360 [0,2,0,0,0,0|1,0,0]=3 670 B10R1.11 CCOC(=O)C1=NNC=C1 E0715 [0,2,0,0,0,0|2,0,0]=4 671 B10R1.11 CCOC(=O)C1=NOC=C1 E7434 [0,2,0,0,0,0|2,0,0]=4 672 B10R1.11 N#CCC(=O)C1=CC=CO1 F68571 [0,2,0,0,0,0|1,1,0]=4 673 B10R1.11 N#CCC(=O)C1=CC=CS1 T12473 [0,2,0,0,0,0|1,0,0]=3 674 B10R1.14 CC1=NSC(C(=O)NN)=N1 M61487 [0,2,0,0,0,0|2,0,0]=4 675 B10R1.14 CNC(=O)C1=CN=C(N)S1 A41157 [0,2,0,0,0,0|2,0,0]=4 676 B10R1.14 CNC(=O)C1=NOC(C)=C1 D43221 [0,2,0,0,0,0|2,0,0]=4 677 B10R1.14 COC(=O)C1=CC(Br)=CN1 M12023 [0,2,0,0,0,0|1,0,1]=4 678 B10R1.14 COC(=O)C1=CC(Br)=CO1 M42715 [0,2,0,0,0,0|1,1,0]=4 679 B10R1.14 COC(=O)C1=CC(Br)=CS1 M7697 [0,2,0,0,0,0|1,0,0]=3 680 B10R1.14 COC(=O)C1=CC(Cl)=CS1 M14084 [0,2,0,0,0,0|1,0,0]=3 681 B10R1.14 COC(=O)C1=CC(F)=CS1 M42707 [0,2,0,0,0,0|1,0,0]=3 682 B10R1.14 COC(=O)C1=CC(N)=CS1 M43154 [0,2,0,0,0,0|1,0,0]=3 683 B10R1.14 COC(=O)C1=CC=C(Br)N1 M9622 [0,2,0,0,0,0|1,0,1]=4 684 B10R1.14 COC(=O)C1=CC=C(Br)O1 M42716 [0,2,0,0,0,0|1,1,0]=4 685 B10R1.14 COC(=O)C1=CC=C(Br)S1 M7698 [0,2,0,0,0,0|1,0,0]=3 686 B10R1.14 COC(=O)C1=CC=C(C)N1 M46412 [0,2,0,0,0,0|1,0,1]=4 687 B10R1.14 COC(=O)C1=CC=C(C)O1 M46254 [0,2,0,0,0,0|1,1,0]=4 688 B10R1.14 COC(=O)C1=CC=C(Cl)S1 M66823 [0,2,0,0,0,0|1,0,0]=3 689 B10R1.14 COC(=O)C1=CC=C(I)S1 M42708 [0,2,0,0,0,0|1,0,0]=3 690 B10R1.14 COC(=O)C1=CC=C(N)O1 A11105 [0,2,0,0,0,0|1,1,0]=4 691 B10R1.14 COC(=O)C1=CC=C(N)S1 M9979 [0,2,0,0,0,0|1,0,0]=3 692 B10R1.14 COC(=O)C1=CN(C)C=N1 M29723 [0,2,0,0,0,0|2,0,0]=4 693 B10R1.14 COC(=O)C1=CN=C(Br)S1 M2155 [0,2,0,0,0,0|2,0,0]=4 694 B10R1.14 COC(=O)C1=CN=C(Cl)S1 M2695 [0,2,0,0,0,0|2,0,0]=4 695 B10R1.14 COC(=O)C1=CN=C(N)S1 M2153 [0,2,0,0,0,0|2,0,0]=4 696 B10R1.14 COC(=O)C1=COC(Br)=N1 M3573 [0,2,0,0,0,0|2,0,0]=4 697 B10R1.14 COC(=O)C1=COC(C)=N1 M7131 [0,2,0,0,0,0|2,0,0]=4 698 B10R1.14 COC(=O)C1=COC(Cl)=N1 M2706 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.14 COC(=O)C1=COC(N)=N1 M2978 [0,2,0,0,0,0|2,0,0]=4 700 B10R1.14 COC(=O)C1=CSC(Br)=N1 M2154 [0,2,0,0,0,0|2,0,0]=4 701 B10R1.14 COC(=O)C1=CSC(C)=N1 M2884 [0,2,0,0,0,0|2,0,0]=4 702 B10R1.14 COC(=O)C1=CSC(Cl)=N1 M2986 [0,2,0,0,0,0|2,0,0]=4 703 B10R1.14 COC(=O)C1=CSC(N)=N1 M2152 [0,2,0,0,0,0|2,0,0]=4 704 B10R1.14 COC(=O)C1=NC(Br)=CS1 M8686 [0,2,0,0,0,0|0,0,0]=2 705 B10R1.14 COC(=O)C1=NC(C)=CS1 M43155 [0,2,0,0,0,0|0,0,0]=2 706 B10R1.14 COC(=O)C1=NC=C(Br)S1 M17507 [0,2,0,0,0,0|0,0,0]=2 707 B10R1.14 COC(=O)C1=NC=C(C)O1 M17998 [0,2,0,0,0,0|0,1,0]=3 708 B10R1.14 COC(=O)C1=NC=C(C)S1 M43156 [0,2,0,0,0,0|0,0,0]=2 709 B10R1.14 COC(=O)C1=NC=C(N)S1 M14283 [0,2,0,0,0,0|0,0,0]=2 710 B10R1.14 COC(=O)C1=NN(C)C=C1 M29732 [0,2,0,0,0,0|2,0,0]=4 711 B10R1.14 COC(=O)C1=NN(C)C=N1 M14788 [0,2,0,0,0,0|2,0,0]=4 712 B10R1.14 COC(=O)C1=NNC(Br)=C1 M18674 [0,2,0,0,0,0|2,0,0]=4 713 B10R1.14 COC(=O)C1=NNC(Br)=N1 M39041 [0,2,0,0,0,0|2,0,0]=4 714 B10R1.14 COC(=O)C1=NNC(C)=C1 M9723 [0,2,0,0,0,0|2,0,0]=4 715 B10R1.14 COC(=O)C1=NNC(Cl)=C1 M30058 [0,2,0,0,0,0|2,0,0]=4 716 B10R1.14 COC(=O)C1=NNC(I)=C1 M15686 [0,2,0,0,0,0|2,0,0]=4 717 B10R1.14 COC(=O)C1=NNC(N)=N1 M40207 [0,2,0,0,0,0|2,0,0]=4 718 B10R1.14 COC(=O)C1=NNC(O)=C1 M41044 [0,2,0,0,0,0|2,0,0]=4 719 B10R1.14 COC(=O)C1=NOC(N)=C1 M61911 [0,2,0,0,0,0|2,0,0]=4 720 B10R1.149 COC(=O)C1=C(Br)C=CN1 B12084 [0,2,0,0,0,0|1,0,1]=4 721 B10R1.149 COC(=O)C1=C(Br)C=CS1 M15715 [0,2,0,0,0,0|1,0,0]=3 722 B10R1.149 COC(=O)C1=C(Br)SC=N1 M3202 [0,2,0,0,0,0|2,0,0]=4 723 B10R1.149 COC(=O)C1=C(C)C=CN1 M11830 [0,2,0,0,0,0|1,0,1]=4 724 B10R1.149 COC(=O)C1=C(C)C=CO1 M46253 [0,2,0,0,0,0|1,1,0]=4 725 B10R1.149 COC(=O)C1=C(C)C=CS1 M46249 [0,2,0,0,0,0|1,0,0]=3 726 B10R1.149 COC(=O)C1=C(C)N=CS1 M67491 [0,2,0,0,0,0|2,0,0]=4 727 B10R1.149 COC(=O)C1=C(C)SC=N1 M3490 [0,2,0,0,0,0|2,0,0]=4 728 B10R1.149 COC(=O)C1=C(Cl)C=CN1 M8084 [0,2,0,0,0,0|1,0,1]=4 729 B10R1.149 COC(=O)C1=C(Cl)C=CS1 M12481 [0,2,0,0,0,0|1,0,0]=3 730 B10R1.149 COC(=O)C1=C(Cl)N=CS1 M40838 [0,2,0,0,0,0|2,0,0]=4 731 B10R1.149 COC(=O)C1=C(Cl)SC=N1 M40839 [0,2,0,0,0,0|2,0,0]=4 732 B10R1.149 COC(=O)C1=C(F)C=CS1 M42706 [0,2,0,0,0,0|1,0,0]=3 733 B10R1.149 COC(=O)C1=C(N)C=CO1 M14191 [0,2,0,0,0,0|1,1,0]=4 734 B10R1.149 COC(=O)C1=C(N)C=CO1 M29739 [0,2,0,0,0,0|1,1,0]=4 735 B10R1.149 COC(=O)C1=C(N)C=CS1 M22453 [0,2,0,0,0,0|1,0,0]=3 736 B10R1.149 COC(=O)C1=C(N)N=CS1 M64895 [0,2,0,0,0,0|2,0,0]=4 737 B10R1.149 COC(=O)C1=C(N)NC=N1 M61578 [0,2,0,0,0,0|2,0,0]=4 738 B10R1.149 COC(=O)C1=C(O)C=CN1 M38841 [0,2,0,0,0,0|1,0,1]=4 739 B10R1.149 COC(=O)C1=C(O)C=CS1 