0 B8R1.7 CC(=O)C1=CC=CN1 P68619 [0,0,0,0,0,0|0,0,0]=0 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|1,0,0]=1 3 B8R1.7 CC(=O)C1=CC=NO1 K40990 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.7 CC(=O)C1=CNC=C1 A37548 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.7 CC(=O)C1=CNC=N1 A41019 [0,0,0,0,0,0|1,0,1]=2 6 B8R1.7 CC(=O)C1=CNN=C1 P22638 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.7 CC(=O)C1=CSC=C1 A12828 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.7 CC(=O)C1=CSC=N1 T41006 [0,0,0,0,0,0|1,0,1]=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|1,0,1]=2 11 B8R1.7 CC(=O)C1=NOC=C1 K40989 [0,0,0,0,0,0|1,0,1]=2 12 B8R1.7 CC(=O)N1C=CN=C1 I37940 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [0,0,0,0,0,0|1,0,3]=4 14 B8R1.7 CC(C)C1=CC=CO1 P43710 [0,0,0,0,0,0|2,0,1]=3 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|2,0,2]=4 17 B8R1.7 CC(C)N1C=CC=N1 P41426 [0,0,0,0,0,0|2,0,2]=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|1,0,2]=3 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=CN=CN1 K62106 [0,0,0,0,0,0|2,0,1]=3 22 B8R1.7 C[C@H](N)C1=CNC=N1 K41398 [0,0,0,0,0,0|2,0,2]=4 23 B8R1.7 C[C@H](N)C1=NC=CS1 T41204 [0,0,0,0,0,0|2,0,2]=4 24 B8R1.7 C[C@H](N)C1=NC=CS1 T5352 [0,0,0,0,0,0|2,0,2]=4 25 B8R1.7 N=C(N)C1=NC=CN1 I27167 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.7 N=C(N)C1=NC=CN1 I7758 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.7 N=C(N)C1=NC=CS1 T8198 [0,0,0,0,0,0|3,0,1]=4 28 B8R1.7 NC(=O)C1=COC=N1 X40074 [0,0,0,0,0,0|2,0,1]=3 29 B8R1.7 NC(=O)C1=NC=CO1 X26086 [0,0,0,0,0,0|2,0,1]=3 30 B8R1.7 NC(=O)C1=NC=CS1 T61005 [0,0,0,0,0,0|2,0,1]=3 31 B8R1.7 NC(=O)C1=NN=CN1 T69492 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.7 NC(=O)C1=NNC=C1 P67746 [0,0,0,0,0,0|2,0,1]=3 33 B8R1.7 NC(=S)C1=CC=CS1 T41010 [0,0,0,0,0,0|2,1,0]=3 34 B8R1.7 O=C(Cl)C1=CC=CS1 T10056 [0,0,0,0,0,0|2,0,0]=2 35 B8R1.7 O=C(O)C1=CC=CN1 P24658 [0,0,0,0,0,0|1,0,0]=1 36 B8R1.7 O=C(O)C1=CC=CO1 F38499 [0,0,0,0,0,0|2,0,0]=2 37 B8R1.7 O=C(O)C1=CC=CS1 T69312 [0,0,0,0,0,0|2,0,0]=2 38 B8R1.7 O=C(O)C1=CC=NO1 K40064 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.7 O=C(O)C1=CC=NS1 T40063 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.7 O=C(O)C1=CCCC1 C43305 [0,0,0,0,0,0|2,0,2]=4 41 B8R1.7 O=C(O)C1=CN=CO1 O9363 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.7 O=C(O)C1=CN=CS1 T2164 [0,0,0,0,0,0|3,0,0]=3 43 B8R1.7 O=C(O)C1=CNN=C1 P10474 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.7 O=C(O)C1=CNN=N1 T38190 [0,0,0,0,0,0|3,0,1]=4 45 B8R1.7 O=C(O)C1=COC=C1 F14351 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.7 O=C(O)C1=COC=N1 X9342 [0,0,0,0,0,0|2,0,1]=3 47 B8R1.7 O=C(O)C1=COCC1 D8190 [0,0,0,0,0,0|3,0,1]=4 48 B8R1.7 O=C(O)C1=CON=C1 X24704 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.7 O=C(O)C1=CSC=C1 T12825 [0,0,0,0,0,0|3,0,0]=3 50 B8R1.7 O=C(O)C1=CSC=N1 T2163 [0,0,0,0,0,0|2,0,1]=3 51 B8R1.7 O=C(O)C1=CSN=C1 T40062 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.7 O=C(O)C1=CSN=N1 T61264 [0,0,0,0,0,0|3,0,1]=4 53 B8R1.7 O=C(O)C1=NC=CN1 I37951 [0,0,0,0,0,0|2,0,0]=2 54 B8R1.7 O=C(O)C1=NC=CS1 T9224 [0,0,0,0,0,0|2,0,1]=3 55 B8R1.7 O=C(O)C1=NNC=C1 P9459 [0,0,0,0,0,0|2,0,1]=3 56 B8R1.7 O=C(O)C1=NOC=C1 I12360 [0,0,0,0,0,0|2,0,1]=3 57 B8R1.7 O=C(O)C1=NON=C1 X39804 [0,0,0,0,0,0|3,0,1]=4 58 B8R1.7 O=C(O)C1=NSC=C1 I6110 [0,0,0,0,0,0|2,0,1]=3 59 B8R1.7 O=C(O)C1CC=CC1 C11537 [0,0,0,0,0,0|2,0,2]=4 60 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [0,0,0,0,0,0|1,0,2]=3 61 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [0,0,0,0,0,0|1,0,2]=3 62 B8R1.7 O=C([O-])C1=CC=CS1 C2751 [0,0,0,0,0,0|2,0,0]=2 63 B8R1.7 O=C([O-])C1=CC=CS1 C41403 [0,0,0,0,0,0|2,0,0]=2 64 B8R1.7 O=C([O-])C1=NC=CO1 S40296 [0,0,0,0,0,0|2,0,1]=3 65 B8R1.7 O=[N+]([O-])C1=CN=CN1 N69288 [0,0,0,0,0,0|3,0,0]=3 66 B8R1.7 O=[N+]([O-])C1=CN=NN1 N61713 [0,0,0,0,0,0|4,0,0]=4 67 B8R1.7 O=[N+]([O-])C1=CNC=C1 N38853 [0,0,0,0,0,0|4,0,0]=4 68 B8R1.7 O=[N+]([O-])C1=NNC=C1 N22734 [0,0,0,0,0,0|3,0,1]=4 69 B8R1.7 O=[N+]([O-])N1C=CC=N1 N39824 [0,0,0,0,0,0|3,0,1]=4 70 B8R1.7 OB(O)C1=CC=CO1 F3580 [0,0,0,0,0,0|3,0,1]=4 71 B8R1.7 OB(O)C1=NC=CN1 I36795 [0,0,0,0,0,0|3,0,1]=4 72 B7R1.1 BrCC1=NC=CN1 B40117 [1,0,0,0,0,0|2,0,1]=4 73 B7R1.1 C#CC1=CC=CS1 E42371 [1,0,0,0,0,0|1,0,2]=4 74 B7R1.1 C=CC1=CC=CS1 V38168 [1,0,0,0,0,0|1,0,1]=3 75 B7R1.1 C=CC1=NC=CS1 V41009 [1,0,0,0,0,0|1,0,2]=4 76 B7R1.1 CCC1=NC=CN1 E68629 [1,0,0,0,0,0|1,0,1]=3 77 B7R1.1 CNC1=NC=CS1 M67793 [1,0,0,0,0,0|2,0,1]=4 78 B7R1.1 COC1=CC=CS1 M41123 [1,0,0,0,0,0|2,0,0]=3 79 B7R1.1 COC1=CSC=C1 M41124 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.1 COC1=NC=CS1 M2608 [1,0,0,0,0,0|2,0,1]=4 81 B7R1.1 CSC1=NC=CO1 M40164 [1,0,0,0,0,0|2,0,1]=4 82 B7R1.1 N#CC1=CC=CN1 P0691 [1,0,0,0,0,0|1,0,1]=3 83 B7R1.1 N#CC1=CC=CO1 F40652 [1,0,0,0,0,0|2,0,1]=4 84 B7R1.1 N#CC1=CC=CS1 T40685 [1,0,0,0,0,0|2,0,1]=4 85 B7R1.1 N#CC1=NC=CN1 I1797 [1,0,0,0,0,0|2,0,1]=4 86 B7R1.1 N#CC1=NC=CN1 I7356 [1,0,0,0,0,0|2,0,1]=4 87 B7R1.1 NCC1=CC=CN1 P41359 [1,0,0,0,0,0|1,0,1]=3 88 B7R1.1 NCC1=CC=CS1 A12813 [1,0,0,0,0,0|2,0,1]=4 89 B7R1.1 NCC1=CN=CN1 A69377 [1,0,0,0,0,0|2,0,1]=4 90 B7R1.1 NCC1=NC=CN1 A14237 [1,0,0,0,0,0|2,0,1]=4 91 B7R1.1 NCC1=NC=CN1 K40331 [1,0,0,0,0,0|2,0,1]=4 92 B7R1.1 O=CC1=CC=CN1 P64891 [1,0,0,0,0,0|0,0,0]=1 93 B7R1.1 O=CC1=CC=CS1 T68614 [1,0,0,0,0,0|1,0,0]=2 94 B7R1.1 O=CC1=CC=NO1 K40060 [1,0,0,0,0,0|2,0,0]=3 95 B7R1.1 O=CC1=CCCC1 C69466 [1,0,0,0,0,0|1,0,2]=4 96 B7R1.1 O=CC1=CN=CO1 X11928 [1,0,0,0,0,0|2,0,0]=3 97 B7R1.1 O=CC1=CN=CS1 T2161 [1,0,0,0,0,0|2,0,0]=3 98 B7R1.1 O=CC1=CNC=C1 P25022 [1,0,0,0,0,0|2,0,0]=3 99 B7R1.1 O=CC1=CNN=C1 P0675 [1,0,0,0,0,0|3,0,0]=4 100 B7R1.1 O=CC1=CNN=C1 P7759 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.1 O=CC1=COC=C1 F65465 [1,0,0,0,0,0|2,0,0]=3 102 B7R1.1 O=CC1=CSC=C1 T12697 [1,0,0,0,0,0|2,0,0]=3 103 B7R1.1 O=CC1=CSC=N1 T2159 [1,0,0,0,0,0|1,0,1]=3 104 B7R1.1 O=CC1=NC=CN1 F2135 [1,0,0,0,0,0|1,0,0]=2 105 B7R1.1 O=CC1=NC=CS1 T2877 [1,0,0,0,0,0|1,0,1]=3 106 B7R1.1 O=CC1=NNC=C1 P23454 [1,0,0,0,0,0|1,0,1]=3 107 B7R1.1 O=CC1=NOC=C1 I0114 [1,0,0,0,0,0|1,0,1]=3 108 B7R1.1 OCC1=CC=CS1 T12815 [1,0,0,0,0,0|1,0,2]=4 109 B7R1.1 OCC1=CN=CN1 I14077 [1,0,0,0,0,0|1,0,2]=4 110 B7R1.1 OCC1=NC=CN1 I38716 [1,0,0,0,0,0|1,0,2]=4 111 B9R1.11 CCC(=O)C1=NC=CS1 T43174 [0,1,0,0,0,0|1,0,1]=3 112 B9R1.11 CNC(=O)C1=CNN=C1 M13309 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.11 COC(=O)C1=CC=CN1 M11015 [0,1,0,0,0,0|0,0,0]=1 114 B9R1.11 COC(=O)C1=CC=CO1 M39270 [0,1,0,0,0,0|1,0,0]=2 115 B9R1.11 COC(=O)C1=CC=CS1 M42941 [0,1,0,0,0,0|1,0,0]=2 116 B9R1.11 COC(=O)C1=CC=NN1 M12748 [0,1,0,0,0,0|1,0,0]=2 117 B9R1.11 COC(=O)C1=CCCC1 M43720 [0,1,0,0,0,0|1,0,2]=4 118 B9R1.11 COC(=O)C1=CN=CN1 M14078 [0,1,0,0,0,0|1,0,0]=2 119 B9R1.11 COC(=O)C1=CN=CN1 M41348 [0,1,0,0,0,0|1,0,0]=2 120 B9R1.11 COC(=O)C1=CN=CO1 M40997 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.11 COC(=O)C1=CN=CS1 M2158 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.11 COC(=O)C1=CNC=C1 M37783 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.11 COC(=O)C1=CNN=C1 P8955 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.11 COC(=O)C1=CNN=N1 M40140 [0,1,0,0,0,0|2,0,1]=4 125 B9R1.11 COC(=O)C1=CSC=C1 M12826 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.11 COC(=O)C1=CSC=N1 M2932 [0,1,0,0,0,0|1,0,1]=3 127 B9R1.11 COC(=O)C1=NC=CN1 M11275 [0,1,0,0,0,0|1,0,0]=2 128 B9R1.11 COC(=O)C1=NC=CO1 M40998 [0,1,0,0,0,0|1,0,1]=3 129 B9R1.11 COC(=O)C1=NC=CS1 M40994 [0,1,0,0,0,0|1,0,1]=3 130 B9R1.11 COC(=O)C1=NNC=N1 M39151 [0,1,0,0,0,0|2,0,1]=4 131 B9R1.11 COC(=O)C1=NNN=C1 M40141 [0,1,0,0,0,0|2,0,1]=4 132 B9R1.11 COC(=O)C1CC=CC1 M13554 [0,1,0,0,0,0|1,0,2]=4 133 B9R1.11 NNC(=O)C1=CC=CO1 F66138 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.11 NNC(=O)C1=CC=NN1 P14697 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.11 N[C@@H](CO)C1=CC=CS1 A43554 [0,1,0,0,0,0|2,0,1]=4 136 B9R1.11 O=C(CBr)C1=CC=CS1 B42721 [0,1,0,0,0,0|1,0,0]=2 137 B9R1.11 O=C(CBr)C1=NC=CS1 B40844 [0,1,0,0,0,0|1,0,1]=3 138 B9R1.19 CC(C)(C)C1=NC=CN1 D1577 [0,1,0,0,0,0|2,0,1]=4 139 B9R1.19 CS(=O)(=O)C1=CC=CS1 M12814 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.19 NS(=O)(=O)C1=CC=CS1 T40161 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 T2651 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.19 O=S(=O)(O)C1=CC=CS1 