0 B7R1.3 BrC1=CC=NC=C1 B2747 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 BrC1=CC=NC=C1 B65041 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 BrC1=CN=CC=C1 B2746 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 BrC1=CN=CN=C1 B2363 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 BrC1=CN=NN=C1 B39805 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.3 BrC1=NC=CC=N1 B2474 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 BrC1=NC=CN=C1 B40020 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.3 BrC1=NC=NC=C1 B62457 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 BrC1=NN=CC=C1 B26087 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.3 CC1=CC=CN=N1 M0216 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.3 CC1=CN=CN=C1 M41018 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 CC1=CN=NC=C1 M3532 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.3 CC1=NC=CC=N1 M68916 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.3 CC1=NC=CN=C1 M61917 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.3 CC1=NC=CN=N1 M36785 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.3 CC1=NC=NC=C1 M7491 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.3 C[N+]1=CC=CC=C1 M38728 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.3 ClC1=CC=NC=C1 C39170 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.3 ClC1=CN=CC=C1 C68367 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.3 ClC1=CN=CN=C1 C40022 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.3 ClC1=CN=NC=C1 C37590 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.3 ClC1=NC=CN=C1 C5165 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.3 ClC1=NC=NC=C1 C0425 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.3 ClC1=NN=CC=C1 C7487 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.3 FC1=CC=NC=C1 F2970 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.3 FC1=CN=CC=C1 F1892 [0,0,0,0,0,0|2,0,0]=2 26 B7R1.3 FC1=NC=CC=C1 F4862 [0,0,0,0,0,0|2,0,0]=2 27 B7R1.3 FC1=NC=CC=N1 F69151 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.3 FC1=NC=CN=C1 F40023 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.3 IC1=CC=CC=C1 I38419 [0,0,0,0,0,0|1,0,0]=1 30 B7R1.3 IC1=CC=NC=C1 I3870 [0,0,0,0,0,0|2,0,0]=2 31 B7R1.3 IC1=CN=CC=C1 I16635 [0,0,0,0,0,0|2,0,0]=2 32 B7R1.3 IC1=CN=CN=C1 K22993 [0,0,0,0,0,0|3,0,0]=3 33 B7R1.3 IC1=NC=CC=C1 K67594 [0,0,0,0,0,0|2,0,0]=2 34 B7R1.3 IC1=NC=CC=N1 K40026 [0,0,0,0,0,0|3,0,0]=3 35 B7R1.3 IC1=NC=CN=C1 I2669 [0,0,0,0,0,0|3,0,0]=3 36 B7R1.3 NC1=CC=CN=N1 A6039 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.3 NC1=CN=CN=C1 A5265 [0,0,0,0,0,0|3,0,0]=3 38 B7R1.3 NC1=CN=NC=C1 A3533 [0,0,0,0,0,0|3,0,0]=3 39 B7R1.3 NC1=CN=NC=C1 A7237 [0,0,0,0,0,0|3,0,0]=3 40 B7R1.3 NC1=NC=CC=C1 A23973 [0,0,0,0,0,0|2,0,0]=2 41 B7R1.3 NC1=NC=CN=C1 A15535 [0,0,0,0,0,0|3,0,0]=3 42 B7R1.3 NC1=NC=CN=N1 T67661 [0,0,0,0,0,0|4,0,0]=4 43 B7R1.3 NC1=NC=NC=C1 A12258 [0,0,0,0,0,0|3,0,0]=3 44 B7R1.3 O=C1C=CC=NN1 P5932 [0,0,0,0,0,0|2,0,1]=3 45 B7R1.3 O=C1C=CCCN1 D67780 [0,0,0,0,0,0|1,0,3]=4 46 B7R1.3 O=C1C=CCOC1 P26982 [0,0,0,0,0,0|1,0,3]=4 47 B7R1.3 O=C1C=CN=CN1 P0246 [0,0,0,0,0,0|2,0,1]=3 48 B7R1.3 O=C1C=COC=C1 P40862 [0,0,0,0,0,0|1,0,1]=2 49 B7R1.3 O=C1C=NC=CN1 H68630 [0,0,0,0,0,0|2,0,1]=3 50 B7R1.3 O=C1N=CC=CN1 P67458 [0,0,0,0,0,0|2,0,1]=3 51 B7R1.3 OC1=CC=NC=C1 H10331 [0,0,0,0,0,0|1,0,0]=1 52 B7R1.3 OC1=CN=CN=C1 H14432 [0,0,0,0,0,0|2,0,0]=2 53 B7R1.3 OC1=CN=NC=C1 H22270 [0,0,0,0,0,0|2,0,0]=2 54 B7R1.3 OC1=CN=NC=C1 P40299 [0,0,0,0,0,0|2,0,0]=2 55 B7R1.3 OC1=NC=CC=C1 P61113 [0,0,0,0,0,0|1,0,0]=1 56 B7R1.3 OC1=NC=NC=C1 P32223 [0,0,0,0,0,0|2,0,0]=2 57 B7R1.3 S=C1C=CN=CN1 P40081 [0,0,0,0,0,0|2,1,0]=3 58 B7R1.3 S=C1N=CC=CN1 P61565 [0,0,0,0,0,0|2,1,0]=3 59 B7R1.3 [Mg+]C1=CC=CC=C1 P31728 [0,0,0,0,0,0|1,0,0]=1 60 B7R1.3 [Mg+]C1=CN=CC=C1 P8350 [0,0,0,0,0,0|2,0,0]=2 61 B7R1.3 [Mg+]C1=NC=CC=C1 P8351 [0,0,0,0,0,0|2,0,0]=2 62 B6R1.1 C1=CC=CC=C1 B62491 [1,0,0,0,0,0|0,0,0]=1 63 B6R1.1 C1=CC=NC=C1 M38695 [1,0,0,0,0,0|1,0,0]=2 64 B6R1.1 C1=CC=NC=C1 P60750 [1,0,0,0,0,0|1,0,0]=2 65 B6R1.1 C1=CC=NC=C1 P60758 [1,0,0,0,0,0|1,0,0]=2 66 B6R1.1 C1=CC=NC=C1 P69056 [1,0,0,0,0,0|1,0,0]=2 67 B6R1.1 C1=CN=CC=N1 P39150 [1,0,0,0,0,0|2,0,0]=3 68 B6R1.1 C1=CN=NC=C1 P40319 [1,0,0,0,0,0|2,0,0]=3 69 B6R1.1 C1=CN=NC=C1 P67868 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.2 BrCC1=CC=NC=C1 B36897 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.2 BrCC1=CN=CC=C1 B23879 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.2 BrCC1=CN=CN=C1 B36879 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.2 BrCC1=NC=CC=C1 B42841 [0,1,0,0,0,0|2,0,0]=3 74 B8R1.2 BrCC1=NC=CN=C1 B36766 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.2 BrCC1=NC=NC=C1 B32305 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.2 BrCC1=NN=CC=C1 B36818 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.2 C#CC1=CC=CN=C1 E12479 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.2 C#CC1=CC=CN=N1 E7489 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.2 C#CC1=CC=NC=C1 E10312 [0,1,0,0,0,0|2,0,0]=3 80 B8R1.2 C#CC1=CC=NC=C1 E23238 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.2 C#CC1=CN=CN=C1 E14435 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.2 C#CC1=NC=CC=C1 E12434 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.2 C#CC1=NC=CC=N1 E23392 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.2 C#CC1=NC=CN=C1 E14588 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.2 CCC1=NC=CN=C1 E43180 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.2 CNC1=CC=CN=C1 M38086 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.2 CNC1=CC=NC=C1 M68620 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.2 CNC1=CN=CN=C1 M29839 [0,1,0,0,0,0|3,0,0]=4 89 B8R1.2 CNC1=CN=NC=C1 M38382 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.2 CNC1=NC=CN=C1 M41140 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.2 COC1=CC=NC=C1 M9391 [0,1,0,0,0,0|1,0,0]=2 92 B8R1.2 COC1=CN=CC=C1 M67978 [0,1,0,0,0,0|1,0,0]=2 93 B8R1.2 COC1=CN=NC=C1 M41023 [0,1,0,0,0,0|2,0,0]=3 94 B8R1.2 COC1=NC=CC=C1 M39277 [0,1,0,0,0,0|1,0,0]=2 95 B8R1.2 COC1=NC=CN=C1 M2768 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.2 COC1=NN=CC=C1 M41021 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.2 CSC1=NC=CC=N1 M2492 [0,1,0,0,0,0|2,1,0]=4 98 B8R1.2 ClCC1=CC=NC=C1 C68845 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.2 ClCC1=CN=CN=C1 C10228 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.2 ClCC1=NC=CC=C1 C67870 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.2 ClCC1=NC=CC=N1 C0153 [0,1,0,0,0,0|3,0,0]=4 102 B8R1.2 ClCC1=NC=CC=N1 C40877 [0,1,0,0,0,0|3,0,0]=4 103 B8R1.2 ClCC1=NC=CN=C1 C0149 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.2 ClCC1=NC=NC=C1 C40878 [0,1,0,0,0,0|3,0,0]=4 105 B8R1.2 ClCC1=NN=CC=C1 C0156 [0,1,0,0,0,0|3,0,0]=4 106 B8R1.2 N#CC1=CN=CN=C1 P0144 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.2 N#CC1=CN=NC=C1 C10224 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.2 N#CC1=NC=CC=N1 C12513 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.2 N#CC1=NC=CN=C1 C68117 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.2 N#CC1=NC=NC=C1 C12244 [0,1,0,0,0,0|3,0,0]=4 111 B8R1.2 N#CC1=NN=CC=C1 C7488 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.2 NCC1=CC=CN=C1 A69257 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.2 NCC1=CC=CN=N1 A0031 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.2 NCC1=CC=CN=N1 P29569 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.2 NCC1=CC=NC=C1 P67743 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.2 NCC1=CN=CN=C1 P0028 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.2 NCC1=CN=CN=C1 P29548 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.2 NCC1=CN=NC=C1 A0027 [0,1,0,0,0,0|3,0,0]=4 119 B8R1.2 NCC1=CN=NC=C1 P41350 [0,1,0,0,0,0|3,0,0]=4 120 B8R1.2 NCC1=NC=CC=N1 A7421 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.2 NCC1=NC=CC=N1 P0030 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.2 NCC1=NC=CN=C1 P0029 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.2 NCC1=NC=CN=C1 P4303 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.2 NCC1=NC=NC=C1 A0032 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.2 NCC1=NC=NC=C1 A10198 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.2 NCC1=NC=NC=C1 P23754 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.2 NNC1=CC=CC=C1 P68696 [0,1,0,0,0,0|1,0,0]=2 128 B8R1.2 NNC1=CC=CN=C1 H0043 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.2 NNC1=CC=CN=C1 H41349 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.2 NNC1=CC=NC=C1 H0042 [0,1,0,0,0,0|2,0,0]=3 131 B8R1.2 NNC1=NC=CC=C1 H38511 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.2 NNC1=NC=CN=C1 H0220 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.2 NOC1=CC=CC=C1 P43533 [0,1,0,0,0,0|0,0,0]=1 134 B8R1.2 O=CC1=CC=NC=C1 P42598 [0,1,0,0,0,0|1,0,1]=3 135 B8R1.2 O=CC1=CN=CC=C1 P13753 [0,1,0,0,0,0|1,0,1]=3 136 B8R1.2 O=CC1=CN=CN=C1 F2817 [0,1,0,0,0,0|2,0,1]=4 137 B8R1.2 O=CC1=CN=NC=C1 P7445 [0,1,0,0,0,0|2,0,1]=4 138 B8R1.2 O=CC1=NC=CC=C1 P67836 [0,1,0,0,0,0|1,0,1]=3 139 B8R1.2 O=CC1=NC=CC=N1 P0152 [0,1,0,0,0,0|2,0,1]=4 140 B8R1.2 O=CC1=NC=CN=C1 