M42957 [0,2,0,0,0,0|1,0,0]=3 740 B10R1.149 COC(=O)C1=CC=CN1N M43225 [0,2,0,0,0,0|1,0,1]=4 741 B10R1.149 COC(=O)C1=NC=CN1C M13998 [0,2,0,0,0,0|1,0,0]=3 742 B10R1.149 COC(=O)C1=NNC=C1Br B3249 [0,2,0,0,0,0|2,0,0]=4 743 B10R1.149 COC(=O)C1=NNC=C1Cl M15947 [0,2,0,0,0,0|2,0,0]=4 744 B10R1.149 COC(=O)C1=NNC=C1F M60255 [0,2,0,0,0,0|2,0,0]=4 745 B10R1.149 COC(=O)C1=NNC=C1I M40909 [0,2,0,0,0,0|2,0,0]=4 746 B10R1.149 COC(=O)C1=NNC=C1N M7694 [0,2,0,0,0,0|2,0,0]=4 747 B10R1.149 NCC(=O)C1=C(N)NC=N1 A14565 [0,2,0,0,0,0|2,0,0]=4 748 B10R1.55 CC(C)(O)C1=NC(Br)=CS1 B2064 [0,2,0,0,0,0|0,0,2]=4 749 B10R1.55 CC(C)(O)C1=NC=C(Br)S1 B5834 [0,2,0,0,0,0|0,0,2]=4 750 B10R1.55 CS(=O)(=O)C1=CC=C(Br)S1 B12841 [0,2,0,0,0,0|2,0,0]=4 751 B10R1.55 C[Si](C)(C)C1=NC(Br)=CS1 B3062 [0,2,0,0,0,0|1,1,0]=4 752 B10R1.31 CC(=O)C1=CC=C(C=O)S1 A45521 [0,2,0,0,0,0|1,0,0]=3 753 B10R1.31 CC(C)C1=NC(C=O)=CS1 F2077 [0,2,0,0,0,0|1,0,1]=4 754 B10R1.31 CC(C)C1=NC(CCl)=CS1 C2078 [0,2,0,0,0,0|1,0,1]=4 755 B10R1.31 CC(C)C1=NC(CN)=CS1 A2450 [0,2,0,0,0,0|1,0,1]=4 756 B10R1.31 CC(C)C1=NC(CO)=CS1 H2956 [0,2,0,0,0,0|1,0,1]=4 757 B10R1.31 CCC1=CSC(C(=O)O)=N1 E43152 [0,2,0,0,0,0|1,0,0]=3 758 B10R1.31 COC1=CN=C(C(=O)O)O1 M41003 [0,2,0,0,0,0|1,1,0]=4 759 B10R1.31 N#CC1=CSC(C(=O)O)=C1 C41959 [0,2,0,0,0,0|2,0,0]=4 760 B10R1.31 O=CC1=CC=C(C(=O)O)S1 F60808 [0,2,0,0,0,0|2,0,0]=4 761 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 B45953 [0,2,0,0,0,0|1,0,0]=3 762 B10R1.58 CC(=O)C1=CC(Cl)=C(Cl)S1 D42352 [0,2,0,0,0,0|1,0,0]=3 763 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 B42699 [0,2,0,0,0,0|2,0,0]=4 764 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 A40836 [0,2,0,0,0,0|2,0,0]=4 765 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 D40549 [0,2,0,0,0,0|2,0,0]=4 766 B10R1.58 O=C(O)C1=CC(Cl)=C(Br)S1 B40551 [0,2,0,0,0,0|2,0,0]=4 767 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)S1 D40553 [0,2,0,0,0,0|2,0,0]=4 768 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 D46833 [0,2,0,0,0,0|1,1,0]=4 769 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 B62817 [0,2,0,0,0,0|2,0,0]=4 770 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 D46440 [0,2,0,0,0,0|2,0,0]=4 771 B10R1.59 CC(=O)C1=C(C)OC(C)=N1 