T40111 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.35 CC(=O)C1=CC(Br)=CS1 B13699 [0,1,0,0,0,0|1,0,0]=2 144 B9R1.35 CC(=O)C1=CC(Cl)=CS1 A12844 [0,1,0,0,0,0|1,0,0]=2 145 B9R1.35 CC(=O)C1=CC(N)=NN1 A11043 [0,1,0,0,0,0|1,0,0]=2 146 B9R1.35 CC(=O)C1=CC=C(Br)S1 A12839 [0,1,0,0,0,0|1,0,0]=2 147 B9R1.35 CC(=O)C1=CC=C(C)S1 A46277 [0,1,0,0,0,0|1,0,0]=2 148 B9R1.35 CC(=O)C1=CN(C)N=C1 M3257 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.35 CC(=O)C1=CN=C(Br)S1 B32437 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.35 CC(=O)C1=CN=C(N)S1 A41052 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.35 CC(=O)C1=CNC(C)=C1 M46389 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.35 CC(=O)C1=CSC(Cl)=C1 A1568 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.35 CC(=O)C1=CSC(N)=N1 A41051 [0,1,0,0,0,0|1,0,1]=3 154 B9R1.35 CC(=O)C1=NC(C)=CO1 M43141 [0,1,0,0,0,0|1,0,1]=3 155 B9R1.35 CC(=O)C1=NC=C(Br)S1 B13063 [0,1,0,0,0,0|1,0,1]=3 156 B9R1.35 CC(=O)C1=NC=C(Cl)S1 C13062 [0,1,0,0,0,0|1,0,1]=3 157 B9R1.35 CC(=O)C1=NN(C)C=C1 A13629 [0,1,0,0,0,0|1,0,1]=3 158 B9R1.35 CC(=O)C1=NNC(C)=C1 M62065 [0,1,0,0,0,0|1,0,1]=3 159 B9R1.35 CC(=O)C1=NOC(C)=C1 M43142 [0,1,0,0,0,0|1,0,1]=3 160 B9R1.35 CC(=O)N1C=C(I)C=N1 I30035 [0,1,0,0,0,0|1,0,1]=3 161 B9R1.35 CC(=O)N1C=CC(=O)N1 A41035 [0,1,0,0,0,0|1,0,0]=2 162 B9R1.35 CC1=CC(C(=O)O)=CN1 M43147 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.35 CC1=CC(C(=O)O)=CS1 M5852 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.35 CC1=CC(C(=O)O)=NN1 M7890 [0,1,0,0,0,0|2,0,1]=4 165 B9R1.35 CC1=CC(C(=O)O)=NO1 M27266 [0,1,0,0,0,0|2,0,1]=4 166 B9R1.35 CC1=CC(C(N)=O)=NO1 M67790 [0,1,0,0,0,0|2,0,1]=4 167 B9R1.35 CC1=CC=C(C(=O)O)N1 M36732 [0,1,0,0,0,0|1,0,0]=2 168 B9R1.35 CC1=CC=C(C(=O)O)O1 M38051 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.35 CC1=CC=C(C(=O)O)S1 M42943 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.35 CC1=CN=C(C(=O)O)S1 M40996 [0,1,0,0,0,0|2,0,1]=4 171 B9R1.35 CC1=CN=C(C(=O)[O-])O1 S27747 [0,1,0,0,0,0|2,0,1]=4 172 B9R1.35 CC1=CSC(C(=O)O)=N1 M14993 [0,1,0,0,0,0|2,0,1]=4 173 B9R1.35 CC1=NC(C(=O)O)=CN1 M19958 [0,1,0,0,0,0|2,0,1]=4 174 B9R1.35 CC1=NC(C(=O)O)=CO1 M62066 [0,1,0,0,0,0|2,0,1]=4 175 B9R1.35 CC1=NC(C(=O)O)=CO1 M7132 [0,1,0,0,0,0|2,0,1]=4 176 B9R1.35 CC1=NC(C(=O)O)=CS1 M3047 [0,1,0,0,0,0|2,0,1]=4 177 B9R1.35 CC1=NC(C(N)=O)=CS1 M41050 [0,1,0,0,0,0|2,0,1]=4 178 B9R1.35 CC1=NC=C(C(=O)O)O1 M9856 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.35 CC1=NC=C(C(=O)O)S1 M5426 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.35 CC1=NC=C([N+](=O)[O-])N1 M68352 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.35 CC1=NNC([N+](=O)[O-])=C1 M23164 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.35 CC1=NOC(C(=O)O)=C1 M38698 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.35 CN(C)C1=CC(N)=NN1 D26644 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.35 CN1C=CC(C(=O)O)=C1 M43143 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.35 CN1C=CC(C(=O)O)=N1 M9460 [0,1,0,0,0,0|2,0,1]=4 186 B9R1.35 CN1C=CC(C(N)=O)=N1 M41144 [0,1,0,0,0,0|2,0,1]=4 187 B9R1.35 CN1C=NC(C(=O)O)=C1 M10536 [0,1,0,0,0,0|2,0,1]=4 188 B9R1.35 CN1C=NC(C(N)=O)=C1 M41145 [0,1,0,0,0,0|2,0,1]=4 189 B9R1.35 NC(=O)C1=CC(Br)=CN1 B40920 [0,1,0,0,0,0|1,0,0]=2 190 B9R1.35 NC(=O)C1=CC(Br)=CO1 B40829 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.35 NC(=O)C1=CC(Br)=CS1 B40841 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.35 NC(=O)C1=CC(O)=NO1 H40077 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.35 NC(=O)C1=CC=C(Br)N1 B8083 [0,1,0,0,0,0|1,0,0]=2 194 B9R1.35 NC(=O)C1=CC=C(Br)S1 B68782 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.35 NC(=O)C1=CN=C(Br)S1 B40041 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.35 NC(=O)C1=CSC(Br)=C1 B40843 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.35 NC(=O)C1=CSC(Br)=N1 B61895 [0,1,0,0,0,0|2,0,1]=4 198 B9R1.35 NC(=O)C1=CSC(N)=N1 A40145 [0,1,0,0,0,0|2,0,1]=4 199 B9R1.35 NC1=CC(C(=O)O)=NN1 A13351 [0,1,0,0,0,0|2,0,1]=4 200 B9R1.35 NC1=CN=C(C(=O)O)S1 A14284 [0,1,0,0,0,0|2,0,1]=4 201 B9R1.35 NC1=CN=C(C(=O)O)S1 A7363 [0,1,0,0,0,0|2,0,1]=4 202 B9R1.35 NC1=CNC(C(=O)O)=N1 A20425 [0,1,0,0,0,0|2,0,0]=3 203 B9R1.35 NC1=NC(C(=O)O)=CO1 A11266 [0,1,0,0,0,0|2,0,1]=4 204 B9R1.35 NC1=NC(C(=O)O)=CS1 A2115 [0,1,0,0,0,0|2,0,1]=4 205 B9R1.35 NC1=NC(C(=O)O)=CS1 A4882 [0,1,0,0,0,0|2,0,1]=4 206 B9R1.35 NC1=NC=C(C(=O)O)S1 A3492 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.35 NC1=NN=C(C(=O)O)N1 A39136 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.35 NC1=NNC([N+](=O)[O-])=C1 N13776 [0,1,0,0,0,0|3,0,0]=4 209 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 C40558 [0,1,0,0,0,0|2,0,0]=3 210 B9R1.35 O=C(O)C1=CC(Br)=CN1 B40831 [0,1,0,0,0,0|1,0,0]=2 211 B9R1.35 O=C(O)C1=CC(Br)=CO1 B13536 [0,1,0,0,0,0|2,0,0]=3 212 B9R1.35 O=C(O)C1=CC(Br)=CS1 B3026 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.35 O=C(O)C1=CC(Br)=NO1 I24762 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.35 O=C(O)C1=CC(Cl)=CS1 C12488 [0,1,0,0,0,0|2,0,0]=3 215 B9R1.35 O=C(O)C1=CC(O)=NO1 H37322 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.35 O=C(O)C1=CC=C(Br)O1 B4712 [0,1,0,0,0,0|2,0,0]=3 217 B9R1.35 O=C(O)C1=CC=C(Br)S1 B12755 [0,1,0,0,0,0|2,0,0]=3 218 B9R1.35 O=C(O)C1=CC=C(Cl)O1 C40690 [0,1,0,0,0,0|2,0,0]=3 219 B9R1.35 O=C(O)C1=CC=C(Cl)S1 C10492 [0,1,0,0,0,0|2,0,0]=3 220 B9R1.35 O=C(O)C1=CC=C(F)S1 F7718 [0,1,0,0,0,0|2,0,0]=3 221 B9R1.35 O=C(O)C1=CC=C(I)S1 K40688 [0,1,0,0,0,0|2,0,0]=3 222 B9R1.35 O=C(O)C1=CN=C(Br)O1 B32073 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.35 O=C(O)C1=CN=C(Br)S1 B2125 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.35 O=C(O)C1=CN=C(Cl)S1 C2765 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.35 O=C(O)C1=COC(Br)=C1 B69658 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.35 O=C(O)C1=COC(Br)=N1 B15227 [0,1,0,0,0,0|2,0,1]=4 227 B9R1.35 O=C(O)C1=COC(Cl)=N1 C15228 [0,1,0,0,0,0|2,0,1]=4 228 B9R1.35 O=C(O)C1=CSC(Br)=C1 B12752 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.35 O=C(O)C1=CSC(Br)=N1 B2124 [0,1,0,0,0,0|2,0,1]=4 230 B9R1.35 O=C(O)C1=CSC(Cl)=C1 C7720 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.35 O=C(O)C1=CSC(Cl)=N1 C2862 [0,1,0,0,0,0|2,0,1]=4 232 B9R1.35 O=C(O)C1=CSC(F)=C1 F15451 [0,1,0,0,0,0|3,0,0]=4 233 B9R1.35 O=C(O)C1=NC(Br)=CS1 B7895 [0,1,0,0,0,0|2,0,1]=4 234 B9R1.35 O=C(O)C1=NC=C(Br)S1 B10955 [0,1,0,0,0,0|2,0,1]=4 235 B9R1.35 O=C(O)C1=NC=C(Cl)S1 C13056 [0,1,0,0,0,0|2,0,1]=4 236 B9R1.35 O=C(O)C1=NNC(Br)=C1 B18673 [0,1,0,0,0,0|2,0,1]=4 237 B9R1.35 O=C(O)C1=NNC(Cl)=C1 C26046 [0,1,0,0,0,0|2,0,1]=4 238 B9R1.35 O=C(O)C1=NNC(O)=C1 H40078 [0,1,0,0,0,0|2,0,1]=4 239 B9R1.35 O=C1NC=C(C(=O)O)N1 X40079 [0,1,0,0,0,0|2,0,0]=3 240 B9R1.35 O=[N+]([O-])C1=CC(Br)=CS1 B40013 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.35 O=[N+]([O-])C1=CC(Cl)=NN1 C39807 [0,1,0,0,0,0|3,0,0]=4 242 B9R1.35 O=[N+]([O-])C1=CC=C(Br)S1 B40011 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.35 O=[N+]([O-])C1=CN=C(Cl)N1 C24345 [0,1,0,0,0,0|3,0,0]=4 244 B9R1.41 CC(=O)C1=C(C)N=CS1 M63978 [0,1,0,0,0,0|2,0,0]=3 245 B9R1.41 CC(=O)C1=C(C)SC=N1 M43176 [0,1,0,0,0,0|1,0,1]=3 246 B9R1.41 CC(=O)C1=CN=CN1C M43213 [0,1,0,0,0,0|1,0,0]=2 247 B9R1.41 CC(=O)C1=CNC=C1C M67633 [0,1,0,0,0,0|2,0,0]=3 248 B9R1.41 CC(=O)C1=NC=CN1C A1591 [0,1,0,0,0,0|1,0,0]=2 249 B9R1.41 CC(C)C1=C(Br)C=NN1 B12019 [0,1,0,0,0,0|2,0,1]=4 250 B9R1.41 CC1=C(C(=O)O)C=CN1 M39104 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.41 CC1=C(C(=O)O)C=CO1 M63194 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.41 CC1=C(C(=O)O)C=CS1 M36640 [0,1,0,0,0,0|3,0,0]=4 253 B9R1.41 CC1=C(C(=O)O)N=CO1 M3158 [0,1,0,0,0,0|2,0,1]=4 254 B9R1.41 CC1=C(C(=O)O)N=CS1 M3491 [0,1,0,0,0,0|2,0,1]=4 255 B9R1.41 CC1=C(C(=O)O)NC=C1 M43146 [0,1,0,0,0,0|1,0,0]=2 256 B9R1.41 CC1=C(C(=O)O)OC=C1 M42945 [0,1,0,0,0,0|2,0,0]=3 257 B9R1.41 CC1=C(C(=O)O)OC=N1 M38000 [0,1,0,0,0,0|3,0,0]=4 258 B9R1.41 CC1=C(C(=O)O)ON=C1 M40999 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.41 CC1=C(C(=O)O)SC=C1 M42942 [0,1,0,0,0,0|2,0,0]=3 260 B9R1.41 CC1=C(C(=O)O)SC=N1 M67956 [0,1,0,0,0,0|3,0,0]=4 261 B9R1.41 CC1=C([N+](=O)[O-])NC=N1 M40137 [0,1,0,0,0,0|3,0,0]=4 262 B9R1.41 CC1=CNN=C1C(=O)O M41036 [0,1,0,0,0,0|2,0,1]=4 263 B9R1.41 CC1=CSC=C1C(=O)O M25374 [0,1,0,0,0,0|3,0,0]=4 264 B9R1.41 