P0148 [0,1,0,0,0,0|2,0,1]=4 141 B8R1.2 O=CC1=NC=NC=C1 P40755 [0,1,0,0,0,0|2,0,1]=4 142 B8R1.2 OCC1=CC=NC=C1 P43429 [0,1,0,0,0,0|1,0,0]=2 143 B8R1.2 OCC1=CC=NC=C1 P67894 [0,1,0,0,0,0|1,0,0]=2 144 B8R1.2 OCC1=CN=CC=C1 P15946 [0,1,0,0,0,0|1,0,0]=2 145 B8R1.2 OCC1=CN=CN=C1 P0145 [0,1,0,0,0,0|2,0,0]=3 146 B8R1.2 OCC1=NC=CC=C1 P69303 [0,1,0,0,0,0|1,0,0]=2 147 B8R1.2 OCC1=NC=CC=N1 P0151 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.2 OCC1=NC=CN=C1 P0147 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.2 OCC1=NC=NC=C1 P0160 [0,1,0,0,0,0|2,0,0]=3 150 B8R1.2 OCC1=NN=CC=C1 P0155 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.2 ONC1=CC=CC=C1 P67873 [0,1,0,0,0,0|0,0,0]=1 152 B8R1.3 BrC1=CC=C(I)C=C1 B39232 [0,1,0,0,0,0|1,0,0]=2 153 B8R1.3 BrC1=CN=C(Br)C=C1 D4497 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.3 BrC1=CN=C(Br)C=N1 D3577 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.3 BrC1=CN=C(Br)N=C1 D9536 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.3 BrC1=CN=C(I)C=C1 B1586 [0,1,0,0,0,0|2,0,0]=3 157 B8R1.3 BrC1=CN=C(I)C=N1 B3582 [0,1,0,0,0,0|3,0,0]=4 158 B8R1.3 BrC1=CN=C(I)N=C1 B3076 [0,1,0,0,0,0|3,0,0]=4 159 B8R1.3 BrC1=NC=C(I)C=C1 B12390 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.3 BrC1=NC=C(I)C=N1 B39107 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.3 BrC1=NN=C(Br)C=C1 D1016 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.3 CC1=CC=C(C)N=N1 D43182 [0,1,0,0,0,0|3,0,0]=4 163 B8R1.3 CC1=CC=C(I)C=C1 K68149 [0,1,0,0,0,0|1,0,0]=2 164 B8R1.3 CC1=CC=C(N)N=N1 A0340 [0,1,0,0,0,0|3,0,0]=4 165 B8R1.3 CC1=CC=C([Mg+])C=C1 M31731 [0,1,0,0,0,0|1,0,0]=2 166 B8R1.3 CC1=CN=C(Br)C=C1 B4672 [0,1,0,0,0,0|2,0,0]=3 167 B8R1.3 CC1=CN=C(Br)C=N1 B14614 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.3 CC1=CN=C(Br)N=C1 B67690 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.3 CC1=CN=C(Cl)C=C1 C21968 [0,1,0,0,0,0|2,0,0]=3 170 B8R1.3 CC1=CN=C(Cl)C=N1 C40876 [0,1,0,0,0,0|3,0,0]=4 171 B8R1.3 CC1=CN=C(Cl)N=C1 C4929 [0,1,0,0,0,0|3,0,0]=4 172 B8R1.3 CC1=CN=C(F)C=C1 F22553 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.3 CC1=CN=C(N)C=C1 M20542 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.3 CC1=CN=C(N)C=N1 M14592 [0,1,0,0,0,0|3,0,0]=4 175 B8R1.3 CC1=CN=C(N)N=C1 A0080 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.3 CC1=CN=C(N)N=C1 M38708 [0,1,0,0,0,0|3,0,0]=4 177 B8R1.3 CC1=CN=C(O)C=C1 M63706 [0,1,0,0,0,0|1,0,0]=2 178 B8R1.3 CC1=CNC(=O)C=C1 M68372 [0,1,0,0,0,0|1,0,1]=3 179 B8R1.3 CC1=CNC(=O)C=N1 M68091 [0,1,0,0,0,0|2,0,1]=4 180 B8R1.3 CC1=NC=C(Br)C=C1 B5402 [0,1,0,0,0,0|2,0,0]=3 181 B8R1.3 CC1=NC=C(Br)C=N1 B0659 [0,1,0,0,0,0|3,0,0]=4 182 B8R1.3 CC1=NC=C(Cl)C=C1 C42845 [0,1,0,0,0,0|2,0,0]=3 183 B8R1.3 CC1=NC=C(Cl)C=N1 C40879 [0,1,0,0,0,0|3,0,0]=4 184 B8R1.3 CC1=NC=C(F)C=C1 F1117 [0,1,0,0,0,0|2,0,0]=3 185 B8R1.3 CC1=NC=C(F)C=N1 F40883 [0,1,0,0,0,0|3,0,0]=4 186 B8R1.3 CC1=NC=C(I)C=C1 I36966 [0,1,0,0,0,0|2,0,0]=3 187 B8R1.3 CC1=NC=C(N)C=C1 A1121 [0,1,0,0,0,0|2,0,0]=3 188 B8R1.3 CC1=NC=C(N)C=N1 A10293 [0,1,0,0,0,0|3,0,0]=4 189 B8R1.3 CC1=NC=C(O)C=C1 H4553 [0,1,0,0,0,0|1,0,0]=2 190 B8R1.3 CC1=NC=C(O)C=N1 M23235 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.3 CC1=NN=C(Br)C=C1 B10633 [0,1,0,0,0,0|3,0,0]=4 192 B8R1.3 CC1=NN=C(Cl)C=C1 C3219 [0,1,0,0,0,0|3,0,0]=4 193 B8R1.3 CC1=NN=C(I)C=C1 I10435 [0,1,0,0,0,0|3,0,0]=4 194 B8R1.3 CC1=NNC(=O)C=C1 M0242 [0,1,0,0,0,0|2,0,1]=4 195 B8R1.3 CC1=NNC(=O)C=C1 M25029 [0,1,0,0,0,0|2,0,1]=4 196 B8R1.3 CC1=NNC(=O)C=C1 M41309 [0,1,0,0,0,0|2,0,1]=4 197 B8R1.3 ClC1=CC=C(I)C=C1 C67848 [0,1,0,0,0,0|1,0,0]=2 198 B8R1.3 ClC1=CN=C(Br)C=C1 B4976 [0,1,0,0,0,0|2,0,0]=3 199 B8R1.3 ClC1=CN=C(Br)C=N1 B3581 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.3 ClC1=CN=C(Br)N=C1 B17946 [0,1,0,0,0,0|3,0,0]=4 201 B8R1.3 ClC1=CN=C(Cl)C=C1 D4510 [0,1,0,0,0,0|2,0,0]=3 202 B8R1.3 ClC1=CN=C(Cl)C=N1 D3587 [0,1,0,0,0,0|3,0,0]=4 203 B8R1.3 ClC1=CN=C(Cl)N=C1 D3914 [0,1,0,0,0,0|3,0,0]=4 204 B8R1.3 ClC1=CN=C(I)C=C1 I4551 [0,1,0,0,0,0|2,0,0]=3 205 B8R1.3 ClC1=CN=C(I)C=N1 C39982 [0,1,0,0,0,0|3,0,0]=4 206 B8R1.3 ClC1=CN=C(I)N=C1 C4724 [0,1,0,0,0,0|3,0,0]=4 207 B8R1.3 ClC1=NC=C(Br)C=C1 B3973 [0,1,0,0,0,0|2,0,0]=3 208 B8R1.3 ClC1=NC=C(Br)C=N1 B2217 [0,1,0,0,0,0|3,0,0]=4 209 B8R1.3 ClC1=NC=C(I)C=C1 C24918 [0,1,0,0,0,0|2,0,0]=3 210 B8R1.3 ClC1=NC=C(I)C=N1 C6980 [0,1,0,0,0,0|3,0,0]=4 211 B8R1.3 ClC1=NN=C(Br)C=C1 B38795 [0,1,0,0,0,0|3,0,0]=4 212 B8R1.3 ClC1=NN=C(I)C=C1 C12055 [0,1,0,0,0,0|3,0,0]=4 213 B8R1.3 FC1=CC=C(Br)C=C1 B39231 [0,1,0,0,0,0|1,0,0]=2 214 B8R1.3 FC1=CC=C(I)C=C1 F39236 [0,1,0,0,0,0|1,0,0]=2 215 B8R1.3 FC1=CC=C(S)C=C1 F42373 [0,1,0,0,0,0|0,1,0]=2 