D46406 [0,2,0,0,0,0|2,0,0]=4 772 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 A43257 [0,2,0,0,0,0|2,0,0]=4 773 B10R1.59 O=C(O)C1=C(Br)C=C(Cl)S1 B40550 [0,2,0,0,0,0|2,0,0]=4 774 B10R1.59 O=C(O)C1=C(Cl)C=C(Cl)S1 D62978 [0,2,0,0,0,0|2,0,0]=4 775 B10R1.59 O=C(O)C1=C(F)C=C(Br)S1 B40552 [0,2,0,0,0,0|2,0,0]=4 776 B10R1.194 CC1=CSC(C(=O)O)=C1C D46250 [0,2,0,0,0,0|2,0,0]=4 777 B10R1.194 NC1=C(C(=O)O)SC=C1Br A63160 [0,2,0,0,0,0|2,0,0]=4 778 B10R1.39 CCN1C=CC=C1C(C)=O E46916 [0,2,0,0,0,0|1,0,1]=4 779 B8R1.4 CC1=CC(Br)=CN=C1 B10806 [0,0,1,1,0,0|2,0,0]=4 780 B8R1.4 CC1=CC(Cl)=CN=C1 C22076 [0,0,1,1,0,0|2,0,0]=4 781 B8R1.4 CC1=CC(F)=CN=C1 F42848 [0,0,1,1,0,0|2,0,0]=4 782 B8R1.4 CC1=CC(O)=CN=C1 H23648 [0,0,1,1,0,0|1,1,0]=4 783 B8R1.4 CC1=CC=CC(S)=N1 M38177 [0,0,1,1,0,0|2,0,0]=4 784 B8R1.4 CC1=CN=CC(Br)=N1 B38752 [0,0,1,1,0,0|2,0,0]=4 785 B8R1.4 CC1=CN=CC(C)=N1 D69480 [0,0,1,1,0,0|2,0,0]=4 786 B8R1.4 CC1=CN=CC(Cl)=N1 C37906 [0,0,1,1,0,0|2,0,0]=4 787 B8R1.4 CC1=CN=CC(N)=C1 A4718 [0,0,1,1,0,0|2,0,0]=4 788 B8R1.4 CC1=CN=CC(N)=N1 M41139 [0,0,1,1,0,0|2,0,0]=4 789 B8R1.4 CC1=CN=CC(O)=N1 M67557 [0,0,1,1,0,0|1,1,0]=4 790 B8R1.5 CC1=CC=CN=C1Br B13771 [0,0,1,1,0,0|2,0,0]=4 791 B8R1.5 CC1=CC=CN=C1C L68373 [0,0,1,1,0,0|2,0,0]=4 792 B8R1.5 CC1=CC=CN=C1Cl C21969 [0,0,1,1,0,0|2,0,0]=4 793 B8R1.5 CC1=CC=CN=C1F F42847 [0,0,1,1,0,0|2,0,0]=4 794 B8R1.5 CC1=CC=CN=C1N M20541 [0,0,1,1,0,0|2,0,0]=4 795 B8R1.5 CC1=NC=CN=C1Br B14599 [0,0,1,1,0,0|2,0,0]=4 796 B8R1.5 CC1=NC=CN=C1Cl C14608 [0,0,1,1,0,0|2,0,0]=4 797 B8R1.5 CC1=NC=CN=C1I I14601 [0,0,1,1,0,0|2,0,0]=4 798 B8R1.5 CC1=NC=CN=C1N A14593 [0,0,1,1,0,0|2,0,0]=4 799 B8R1.5 CC1=NC=CN=C1O H14600 [0,0,1,1,0,0|1,1,0]=4 800 B8R1.5 NC1=NC=CNC1=O A40130 [0,0,1,1,0,0|2,0,0]=4 801 B8R1.5 O=C1NC=CN=C1Cl C40043 [0,0,1,1,0,0|2,0,0]=4 802 B10R2.320 O=C1CC2=C1C=CC=C2 B36727 [0,0,0,1,0,1|2,0,0]=4 803 B10R2.2 O=C1NC2=C(N1)SC=C2 T40779 [0,0,0,1,0,1|2,0,0]=4 804 B10R2.32 O=C1CCC2=C1SC=C2 C67539 [0,1,0,1,0,0|1,0,0]=3 805 B8R1.2 CCC1=NC=CN=C1 E43180 [1,0,0,0,0,1|1,0,1]=4 806 B8R1.2 CNC1=CC=CN=C1 M38086 [1,0,0,0,0,1|2,0,0]=4 807 B8R1.2 CNC1=NC=CN=C1 M41140 [1,0,0,0,0,1|2,0,0]=4 808 B8R1.2 COC1=CN=CC=C1 M67978 [1,0,0,0,0,1|2,0,0]=4 809 B8R1.2 