CN1C=CC=C1C(=O)O M68591 [0,1,0,0,0,0|1,0,0]=2 265 B9R1.41 CN1C=CN=C1C(=N)N M0674 [0,1,0,0,0,0|3,0,0]=4 266 B9R1.41 CN1C=CN=C1C(=O)O M12222 [0,1,0,0,0,0|2,0,0]=3 267 B9R1.41 CN1C=NC=C1C(=O)O M2857 [0,1,0,0,0,0|2,0,0]=3 268 B9R1.41 CN1C=NC=C1[N+](=O)[O-] M40135 [0,1,0,0,0,0|3,0,0]=4 269 B9R1.41 CN1N=CC=C1C(=O)O M3734 [0,1,0,0,0,0|2,0,0]=3 270 B9R1.41 CN1N=NC=C1C(=O)O M40142 [0,1,0,0,0,0|3,0,0]=4 271 B9R1.41 NC(=O)C1=C(N)NC=N1 A67139 [0,1,0,0,0,0|2,0,1]=4 272 B9R1.41 NC(=O)C1=C(N)NC=N1 A67250 [0,1,0,0,0,0|2,0,1]=4 273 B9R1.41 NC(=O)C1=C(N)SC=C1 A41049 [0,1,0,0,0,0|3,0,0]=4 274 B9R1.41 NC(=O)C1=C(N)SC=N1 A40146 [0,1,0,0,0,0|2,0,1]=4 275 B9R1.41 NC(=O)C1=CC=CN1N A5122 [0,1,0,0,0,0|1,0,0]=2 276 B9R1.41 NC(=O)C1=CSC=C1Br B40842 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.41 NC(=O)C1=NNC=C1Br B9734 [0,1,0,0,0,0|2,0,1]=4 278 B9R1.41 NC1=CNN=C1C(=O)O A40139 [0,1,0,0,0,0|2,0,1]=4 279 B9R1.41 O=C(O)C1=C(Br)C=CO1 B40689 [0,1,0,0,0,0|2,0,0]=3 280 B9R1.41 O=C(O)C1=C(Br)C=CS1 B10327 [0,1,0,0,0,0|2,0,0]=3 281 B9R1.41 O=C(O)C1=C(Br)C=NN1 B40030 [0,1,0,0,0,0|2,0,0]=3 282 B9R1.41 O=C(O)C1=C(Br)OC=N1 B37246 [0,1,0,0,0,0|2,0,1]=4 283 B9R1.41 O=C(O)C1=C(Br)SC=C1 B37969 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.41 O=C(O)C1=C(Br)SC=N1 B3211 [0,1,0,0,0,0|2,0,1]=4 285 B9R1.41 O=C(O)C1=C(Cl)C=CS1 C12482 [0,1,0,0,0,0|2,0,0]=3 286 B9R1.41 O=C(O)C1=C(Cl)C=NN1 C38651 [0,1,0,0,0,0|2,0,0]=3 287 B9R1.41 O=C(O)C1=C(Cl)C=NS1 C40015 [0,1,0,0,0,0|3,0,0]=4 288 B9R1.41 O=C(O)C1=C(Cl)SC=C1 C40686 [0,1,0,0,0,0|3,0,0]=4 289 B9R1.41 O=C(O)C1=C(F)C=CS1 F40687 [0,1,0,0,0,0|2,0,0]=3 290 B9R1.41 O=C(O)C1=C(I)C=NN1 K40036 [0,1,0,0,0,0|2,0,0]=3 291 B9R1.41 O=C(O)C1=C(O)C=CS1 H40863 [0,1,0,0,0,0|2,0,0]=3 292 B9R1.41 O=C(O)C1=CSC=C1Br B11526 [0,1,0,0,0,0|3,0,0]=4 293 B9R1.41 O=C(O)C1=NNC=C1Br B3819 [0,1,0,0,0,0|2,0,1]=4 294 B9R1.41 O=[N+]([O-])C1=C(Br)C=CS1 B40012 [0,1,0,0,0,0|3,0,0]=4 295 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [0,0,1,0,0,0|1,0,2]=4 296 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [0,0,1,0,0,0|1,0,2]=4 297 B9R2.2 C1=CNC(C2CC2)=N1 C1576 [0,0,0,1,0,0|2,0,1]=4 298 B9R1.6 CC(=O)C1=CN=CN=C1 A7446 [0,0,0,0,0,1|1,0,1]=3 299 B9R1.6 CC(=O)C1=CN=NC=C1 A10222 [0,0,0,0,0,1|1,0,1]=3 300 B9R1.6 CC(=O)C1=NC=CC=N1 A8017 [0,0,0,0,0,1|0,0,1]=2 301 B9R1.6 CC(=O)C1=NC=CN=C1 A39262 [0,0,0,0,0,1|0,0,1]=2 302 B9R1.6 CC(=O)C1=NC=NC=C1 A12246 [0,0,0,0,0,1|0,0,1]=2 303 B9R1.6 CC(=O)C1=NN=CC=C1 P0157 [0,0,0,0,0,1|0,0,1]=2 304 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [0,0,0,0,0,1|1,0,2]=4 305 B9R1.6 CN(C)C1=CC=NC=C1 P68104 [0,0,0,0,0,1|3,0,0]=4 306 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [0,0,0,0,0,1|2,0,1]=4 307 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [0,0,0,0,0,1|1,0,2]=4 308 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P43606 [0,0,0,0,0,1|2,0,1]=4 309 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P46584 [0,0,0,0,0,1|2,0,1]=4 310 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [0,0,0,0,0,1|1,0,2]=4 311 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [0,0,0,0,0,1|1,0,2]=4 312 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [0,0,0,0,0,1|1,0,2]=4 313 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [0,0,0,0,0,1|1,0,2]=4 314 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [0,0,0,0,0,1|0,0,3]=4 315 B9R1.6 C[C@H](Br)C1=NC=CN=C1 B42963 [0,0,0,0,0,1|1,0,2]=4 316 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [0,0,0,0,0,1|2,0,1]=4 317 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [0,0,0,0,0,1|2,0,1]=4 318 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [0,0,0,0,0,1|1,0,2]=4 319 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [0,0,0,0,0,1|1,0,2]=4 320 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [0,0,0,0,0,1|1,0,2]=4 321 B9R1.6 C[C@H](N)C1=CC=NC=C1 P43607 [0,0,0,0,0,1|2,0,1]=4 322 B9R1.6 C[C@H](N)C1=CC=NC=C1 P46582 [0,0,0,0,0,1|2,0,1]=4 323 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [0,0,0,0,0,1|1,0,2]=4 324 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [0,0,0,0,0,1|1,0,2]=4 325 B9R1.6 C[C@H](N)C1=NC=CC=N1 P36807 [0,0,0,0,0,1|1,0,2]=4 326 B9R1.6 C[C@H](N)C1=NC=CN=C1 P14583 [0,0,0,0,0,1|1,0,2]=4 327 B9R1.6 C[C@H](N)C1=NC=NC=C1 A12259 [0,0,0,0,0,1|1,0,2]=4 328 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [0,0,0,0,0,1|1,0,2]=4 329 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [0,0,0,0,0,1|1,0,2]=4 330 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [0,0,0,0,0,1|0,0,3]=4 331 B9R1.6 C[C@H](O)C1=NC=CN=C1 P43187 [0,0,0,0,0,1|0,0,3]=4 332 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [0,0,0,0,0,1|2,0,0]=3 333 B9R1.6 C[S@](=O)C1=NC=CC=C1 M43172 [0,0,0,0,0,1|1,0,1]=3 334 B9R1.6 C[S@](=O)C1=NC=CC=N1 M41047 [0,0,0,0,0,1|1,0,1]=3 335 B9R1.6 N=C(N)C1=CC=CC=C1 B39428 [0,0,0,0,0,1|3,0,0]=4 336 B9R1.6 N=C(N)C1=CC=CN=C1 N43530 [0,0,0,0,0,1|2,0,1]=4 337 B9R1.6 N=C(N)C1=CC=NC=C1 N43531 [0,0,0,0,0,1|3,0,0]=4 338 B9R1.6 N=C(N)C1=NC=CC=C1 A3829 [0,0,0,0,0,1|2,0,1]=4 339 B9R1.6 N=C(N)C1=NC=CC=C1 P43087 [0,0,0,0,0,1|2,0,1]=4 340 B9R1.6 N=C(N)C1=NC=CC=N1 A32287 [0,0,0,0,0,1|2,0,1]=4 341 B9R1.6 N=C(N)C1=NC=CC=N1 P41095 [0,0,0,0,0,1|2,0,1]=4 342 B9R1.6 N=C(N)C1=NC=CC=N1 P43594 [0,0,0,0,0,1|2,0,1]=4 343 B9R1.6 N=C(N)C1=NC=CN=C1 P60819 [0,0,0,0,0,1|2,0,1]=4 344 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [0,0,0,0,0,1|2,0,0]=3 345 B9R1.6 NC(=O)C1=NC=CC=C1 P60877 [0,0,0,0,0,1|1,0,1]=3 346 B9R1.6 NC(=O)C1=NC=NC=C1 P40959 [0,0,0,0,0,1|1,0,1]=3 347 B9R1.6 O=C(Cl)C1=CC=NC=C1 N39246 [0,0,0,0,0,1|2,0,0]=3 348 B9R1.6 O=C(Cl)C1=CN=CN=C1 P0798 [0,0,0,0,0,1|2,0,1]=4 349 B9R1.6 O=C(Cl)C1=NC=CC=C1 P42299 [0,0,0,0,0,1|1,0,1]=3 350 B9R1.6 O=C(O)C1=CN=CN=C1 P2410 [0,0,0,0,0,1|2,0,1]=4 351 B9R1.6 O=C(O)C1=CN=NC=C1 P3453 [0,0,0,0,0,1|2,0,1]=4 352 B9R1.6 O=C(O)C1=NC=CC=C1 P62145 [0,0,0,0,0,1|1,0,1]=3 353 B9R1.6 O=C(O)C1=NC=CC=N1 P5589 [0,0,0,0,0,1|1,0,1]=3 354 B9R1.6 O=C(O)C1=NC=CN=C1 P2716 [0,0,0,0,0,1|1,0,1]=3 355 B9R1.6 O=C(O)C1=NC=NC=C1 P4579 [0,0,0,0,0,1|1,0,1]=3 356 B9R1.6 O=C(O)C1=NN=CC=C1 P3149 [0,0,0,0,0,1|1,0,1]=3 357 B9R1.6 O=C([O-])C1=NN=CC=N1 T61631 [0,0,0,0,0,1|2,0,1]=4 358 B9R1.6 O=[S@]([O-])C1=CC=CC=C1 S68689 [0,0,0,0,0,1|3,0,0]=4 359 B9R1.13 CC(=O)NC1=CSC=C1 T43173 [0,0,0,0,0,1|2,0,0]=3 360 B9R1.13 O=C(Cl)CC1=CC=CS1 T39261 [0,0,0,0,0,1|2,0,0]=3 361 B9R1.13 O=C(O)CC1=CC=CO1 F42944 [0,0,0,0,0,1|2,0,0]=3 362 B9R1.13 O=C(O)CC1=CC=CS1 T12816 [0,0,0,0,0,1|2,0,0]=3 363 B9R1.13 O=C(O)CC1=CSC=C1 T12830 [0,0,0,0,0,1|3,0,0]=4 364 B9R1.13 O=C(O)CC1=NC=CN1 I38240 [0,0,0,0,0,1|2,0,0]=3 365 B9R1.13 O=C(O)CC1=NC=CS1 T15370 [0,0,0,0,0,1|2,0,1]=4 366 B9R1.13 O=C(O)CC1=NC=NN1 H11339 [0,0,0,0,0,1|3,0,0]=4 367 B9R1.13 O=C(O)CC1=NNC=C1 P41346 [0,0,0,0,0,1|2,0,1]=4 368 B9R1.13 O=C(O)CN1C=CC=N1 P41032 [0,0,0,0,0,1|2,0,1]=4 369 B6R0.4 C=C\C=C/C(=O)O P41118 [1,0,1,0,0,0|1,0,0]=3 370 B6R0.4 COC=CC(C)=O M41222 [1,0,1,0,0,0|1,0,1]=4 371 B6R0.6 C\C=C\C=C\CO H69109 [1,0,1,0,0,0|1,0,1]=4 372 B6R0.3 C=C[C@H](N)C(=O)O A40334 [1,0,1,0,0,0|1,0,1]=4 373 B6R1.2 BrC1=CC=CS1 B69329 [2,0,0,0,0,0|2,0,0]=4 374 B6R1.2 BrC1=CC=NN1 B10788 [2,0,0,0,0,0|2,0,0]=4 375 B6R1.2 BrC1=CC=NN1 B37723 [2,0,0,0,0,0|2,0,0]=4 376 B6R1.2 BrC1=NC=CN1 B2807 [2,0,0,0,0,0|2,0,0]=4 377 B6R1.2 CC1=CC=CN1 M37933 [2,0,0,0,0,0|0,0,0]=2 378 B6R1.2 CC1=CC=CS1 M39179 [2,0,0,0,0,0|1,0,0]=3 379 B6R1.2 CC1=CC=NO1 M24354 [2,0,0,0,0,0|2,0,0]=4 380 B6R1.2 CC1=CN=CS1 M40166 [2,0,0,0,0,0|2,0,0]=4 381 B6R1.2 CC1=CNC=C1 M14657 [2,0,0,0,0,0|2,0,0]=4 382 B6R1.2 CC1=COC=N1 M13405 [2,0,0,0,0,0|1,0,1]=4 383 B6R1.2 CC1=CSC=N1 M24933 [2,0,0,0,0,0|1,0,1]=4 384 B6R1.2 CC1=NC=CS1 M40165 [2,0,0,0,0,0|1,0,1]=4 385 B6R1.2 CC1=NN=CN1 M15832 [2,0,0,0,0,0|2,0,0]=4 386 B6R1.2 CC1=NNC=C1 M36663 [2,0,0,0,0,0|1,0,1]=4 387 B6R1.2 CC1=NOC=C1 M40157 [2,0,0,0,0,0|1,0,1]=4 388 B6R1.2 CN1C=CC=N1 M12066 [2,0,0,0,0,0|1,0,1]=4 389 B6R1.2 ClC1=CC=NN1 C10789 [2,0,0,0,0,0|2,0,0]=4 390 B6R1.2 ClC1=CC=NN1 C39819 [2,0,0,0,0,0|2,0,0]=4 391 B6R1.2 ClC1=CN=CN1 C38031 [2,0,0,0,0,0|2,0,0]=4 392 B6R1.2 ClC1=NC=CN1 C38255 [2,0,0,0,0,0|2,0,0]=4 393 B6R1.2 FC1=CC=NN1 F13459 [2,0,0,0,0,0|2,0,0]=4 394 B6R1.2 IC1=CC=CS1 K39149 [2,0,0,0,0,0|2,0,0]=4 395 B6R1.2 IC1=CC=NN1 K39821 [2,0,0,0,0,0|2,0,0]=4 396 B6R1.2 IC1=CN=CN1 I2351 [2,0,0,0,0,0|2,0,0]=4 397 B6R1.2 NC1=CC=NN1 P61114 [2,0,0,0,0,0|2,0,0]=4 398 B6R1.2 NC1=CN=CN1 I37101 [2,0,0,0,0,0|2,0,0]=4 399 