216 B8R1.3 FC1=CC=C([Mg+])C=C1 F31733 [0,1,0,0,0,0|1,0,0]=2 217 B8R1.3 FC1=CN=C(Br)C=C1 B40635 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.3 FC1=CN=C(Br)C=N1 B39978 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.3 FC1=CN=C(Br)N=C1 B4878 [0,1,0,0,0,0|3,0,0]=4 220 B8R1.3 FC1=CN=C(Cl)C=C1 C40641 [0,1,0,0,0,0|2,0,0]=3 221 B8R1.3 FC1=CN=C(Cl)N=C1 C2722 [0,1,0,0,0,0|3,0,0]=4 222 B8R1.3 FC1=CN=C(F)C=C1 D40649 [0,1,0,0,0,0|2,0,0]=3 223 B8R1.3 FC1=CN=C(I)C=C1 F38230 [0,1,0,0,0,0|2,0,0]=3 224 B8R1.3 FC1=NC=C(Br)C=C1 B4730 [0,1,0,0,0,0|2,0,0]=3 225 B8R1.3 FC1=NC=C(Br)C=N1 B2219 [0,1,0,0,0,0|3,0,0]=4 226 B8R1.3 FC1=NC=C(Cl)C=C1 C40644 [0,1,0,0,0,0|2,0,0]=3 227 B8R1.3 FC1=NC=C(I)C=C1 F40650 [0,1,0,0,0,0|2,0,0]=3 228 B8R1.3 FC1=NC=C(I)C=N1 F39986 [0,1,0,0,0,0|3,0,0]=4 229 B8R1.3 FC1=NN=C(Br)C=C1 B37510 [0,1,0,0,0,0|3,0,0]=4 230 B8R1.3 FC1=NN=C(F)C=C1 D3618 [0,1,0,0,0,0|3,0,0]=4 231 B8R1.3 IC1=CC=C(I)C=C1 D39237 [0,1,0,0,0,0|1,0,0]=2 232 B8R1.3 IC1=NN=C(I)C=C1 D39988 [0,1,0,0,0,0|3,0,0]=4 233 B8R1.3 NC1=CC=C(I)C=C1 K68110 [0,1,0,0,0,0|1,0,0]=2 234 B8R1.3 NC1=CC=C(N)N=N1 P3643 [0,1,0,0,0,0|3,0,0]=4 235 B8R1.3 NC1=CN=C(Br)C=C1 A4783 [0,1,0,0,0,0|2,0,0]=3 236 B8R1.3 NC1=CN=C(Br)C=N1 A2854 [0,1,0,0,0,0|3,0,0]=4 237 B8R1.3 NC1=CN=C(Br)N=C1 A12920 [0,1,0,0,0,0|3,0,0]=4 238 B8R1.3 NC1=CN=C(Cl)C=C1 C39174 [0,1,0,0,0,0|2,0,0]=3 239 B8R1.3 NC1=CN=C(Cl)C=N1 A0684 [0,1,0,0,0,0|3,0,0]=4 240 B8R1.3 NC1=CN=C(Cl)N=C1 A3768 [0,1,0,0,0,0|3,0,0]=4 241 B8R1.3 NC1=CN=C(F)C=C1 A12653 [0,1,0,0,0,0|2,0,0]=3 242 B8R1.3 NC1=CN=C(I)C=C1 A40889 [0,1,0,0,0,0|2,0,0]=3 243 B8R1.3 NC1=CN=C(I)C=N1 A40087 [0,1,0,0,0,0|3,0,0]=4 244 B8R1.3 NC1=CN=C(N)C=N1 P40199 [0,1,0,0,0,0|3,0,0]=4 245 B8R1.3 NC1=CN=C(N)C=N1 P40324 [0,1,0,0,0,0|3,0,0]=4 246 B8R1.3 NC1=NC=C(Br)C=C1 A5382 [0,1,0,0,0,0|2,0,0]=3 247 B8R1.3 NC1=NC=C(Br)C=N1 A0339 [0,1,0,0,0,0|3,0,0]=4 248 B8R1.3 NC1=NC=C(Cl)C=N1 A9537 [0,1,0,0,0,0|3,0,0]=4 249 B8R1.3 NC1=NC=C(F)C=C1 A3607 [0,1,0,0,0,0|2,0,0]=3 250 B8R1.3 NC1=NC=C(F)C=N1 F40086 [0,1,0,0,0,0|3,0,0]=4 251 B8R1.3 NC1=NC=C(I)C=C1 K4516 [0,1,0,0,0,0|2,0,0]=3 252 B8R1.3 NC1=NC=C(I)C=N1 A40089 [0,1,0,0,0,0|3,0,0]=4 253 B8R1.3 NC1=NC=C(O)C=N1 A4017 [0,1,0,0,0,0|2,0,0]=3 254 B8R1.3 NC1=NN=C(Br)C=C1 A0262 [0,1,0,0,0,0|3,0,0]=4 255 B8R1.3 NC1=NN=C(Cl)C=C1 A2844 [0,1,0,0,0,0|3,0,0]=4 256 B8R1.3 NC1=NN=C(F)C=C1 F3619 [0,1,0,0,0,0|3,0,0]=4 257 B8R1.3 NC1=NN=C(I)C=C1 A0591 [0,1,0,0,0,0|3,0,0]=4 258 B8R1.3 NC1=NNC(=O)C=C1 A40132 [0,1,0,0,0,0|2,0,1]=4 259 B8R1.3 O=C1C=CC(Br)=NN1 B38928 [0,1,0,0,0,0|2,0,1]=4 260 B8R1.3 O=C1C=CC(Cl)=CN1 C68182 [0,1,0,0,0,0|1,0,1]=3 261 B8R1.3 O=C1C=CC(I)=CN1 K40860 [0,1,0,0,0,0|1,0,1]=3 262 B8R1.3 O=C1C=CC(O)=CN1 H67757 [0,1,0,0,0,0|1,0,0]=2 263 B8R1.3 O=C1N=CC(Cl)=CN1 C69555 [0,1,0,0,0,0|2,0,1]=4 264 B8R1.3 O=C1N=CC(F)=CN1 F68054 [0,1,0,0,0,0|2,0,1]=4 265 B8R1.3 O=C1N=CC(I)=CN1 K40045 [0,1,0,0,0,0|2,0,1]=4 266 B8R1.3 OC1=CC=C(F)C=C1 F68080 [0,1,0,0,0,0|0,0,0]=1 267 B8R1.3 OC1=CN=C(Br)C=C1 B0344 [0,1,0,0,0,0|1,0,0]=2 268 B8R1.3 OC1=CN=C(Br)C=N1 B14598 [0,1,0,0,0,0|2,0,0]=3 269 B8R1.3 OC1=CN=C(Br)N=C1 B7907 [0,1,0,0,0,0|2,0,0]=3 270 B8R1.3 OC1=CN=C(Cl)C=C1 C4788 [0,1,0,0,0,0|1,0,0]=2 271 B8R1.3 OC1=CN=C(Cl)C=N1 C38694 [0,1,0,0,0,0|2,0,0]=3 272 B8R1.3 OC1=CN=C(Cl)N=C1 C0498 [0,1,0,0,0,0|2,0,0]=3 273 B8R1.3 OC1=CN=C(F)C=C1 F5147 [0,1,0,0,0,0|1,0,0]=2 274 B8R1.3 OC1=NC=C(Br)C=C1 B39171 [0,1,0,0,0,0|1,0,0]=2 275 B8R1.3 OC1=NC=C(Br)C=C1 B39172 [0,1,0,0,0,0|1,0,0]=2 276 B8R1.3 OC1=NC=C(Br)C=N1 B2618 [0,1,0,0,0,0|2,0,0]=3 277 B8R1.3 OC1=NC=C(F)C=C1 F36674 [0,1,0,0,0,0|1,0,0]=2 278 B8R1.3 OC1=NC=C(I)C=C1 K40858 [0,1,0,0,0,0|1,0,0]=2 279 B8R1.3 OC1=NN=C(Cl)C=C1 C3188 [0,1,0,0,0,0|2,0,0]=3 280 B8R1.3 SC1=CC=C(Br)C=C1 B60845 [0,1,0,0,0,0|0,1,0]=2 281 B8R1.3 SC1=CC=C(S)C=C1 B63577 [0,1,0,0,0,0|0,1,0]=2 282 B8R1.3 SC1=NC=C(Br)C=C1 B40822 [0,1,0,0,0,0|1,1,0]=3 283 B8R1.3 [Mg+]C1=CC=C(Cl)C=C1 C31752 [0,1,0,0,0,0|1,0,0]=2 284 B8R1.3 [O-][N+]1=CC=C(Br)C=C1 B40840 [0,1,0,0,0,0|1,0,1]=3 285 B8R1.3 [O-][N+]1=CC=C(F)C=C1 F11009 [0,1,0,0,0,0|1,0,1]=3 286 B8R1.4 BrC1=CC(Br)=NC=C1 D2494 [0,1,0,0,0,0|2,0,0]=3 287 B8R1.4 BrC1=CC(Br)=NC=N1 D7414 [0,1,0,0,0,0|3,0,0]=4 288 B8R1.4 BrC1=CC(I)=CN=C1 B22533 [0,1,0,0,0,0|2,0,0]=3 289 B8R1.4 BrC1=CC=CC(Br)=N1 D24616 [0,1,0,0,0,0|2,0,0]=3 290 B8R1.4 BrC1=CC=CC(I)=C1 B24425 [0,1,0,0,0,0|1,0,0]=2 291 B8R1.4 BrC1=CC=CC(I)=N1 B40637 [0,1,0,0,0,0|2,0,0]=3 292 B8R1.4 BrC1=CC=NC(Br)=N1 D12195 [0,1,0,0,0,0|3,0,0]=4 293 B8R1.4 BrC1=CN=CC(Br)=C1 D2466 [0,1,0,0,0,0|2,0,0]=3 294 B8R1.4 BrC1=CN=CC(Br)=N1 D39976 [0,1,0,0,0,0|3,0,0]=4 295 B8R1.4 BrC1=NC=CC(I)=C1 B15186 [0,1,0,0,0,0|2,0,0]=3 296 B8R1.4 CC1=CC(=O)NC=N1 