COC1=NC=CC=C1 M39277 [1,0,0,0,0,1|2,0,0]=4 810 B8R1.2 COC1=NC=CN=C1 M2768 [1,0,0,0,0,1|2,0,0]=4 811 B8R1.2 COC1=NN=CC=C1 M41021 [1,0,0,0,0,1|2,0,0]=4 812 B8R1.2 CSC1=NC=CC=N1 M2492 [1,0,0,0,0,1|2,0,0]=4 813 B8R1.2 CSC1=NN=CC=N1 M5642 [1,0,0,0,0,1|2,0,0]=4 814 B8R1.2 O=CC1=CC=NC=C1 P42598 [1,0,0,0,0,1|2,0,0]=4 815 B8R1.2 O=CC1=CN=CC=C1 P13753 [1,0,0,0,0,1|1,0,0]=3 816 B8R1.2 O=CC1=CN=CN=C1 F2817 [1,0,0,0,0,1|2,0,0]=4 817 B8R1.2 O=CC1=CN=NC=C1 P7445 [1,0,0,0,0,1|2,0,0]=4 818 B8R1.2 O=CC1=NC=CC=C1 P67836 [1,0,0,0,0,1|1,0,0]=3 819 B8R1.2 O=CC1=NC=CC=N1 P0152 [1,0,0,0,0,1|1,0,0]=3 820 B8R1.2 O=CC1=NC=CN=C1 P0148 [1,0,0,0,0,1|1,0,0]=3 821 B8R1.2 O=CC1=NC=NC=C1 P40755 [1,0,0,0,0,1|1,0,0]=3 822 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [0,0,0,0,0,2|2,0,0]=4 823 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [0,0,0,0,0,2|1,0,0]=3 824 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [0,0,0,0,0,2|2,0,0]=4 825 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [0,0,0,0,0,2|1,0,0]=3 826 B10R1.18 CC(=O)NC1=NC=CC=N1 P43093 [0,0,0,0,0,2|1,0,0]=3 827 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [0,0,0,0,0,2|2,0,0]=4 828 B10R1.18 NC(=O)CC1=NC=CC=N1 P43092 [0,0,0,0,0,2|2,0,0]=4 829 B10R1.18 NC(=O)NC1=NC=CN=C1 P41097 [0,0,0,0,0,2|2,0,0]=4 830 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [0,0,0,0,0,2|2,0,0]=4 831 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [0,0,0,0,0,2|2,0,0]=4 832 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [0,0,0,0,0,2|2,0,0]=4 833 B10R1.18 O=C(O)CC1=NC=CC=N1 P0756 [0,0,0,0,0,2|2,0,0]=4 834 B10R1.18 O=C(O)CC1=NC=CN=C1 P12241 [0,0,0,0,0,2|2,0,0]=4 835 B10R1.18 O=C(O)CC1=NC=NC=C1 P12245 [0,0,0,0,0,2|2,0,0]=4 836 B10R1.18 O=C(O)CC1=NN=CC=C1 P12243 [0,0,0,0,0,2|2,0,0]=4 837 B10R1.18 O=C([O-])CC1=NC=CC=N1 P7450 [0,0,0,0,0,2|2,0,0]=4 838 B10R1.18 O=C([O-])CC1=NN=CC=C1 P27036 [0,0,0,0,0,2|2,0,0]=4 839 B10R1.66 CC(=O)OCC1=CC=CO1 F39416 [0,0,0,0,0,2|1,1,0]=4 840 B10R1.66 O=C(O)CCC1=CC=CS1 T46244 [0,0,0,0,0,2|2,0,0]=4 841 B10R1.66 O=C(O)CCC1=NC=CN1 I38399 [0,0,0,0,0,2|2,0,0]=4 842 B10R1.66 O=C(O)\C=C\C1=CC=CS1 T16653 [0,0,0,0,0,2|2,0,0]=4 843 B10R1.66 O=[N+]([O-])\C=C\C1=NC=CS1 N61200 [0,0,0,0,0,2|2,0,0]=4