B6R1.2 NC1=NC=CN1 A28762 [2,0,0,0,0,0|2,0,0]=4 400 B6R1.2 NC1=NC=CN1 A39803 [2,0,0,0,0,0|2,0,0]=4 401 B6R1.2 O=C1C=CCC1 C26583 [2,0,0,0,0,0|1,0,1]=4 402 B6R1.2 O=C1C=CCO1 F5673 [2,0,0,0,0,0|1,0,1]=4 403 B6R1.2 O=C1C=CNN1 P32282 [2,0,0,0,0,0|1,0,0]=3 404 B6R1.2 O=C1C=CSN1 T60536 [2,0,0,0,0,0|1,0,0]=3 405 B6R1.2 O=C1CC=CC1 C19712 [2,0,0,0,0,0|1,0,1]=4 406 B6R1.2 O=C1CC=NN1 P39834 [2,0,0,0,0,0|1,0,1]=4 407 B6R1.2 O=C1NC=CN1 K39835 [2,0,0,0,0,0|1,0,0]=3 408 B6R1.2 O=C1NC=CO1 X39828 [2,0,0,0,0,0|1,0,0]=3 409 B8R0.3 C=CC[C@H](N)C(=O)OC M37082 [0,1,1,0,0,0|0,0,2]=4 410 B8R1.1 CC1=CC(C=O)=CS1 M29797 [1,1,0,0,0,0|2,0,0]=4 411 B8R1.1 CC1=CC(C=O)=NN1 M41030 [1,1,0,0,0,0|1,0,1]=4 412 B8R1.1 CC1=CC=C(C#N)N1 M32172 [1,1,0,0,0,0|1,0,1]=4 413 B8R1.1 CC1=CC=C(C=O)N1 M43134 [1,1,0,0,0,0|0,0,0]=2 414 B8R1.1 CC1=CC=C(C=O)S1 M39272 [1,1,0,0,0,0|1,0,0]=3 415 B8R1.1 CC1=CN=C(C=O)S1 M19270 [1,1,0,0,0,0|1,0,1]=4 416 B8R1.1 CC1=COC(C=O)=C1 M13538 [1,1,0,0,0,0|1,0,0]=3 417 B8R1.1 CC1=COC(C=O)=N1 M12937 [1,1,0,0,0,0|1,0,1]=4 418 B8R1.1 CC1=CSC(C=O)=C1 M42959 [1,1,0,0,0,0|1,0,0]=3 419 B8R1.1 CC1=CSC(C=O)=N1 M14992 [1,1,0,0,0,0|1,0,1]=4 420 B8R1.1 CC1=NC(C=O)=CO1 M3278 [1,1,0,0,0,0|1,0,1]=4 421 B8R1.1 CC1=NC(C=O)=CS1 F2075 [1,1,0,0,0,0|1,0,1]=4 422 B8R1.1 CC1=NC=C(C=O)S1 F2897 [1,1,0,0,0,0|2,0,0]=4 423 B8R1.1 CCC1=CC=C(C)S1 E43745 [1,1,0,0,0,0|1,0,1]=4 424 B8R1.1 CCC1=CN=C(C)N1 E41428 [1,1,0,0,0,0|1,0,1]=4 425 B8R1.1 CN1C=CC(C=O)=N1 M22764 [1,1,0,0,0,0|1,0,1]=4 426 B8R1.1 CN1C=NC(C=O)=C1 M11287 [1,1,0,0,0,0|1,0,1]=4 427 B8R1.1 COC1=CC(N)=NN1 M0643 [1,1,0,0,0,0|2,0,0]=4 428 B8R1.1 COC1=CC(N)=NN1 M13731 [1,1,0,0,0,0|2,0,0]=4 429 B8R1.1 N#CC1=CC(Br)=CN1 B62203 [1,1,0,0,0,0|1,0,1]=4 430 B8R1.1 N#CC1=CC(Cl)=CN1 C40566 [1,1,0,0,0,0|1,0,1]=4 431 B8R1.1 NC1=NC=C(C=O)S1 A2114 [1,1,0,0,0,0|2,0,0]=4 432 B8R1.1 NC1=NC=C(C=O)S1 A40321 [1,1,0,0,0,0|2,0,0]=4 433 B8R1.1 O=CC1=CC(Br)=CN1 B38751 [1,1,0,0,0,0|0,0,0]=2 434 B8R1.1 O=CC1=CC(Br)=CO1 B13537 [1,1,0,0,0,0|1,0,0]=3 435 B8R1.1 O=CC1=CC(Br)=CS1 B12758 [1,1,0,0,0,0|1,0,0]=3 436 B8R1.1 O=CC1=CC(Cl)=CN1 C14574 [1,1,0,0,0,0|0,0,0]=2 437 B8R1.1 O=CC1=CC(Cl)=CS1 C12489 [1,1,0,0,0,0|1,0,0]=3 438 B8R1.1 O=CC1=CC(I)=CN1 K40861 [1,1,0,0,0,0|0,0,0]=2 439 B8R1.1 O=CC1=CC(I)=CS1 K40696 [1,1,0,0,0,0|1,0,0]=3 440 B8R1.1 O=CC1=CC=C(Br)N1 B67724 [1,1,0,0,0,0|0,0,0]=2 441 B8R1.1 O=CC1=CC=C(Br)O1 B67849 [1,1,0,0,0,0|1,0,0]=3 442 B8R1.1 O=CC1=CC=C(Br)S1 B10476 [1,1,0,0,0,0|1,0,0]=3 443 B8R1.1 O=CC1=CC=C(Cl)O1 C38278 [1,1,0,0,0,0|1,0,0]=3 444 B8R1.1 O=CC1=CC=C(Cl)S1 C7717 [1,1,0,0,0,0|1,0,0]=3 445 B8R1.1 O=CC1=CN=C(Br)S1 B2119 [1,1,0,0,0,0|2,0,0]=4 446 B8R1.1 O=CC1=CN=C(Cl)S1 C5784 [1,1,0,0,0,0|2,0,0]=4 447 B8R1.1 O=CC1=CSC(Br)=C1 B12754 [1,1,0,0,0,0|2,0,0]=4 448 B8R1.1 O=CC1=CSC(Br)=N1 B2118 [1,1,0,0,0,0|1,0,1]=4 449 B8R1.1 O=CC1=CSC(Cl)=C1 C1739 [1,1,0,0,0,0|2,0,0]=4 450 B8R1.1 O=CC1=CSC(Cl)=N1 C2764 [1,1,0,0,0,0|1,0,1]=4 451 B8R1.1 O=CC1=NC(Br)=CS1 B2070 [1,1,0,0,0,0|1,0,1]=4 452 B8R1.1 O=CC1=NC=C(Br)S1 B2465 [1,1,0,0,0,0|1,0,1]=4 453 B8R1.1 O=CC1=NC=C(Cl)S1 C9512 [1,1,0,0,0,0|1,0,1]=4 454 B8R1.8 CCCC1=CC=CS1 P43744 [1,1,0,0,0,0|1,0,1]=4 455 B8R1.8 CCCC1=NC=CN1 P68616 [1,1,0,0,0,0|1,0,1]=4 456 B8R1.8 CNCC1=CC=CS1 M43398 [1,1,0,0,0,0|1,0,1]=4 457 B8R1.8 NCCC1=CC=CS1 T12818 [1,1,0,0,0,0|1,0,1]=4 458 B8R1.8 NCCC1=NC=CN1 K41400 [1,1,0,0,0,0|1,0,1]=4 459 B8R1.8 OCCC1=CC=CS1 T12817 [1,1,0,0,0,0|1,0,1]=4 460 B8R1.8 OCCC1=CN=CN1 K41362 [1,1,0,0,0,0|1,0,1]=4 461 B8R1.11 CC1=C(C=O)N=CN1 M41031 [1,1,0,0,0,0|1,0,1]=4 462 B8R1.11 CC1=C(C=O)N=CS1 M41008 [1,1,0,0,0,0|1,0,1]=4 463 B8R1.11 CC1=C(C=O)NC=C1 M63105 [1,1,0,0,0,0|0,0,0]=2 464 B8R1.11 CC1=C(C=O)SC=C1 M39271 [1,1,0,0,0,0|1,0,0]=3 465 B8R1.11 CC1=C(C=O)SC=N1 M41007 [1,1,0,0,0,0|2,0,0]=4 466 B8R1.11 CC1=CSC=C1C=O M29934 [1,1,0,0,0,0|2,0,0]=4 467 B8R1.11 CCC1=NC=CN1C E46632 [1,1,0,0,0,0|1,0,1]=4 468 B8R1.11 CN1C=CC=C1C#N M61385 [1,1,0,0,0,0|1,0,1]=4 469 B8R1.11 CN1C=CC=C1C=O M17296 [1,1,0,0,0,0|0,0,0]=2 470 B8R1.11 CN1C=CC=C1CN M41429 [1,1,0,0,0,0|1,0,1]=4 471 B8R1.11 CN1C=CN=C1C=O M14037 [1,1,0,0,0,0|1,0,0]=3 472 B8R1.11 CN1N=CC=C1C=O M12515 [1,1,0,0,0,0|1,0,0]=3 473 B8R1.11 CN1N=NC=C1C=O M40133 [1,1,0,0,0,0|2,0,0]=4 474 B8R1.11 N#CC1=CC=CN1N A10503 [1,1,0,0,0,0|1,0,1]=4 475 B8R1.11 O=CC1=C(Br)C=CN1 B14575 [1,1,0,0,0,0|0,0,0]=2 476 B8R1.11 O=CC1=C(Br)C=CO1 B6471 [1,1,0,0,0,0|1,0,0]=3 477 B8R1.11 O=CC1=C(Br)C=CS1 B14081 [1,1,0,0,0,0|1,0,0]=3 478 B8R1.11 O=CC1=C(Br)NC=N1 B40040 [1,1,0,0,0,0|1,0,1]=4 479 B8R1.11 O=CC1=C(Br)SC=C1 B38048 [1,1,0,0,0,0|2,0,0]=4 480 B8R1.11 O=CC1=C(Cl)C=CN1 C14573 [1,1,0,0,0,0|0,0,0]=2 481 B8R1.11 O=CC1=C(Cl)C=CS1 C14086 [1,1,0,0,0,0|1,0,0]=3 482 B8R1.11 O=CC1=C(Cl)N=CS1 C40016 [1,1,0,0,0,0|2,0,0]=4 483 B8R1.11 O=CC1=C(Cl)SC=C1 C40693 [1,1,0,0,0,0|2,0,0]=4 484 B8R1.11 O=CC1=C(I)SC=C1 K40695 [1,1,0,0,0,0|2,0,0]=4 485 B8R1.11 O=CC1=CSC=C1Br B40692 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.13 C=C(C)C1=CC=C(F)C=C1 F51670 [0,1,0,0,0,1|2,0,0]=4 487 B10R1.13 C=C(C)C1=CC=C(O)C=C1 P49877 [0,1,0,0,0,1|2,0,0]=4 488 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [0,1,0,0,0,1|1,0,0]=3 489 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [0,1,0,0,0,1|1,0,0]=3 490 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [0,1,0,0,0,1|1,0,0]=3 491 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [0,1,0,0,0,1|1,0,0]=3 492 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [0,1,0,0,0,1|1,0,0]=3 493 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [0,1,0,0,0,1|1,0,0]=3 494 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 B3106 [0,1,0,0,0,1|0,0,1]=3 495 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [0,1,0,0,0,1|0,0,1]=3 496 B10R1.13 CC(=O)C1=CN=C(C)N=C1 M13671 [0,1,0,0,0,1|1,0,1]=4 497 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 A24257 [0,1,0,0,0,1|0,0,1]=3 498 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 C16565 [0,1,0,0,0,1|1,0,1]=4 499 B10R1.13 CC(=O)C1=CN=C(F)C=C1 F45498 [0,1,0,0,0,1|0,0,1]=3 500 B10R1.13 CC(=O)C1=CN=C(N)C=C1 A22139 [0,1,0,0,0,1|0,0,1]=3 501 B10R1.13 CC(=O)C1=CN=C(N)N=C1 A43099 [0,1,0,0,0,1|1,0,1]=4 502 B10R1.13 CC(=O)C1=CNC(=O)C=C1 A67563 [0,1,0,0,0,1|0,0,0]=2 503 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 B22347 [0,1,0,0,0,1|0,0,1]=3 504 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 B11274 [0,1,0,0,0,1|0,0,1]=3 505 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [0,1,0,0,0,1|0,0,1]=3 506 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 C26822 [0,1,0,0,0,1|0,0,1]=3 507 B10R1.13 CC(=O)C1=NC=C(F)C=N1 F9990 [0,1,0,0,0,1|0,0,1]=3 508 B10R1.13 CC(=O)C1=NC=C(O)C=C1 H45820 [0,1,0,0,0,1|0,0,1]=3 509 B10R1.13 CC(=O)C1=NC=C(O)N=C1 H42776 [0,1,0,0,0,1|0,0,1]=3 510 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 A15077 [0,1,0,0,0,1|0,0,1]=3 511 B10R1.13 CC1=CC=C(C(=O)O)C=C1 M64877 [0,1,0,0,0,1|2,0,0]=4 512 B10R1.13 CC1=CC=C(C(N)=O)C=C1 M39514 [0,1,0,0,0,1|2,0,0]=4 513 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [0,1,0,0,0,1|2,0,0]=4 514 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M23707 [0,1,0,0,0,1|1,0,1]=4 515 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M46550 [0,1,0,0,0,1|1,0,1]=4 516 B10R1.13 CC1=CN=C(C(=O)O)C=N1 M4677 [0,1,0,0,0,1|1,0,1]=4 517 B10R1.13 CC1=CN=C(C(=O)O)N=C1 M11475 [0,1,0,0,0,1|1,0,1]=4 518 B10R1.13 CC1=NC=C(C(=O)O)C=C1 M10933 [0,1,0,0,0,1|1,0,1]=4 519 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 B63199 [0,1,0,0,0,1|2,0,0]=4 520 B10R1.13 C[S@](=O)C1=NC=C(Br)C=N1 B63213 [0,1,0,0,0,1|1,0,1]=4 521 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 B45467 [0,1,0,0,0,1|2,0,0]=4 522 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 C45478 [0,1,0,0,0,1|2,0,0]=4 523 B10R1.13 NC(=O)C1=CC=C(N)C=C1 A37818 [0,1,0,0,0,1|2,0,0]=4 524 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 B9626 [0,1,0,0,0,1|1,0,1]=4 525 B10R1.13 NC(=O)C1=CN=C(Br)C=N1 B40806 [0,1,0,0,0,1|1,0,1]=4 526 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 C42457 [0,1,0,0,0,1|1,0,1]=4 527 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 B26330 [0,1,0,0,0,1|1,0,1]=4 528 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 C42456 [0,1,0,0,0,1|1,0,1]=4 529 B10R1.13 NC(=O)C1=NC=C(F)C=C1 F42460 [0,1,0,0,0,1|1,0,1]=4 530 B10R1.13 NC(=O)C1=NC=C(N)C=C1 A43096 [0,1,0,0,0,1|1,0,1]=4 531 B10R1.13 NC(=O)C1=NC=C(N)C=N1 A41101 [0,1,0,0,0,1|1,0,1]=4 532 B10R1.13 