M41027 [0,1,0,0,0,0|2,0,1]=4 297 B8R1.4 CC1=CC(=O)NN=C1 M5789 [0,1,0,0,0,0|2,0,1]=4 298 B8R1.4 CC1=CC(=S)NC=N1 M41054 [0,1,0,0,0,0|2,1,0]=4 299 B8R1.4 CC1=CC(Br)=CN=C1 B10806 [0,1,0,0,0,0|2,0,0]=3 300 B8R1.4 CC1=CC(Br)=NC=C1 B5404 [0,1,0,0,0,0|2,0,0]=3 301 B8R1.4 CC1=CC(Br)=NC=N1 B40871 [0,1,0,0,0,0|3,0,0]=4 302 B8R1.4 CC1=CC(C)=NC=N1 D7855 [0,1,0,0,0,0|3,0,0]=4 303 B8R1.4 CC1=CC(Cl)=CN=C1 C22076 [0,1,0,0,0,0|2,0,0]=3 304 B8R1.4 CC1=CC(Cl)=NC=C1 C4515 [0,1,0,0,0,0|2,0,0]=3 305 B8R1.4 CC1=CC(Cl)=NC=N1 C11796 [0,1,0,0,0,0|3,0,0]=4 306 B8R1.4 CC1=CC(Cl)=NN=C1 C2948 [0,1,0,0,0,0|3,0,0]=4 307 B8R1.4 CC1=CC(F)=CN=C1 F42848 [0,1,0,0,0,0|2,0,0]=3 308 B8R1.4 CC1=CC(N)=NC=C1 M67573 [0,1,0,0,0,0|2,0,0]=3 309 B8R1.4 CC1=CC(N)=NC=N1 M8922 [0,1,0,0,0,0|3,0,0]=4 310 B8R1.4 CC1=CC(O)=CN=C1 H23648 [0,1,0,0,0,0|1,0,0]=2 311 B8R1.4 CC1=CC(O)=NC=C1 M18825 [0,1,0,0,0,0|1,0,0]=2 312 B8R1.4 CC1=CC=CC(=O)N1 M23064 [0,1,0,0,0,0|1,0,1]=3 313 B8R1.4 CC1=CC=CC(Br)=N1 B39267 [0,1,0,0,0,0|2,0,0]=3 314 B8R1.4 CC1=CC=CC(Cl)=N1 C4547 [0,1,0,0,0,0|2,0,0]=3 315 B8R1.4 CC1=CC=CC(F)=N1 F39268 [0,1,0,0,0,0|2,0,0]=3 316 B8R1.4 CC1=CC=CC(I)=C1 K68735 [0,1,0,0,0,0|1,0,0]=2 317 B8R1.4 CC1=CC=CC(I)=N1 K42850 [0,1,0,0,0,0|2,0,0]=3 318 B8R1.4 CC1=CC=CC(N)=N1 A13755 [0,1,0,0,0,0|2,0,0]=3 319 B8R1.4 CC1=CC=CC(S)=N1 M38177 [0,1,0,0,0,0|1,1,0]=3 320 B8R1.4 CC1=CC=CC([Mg+])=C1 M31730 [0,1,0,0,0,0|1,0,0]=2 321 B8R1.4 CC1=CC=NC(Br)=N1 B40870 [0,1,0,0,0,0|3,0,0]=4 322 B8R1.4 CC1=CC=NC(C)=N1 D43181 [0,1,0,0,0,0|3,0,0]=4 323 B8R1.4 CC1=CC=NC(Cl)=N1 C3497 [0,1,0,0,0,0|3,0,0]=4 324 B8R1.4 CC1=CC=NC(I)=N1 I37139 [0,1,0,0,0,0|3,0,0]=4 325 B8R1.4 CC1=CC=NC(N)=N1 M41141 [0,1,0,0,0,0|3,0,0]=4 326 B8R1.4 CC1=CC=NC(O)=N1 M68180 [0,1,0,0,0,0|2,0,0]=3 327 B8R1.4 CC1=CN=CC(Br)=N1 B38752 [0,1,0,0,0,0|3,0,0]=4 328 B8R1.4 CC1=CN=CC(C)=N1 D69480 [0,1,0,0,0,0|3,0,0]=4 329 B8R1.4 CC1=CN=CC(Cl)=N1 C37906 [0,1,0,0,0,0|3,0,0]=4 330 B8R1.4 CC1=CN=CC(N)=C1 A4718 [0,1,0,0,0,0|2,0,0]=3 331 B8R1.4 CC1=CN=CC(N)=N1 M41139 [0,1,0,0,0,0|3,0,0]=4 332 B8R1.4 CC1=CN=CC(O)=N1 M67557 [0,1,0,0,0,0|2,0,0]=3 333 B8R1.4 CC1=NC=CC(=O)N1 M41026 [0,1,0,0,0,0|2,0,1]=4 334 B8R1.4 CC1=NC=CC(Br)=C1 B1746 [0,1,0,0,0,0|2,0,0]=3 335 B8R1.4 CC1=NC=CC(Br)=N1 B32286 [0,1,0,0,0,0|3,0,0]=4 336 B8R1.4 CC1=NC=CC(Cl)=C1 C42842 [0,1,0,0,0,0|2,0,0]=3 337 B8R1.4 CC1=NC=CC(Cl)=N1 C11598 [0,1,0,0,0,0|3,0,0]=4 338 B8R1.4 CC1=NC=CC(F)=C1 F67675 [0,1,0,0,0,0|2,0,0]=3 339 B8R1.4 CC1=NC=CC(I)=C1 K42851 [0,1,0,0,0,0|2,0,0]=3 340 B8R1.4 CC1=NC=CC(N)=C1 A12847 [0,1,0,0,0,0|2,0,0]=3 341 B8R1.4 CC1=NC=CC(N)=N1 M9010 [0,1,0,0,0,0|3,0,0]=4 342 B8R1.4 CC1=NC=CC(O)=C1 H1019 [0,1,0,0,0,0|1,0,0]=2 343 B8R1.4 CC1=NC=CC(O)=N1 M69189 [0,1,0,0,0,0|2,0,0]=3 344 B8R1.4 ClC1=CC(Br)=CN=C1 B5214 [0,1,0,0,0,0|2,0,0]=3 345 B8R1.4 ClC1=CC(Br)=CN=N1 B17337 [0,1,0,0,0,0|3,0,0]=4 346 B8R1.4 ClC1=CC(Br)=NC=C1 B2615 [0,1,0,0,0,0|2,0,0]=3 347 B8R1.4 ClC1=CC(Cl)=NC=C1 D31097 [0,1,0,0,0,0|2,0,0]=3 348 B8R1.4 ClC1=CC(Cl)=NN=C1 D39979 [0,1,0,0,0,0|3,0,0]=4 349 B8R1.4 ClC1=CC(I)=CN=C1 C40646 [0,1,0,0,0,0|2,0,0]=3 350 B8R1.4 ClC1=CC(I)=NC=C1 C37780 [0,1,0,0,0,0|2,0,0]=3 351 B8R1.4 ClC1=CC(I)=NC=N1 C39983 [0,1,0,0,0,0|3,0,0]=4 352 B8R1.4 ClC1=CC=CC(Br)=C1 B68310 [0,1,0,0,0,0|1,0,0]=2 353 B8R1.4 ClC1=CC=CC(Br)=N1 B4770 [0,1,0,0,0,0|2,0,0]=3 354 B8R1.4 ClC1=CC=CC(Cl)=N1 D69309 [0,1,0,0,0,0|2,0,0]=3 355 B8R1.4 ClC1=CC=CC(I)=C1 C39234 [0,1,0,0,0,0|1,0,0]=2 356 B8R1.4 ClC1=CC=CC(I)=N1 C36686 [0,1,0,0,0,0|2,0,0]=3 357 B8R1.4 ClC1=CC=NC(Cl)=N1 D2489 [0,1,0,0,0,0|3,0,0]=4 358 B8R1.4 ClC1=CN=CC(Cl)=C1 D22607 [0,1,0,0,0,0|2,0,0]=3 359 B8R1.4 ClC1=CN=CC(Cl)=N1 D2303 [0,1,0,0,0,0|3,0,0]=4 360 B8R1.4 ClC1=NC=CC(Br)=C1 B2879 [0,1,0,0,0,0|2,0,0]=3 361 B8R1.4 ClC1=NC=CC(Br)=N1 B39977 [0,1,0,0,0,0|3,0,0]=4 362 B8R1.4 ClC1=NC=CC(I)=C1 C2347 [0,1,0,0,0,0|2,0,0]=3 363 B8R1.4 FC1=CC(Br)=CN=C1 B4562 [0,1,0,0,0,0|2,0,0]=3 364 B8R1.4 FC1=CC(Br)=NC=C1 B4916 [0,1,0,0,0,0|2,0,0]=3 365 B8R1.4 FC1=CC(Cl)=CN=C1 C40642 [0,1,0,0,0,0|2,0,0]=3 366 B8R1.4 FC1=CC(Cl)=NC=C1 C40640 [0,1,0,0,0,0|2,0,0]=3 367 B8R1.4 FC1=CC(F)=NC=C1 D12477 [0,1,0,0,0,0|2,0,0]=3 368 B8R1.4 FC1=CC(F)=NC=N1 D39984 [0,1,0,0,0,0|3,0,0]=4 369 B8R1.4 FC1=CC(I)=CN=C1 F40651 [0,1,0,0,0,0|2,0,0]=3 370 B8R1.4 FC1=CC=CC(Br)=N1 B2593 [0,1,0,0,0,0|2,0,0]=3 371 B8R1.4 FC1=CC=CC(Cl)=N1 C39168 [0,1,0,0,0,0|2,0,0]=3 372 B8R1.4 FC1=CC=CC(F)=N1 D5153 [0,1,0,0,0,0|2,0,0]=3 373 B8R1.4 FC1=CC=CC(I)=C1 F39235 [0,1,0,0,0,0|1,0,0]=2 374 B8R1.4 FC1=CC=CC([Mg+])=C1 F31732 [0,1,0,0,0,0|1,0,0]=2 375 B8R1.4 FC1=CN=CC(F)=C1 D2972 [0,1,0,0,0,0|2,0,0]=3 376 B8R1.4 FC1=NC=CC(Br)=C1 B2295 [0,1,0,0,0,0|2,0,0]=3 377 B8R1.4 FC1=NC=CC(Cl)=C1 C40643 [0,1,0,0,0,0|2,0,0]=3 378 B8R1.4 FC1=NC=CC(Cl)=N1 C24022 [0,1,0,0,0,0|3,0,0]=4 379 B8R1.4 FC1=NC=CC(I)=C1 F2382 [0,1,0,0,0,0|2,0,0]=3 380 B8R1.4 IC1=CC(I)=NC=N1 D2601 [0,1,0,0,0,0|3,0,0]=4 381 B8R1.4 IC1=CC=CC(I)=C1 D36613 [0,1,0,0,0,0|1,0,0]=2 382 B8R1.4 IC1=CC=NC(I)=N1 D39987 [0,1,0,0,0,0|3,0,0]=4 383 B8R1.4 IC1=CN=CC(I)=C1 D7814 [0,1,0,0,0,0|2,0,0]=3 384 B8R1.4 IC1=CN=CC(I)=N1 D2671 [0,1,0,0,0,0|3,0,0]=4 385 B8R1.4 NC1=CC(=O)NC=C1 A0052 [0,1,0,0,0,0|1,0,1]=3 386 B8R1.4 NC1=CC(=O)NN=C1 A12960 [0,1,0,0,0,0|2,0,1]=4 387 B8R1.4 NC1=CC(Br)=CN=C1 A4523 [0,1,0,0,0,0|2,0,0]=3 388 B8R1.4 NC1=CC(Br)=CN=N1 B37663 [0,1,0,0,0,0|3,0,0]=4 389 B8R1.4 NC1=CC(Br)=NC=C1 A2493 [0,1,0,0,0,0|2,0,0]=3 390 B8R1.4 NC1=CC(Br)=NC=N1 A40083 [0,1,0,0,0,0|3,0,0]=4 391 B8R1.4 NC1=CC(Cl)=CN=C1 C22457 [0,1,0,0,0,0|2,0,0]=3 392 B8R1.4 NC1=CC(Cl)=CN=N1 C10645 [0,1,0,0,0,0|3,0,0]=4 393 B8R1.4 NC1=CC(Cl)=NC=C1 A4859 [0,1,0,0,0,0|2,0,0]=3 394 B8R1.4 NC1=CC(Cl)=NC=N1 A3588 [0,1,0,0,0,0|3,0,0]=4 395 B8R1.4 NC1=CC(Cl)=NN=C1 C14721 [0,1,0,0,0,0|3,0,0]=4 396 B8R1.4 NC1=CC(F)=CN=C1 F40881 [0,1,0,0,0,0|2,0,0]=3 397 B8R1.4 NC1=CC(F)=NC=C1 A10494 [0,1,0,0,0,0|2,0,0]=3 398 B8R1.4 NC1=CC(I)=NC=N1 K40088 [0,1,0,0,0,0|3,0,0]=4 399 B8R1.4 NC1=CC(O)=CN=C1 A41024 [0,1,0,0,0,0|1,0,0]=2 400 B8R1.4 NC1=CC(O)=CN=C1 A41394 [0,1,0,0,0,0|1,0,0]=2 401 B8R1.4 NC1=CC(O)=NC=C1 A41022 [0,1,0,0,0,0|1,0,0]=2 402 B8R1.4 NC1=CC(O)=NC=N1 A37595 [0,1,0,0,0,0|2,0,0]=3 403 B8R1.4 NC1=CC=CC(Br)=N1 A1106 [0,1,0,0,0,0|2,0,0]=3 404 B8R1.4 NC1=CC=CC(Cl)=N1 A1775 [0,1,0,0,0,0|2,0,0]=3 405 B8R1.4 NC1=CC=CC(F)=N1 A40882 [0,1,0,0,0,0|2,0,0]=3 406 B8R1.4 NC1=CC=CC(I)=C1 I37843 [0,1,0,0,0,0|1,0,0]=2 407 B8R1.4 NC1=CC=CC(I)=N1 K40888 [0,1,0,0,0,0|2,0,0]=3 408 B8R1.4 NC1=CC=CC(N)=N1 P69294 [0,1,0,0,0,0|2,0,0]=3 409 B8R1.4 NC1=CC=CC(O)=N1 A3198 [0,1,0,0,0,0|1,0,0]=2 410 B8R1.4 NC1=CC=NC(Br)=N1 A40082 [0,1,0,0,0,0|3,0,0]=4 411 B8R1.4 NC1=CC=NC(Cl)=N1 A0247 [0,1,0,0,0,0|3,0,0]=4 412 B8R1.4 NC1=CC=NC(F)=N1 F30033 [0,1,0,0,0,0|3,0,0]=4 413 B8R1.4 NC1=CN=CC(Br)=N1 B24169 [0,1,0,0,0,0|3,0,0]=4 414 B8R1.4 NC1=CN=CC(Cl)=N1 A2337 [0,1,0,0,0,0|3,0,0]=4 415 B8R1.4 NC1=CN=CC(N)=C1 P41138 [0,1,0,0,0,0|2,0,0]=3 416 B8R1.4 NC1=CN=CC(N)=N1 P40325 [0,1,0,0,0,0|3,0,0]=4 417 B8R1.4 NC1=NC=CC(=O)N1 A7573 [0,1,0,0,0,0|2,0,1]=4 418 B8R1.4 NC1=NC=CC(Br)=C1 A4983 [0,1,0,0,0,0|2,0,0]=3 419 B8R1.4 NC1=NC=CC(Br)=N1 A7574 [0,1,0,0,0,0|3,0,0]=4 420 B8R1.4 NC1=NC=CC(Cl)=C1 A1518 [0,1,0,0,0,0|2,0,0]=3 421 B8R1.4 NC1=NC=CC(Cl)=N1 A1533 [0,1,0,0,0,0|3,0,0]=4 422 B8R1.4 NC1=NC=CC(F)=C1 A2971 [0,1,0,0,0,0|2,0,0]=3 423 B8R1.4 NC1=NC=CC(F)=N1 F13613 [0,1,0,0,0,0|3,0,0]=4 424 B8R1.4 NC1=NC=CC(I)=C1 A8059 [0,1,0,0,0,0|2,0,0]=3 425 B8R1.4 NC1=NC=CC(I)=N1 A13614 [0,1,0,0,0,0|3,0,0]=4 426 B8R1.4 NC1=NC=CC(O)=C1 A41020 [0,1,0,0,0,0|1,0,0]=2 427 B8R1.4 O=C1C=C(Br)C=CN1 B11835 [0,1,0,0,0,0|1,0,1]=3 428 B8R1.4 O=C1C=C(Cl)C=NN1 C24776 [0,1,0,0,0,0|2,0,1]=4 429 B8R1.4 O=C1C=C(Cl)N=CN1 C23826 [0,1,0,0,0,0|2,0,1]=4 430 B8R1.4 O=C1C=C(F)C=CN1 F32104 [0,1,0,0,0,0|1,0,1]=3 431 B8R1.4 O=C1C=C(I)C=CN1 K40859 [0,1,0,0,0,0|1,0,1]=3 432 B8R1.4 O=C1C=C(I)C=NN1 I1957 [0,1,0,0,0,0|2,0,1]=4 433 B8R1.4 O=C1C=C(O)C=CN1 H69391 [0,1,0,0,0,0|1,0,0]=2 434 B8R1.4 O=C1C=CC=C(Br)N1 B13719 [0,1,0,0,0,0|1,0,1]=3 435 B8R1.4 O=C1C=CC=C(Cl)N1 C40846 [0,1,0,0,0,0|1,0,1]=3 436 B8R1.4 OC1=CC(Br)=CN=C1 B13207 [0,1,0,0,0,0|1,0,0]=2 437 B8R1.4 OC1=CC(Br)=NC=C1 B9469 [0,1,0,0,0,0|1,0,0]=2 438 B8R1.4 OC1=CC(Br)=NC=N1 B40039 [0,1,0,0,0,0|2,0,0]=3 439 B8R1.4 OC1=CC(Cl)=CN=C1 C40849 [0,1,0,0,0,0|1,0,0]=2 440 B8R1.4 OC1=CC(Cl)=NC=C1 C4756 [0,1,0,0,0,0|1,0,0]=2 441 B8R1.4 OC1=CC(F)=CN=C1 F40851 [0,1,0,0,0,0|1,0,0]=2 442 B8R1.4 OC1=CC(O)=NC=C1 P61417 [0,1,0,0,0,0|1,0,0]=2 443 B8R1.4 OC1=CC=CC(F)=C1 F69298 [0,1,0,0,0,0|0,0,0]=1 444 B8R1.4 OC1=CC=CC(F)=N1 F40852 [0,1,0,0,0,0|1,0,0]=2 445 B8R1.4 OC1=CC=CC(I)=C1 K42723 [0,1,0,0,0,0|0,0,0]=1 446 B8R1.4 OC1=CC=NC(Cl)=N1 C24271 [0,1,0,0,0,0|2,0,0]=3 447 B8R1.4 OC1=CN=CC(Cl)=N1 C40042 [0,1,0,0,0,0|2,0,0]=3 448 B8R1.4 OC1=CN=CC(O)=C1 P28714 [0,1,0,0,0,0|1,0,0]=2 449 B8R1.4 OC1=NC=CC(Cl)=C1 C40848 [0,1,0,0,0,0|1,0,0]=2 450 B8R1.4 [Mg+]C1=CC=CC(Cl)=C1 C31751 [0,1,0,0,0,0|1,0,0]=2 451 B8R1.4 [O-][N+]1=CC=CC(F)=C1 F0791 [0,1,0,0,0,0|1,0,1]=3 452 B8R1.5 BrC1=C(Br)C=NC=C1 D37531 [0,1,0,0,0,0|2,0,0]=3 453 B8R1.5 BrC1=C(I)C=CC=C1 B38417 [0,1,0,0,0,0|1,0,0]=2 454 B8R1.5 BrC1=C(I)C=CC=N1 B40636 [0,1,0,0,0,0|2,0,0]=3 455 B8R1.5 BrC1=C(I)C=CN=C1 B40638 [0,1,0,0,0,0|2,0,0]=3 456 B8R1.5 BrC1=C(I)C=NC=C1 B38878 [0,1,0,0,0,0|2,0,0]=3 457 B8R1.5 BrC1=CN=CN=C1I B14433 [0,1,0,0,0,0|3,0,0]=4 458 B8R1.5 BrC1=NC=CN=C1Br D39975 [0,1,0,0,0,0|3,0,0]=4 459 B8R1.5 