NC(=O)C1=NC=C(N)N=C1 A41099 [0,1,0,0,0,1|1,0,1]=4 533 B10R1.13 NC(=O)C1=NN=C(Cl)C=C1 C9732 [0,1,0,0,0,1|1,0,1]=4 534 B10R1.13 NC(=O)C1=NN=C(N)C=C1 A10801 [0,1,0,0,0,1|1,0,1]=4 535 B10R1.13 NC1=CN=C(C(=O)O)C=C1 A1119 [0,1,0,0,0,1|1,0,1]=4 536 B10R1.13 NC1=CN=C(C(=O)O)C=N1 A14591 [0,1,0,0,0,1|1,0,1]=4 537 B10R1.13 NC1=CN=C(C(=O)O)N=C1 A12385 [0,1,0,0,0,1|1,0,1]=4 538 B10R1.13 NC1=NC=C(C(=O)O)C=C1 A4758 [0,1,0,0,0,1|1,0,1]=4 539 B10R1.13 NC1=NN=C(C(=O)O)C=C1 A7484 [0,1,0,0,0,1|1,0,1]=4 540 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 C42006 [0,1,0,0,0,1|1,0,1]=4 541 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C67273 [0,1,0,0,0,1|2,0,0]=4 542 B10R1.13 O=C(O)C1=CC=C(I)C=C1 K39365 [0,1,0,0,0,1|2,0,0]=4 543 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M69070 [0,1,0,0,0,1|2,0,0]=4 544 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 B4499 [0,1,0,0,0,1|1,0,1]=4 545 B10R1.13 O=C(O)C1=CN=C(Br)C=N1 B26010 [0,1,0,0,0,1|1,0,1]=4 546 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 C24114 [0,1,0,0,0,1|1,0,1]=4 547 B10R1.13 O=C(O)C1=CN=C(Cl)C=N1 C7535 [0,1,0,0,0,1|1,0,1]=4 548 B10R1.13 O=C(O)C1=CN=C(F)C=C1 F2849 [0,1,0,0,0,1|1,0,1]=4 549 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 B4511 [0,1,0,0,0,1|1,0,1]=4 550 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 B14043 [0,1,0,0,0,1|1,0,1]=4 551 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 C11476 [0,1,0,0,0,1|1,0,1]=4 552 B10R1.13 O=C(O)C1=NC=C(F)C=C1 F13767 [0,1,0,0,0,1|1,0,1]=4 553 B10R1.13 O=C(O)C1=NC=C(F)C=N1 F11482 [0,1,0,0,0,1|1,0,1]=4 554 B10R1.13 O=C(O)C1=NC=C(I)C=C1 I38885 [0,1,0,0,0,1|1,0,1]=4 555 B10R1.13 O=C(O)C1=NC=C(O)C=C1 H8151 [0,1,0,0,0,1|1,0,1]=4 556 B10R1.13 O=C(O)C1=NC=C(O)N=C1 H12388 [0,1,0,0,0,1|1,0,1]=4 557 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 B13479 [0,1,0,0,0,1|1,0,1]=4 558 B10R1.13 O=C(O)C1=NN=C(Cl)C=C1 C0263 [0,1,0,0,0,1|1,0,1]=4 559 B10R1.13 O=C(O)C1=NN=C(O)C=C1 H0266 [0,1,0,0,0,1|1,0,1]=4 560 B10R1.13 O=C(O)C1=NN=C(O)C=C1 H41345 [0,1,0,0,0,1|1,0,1]=4 561 B10R1.13 O=C1C=CC(C(=O)O)=CN1 H12738 [0,1,0,0,0,1|1,0,0]=3 562 B10R1.13 O=C1C=CC(C(=O)O)=CO1 C7780 [0,1,0,0,0,1|2,0,0]=4 563 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [0,1,0,0,0,1|2,0,0]=4 564 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [0,1,0,0,0,1|0,0,1]=3 565 B10R1.15 CCC(=O)C1=NC=CC=N1 P61892 [0,1,0,0,0,1|0,0,1]=3 566 B10R1.15 CCC(=O)C1=NC=CN=C1 P14589 [0,1,0,0,0,1|0,0,1]=3 567 B10R1.15 COC(=O)C1=CC=NC=C1 M64933 [0,1,0,0,0,1|1,0,0]=3 568 B10R1.15 COC(=O)C1=CN=CN=C1 M10227 [0,1,0,0,0,1|1,0,1]=4 569 B10R1.15 COC(=O)C1=CN=NC=C1 M12256 [0,1,0,0,0,1|1,0,1]=4 570 B10R1.15 COC(=O)C1=NC=CC=C1 M28469 [0,1,0,0,0,1|0,0,1]=3 571 B10R1.15 COC(=O)C1=NC=CC=N1 M3445 [0,1,0,0,0,1|0,0,1]=3 572 B10R1.15 COC(=O)C1=NC=CN=C1 M2717 [0,1,0,0,0,1|0,0,1]=3 573 B10R1.15 COC(=O)C1=NC=NC=C1 P0159 [0,1,0,0,0,1|0,0,1]=3 574 B10R1.15 COC(=O)C1=NN=CC=C1 M0217 [0,1,0,0,0,1|0,0,1]=3 575 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [0,1,0,0,0,1|2,0,0]=4 576 B10R1.15 C\C(=N\O)C1=NC=CC=C1 M66365 [0,1,0,0,0,1|0,0,2]=4 577 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [0,1,0,0,0,1|2,0,0]=4 578 B10R1.15 NNC(=O)C1=NC=CC=C1 P43090 [0,1,0,0,0,1|1,0,1]=4 579 B10R1.15 NNC(=O)C1=NC=CN=C1 P67570 [0,1,0,0,0,1|1,0,1]=4 580 B10R1.15 NNC(=O)C1=NC=NC=C1 P9375 [0,1,0,0,0,1|1,0,1]=4 581 B10R1.15 O=C(CBr)C1=CN=CC=C1 B68250 [0,1,0,0,0,1|0,0,1]=3 582 B10R1.15 O=C(CBr)C1=NC=CC=C1 B45477 [0,1,0,0,0,1|0,0,1]=3 583 B10R1.15 O=C(CBr)C1=NC=CC=N1 B20416 [0,1,0,0,0,1|0,0,1]=3 584 B10R1.15 O=C(CBr)C1=NC=CC=N1 B69489 [0,1,0,0,0,1|0,0,1]=3 585 B10R1.15 O=C(CBr)C1=NC=CN=C1 B42452 [0,1,0,0,0,1|0,0,1]=3 586 B10R1.15 O=C(CCl)C1=CN=CC=C1 C45489 [0,1,0,0,0,1|0,0,1]=3 587 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [0,1,0,0,0,1|1,0,0]=3 588 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [0,1,0,0,0,1|1,0,1]=4 589 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 M39415 [0,1,0,0,0,1|2,0,0]=4 590 B10R1.28 CS(=O)(=O)C1=NC=CC=N1 M5572 [0,1,0,0,0,1|1,0,1]=4 591 B10R1.61 C=C(C)C1=C(N)C=CC=C1 P49976 [0,1,0,0,0,1|2,0,0]=4 592 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 B48708 [0,1,0,0,0,1|1,0,0]=3 593 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 B45470 [0,1,0,0,0,1|0,0,1]=3 594 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 A10416 [0,1,0,0,0,1|1,0,0]=3 595 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 B37228 [0,1,0,0,0,1|0,0,1]=3 596 B10R1.61 CC(=O)C1=C(C)C=CC=C1 T39529 [0,1,0,0,0,1|1,0,0]=3 597 B10R1.61 CC(=O)C1=C(C)N=CC=C1 M21788 [0,1,0,0,0,1|0,0,1]=3 598 B10R1.61 CC(=O)C1=C(C)N=CN=C1 M45983 [0,1,0,0,0,1|1,0,1]=4 599 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 C68333 [0,1,0,0,0,1|1,0,0]=3 600 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 A11386 [0,1,0,0,0,1|0,0,1]=3 601 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 C16933 [0,1,0,0,0,1|0,0,1]=3 602 B10R1.61 CC(=O)C1=C(F)C=CC=C1 F69325 [0,1,0,0,0,1|1,0,0]=3 603 B10R1.61 CC(=O)C1=C(F)C=CC=N1 A12617 [0,1,0,0,0,1|0,0,1]=3 604 B10R1.61 CC(=O)C1=C(F)C=NC=C1 A12618 [0,1,0,0,0,1|1,0,0]=3 605 B10R1.61 CC(=O)C1=C(I)C=CC=C1 K48750 [0,1,0,0,0,1|1,0,0]=3 606 B10R1.61 CC(=O)C1=C(N)C=CC=C1 A49645 [0,1,0,0,0,1|1,0,0]=3 607 B10R1.61 CC(=O)C1=C(N)C=NC=C1 A45980 [0,1,0,0,0,1|1,0,0]=3 608 B10R1.61 CC(=O)C1=C(N)N=CC=C1 A45979 [0,1,0,0,0,1|0,0,1]=3 609 B10R1.61 CC(=O)C1=C(O)C=NC=C1 H45819 [0,1,0,0,0,1|1,0,0]=3 610 B10R1.61 CC(=O)C1=CC=CN=C1Br A13535 [0,1,0,0,0,1|0,0,1]=3 611 B10R1.61 CC(=O)C1=CC=CN=C1Cl A12691 [0,1,0,0,0,1|0,0,1]=3 612 B10R1.61 CC(=O)C1=CC=CN=C1F A45493 [0,1,0,0,0,1|0,0,1]=3 613 B10R1.61 CC(=O)C1=CC=CNC1=O A45815 [0,1,0,0,0,1|0,0,0]=2 614 B10R1.61 CC(=O)C1=CNC=CC1=O A45816 [0,1,0,0,0,1|0,0,0]=2 615 B10R1.61 CC(=O)C1=NC=CC=C1O H37046 [0,1,0,0,0,1|0,0,1]=3 616 B10R1.61 CC(=O)C1=NC=CN=C1C M45981 [0,1,0,0,0,1|0,0,1]=3 617 B10R1.61 CC(=O)C1=NC=CN=C1Cl A11547 [0,1,0,0,0,1|0,0,1]=3 618 B10R1.61 CC(=O)C1=NC=CN=C1N A14612 [0,1,0,0,0,1|0,0,1]=3 619 B10R1.61 CC1=C(C(=O)O)C=CC=C1 T69330 [0,1,0,0,0,1|2,0,0]=4 620 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M14576 [0,1,0,0,0,1|1,0,1]=4 621 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M45814 [0,1,0,0,0,1|1,0,1]=4 622 B10R1.61 CC1=C(C(=O)O)C=CN=C1 M14013 [0,1,0,0,0,1|2,0,0]=4 623 B10R1.61 CC1=C(C(=O)O)C=NC=C1 M4658 [0,1,0,0,0,1|1,0,1]=4 624 B10R1.61 CC1=C(C(N)=O)C=CC=N1 M45974 [0,1,0,0,0,1|1,0,1]=4 625 B10R1.61 CC1=C(C(N)=O)C=CN=C1 M45976 [0,1,0,0,0,1|2,0,0]=4 626 B10R1.61 CC1=CC=CN=C1C(=O)O M14577 [0,1,0,0,0,1|1,0,1]=4 627 B10R1.61 CC1=CC=CN=C1C(=O)O M62138 [0,1,0,0,0,1|1,0,1]=4 628 B10R1.61 CC1=CC=NN=C1C(=O)O M14534 [0,1,0,0,0,1|1,0,1]=4 629 B10R1.61 CC1=CN=CN=C1C(=O)O M42780 [0,1,0,0,0,1|1,0,1]=4 630 B10R1.61 CC1=NC=CN=C1C(=O)O M7738 [0,1,0,0,0,1|1,0,1]=4 631 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 B61279 [0,1,0,0,0,1|2,0,0]=4 632 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 B42449 [0,1,0,0,0,1|2,0,0]=4 633 B10R1.61 NC(=O)C1=C(Cl)C=CC=N1 C42454 [0,1,0,0,0,1|1,0,1]=4 634 B10R1.61 NC(=O)C1=C(Cl)C=CN=C1 C42455 [0,1,0,0,0,1|1,0,1]=4 635 B10R1.61 NC(=O)C1=C(I)C=CC=C1 K45507 [0,1,0,0,0,1|2,0,0]=4 636 B10R1.61 NC(=O)C1=C(N)C=CC=C1 A64967 [0,1,0,0,0,1|2,0,0]=4 637 B10R1.61 NC(=O)C1=C(N)C=CN=C1 A3037 [0,1,0,0,0,1|1,0,1]=4 638 B10R1.61 NC(=O)C1=C(N)C=NC=C1 A3921 [0,1,0,0,0,1|2,0,0]=4 639 B10R1.61 NC(=O)C1=C(N)N=CC=C1 A65610 [0,1,0,0,0,1|1,0,1]=4 640 B10R1.61 NC(=O)C1=C(O)C=NC=C1 H63051 [0,1,0,0,0,1|2,0,0]=4 641 B10R1.61 NC(=O)C1=NC=CC=C1N A15555 [0,1,0,0,0,1|1,0,1]=4 642 B10R1.61 NC(=O)C1=NC=CN=C1Br B61986 [0,1,0,0,0,1|1,0,1]=4 643 B10R1.61 NC(=O)C1=NC=CN=C1Cl C40808 [0,1,0,0,0,1|1,0,1]=4 644 B10R1.61 NC(=O)C1=NC=CN=C1N A41098 [0,1,0,0,0,1|1,0,1]=4 645 B10R1.61 NC(=O)C1=NC=CN=C1O H37958 [0,1,0,0,0,1|1,0,1]=4 646 B10R1.61 NC(=O)C1=NC=CN=C1[O-] S65958 [0,1,0,0,0,1|1,0,1]=4 647 B10R1.61 NC1=C(C(=O)O)C=CC=N1 A12487 [0,1,0,0,0,1|1,0,1]=4 648 B10R1.61 NC1=C(C(=O)O)C=CN=C1 A1102 [0,1,0,0,0,1|2,0,0]=4 649 B10R1.61 NC1=C(C(=O)O)C=NC=C1 A4739 [0,1,0,0,0,1|1,0,1]=4 650 B10R1.61 NC1=CC=CN=C1C(=O)O A0472 [0,1,0,0,0,1|1,0,1]=4 651 B10R1.61 NC1=CN=CN=C1C(=O)O A40970 [0,1,0,0,0,1|1,0,1]=4 652 B10R1.61 NC1=NC=CN=C1C(=O)O A69313 [0,1,0,0,0,1|1,0,1]=4 653 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 K44672 [0,1,0,0,0,1|2,0,0]=4 654 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 B31223 [0,1,0,0,0,1|1,0,1]=4 655 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 B1556 [0,1,0,0,0,1|2,0,0]=4 656 B10R1.61 O=C(O)C1=C(Br)C=NC=N1 B13992 [0,1,0,0,0,1|1,0,1]=4 657 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 C14305 [0,1,0,0,0,1|1,0,1]=4 658 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 C16032 [0,1,0,0,0,1|1,0,1]=4 659 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 C42250 [0,1,0,0,0,1|2,0,0]=4 660 B10R1.61 O=C(O)C1=C(Cl)C=NC=N1 C24697 [0,1,0,0,0,1|1,0,1]=4 661 B10R1.61 O=C(O)C1=C(F)C=CC=N1 F10405 [0,1,0,0,0,1|1,0,1]=4 662 B10R1.61 O=C(O)C1=C(F)C=CN=C1 F61354 [0,1,0,0,0,1|1,0,1]=4 663 B10R1.61 O=C(O)C1=C(F)C=NC=C1 F1912 [0,1,0,0,0,1|2,0,0]=4 664 B10R1.61 O=C(O)C1=C(F)C=NC=N1 F17530 [0,1,0,0,0,1|1,0,1]=4 665 B10R1.61 O=C(O)C1=C(I)C=CC=N1 K42258 [0,1,0,0,0,1|1,0,1]=4 666 B10R1.61 O=C(O)C1=C(O)C=NC=C1 H12635 [0,1,0,0,0,1|2,0,0]=4 667 B10R1.61 O=C(O)C1=CC=CN=C1Br B23274 [0,1,0,0,0,1|1,0,1]=4 668 B10R1.61 O=C(O)C1=CC=CN=C1Cl C22883 [0,1,0,0,0,1|1,0,1]=4 669 B10R1.61 O=C(O)C1=CC=CN=C1F F38458 [0,1,0,0,0,1|1,0,1]=4 670 B10R1.61 O=C(O)C1=CC=CNC1=S T69299 [0,1,0,0,0,1|1,0,0]=3 671 B10R1.61 O=C(O)C1=CC=NNC1=O X40761 [0,1,0,0,0,1|2,0,0]=4 672 B10R1.61 O=C(O)C1=CN=CNC1=O X36907 [0,1,0,0,0,1|2,0,0]=4 673 B10R1.61 O=C(O)C1=CNC=CC1=O H67947 [0,1,0,0,0,1|1,0,0]=3 674 B10R1.61 O=C(O)C1=NC=CC=C1O H25980 [0,1,0,0,0,1|1,0,1]=4 675 B10R1.61 O=C(O)C1=NC=CN=C1Br B40577 [0,1,0,0,0,1|1,0,1]=4 676 B10R1.61 O=C(O)C1=NC=CN=C1Cl C10353 [0,1,0,0,0,1|1,0,1]=4 677 B10R1.61 O=C(O)C1=NC=CN=C1I K40592 [0,1,0,0,0,1|1,0,1]=4 678 B10R1.61 O=C(O)C1=NC=CNC1=O H1611 [0,1,0,0,0,1|1,0,1]=4 679 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 B48877 [0,1,0,0,0,1|1,0,1]=4 680 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 A12880 [0,1,0,0,0,1|0,0,1]=3 681 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 B39012 [0,1,0,0,0,1|1,0,0]=3 682 B10R1.113 CC(=O)C1=CC(C)=CC=C1 T39528 [0,1,0,0,0,1|1,0,0]=3 683 B10R1.113 CC(=O)C1=CC(C)=NC=C1 M49265 [0,1,0,0,0,1|1,0,0]=3 684 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 C0410 [0,1,0,0,0,1|1,0,0]=3 685 B10R1.113 CC(=O)C1=CC(F)=CN=C1 F45496 [0,1,0,0,0,1|0,0,1]=3 686 B10R1.113 CC(=O)C1=CC(N)=CC=C1 A68568 [0,1,0,0,0,1|1,0,0]=3 687 B10R1.113 CC(=O)C1=CC(O)=CC=C1 H60763 [0,1,0,0,0,1|1,0,0]=3 688 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 A45468 [0,1,0,0,0,1|0,0,1]=3 689 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 C69069 [0,1,0,0,0,1|1,0,0]=3 690 B10R1.113 CC(=O)C1=CC=CC(Cl)=N1 C45483 [0,1,0,0,0,1|0,0,1]=3 691 B10R1.113 CC(=O)C1=CC=CC(F)=C1 F48736 [0,1,0,0,0,1|1,0,0]=3 692 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F45497 [0,1,0,0,0,1|0,0,1]=3 693 B10R1.113 CC(=O)C1=CC=CC(I)=C1 I37889 [0,1,0,0,0,1|1,0,0]=3 694 B10R1.113 CC(=O)C1=CC=NC(Cl)=N1 C32407 [0,1,0,0,0,1|0,0,1]=3 695 B10R1.113 CC(=O)C1=CN=CC(C)=C1 M63719 [0,1,0,0,0,1|0,0,1]=3 696 B10R1.113 CC(=O)C1=NC(C)=CC=C1 A49259 [0,1,0,0,0,1|0,0,1]=3 697 B10R1.113 CC(=O)C1=NC(N)=CC=C1 A37132 [0,1,0,0,0,1|0,0,1]=3 698 B10R1.113 CC(=O)C1=NC(N)=NC=C1 A14288 [0,1,0,0,0,1|0,0,1]=3 699 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 B45471 [0,1,0,0,0,1|0,0,1]=3 700 B10R1.113 CC(=O)C1=NC=CC(C)=C1 M4575 [0,1,0,0,0,1|0,0,1]=3 701 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 C61244 [0,1,0,0,0,1|0,0,1]=3 702 B10R1.113 CC(=O)C1=NC=NC(C)=C1 M45984 [0,1,0,0,0,1|0,0,1]=3 703 B10R1.113 CC1=CC(C(=O)O)=CN=C1 M10515 [0,1,0,0,0,1|1,0,1]=4 704 B10R1.113 CC1=CC(C(=O)O)=NC=C1 M38719 [0,1,0,0,0,1|1,0,1]=4 705 B10R1.113 CC1=CC(C(=O)O)=NC=N1 M14544 [0,1,0,0,0,1|1,0,1]=4 706 B10R1.113 CC1=CC(C(=O)O)=NN=C1 M17544 [0,1,0,0,0,1|1,0,1]=4 707 B10R1.113 CC1=CC=CC(C(=O)O)=N1 M45823 [0,1,0,0,0,1|1,0,1]=4 708 B10R1.113 CC1=CC=NC(C(=O)O)=N1 M14425 [0,1,0,0,0,1|1,0,1]=4 709 B10R1.113 CC1=CC=NC(C(N)=O)=N1 M43098 [0,1,0,0,0,1|1,0,1]=4 710 B10R1.113 CC1=CN=CC(C(=O)O)=N1 M10680 [0,1,0,0,0,1|1,0,1]=4 711 B10R1.113 CC1=CN=CC(C(N)=O)=N1 M43097 [0,1,0,0,0,1|1,0,1]=4 712 B10R1.113 CC1=NC=CC(C(=O)O)=C1 M15805 [0,1,0,0,0,1|2,0,0]=4 713 B10R1.113 CC1=NC=CC(C(=O)O)=N1 M42778 [0,1,0,0,0,1|1,0,1]=4 714 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 B42448 [0,1,0,0,0,1|1,0,1]=4 715 B10R1.113 NC(=O)C1=CC(O)=CC=C1 H45813 [0,1,0,0,0,1|2,0,0]=4 716 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 B45466 [0,1,0,0,0,1|2,0,0]=4 717 B10R1.113 NC(=O)C1=CC=CC(F)=C1 F45492 [0,1,0,0,0,1|2,0,0]=4 718 B10R1.113 NC(=O)C1=CC=NC(Br)=N1 B37467 [0,1,0,0,0,1|1,0,1]=4 719 B10R1.113 NC(=O)C1=CC=NC(Cl)=N1 C4894 [0,1,0,0,0,1|1,0,1]=4 720 B10R1.113 NC(=O)C1=CN=CC(Cl)=N1 C40809 [0,1,0,0,0,1|1,0,1]=4 721 B10R1.113 NC(=O)C1=CN=CC(N)=C1 A43095 [0,1,0,0,0,1|1,0,1]=4 722 B10R1.113 NC(=O)C1=NC(N)=NC=C1 A41100 [0,1,0,0,0,1|1,0,1]=4 723 B10R1.113 NC(=O)C1=NC(O)=CC=C1 H42772 [0,1,0,0,0,1|1,0,1]=4 724 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 B12089 [0,1,0,0,0,1|1,0,1]=4 725 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 H15729 [0,1,0,0,0,1|1,0,1]=4 726 B10R1.113 NC(=O)C1=NC=CC(N)=C1 A43091 [0,1,0,0,0,1|1,0,1]=4 727 B10R1.113 NC1=CC(C(=O)O)=CN=C1 A4566 [0,1,0,0,0,1|1,0,1]=4 728 B10R1.113 NC1=CC(C(=O)O)=NC=C1 A10317 [0,1,0,0,0,1|1,0,1]=4 729 B10R1.113 NC1=CC(C(=O)O)=NC=N1 A54071 [0,1,0,0,0,1|1,0,1]=4 730 B10R1.113 NC1=CC=CC(C(=O)O)=C1 A69286 [0,1,0,0,0,1|2,0,0]=4 731 B10R1.113 NC1=CC=CC(C(=O)O)=N1 A4798 [0,1,0,0,0,1|1,0,1]=4 732 B10R1.113 NC1=CN=CC(C(=O)O)=N1 A40967 [0,1,0,0,0,1|1,0,1]=4 733 B10R1.113 NC1=NC=CC(C(=O)O)=C1 A3938 [0,1,0,0,0,1|2,0,0]=4 734 B10R1.113 NC1=NC=CC(C(=O)O)=N1 A3707 [0,1,0,0,0,1|1,0,1]=4 735 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=C1 C64820 [0,1,0,0,0,1|2,0,0]=4 736 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C42007 [0,1,0,0,0,1|1,0,1]=4 737 B10R1.113 O=C(Cl)C1=CC=NC(Cl)=N1 C40485 [0,1,0,0,0,1|1,0,1]=4 738 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 B69308 [0,1,0,0,0,1|1,0,1]=4 739 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 B2422 [0,1,0,0,0,1|2,0,0]=4 740 B10R1.113 O=C(O)C1=CC(Cl)=CN=C1 C10556 [0,1,0,0,0,1|1,0,1]=4 741 B10R1.113 O=C(O)C1=CC(Cl)=CN=N1 C40581 [0,1,0,0,0,1|1,0,1]=4 742 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 C12400 [0,1,0,0,0,1|2,0,0]=4 743 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 C10743 [0,1,0,0,0,1|1,0,1]=4 744 B10R1.113 O=C(O)C1=CC(F)=CN=C1 F12047 [0,1,0,0,0,1|1,0,1]=4 745 B10R1.113 O=C(O)C1=CC(F)=NC=C1 F42254 [0,1,0,0,0,1|2,0,0]=4 746 B10R1.113 O=C(O)C1=CC(O)=NC=C1 H3170 [0,1,0,0,0,1|2,0,0]=4 747 B10R1.113 O=C(O)C1=CC(O)=NC=C1 H38104 [0,1,0,0,0,1|2,0,0]=4 748 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 B39364 [0,1,0,0,0,1|2,0,0]=4 749 B10R1.113 O=C(O)C1=CC=CC(Br)=N1 B4508 [0,1,0,0,0,1|1,0,1]=4 750 B10R1.113 O=C(O)C1=CC=CC(F)=C1 F68888 [0,1,0,0,0,1|2,0,0]=4 751 B10R1.113 O=C(O)C1=CC=CC(F)=N1 F3784 [0,1,0,0,0,1|1,0,1]=4 752 B10R1.113 O=C(O)C1=CC=CC(I)=C1 K68155 [0,1,0,0,0,1|2,0,0]=4 753 B10R1.113 O=C(O)C1=CC=NC(Br)=N1 B32155 [0,1,0,0,0,1|1,0,1]=4 754 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 C5854 [0,1,0,0,0,1|1,0,1]=4 755 B10R1.113 O=C(O)C1=CN=CC(Br)=N1 B32134 [0,1,0,0,0,1|1,0,1]=4 756 B10R1.113 O=C(O)C1=CN=CC(Cl)=N1 C0341 [0,1,0,0,0,1|1,0,1]=4 757 B10R1.113 O=C(O)C1=CN=CC(O)=C1 H4735 [0,1,0,0,0,1|1,0,1]=4 758 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 B7920 [0,1,0,0,0,1|1,0,1]=4 759 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 C24201 [0,1,0,0,0,1|1,0,1]=4 760 B10R1.113 O=C(O)C1=NC=CC(F)=C1 F42252 [0,1,0,0,0,1|1,0,1]=4 761 B10R1.113 O=C(O)C1=NC=CC(I)=C1 I3949 [0,1,0,0,0,1|1,0,1]=4 762 B10R1.113 O=C(O)C1=NC=CC(O)=C1 H9415 [0,1,0,0,0,1|1,0,1]=4 763 B10R1.113 O=C(O)C1=NC=NC(O)=C1 H3196 [0,1,0,0,0,1|1,0,1]=4 764 B10R1.113 O=C1C=NC=C(C(=O)O)N1 X40760 [0,1,0,0,0,1|1,0,0]=3 765 B10R1.113 O=C1C=NC=C(C(=O)[O-])N1 S65540 [0,1,0,0,0,1|1,0,0]=3 766 B10R1.113 O=C1N=CC=C(C(=O)O)N1 X60835 [0,1,0,0,0,1|1,0,0]=3 767 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 A11151 [0,1,0,0,0,1|2,0,0]=4 768 B10R1.23 O=C(O)C(=O)C1=CC=CO1 F68890 [0,1,0,0,0,1|2,0,0]=4 769 B10R1.27 COC(=O)CC1=CSC=C1 M12831 [0,1,0,0,0,1|2,0,0]=4 770 B10R1.54 CC(=O)NC1=CC=C(Br)S1 B42894 [0,1,0,0,0,1|1,0,0]=3 771 B10R1.54 CC(=O)NC1=NC(C)=CS1 A68861 [0,1,0,0,0,1|1,0,1]=4 772 B10R1.54 CC(=O)NC1=NC=C(Br)S1 A2519 [0,1,0,0,0,1|1,0,1]=4 773 B10R1.54 CC(=O)NC1=NNC(C)=C1 M43357 [0,1,0,0,0,1|1,0,1]=4 774 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 X24459 [0,1,0,0,0,1|1,0,1]=4 775 B10R1.64 CC(=O)SC1=C(C)OC=C1 M46247 [0,1,0,0,0,1|2,0,0]=4 776 B10R1.11 CCOC(=O)C1=CC=CN1 E22399 [0,2,0,0,0,0|0,0,0]=2 777 B10R1.11 CCOC(=O)C1=CC=NO1 E43160 [0,2,0,0,0,0|2,0,0]=4 778 B10R1.11 CCOC(=O)C1=CN=CN1 E22557 [0,2,0,0,0,0|1,0,0]=3 779 B10R1.11 CCOC(=O)C1=CN=CO1 E10769 [0,2,0,0,0,0|2,0,0]=4 780 B10R1.11 CCOC(=O)C1=CN=CS1 E9760 [0,2,0,0,0,0|2,0,0]=4 781 B10R1.11 CCOC(=O)C1=CNC=C1 E46399 [0,2,0,0,0,0|2,0,0]=4 782 B10R1.11 CCOC(=O)C1=COC=C1 E69380 [0,2,0,0,0,0|2,0,0]=4 783 B10R1.11 CCOC(=O)C1=COC=N1 E2170 [0,2,0,0,0,0|1,0,1]=4 784 B10R1.11 CCOC(=O)C1=CSC=C1 E46245 [0,2,0,0,0,0|2,0,0]=4 785 B10R1.11 CCOC(=O)C1=CSC=N1 E2134 [0,2,0,0,0,0|1,0,1]=4 786 B10R1.11 CCOC(=O)C1=NC=CN1 E23112 [0,2,0,0,0,0|1,0,0]=3 787 B10R1.11 CCOC(=O)C1=NC=CO1 E23077 [0,2,0,0,0,0|1,0,1]=4 788 B10R1.11 CCOC(=O)C1=NC=CS1 E43151 [0,2,0,0,0,0|1,0,1]=4 789 B10R1.11 CCOC(=O)C1=NNC=C1 E0715 [0,2,0,0,0,0|1,0,1]=4 790 B10R1.11 CCOC(=O)C1=NOC=C1 E7434 [0,2,0,0,0,0|1,0,1]=4 791 B10R1.11 N#CCC(=O)C1=CC=CO1 F68571 [0,2,0,0,0,0|1,0,0]=3 792 B10R1.11 N#CCC(=O)C1=CC=CS1 T12473 [0,2,0,0,0,0|1,0,0]=3 793 B10R1.11 N#CCC(=O)C1=CSC=C1 X12834 [0,2,0,0,0,0|2,0,0]=4 794 B10R1.14 CNC(=O)C1=CN=C(N)S1 A41157 [0,2,0,0,0,0|2,0,0]=4 795 B10R1.14 CNC(=O)C1=NOC(C)=C1 D43221 [0,2,0,0,0,0|1,0,1]=4 796 B10R1.14 COC(=O)C1=CC(=O)CC1 M46257 [0,2,0,0,0,0|1,0,1]=4 797 B10R1.14 COC(=O)C1=CC(=O)NN1 M67365 [0,2,0,0,0,0|1,0,0]=3 798 B10R1.14 COC(=O)C1=CC(Br)=CN1 M12023 [0,2,0,0,0,0|0,0,0]=2 799 B10R1.14 COC(=O)C1=CC(Br)=CO1 M42715 [0,2,0,0,0,0|1,0,0]=3 800 B10R1.14 COC(=O)C1=CC(Br)=CS1 M7697 [0,2,0,0,0,0|1,0,0]=3 801 B10R1.14 COC(=O)C1=CC(Br)=NN1 M40893 [0,2,0,0,0,0|1,0,0]=3 802 B10R1.14 COC(=O)C1=CC(C)=NO1 M43162 [0,2,0,0,0,0|2,0,0]=4 803 B10R1.14 COC(=O)C1=CC(Cl)=CS1 M14084 [0,2,0,0,0,0|1,0,0]=3 804 B10R1.14 COC(=O)C1=CC(F)=CS1 M42707 [0,2,0,0,0,0|1,0,0]=3 805 B10R1.14 COC(=O)C1=CC(N)=CS1 M43154 [0,2,0,0,0,0|1,0,0]=3 806 B10R1.14 COC(=O)C1=CC(N)=NN1 M11042 [0,2,0,0,0,0|1,0,0]=3 807 B10R1.14 COC(=O)C1=CC(O)=NO1 M37717 [0,2,0,0,0,0|2,0,0]=4 808 B10R1.14 COC(=O)C1=CC=C(Br)N1 M9622 [0,2,0,0,0,0|0,0,0]=2 809 B10R1.14 COC(=O)C1=CC=C(Br)O1 M42716 [0,2,0,0,0,0|1,0,0]=3 810 B10R1.14 COC(=O)C1=CC=C(Br)S1 M7698 [0,2,0,0,0,0|1,0,0]=3 811 B10R1.14 COC(=O)C1=CC=C(C)N1 M46412 [0,2,0,0,0,0|0,0,0]=2 812 B10R1.14 COC(=O)C1=CC=C(C)O1 M46254 [0,2,0,0,0,0|1,0,0]=3 813 B10R1.14 COC(=O)C1=CC=C(Cl)S1 M66823 [0,2,0,0,0,0|1,0,0]=3 814 B10R1.14 COC(=O)C1=CC=C(I)S1 M42708 [0,2,0,0,0,0|1,0,0]=3 815 B10R1.14 COC(=O)C1=CC=C(N)O1 A11105 [0,2,0,0,0,0|1,0,0]=3 816 B10R1.14 COC(=O)C1=CC=C(N)S1 M9979 [0,2,0,0,0,0|1,0,0]=3 817 B10R1.14 COC(=O)C1=CN(C)C=N1 M29723 [0,2,0,0,0,0|1,0,1]=4 818 B10R1.14 COC(=O)C1=CN=C(Br)O1 B3574 [0,2,0,0,0,0|2,0,0]=4 819 B10R1.14 COC(=O)C1=CN=C(Br)S1 M2155 [0,2,0,0,0,0|2,0,0]=4 820 B10R1.14 COC(=O)C1=CN=C(C)N1 M43230 [0,2,0,0,0,0|1,0,0]=3 821 B10R1.14 COC(=O)C1=CN=C(C)O1 M3277 [0,2,0,0,0,0|2,0,0]=4 822 B10R1.14 COC(=O)C1=CN=C(Cl)O1 M2777 [0,2,0,0,0,0|2,0,0]=4 823 B10R1.14 COC(=O)C1=CN=C(Cl)S1 M2695 [0,2,0,0,0,0|2,0,0]=4 824 B10R1.14 COC(=O)C1=CN=C(N)O1 M2776 [0,2,0,0,0,0|2,0,0]=4 825 B10R1.14 COC(=O)C1=CN=C(N)S1 M2153 [0,2,0,0,0,0|2,0,0]=4 826 B10R1.14 COC(=O)C1=CNC(=O)N1 M41045 [0,2,0,0,0,0|1,0,0]=3 827 B10R1.14 COC(=O)C1=CNC(Br)=C1 M42853 [0,2,0,0,0,0|2,0,0]=4 828 B10R1.14 COC(=O)C1=COC(Br)=N1 M3573 [0,2,0,0,0,0|1,0,1]=4 829 B10R1.14 COC(=O)C1=COC(C)=C1 M46255 [0,2,0,0,0,0|2,0,0]=4 830 B10R1.14 COC(=O)C1=COC(C)=N1 M7131 [0,2,0,0,0,0|1,0,1]=4 831 B10R1.14 COC(=O)C1=COC(Cl)=N1 M2706 [0,2,0,0,0,0|1,0,1]=4 832 B10R1.14 COC(=O)C1=COC(N)=N1 M2978 [0,2,0,0,0,0|1,0,1]=4 833 B10R1.14 COC(=O)C1=CSC(Br)=C1 M12753 [0,2,0,0,0,0|2,0,0]=4 834 B10R1.14 COC(=O)C1=CSC(Br)=N1 M2154 [0,2,0,0,0,0|1,0,1]=4 835 B10R1.14 COC(=O)C1=CSC(C)=N1 M2884 [0,2,0,0,0,0|1,0,1]=4 836 B10R1.14 COC(=O)C1=CSC(Cl)=C1 M1606 [0,2,0,0,0,0|2,0,0]=4 837 B10R1.14 COC(=O)C1=CSC(Cl)=N1 M2986 [0,2,0,0,0,0|1,0,1]=4 838 B10R1.14 COC(=O)C1=CSC(N)=N1 M2152 [0,2,0,0,0,0|1,0,1]=4 839 B10R1.14 COC(=O)C1=NC(Br)=CS1 M8686 [0,2,0,0,0,0|1,0,1]=4 840 B10R1.14 COC(=O)C1=NC(C)=CS1 M43155 [0,2,0,0,0,0|1,0,1]=4 841 B10R1.14 COC(=O)C1=NC=C(Br)S1 M17507 [0,2,0,0,0,0|1,0,1]=4 842 B10R1.14 COC(=O)C1=NC=C(C)O1 M17998 [0,2,0,0,0,0|1,0,1]=4 843 B10R1.14 COC(=O)C1=NC=C(C)S1 M43156 [0,2,0,0,0,0|1,0,1]=4 844 B10R1.14 COC(=O)C1=NC=C(N)S1 M14283 [0,2,0,0,0,0|1,0,1]=4 845 B10R1.14 COC(=O)C1=NN(C)C=C1 M29732 [0,2,0,0,0,0|1,0,1]=4 846 B10R1.14 COC(=O)C1=NNC(Br)=C1 M18674 [0,2,0,0,0,0|1,0,1]=4 847 B10R1.14 COC(=O)C1=NNC(C)=C1 M9723 [0,2,0,0,0,0|1,0,1]=4 848 B10R1.14 COC(=O)C1=NNC(Cl)=C1 M30058 [0,2,0,0,0,0|1,0,1]=4 849 B10R1.14 COC(=O)C1=NNC(I)=C1 M15686 [0,2,0,0,0,0|1,0,1]=4 850 B10R1.14 COC(=O)C1=NNC(O)=C1 M41044 [0,2,0,0,0,0|1,0,1]=4 851 B10R1.14 COC(=O)C1=NOC(N)=C1 M61911 [0,2,0,0,0,0|1,0,1]=4 852 B10R1.149 COC(=O)C1=C(Br)C=CN1 B12084 [0,2,0,0,0,0|0,0,0]=2 853 B10R1.149 COC(=O)C1=C(Br)C=CS1 M15715 [0,2,0,0,0,0|1,0,0]=3 854 B10R1.149 COC(=O)C1=C(Br)C=NN1 M40894 [0,2,0,0,0,0|1,0,0]=3 855 B10R1.149 COC(=O)C1=C(Br)N=CO1 M63259 [0,2,0,0,0,0|2,0,0]=4 856 B10R1.149 COC(=O)C1=C(Br)SC=C1 M42697 [0,2,0,0,0,0|2,0,0]=4 857 B10R1.149 COC(=O)C1=C(Br)SC=N1 M3202 [0,2,0,0,0,0|1,0,1]=4 858 B10R1.149 COC(=O)C1=C(C)C=CN1 M11830 [0,2,0,0,0,0|0,0,0]=2 859 B10R1.149 COC(=O)C1=C(C)C=CO1 M46253 [0,2,0,0,0,0|1,0,0]=3 860 B10R1.149 COC(=O)C1=C(C)C=CS1 M46249 [0,2,0,0,0,0|1,0,0]=3 861 B10R1.149 COC(=O)C1=C(C)N=CS1 M67491 [0,2,0,0,0,0|2,0,0]=4 862 B10R1.149 COC(=O)C1=C(C)OC=C1 M63405 [0,2,0,0,0,0|2,0,0]=4 863 B10R1.149 COC(=O)C1=C(C)SC=C1 M46248 [0,2,0,0,0,0|2,0,0]=4 864 B10R1.149 COC(=O)C1=C(C)SC=N1 M3490 [0,2,0,0,0,0|1,0,1]=4 865 B10R1.149 COC(=O)C1=C(Cl)C=CN1 M8084 [0,2,0,0,0,0|0,0,0]=2 866 B10R1.149 COC(=O)C1=C(Cl)C=CS1 M12481 [0,2,0,0,0,0|1,0,0]=3 867 B10R1.149 COC(=O)C1=C(Cl)N=CS1 M40838 [0,2,0,0,0,0|2,0,0]=4 868 B10R1.149 COC(=O)C1=C(Cl)SC=C1 M42700 [0,2,0,0,0,0|2,0,0]=4 869 B10R1.149 COC(=O)C1=C(Cl)SC=N1 M40839 [0,2,0,0,0,0|1,0,1]=4 870 B10R1.149 COC(=O)C1=C(F)C=CS1 M42706 [0,2,0,0,0,0|1,0,0]=3 871 B10R1.149 COC(=O)C1=C(N)C=CO1 M14191 [0,2,0,0,0,0|1,0,0]=3 872 B10R1.149 COC(=O)C1=C(N)C=CO1 M29739 [0,2,0,0,0,0|1,0,0]=3 873 B10R1.149 COC(=O)C1=C(N)C=CS1 M22453 [0,2,0,0,0,0|1,0,0]=3 874 B10R1.149 COC(=O)C1=C(N)C=NN1 M41352 [0,2,0,0,0,0|1,0,0]=3 875 B10R1.149 COC(=O)C1=C(N)N=CS1 M64895 [0,2,0,0,0,0|2,0,0]=4 876 B10R1.149 COC(=O)C1=C(N)NC=N1 M61578 [0,2,0,0,0,0|1,0,1]=4 877 B10R1.149 COC(=O)C1=C(N)SC=C1 M12698 [0,2,0,0,0,0|2,0,0]=4 878 B10R1.149 COC(=O)C1=C(O)C=CN1 M38841 [0,2,0,0,0,0|0,0,0]=2 879 B10R1.149 COC(=O)C1=C(O)C=CS1 M42957 [0,2,0,0,0,0|1,0,0]=3 880 B10R1.149 COC(=O)C1=CC=CN1N M43225 [0,2,0,0,0,0|0,0,0]=2 881 B10R1.149 COC(=O)C1=CC=NN1C M21904 [0,2,0,0,0,0|1,0,0]=3 882 B10R1.149 COC(=O)C1=CN=CN1C M11451 [0,2,0,0,0,0|1,0,0]=3 883 B10R1.149 COC(=O)C1=CNC=C1C M23532 [0,2,0,0,0,0|2,0,0]=4 884 B10R1.149 COC(=O)C1=COC=C1Br M63762 [0,2,0,0,0,0|2,0,0]=4 885 B10R1.149 COC(=O)C1=CSC=C1Br M42698 [0,2,0,0,0,0|2,0,0]=4 886 B10R1.149 COC(=O)C1=NC=CN1C M13998 [0,2,0,0,0,0|1,0,0]=3 887 B10R1.149 COC(=O)C1=NNC=C1Br B3249 [0,2,0,0,0,0|1,0,1]=4 888 B10R1.149 COC(=O)C1=NNC=C1Cl M15947 [0,2,0,0,0,0|1,0,1]=4 889 B10R1.149 COC(=O)C1=NNC=C1F M60255 [0,2,0,0,0,0|1,0,1]=4 890 B10R1.149 COC(=O)C1=NNC=C1I M40909 [0,2,0,0,0,0|1,0,1]=4 891 B10R1.149 COC(=O)C1=NNC=C1N M7694 [0,2,0,0,0,0|1,0,1]=4 892 B10R1.149 NCC(=O)C1=C(N)NC=N1 A14565 [0,2,0,0,0,0|1,0,1]=4 893 B10R1.55 CS(=O)(=O)C1=CC=C(Br)S1 B12841 [0,2,0,0,0,0|2,0,0]=4 894 B10R1.31 CC(=O)C1=CC=C(C=O)S1 A45521 [0,2,0,0,0,0|1,0,0]=3 895 B10R1.31 CC(=O)C1=CNC(C=O)=C1 A63189 [0,2,0,0,0,0|2,0,0]=4 896 B10R1.31 N#CC1=CC=C(C(=O)O)O1 C41961 [0,2,0,0,0,0|2,0,0]=4 897 B10R1.31 N#CC1=COC(C(=O)O)=C1 C41960 [0,2,0,0,0,0|2,0,0]=4 898 B10R1.31 N#CC1=CSC(C(=O)O)=C1 C41959 [0,2,0,0,0,0|2,0,0]=4 899 B10R1.31 N#CC1=NNC(C(=O)O)=C1 C37661 [0,2,0,0,0,0|2,0,0]=4 900 B10R1.31 O=C(O)C1=CC(CO)=NN1 H37123 [0,2,0,0,0,0|2,0,0]=4 901 B10R1.31 O=CC1=CC=C(C(=O)O)O1 F42334 [0,2,0,0,0,0|2,0,0]=4 902 B10R1.31 O=CC1=CC=C(C(=O)O)S1 F60808 [0,2,0,0,0,0|2,0,0]=4 903 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 B45953 [0,2,0,0,0,0|1,0,0]=3 904 B10R1.58 CC(=O)C1=CC(Cl)=C(Cl)S1 D42352 [0,2,0,0,0,0|1,0,0]=3 905 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 B42699 [0,2,0,0,0,0|2,0,0]=4 906 B10R1.58 NC(=O)C1=CC(Cl)=C(Cl)N1 D40774 [0,2,0,0,0,0|1,0,0]=3 907 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 A40836 [0,2,0,0,0,0|2,0,0]=4 908 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 D40555 [0,2,0,0,0,0|2,0,0]=4 909 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 D40549 [0,2,0,0,0,0|2,0,0]=4 910 B10R1.58 O=C(O)C1=CC(Cl)=C(Br)S1 B40551 [0,2,0,0,0,0|2,0,0]=4 911 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)S1 D40553 [0,2,0,0,0,0|2,0,0]=4 912 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 D46833 [0,2,0,0,0,0|1,0,0]=3 913 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 B62817 [0,2,0,0,0,0|2,0,0]=4 914 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 D46440 [0,2,0,0,0,0|2,0,0]=4 915 B10R1.59 CC(=O)C1=C(C)OC(C)=N1 D46406 [0,2,0,0,0,0|1,0,1]=4 916 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 A43257 [0,2,0,0,0,0|1,0,1]=4 917 B10R1.59 CC(=O)C1=C(Cl)SC(Cl)=C1 A13751 [0,2,0,0,0,0|2,0,0]=4 918 B10R1.59 CC(=O)C1=CC(C)=NN1C D1042 [0,2,0,0,0,0|1,0,0]=3 919 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 D3961 [0,2,0,0,0,0|2,0,0]=4 920 B10R1.59 CC1=NN(C)C(C(N)=O)=C1 D43358 [0,2,0,0,0,0|2,0,0]=4 921 B10R1.59 CN1C=C(Br)C=C1C(=O)O B42854 [0,2,0,0,0,0|1,0,0]=3 922 B10R1.59 CN1N=C(Cl)C=C1C(=O)O C10638 [0,2,0,0,0,0|2,0,0]=4 923 B10R1.59 CN1NC(=O)C=C1C(=O)O M63710 [0,2,0,0,0,0|2,0,0]=4 924 B10R1.59 O=C(O)C1=C(Br)C=C(Cl)S1 B40550 [0,2,0,0,0,0|2,0,0]=4 925 B10R1.59 O=C(O)C1=C(Cl)C=C(Cl)S1 D62978 [0,2,0,0,0,0|2,0,0]=4 926 B10R1.59 O=C(O)C1=C(F)C=C(Br)S1 B40552 [0,2,0,0,0,0|2,0,0]=4 927 B10R1.194 CC(=O)C1=CNC(Br)=C1C B46179 [0,2,0,0,0,0|2,0,0]=4 928 B10R1.194 CC1=CNC(C(=O)O)=C1C D0626 [0,2,0,0,0,0|1,0,0]=3 929 B10R1.194 CC1=CSC(C(=O)O)=C1C D46250 [0,2,0,0,0,0|2,0,0]=4 930 B10R1.194 CC1=NNC(C(=O)O)=C1C D43229 [0,2,0,0,0,0|2,0,0]=4 931 B10R1.194 CN1C(Br)=CC=C1C(=O)O B42855 [0,2,0,0,0,0|1,0,0]=3 932 B10R1.194 NC1=C(C(=O)O)SC=C1Br A63160 [0,2,0,0,0,0|2,0,0]=4 933 B10R1.194 O=C(O)C1=C(F)C(F)=CN1 D13740 [0,2,0,0,0,0|1,0,0]=3 934 B10R1.39 CCN1C=CC=C1C(C)=O E46916 [0,2,0,0,0,0|0,0,0]=2 935 B10R1.39 CCN1C=NC=C1C(=O)O E69191 [0,2,0,0,0,0|2,0,0]=4 936 B10R1.39 CCN1N=CC=C1C(=O)O E43222 [0,2,0,0,0,0|2,0,0]=4 937 B10R1.192 CN1N=CC(I)=C1C(=O)O K40911 [0,2,0,0,0,0|2,0,0]=4 938 B8R1.4 CC1=CC(N)=NC=C1 M67573 [0,0,1,1,0,0|2,0,0]=4 939 B8R1.4 CC1=CC=CC(=O)N1 M23064 [0,0,1,1,0,0|2,0,0]=4 940 B8R1.4 CC1=CC=CC(Br)=N1 B39267 [0,0,1,1,0,0|2,0,0]=4 941 B8R1.4 CC1=CC=CC(Cl)=N1 C4547 [0,0,1,1,0,0|2,0,0]=4 942 B8R1.4 CC1=CC=CC(F)=N1 F39268 [0,0,1,1,0,0|2,0,0]=4 943 B8R1.4 CC1=CC=CC(I)=C1 K68735 [0,0,1,1,0,0|2,0,0]=4 944 B8R1.4 CC1=CC=CC(I)=N1 K42850 [0,0,1,1,0,0|2,0,0]=4 945 B8R1.4 CC1=CC=CC(N)=N1 A13755 [0,0,1,1,0,0|1,0,0]=3 946 B8R1.4 CC1=CC=CC(S)=N1 M38177 [0,0,1,1,0,0|2,0,0]=4 947 B8R1.4 CC1=CC=CC([Mg+])=C1 M31730 [0,0,1,1,0,0|2,0,0]=4 948 B8R1.4 CC1=CC=NC(N)=N1 M41141 [0,0,1,1,0,0|2,0,0]=4 949 B8R1.4 CC1=CN=CC(N)=C1 A4718 [0,0,1,1,0,0|2,0,0]=4 950 B8R1.4 CC1=CN=CC(N)=N1 M41139 [0,0,1,1,0,0|2,0,0]=4 951 B8R1.4 CC1=NC=CC(N)=C1 A12847 [0,0,1,1,0,0|2,0,0]=4 952 B8R1.4 CC1=NC=CC(N)=N1 M9010 [0,0,1,1,0,0|2,0,0]=4 953 B8R1.4 NC1=CC(=O)NC=C1 A0052 [0,0,1,1,0,0|1,0,1]=4 954 B8R1.4 NC1=CC=CC(Br)=N1 A1106 [0,0,1,1,0,0|2,0,0]=4 955 B8R1.4 NC1=CC=CC(Cl)=N1 A1775 [0,0,1,1,0,0|2,0,0]=4 956 B8R1.4 NC1=CC=CC(F)=N1 A40882 [0,0,1,1,0,0|2,0,0]=4 957 B8R1.4 NC1=CC=CC(I)=C1 I37843 [0,0,1,1,0,0|1,0,1]=4 958 B8R1.4 NC1=CC=CC(I)=N1 K40888 [0,0,1,1,0,0|2,0,0]=4 959 B8R1.4 NC1=CC=CC(N)=N1 P69294 [0,0,1,1,0,0|2,0,0]=4 960 B8R1.4 NC1=CC=CC(O)=N1 A3198 [0,0,1,1,0,0|1,0,1]=4 961 B8R1.4 NC1=NC=CC(=O)N1 A7573 [0,0,1,1,0,0|2,0,0]=4 962 B8R1.4 O=C1C=CC=C(Br)N1 B13719 [0,0,1,1,0,0|2,0,0]=4 963 B8R1.4 O=C1C=CC=C(Cl)N1 C40846 [0,0,1,1,0,0|2,0,0]=4 964 B8R1.5 CC1=C(Br)C=CC=N1 B10407 [0,0,1,1,0,0|2,0,0]=4 965 B8R1.5 CC1=C(Cl)C=CC=N1 C42843 [0,0,1,1,0,0|2,0,0]=4 966 B8R1.5 CC1=C(F)C=CC=N1 F69193 [0,0,1,1,0,0|2,0,0]=4 967 B8R1.5 CC1=C(I)C=CC=C1 K67847 [0,0,1,1,0,0|2,0,0]=4 968 B8R1.5 CC1=C(N)C=CN=C1 A4667 [0,0,1,1,0,0|2,0,0]=4 969 B8R1.5 CC1=C(N)C=NC=C1 A14314 [0,0,1,1,0,0|2,0,0]=4 970 B8R1.5 CC1=C(O)C=CC=N1 H10468 [0,0,1,1,0,0|2,0,0]=4 971 B8R1.5 CC1=C([Mg+])C=CC=C1 M31729 [0,0,1,1,0,0|2,0,0]=4 972 B8R1.5 CC1=CC=CN=C1C L68373 [0,0,1,1,0,0|2,0,0]=4 973 B8R1.5 CC1=CC=CN=C1N M20541 [0,0,1,1,0,0|2,0,0]=4 974 B8R1.5 CC1=CC=CNC1=O M68618 [0,0,1,1,0,0|2,0,0]=4 975 B8R1.5 CC1=NC=CN=C1N A14593 [0,0,1,1,0,0|2,0,0]=4 976 B8R1.5 CC1=NC=NC=C1N A14334 [0,0,1,1,0,0|2,0,0]=4 977 B8R1.5 NC1=C(F)C=CC=C1 F66698 [0,0,1,1,0,0|1,0,1]=4 978 B8R1.5 NC1=C(I)C=CC=C1 K67831 [0,0,1,1,0,0|1,0,1]=4 979 B8R1.5 NC1=CC=CN=C1Br A4535 [0,0,1,1,0,0|2,0,0]=4 980 B8R1.5 NC1=CC=CN=C1Cl C0716 [0,0,1,1,0,0|2,0,0]=4 981 B8R1.5 NC1=CC=CN=C1F F9484 [0,0,1,1,0,0|2,0,0]=4 982 B8R1.5 NC1=CC=CN=C1I K40887 [0,0,1,1,0,0|2,0,0]=4 983 B8R1.5 NC1=CC=CN=C1O A0666 [0,0,1,1,0,0|1,0,1]=4 984 B8R1.5 NC1=CC=CNC1=S A23408 [0,0,1,1,0,0|1,1,0]=4 985 B8R1.5 NC1=CN=CNC1=O A40131 [0,0,1,1,0,0|2,0,0]=4 986 B8R1.5 NC1=CNC=CC1=O A41025 [0,0,1,1,0,0|1,0,1]=4 987 B8R1.5 NC1=NC=CNC1=O A40130 [0,0,1,1,0,0|2,0,0]=4 988 B8R1.5 O=C1NC=CC=C1Br B12634 [0,0,1,1,0,0|2,0,0]=4 989 B8R1.5 O=C1OC=CC=C1O H39075 [0,0,1,1,0,0|2,0,0]=4 990 B10R2.320 O=C1CC2=C1C=CC=C2 B36727 [0,0,0,1,0,1|1,0,0]=3 991 B10R2.2 O=C1NC2=C(N1)SC=C2 T40779 [0,0,0,1,0,1|2,0,0]=4 992 B10R2.32 O=C1CCC2=C1C=CS2 D45612 [0,1,0,1,0,0|2,0,0]=4 993 B10R2.32 O=C1CCC2=C1SC=C2 C67539 [0,1,0,1,0,0|1,0,0]=3 994 B8R1.2 CCC1=NC=CN=C1 E43180 [1,0,0,0,0,1|0,0,2]=4 995 B8R1.2 CNC1=CC=CN=C1 M38086 [1,0,0,0,0,1|1,0,1]=4 996 B8R1.2 CNC1=CC=NC=C1 M68620 [1,0,0,0,0,1|2,0,0]=4 997 B8R1.2 CNC1=NC=CN=C1 M41140 [1,0,0,0,0,1|1,0,1]=4 998 B8R1.2 COC1=CC=NC=C1 M9391 [1,0,0,0,0,1|2,0,0]=4 999 B8R1.2 COC1=CN=CC=C1 M67978 [1,0,0,0,0,1|1,0,1]=4 1000 B8R1.2 COC1=NC=CC=C1 M39277 [1,0,0,0,0,1|1,0,1]=4 1001 B8R1.2 COC1=NC=CN=C1 M2768 [1,0,0,0,0,1|1,0,1]=4 1002 B8R1.2 COC1=NN=CC=C1 M41021 [1,0,0,0,0,1|1,0,1]=4 1003 B8R1.2 CSC1=NC=CC=N1 M2492 [1,0,0,0,0,1|1,0,1]=4 1004 B8R1.2 O=CC1=CC=NC=C1 P42598 [1,0,0,0,0,1|1,0,0]=3 1005 B8R1.2 O=CC1=CN=CC=C1 P13753 [1,0,0,0,0,1|0,0,1]=3 1006 B8R1.2 O=CC1=CN=CN=C1 F2817 [1,0,0,0,0,1|1,0,1]=4 1007 B8R1.2 O=CC1=CN=NC=C1 P7445 [1,0,0,0,0,1|1,0,1]=4 1008 B8R1.2 O=CC1=NC=CC=C1 P67836 [1,0,0,0,0,1|0,0,1]=3 1009 B8R1.2 O=CC1=NC=CC=N1 P0152 [1,0,0,0,0,1|0,0,1]=3 1010 B8R1.2 O=CC1=NC=CN=C1 P0148 [1,0,0,0,0,1|0,0,1]=3 1011 B8R1.2 O=CC1=NC=NC=C1 P40755 [1,0,0,0,0,1|0,0,1]=3 1012 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [0,0,0,0,0,2|1,0,0]=3 1013 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [0,0,0,0,0,2|0,0,1]=3 1014 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [0,0,0,0,0,2|1,0,0]=3 1015 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [0,0,0,0,0,2|0,0,1]=3 1016 B10R1.18 CC(=O)NC1=NC=CC=N1 P43093 [0,0,0,0,0,2|0,0,1]=3 1017 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [0,0,0,0,0,2|2,0,0]=4 1018 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [0,0,0,0,0,2|2,0,0]=4 1019 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [0,0,0,0,0,2|1,0,1]=4 1020 B10R1.18 NC(=O)CC1=NC=CC=N1 P43092 [0,0,0,0,0,2|1,0,1]=4 1021 B10R1.18 NC(=O)NC1=NC=CN=C1 P41097 [0,0,0,0,0,2|1,0,1]=4 1022 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [0,0,0,0,0,2|2,0,0]=4 1023 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [0,0,0,0,0,2|2,0,0]=4 1024 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [0,0,0,0,0,2|1,0,1]=4 1025 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [0,0,0,0,0,2|1,0,1]=4 1026 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [0,0,0,0,0,2|1,0,1]=4 1027 B10R1.18 O=C(O)CC1=NC=CC=N1 P0756 [0,0,0,0,0,2|1,0,1]=4 1028 B10R1.18 O=C(O)CC1=NC=CN=C1 P12241 [0,0,0,0,0,2|1,0,1]=4 1029 B10R1.18 O=C(O)CC1=NC=NC=C1 P12245 [0,0,0,0,0,2|1,0,1]=4 1030 B10R1.18 O=C(O)CC1=NN=CC=C1 P12243 [0,0,0,0,0,2|1,0,1]=4 1031 B10R1.18 O=C([O-])CC1=NC=CC=N1 P7450 [0,0,0,0,0,2|1,0,1]=4 1032 B10R1.18 O=C([O-])CC1=NN=CC=C1 P27036 [0,0,0,0,0,2|1,0,1]=4 1033 B10R1.66 CC(=O)OCC1=CC=CO1 F39416 [0,0,0,0,0,2|1,0,0]=3 1034 B10R1.66 CC(=S)OCC1=CC=CO1 F46246 [0,0,0,0,0,2|1,1,0]=4 1035 B10R1.66 O=C(O)CCC1=CC=CN1 P46404 [0,0,0,0,0,2|1,0,0]=3 1036 B10R1.66 O=C(O)CCC1=CC=CO1 F46252 [0,0,0,0,0,2|2,0,0]=4 1037 B10R1.66 O=C(O)CCC1=CC=CS1 T46244 [0,0,0,0,0,2|2,0,0]=4 1038 B10R1.66 O=C(O)CCC1=NC=CN1 I38399 [0,0,0,0,0,2|2,0,0]=4 1039 B10R1.66 O=C(O)\C=C\C1=CC=CO1 F24145 [0,0,0,0,0,2|2,0,0]=4 1040 B10R1.66 O=C(O)\C=C\C1=CC=CS1 T16653 [0,0,0,0,0,2|2,0,0]=4