CC1=C(Br)C=CC=N1 B10407 [0,1,0,0,0,0|2,0,0]=3 460 B8R1.5 CC1=C(Br)C=CN=C1 B10400 [0,1,0,0,0,0|2,0,0]=3 461 B8R1.5 CC1=C(Br)C=NC=C1 B3515 [0,1,0,0,0,0|2,0,0]=3 462 B8R1.5 CC1=C(Br)C=NC=N1 B14434 [0,1,0,0,0,0|3,0,0]=4 463 B8R1.5 CC1=C(Cl)C=CC=N1 C42843 [0,1,0,0,0,0|2,0,0]=3 464 B8R1.5 CC1=C(Cl)C=CN=C1 C68326 [0,1,0,0,0,0|2,0,0]=3 465 B8R1.5 CC1=C(Cl)C=NC=C1 C42844 [0,1,0,0,0,0|2,0,0]=3 466 B8R1.5 CC1=C(F)C=CC=N1 F69193 [0,1,0,0,0,0|2,0,0]=3 467 B8R1.5 CC1=C(F)C=CN=C1 F43525 [0,1,0,0,0,0|2,0,0]=3 468 B8R1.5 CC1=C(F)C=NC=C1 F3668 [0,1,0,0,0,0|2,0,0]=3 469 B8R1.5 CC1=C(I)C=CC=C1 K67847 [0,1,0,0,0,0|1,0,0]=2 470 B8R1.5 CC1=C(I)C=NC=N1 K40890 [0,1,0,0,0,0|3,0,0]=4 471 B8R1.5 CC1=C(N)C=CN=C1 A4667 [0,1,0,0,0,0|2,0,0]=3 472 B8R1.5 CC1=C(N)C=NC=C1 A14314 [0,1,0,0,0,0|2,0,0]=3 473 B8R1.5 CC1=C(O)C=CC=N1 H10468 [0,1,0,0,0,0|1,0,0]=2 474 B8R1.5 CC1=C(O)C=CN=C1 M43132 [0,1,0,0,0,0|1,0,0]=2 475 B8R1.5 CC1=C(O)C=NC=C1 H12910 [0,1,0,0,0,0|1,0,0]=2 476 B8R1.5 CC1=C([Mg+])C=CC=C1 M31729 [0,1,0,0,0,0|1,0,0]=2 477 B8R1.5 CC1=CC=CN=C1Br B13771 [0,1,0,0,0,0|2,0,0]=3 478 B8R1.5 CC1=CC=CN=C1C L68373 [0,1,0,0,0,0|2,0,0]=3 479 B8R1.5 CC1=CC=CN=C1Cl C21969 [0,1,0,0,0,0|2,0,0]=3 480 B8R1.5 CC1=CC=CN=C1F F42847 [0,1,0,0,0,0|2,0,0]=3 481 B8R1.5 CC1=CC=CN=C1N M20541 [0,1,0,0,0,0|2,0,0]=3 482 B8R1.5 CC1=CC=CNC1=O M68618 [0,1,0,0,0,0|1,0,1]=3 483 B8R1.5 CC1=CC=NN=C1Cl C20457 [0,1,0,0,0,0|3,0,0]=4 484 B8R1.5 CC1=CC=NN=C1Cl C2949 [0,1,0,0,0,0|3,0,0]=4 485 B8R1.5 CC1=CC=NNC1=O M5790 [0,1,0,0,0,0|2,0,1]=4 486 B8R1.5 CC1=CN=CN=C1Cl C24055 [0,1,0,0,0,0|3,0,0]=4 487 B8R1.5 CC1=CN=CN=C1N A38299 [0,1,0,0,0,0|3,0,0]=4 488 B8R1.5 CC1=CN=CN=C1O H41028 [0,1,0,0,0,0|2,0,0]=3 489 B8R1.5 CC1=CN=NC=C1N M60072 [0,1,0,0,0,0|3,0,0]=4 490 B8R1.5 CC1=NC=CN=C1Br B14599 [0,1,0,0,0,0|3,0,0]=4 491 B8R1.5 CC1=NC=CN=C1Cl C14608 [0,1,0,0,0,0|3,0,0]=4 492 B8R1.5 CC1=NC=CN=C1I I14601 [0,1,0,0,0,0|3,0,0]=4 493 B8R1.5 CC1=NC=CN=C1N A14593 [0,1,0,0,0,0|3,0,0]=4 494 B8R1.5 CC1=NC=CN=C1O H14600 [0,1,0,0,0,0|2,0,0]=3 495 B8R1.5 CC1=NC=NC=C1N A14334 [0,1,0,0,0,0|3,0,0]=4 496 B8R1.5 CN1C=CC=CC1=O M62252 [0,1,0,0,0,0|1,0,1]=3 497 B8R1.5 C[N+]1=C(Cl)C=CC=C1 C39196 [0,1,0,0,0,0|2,0,0]=3 498 B8R1.5 ClC1=C(Br)C=CC=C1 B67579 [0,1,0,0,0,0|1,0,0]=2 499 B8R1.5 ClC1=C(Br)C=CC=N1 B9483 [0,1,0,0,0,0|2,0,0]=3 500 B8R1.5 ClC1=C(Br)C=CN=C1 B3024 [0,1,0,0,0,0|2,0,0]=3 501 B8R1.5 ClC1=C(Br)C=NC=C1 B23333 [0,1,0,0,0,0|2,0,0]=3 502 B8R1.5 ClC1=C(Br)C=NC=C1 B5671 [0,1,0,0,0,0|2,0,0]=3 503 B8R1.5 ClC1=C(Br)C=NC=N1 C0422 [0,1,0,0,0,0|3,0,0]=4 504 B8R1.5 ClC1=C(Cl)C=NC=C1 D40639 [0,1,0,0,0,0|2,0,0]=3 505 B8R1.5 ClC1=C(I)C=CC=C1 C39233 [0,1,0,0,0,0|1,0,0]=2 506 B8R1.5 ClC1=C(I)C=CC=N1 C3030 [0,1,0,0,0,0|2,0,0]=3 507 B8R1.5 ClC1=C(I)C=CN=C1 C40645 [0,1,0,0,0,0|2,0,0]=3 508 B8R1.5 ClC1=C(I)C=NC=C1 C26241 [0,1,0,0,0,0|2,0,0]=3 509 B8R1.5 ClC1=C(I)C=NC=C1 C40647 [0,1,0,0,0,0|2,0,0]=3 510 B8R1.5 ClC1=C(I)C=NC=N1 C10398 [0,1,0,0,0,0|3,0,0]=4 511 B8R1.5 ClC1=CC=CN=C1Br B40634 [0,1,0,0,0,0|2,0,0]=3 512 B8R1.5 ClC1=CC=CN=C1Cl D5123 [0,1,0,0,0,0|2,0,0]=3 513 B8R1.5 ClC1=CC=CN=C1I C25332 [0,1,0,0,0,0|2,0,0]=3 514 B8R1.5 ClC1=CC=NN=C1Cl D10572 [0,1,0,0,0,0|3,0,0]=4 515 B8R1.5 ClC1=CN=CN=C1Cl D12602 [0,1,0,0,0,0|3,0,0]=4 516 B8R1.5 ClC1=NC=CN=C1Br B37498 [0,1,0,0,0,0|3,0,0]=4 517 B8R1.5 ClC1=NC=CN=C1Cl D7674 [0,1,0,0,0,0|3,0,0]=4 518 B8R1.5 ClC1=NC=CN=C1I C39981 [0,1,0,0,0,0|3,0,0]=4 519 B8R1.5 FC1=C(Br)C=CC=C1 B42063 [0,1,0,0,0,0|1,0,0]=2 520 B8R1.5 FC1=C(Br)C=CC=N1 B2291 [0,1,0,0,0,0|2,0,0]=3 521 B8R1.5 FC1=C(Br)C=CN=C1 B7643 [0,1,0,0,0,0|2,0,0]=3 522 B8R1.5 FC1=C(Br)C=NC=C1 B4918 [0,1,0,0,0,0|2,0,0]=3 523 B8R1.5 FC1=C(Cl)C=CC=N1 C3434 [0,1,0,0,0,0|2,0,0]=3 524 B8R1.5 FC1=C(Cl)C=CN=C1 C22665 [0,1,0,0,0,0|2,0,0]=3 525 B8R1.5 FC1=C(Cl)C=CN=C1 C5574 [0,1,0,0,0,0|2,0,0]=3 526 B8R1.5 FC1=C(F)C=NC=C1 D36882 [0,1,0,0,0,0|2,0,0]=3 527 B8R1.5 FC1=C(I)C=CC=N1 F2381 [0,1,0,0,0,0|2,0,0]=3 528 B8R1.5 FC1=C(I)C=CN=C1 F12620 [0,1,0,0,0,0|2,0,0]=3 529 B8R1.5 FC1=CC=CN=C1Br B3502 [0,1,0,0,0,0|2,0,0]=3 530 B8R1.5 FC1=CC=CN=C1Cl C3353 [0,1,0,0,0,0|2,0,0]=3 531 B8R1.5 FC1=CC=CN=C1F D40648 [0,1,0,0,0,0|2,0,0]=3 532 B8R1.5 FC1=CC=CN=C1I F10819 [0,1,0,0,0,0|2,0,0]=3 533 B8R1.5 FC1=CN=CN=C1Cl C2977 [0,1,0,0,0,0|3,0,0]=4 534 B8R1.5 FC1=NC=CN=C1I F6274 [0,1,0,0,0,0|3,0,0]=4 535 B8R1.5 IC1=C(I)C=CC=C1 D38439 [0,1,0,0,0,0|1,0,0]=2 536 B8R1.5 NC1=C(Br)C=CC=N1 A12591 [0,1,0,0,0,0|2,0,0]=3 537 B8R1.5 NC1=C(Br)C=CN=C1 A8893 [0,1,0,0,0,0|2,0,0]=3 538 B8R1.5 NC1=C(Br)C=NC=C1 A40869 [0,1,0,0,0,0|2,0,0]=3 539 B8R1.5 NC1=C(Br)C=NC=N1 A38147 [0,1,0,0,0,0|3,0,0]=4 540 B8R1.5 NC1=C(Br)C=NN=C1 B36813 [0,1,0,0,0,0|3,0,0]=4 541 B8R1.5 NC1=C(Cl)C=CC=N1 A3433 [0,1,0,0,0,0|2,0,0]=3 542 B8R1.5 NC1=C(Cl)C=CN=C1 A22240 [0,1,0,0,0,0|2,0,0]=3 543 B8R1.5 NC1=C(Cl)C=NC=C1 A8881 [0,1,0,0,0,0|2,0,0]=3 544 B8R1.5 NC1=C(Cl)C=NC=N1 A40085 [0,1,0,0,0,0|3,0,0]=4 545 B8R1.5 NC1=C(Cl)C=NN=C1 C24109 [0,1,0,0,0,0|3,0,0]=4 546 B8R1.5 NC1=C(F)C=CC=C1 F66698 [0,1,0,0,0,0|1,0,0]=2 547 B8R1.5 NC1=C(F)C=CC=N1 A37908 [0,1,0,0,0,0|2,0,0]=3 548 B8R1.5 NC1=C(F)C=NC=C1 A2815 [0,1,0,0,0,0|2,0,0]=3 549 B8R1.5 NC1=C(F)C=NC=N1 F38859 [0,1,0,0,0,0|3,0,0]=4 550 B8R1.5 NC1=C(I)C=CC=C1 K67831 [0,1,0,0,0,0|1,0,0]=2 551 B8R1.5 NC1=C(I)C=CC=N1 I0599 [0,1,0,0,0,0|2,0,0]=3 552 B8R1.5 NC1=C(I)C=CN=C1 I12632 [0,1,0,0,0,0|2,0,0]=3 553 B8R1.5 NC1=C(I)C=NC=C1 A3436 [0,1,0,0,0,0|2,0,0]=3 554 B8R1.5 NC1=C(I)C=NC=N1 I38757 [0,1,0,0,0,0|3,0,0]=4 555 B8R1.5 NC1=C(N)C=NC=C1 P24217 [0,1,0,0,0,0|2,0,0]=3 556 B8R1.5 NC1=C(O)C=CC=N1 A31053 [0,1,0,0,0,0|1,0,0]=2 557 B8R1.5 NC1=C(O)C=CN=C1 A4768 [0,1,0,0,0,0|1,0,0]=2 558 B8R1.5 NC1=C(O)C=NC=C1 A38212 [0,1,0,0,0,0|1,0,0]=2 559 B8R1.5 NC1=C(O)C=NC=C1 A62454 [0,1,0,0,0,0|1,0,0]=2 560 B8R1.5 NC1=C(O)C=NC=N1 A40129 [0,1,0,0,0,0|2,0,0]=3 561 B8R1.5 NC1=C(S)C=NC=C1 A21808 [0,1,0,0,0,0|1,1,0]=3 562 B8R1.5 NC1=CC=CN=C1Br A4535 [0,1,0,0,0,0|2,0,0]=3 563 B8R1.5 NC1=CC=CN=C1Cl C0716 [0,1,0,0,0,0|2,0,0]=3 564 B8R1.5 NC1=CC=CN=C1F F9484 [0,1,0,0,0,0|2,0,0]=3 565 B8R1.5 NC1=CC=CN=C1I K40887 [0,1,0,0,0,0|2,0,0]=3 566 B8R1.5 NC1=CC=CN=C1O A0666 [0,1,0,0,0,0|1,0,0]=2 567 B8R1.5 NC1=CC=CNC1=S A23408 [0,1,0,0,0,0|1,1,0]=3 568 B8R1.5 NC1=CN=CN=C1Br A40084 [0,1,0,0,0,0|3,0,0]=4 569 B8R1.5 NC1=CN=CN=C1Cl C24195 [0,1,0,0,0,0|3,0,0]=4 570 B8R1.5 NC1=CN=CN=C1I K67761 [0,1,0,0,0,0|3,0,0]=4 571 B8R1.5 NC1=CN=CN=C1N P40201 [0,1,0,0,0,0|3,0,0]=4 572 B8R1.5 NC1=CN=CNC1=O A40131 [0,1,0,0,0,0|2,0,1]=4 573 B8R1.5 NC1=CN=NC=C1N P40200 [0,1,0,0,0,0|3,0,0]=4 574 B8R1.5 NC1=CNC=CC1=O A41025 [0,1,0,0,0,0|1,0,1]=3 575 B8R1.5 NC1=NC=CN=C1Br A38037 [0,1,0,0,0,0|3,0,0]=4 576 B8R1.5 NC1=NC=CN=C1Cl A5117 [0,1,0,0,0,0|3,0,0]=4 577 B8R1.5 NC1=NC=CN=C1N D14607 [0,1,0,0,0,0|3,0,0]=4 578 B8R1.5 NC1=NC=CNC1=O A40130 [0,1,0,0,0,0|2,0,1]=4 579 B8R1.5 O=C1C=COC=C1O H23906 [0,1,0,0,0,0|1,0,0]=2 580 B8R1.5 O=C1NC=CC=C1Br B12634 [0,1,0,0,0,0|1,0,1]=3 581 B8R1.5 O=C1NC=CN=C1Cl C40043 [0,1,0,0,0,0|2,0,1]=4 582 B8R1.5 O=C1NC=NC=C1Cl C12601 [0,1,0,0,0,0|2,0,1]=4 583 B8R1.5 O=C1NC=NC=C1I I12600 [0,1,0,0,0,0|2,0,1]=4 584 B8R1.5 O=C1NC=NC=C1O H40075 [0,1,0,0,0,0|2,0,0]=3 585 B8R1.5 O=C1NC=NC=C1O H40320 [0,1,0,0,0,0|2,0,0]=3 586 B8R1.5 O=C1NN=CC=C1Cl C10571 [0,1,0,0,0,0|2,0,1]=4 587 B8R1.5 O=C1OC=CC=C1O H39075 [0,1,0,0,0,0|1,0,0]=2 588 B8R1.5 OC1=C(Br)C=CN=C1 B37993 [0,1,0,0,0,0|1,0,0]=2 589 B8R1.5 OC1=C(Br)C=NC=N1 B0421 [0,1,0,0,0,0|2,0,0]=3 590 B8R1.5 OC1=C(Br)C=NN=C1 B62949 [0,1,0,0,0,0|2,0,0]=3 591 B8R1.5 OC1=C(Cl)C=CC=N1 C40847 [0,1,0,0,0,0|1,0,0]=2 592 B8R1.5 OC1=C(Cl)C=CN=C1 C36961 [0,1,0,0,0,0|1,0,0]=2 593 B8R1.5 OC1=C(Cl)C=NC=C1 C39064 [0,1,0,0,0,0|1,0,0]=2 594 B8R1.5 OC1=C(Cl)C=NN=C1 C37229 [0,1,0,0,0,0|2,0,0]=3 595 B8R1.5 OC1=C(F)C=CC=C1 F60817 [0,1,0,0,0,0|0,0,0]=1 596 B8R1.5 OC1=C(F)C=CC=N1 F40853 [0,1,0,0,0,0|1,0,0]=2 597 B8R1.5 OC1=C(F)C=NC=C1 F22449 [0,1,0,0,0,0|1,0,0]=2 598 B8R1.5 OC1=C(I)C=CC=C1 K68101 [0,1,0,0,0,0|0,0,0]=1 599 B8R1.5 OC1=C(I)C=CC=N1 K40856 [0,1,0,0,0,0|1,0,0]=2 600 B8R1.5 OC1=C(I)C=CN=C1 I38060 [0,1,0,0,0,0|1,0,0]=2 601 B8R1.5 OC1=C(I)C=NC=C1 K40857 [0,1,0,0,0,0|1,0,0]=2 602 B8R1.5 OC1=CC=CN=C1Br B12744 [0,1,0,0,0,0|1,0,0]=2 603 B8R1.5 OC1=CC=CN=C1Cl C10469 [0,1,0,0,0,0|1,0,0]=2 604 B8R1.5 OC1=CC=CN=C1F F40850 [0,1,0,0,0,0|1,0,0]=2 605 B8R1.5 OC1=CC=CN=C1I H23528 [0,1,0,0,0,0|1,0,0]=2 606 B8R1.5 OC1=NC=CN=C1Br B40038 [0,1,0,0,0,0|2,0,0]=3 607 B8R1.5 OC1=NC=CN=C1O P40073 [0,1,0,0,0,0|2,0,0]=3 608 B8R1.5 SC1=C(Br)C=NC=C1 B67001 [0,1,0,0,0,0|1,1,0]=3 609 B6R0.4 C=CCCC(=O)O P37823 [0,0,1,0,0,0|1,0,2]=4 610 B6R0.4 C=C\C=C/C(=O)O P41118 [0,0,1,0,0,0|1,0,0]=2 611 B6R0.4 O=C(O)\C=C\CBr B37272 [0,0,1,0,0,0|2,0,1]=4 612 B6R0.6 C\C=C\C=C\CO H69109 [0,0,1,0,0,0|0,0,2]=3 613 B8R2.34 C1=CC2C=CC1C2 B61169 [0,0,0,1,0,0|1,0,2]=4 614 B6R1.2 BrC1=CC=CS1 B69329 [0,0,0,0,1,0|2,0,0]=3 615 B6R1.2 BrC1=CC=NN1 B10788 [0,0,0,0,1,0|3,0,0]=4 616 B6R1.2 BrC1=CC=NN1 B37723 [0,0,0,0,1,0|3,0,0]=4 617 B6R1.2 BrC1=CN=CS1 B2349 [0,0,0,0,1,0|3,0,0]=4 618 B6R1.2 BrC1=CNC=N1 B2477 [0,0,0,0,1,0|3,0,0]=4 619 B6R1.2 BrC1=CNN=C1 B22272 [0,0,0,0,1,0|3,0,0]=4 620 B6R1.2 BrC1=COC=C1 B40068 [0,0,0,0,1,0|2,0,0]=3 621 B6R1.2 BrC1=CON=C1 B39813 [0,0,0,0,1,0|3,0,0]=4 622 B6R1.2 BrC1=CSC=C1 B39148 [0,0,0,0,1,0|2,0,0]=3 623 B6R1.2 BrC1=CSC=N1 B2171 [0,0,0,0,1,0|3,0,0]=4 624 B6R1.2 BrC1=CSN=C1 B39812 [0,0,0,0,1,0|3,0,0]=4 625 B6R1.2 BrC1=NC=CN1 B2807 [0,0,0,0,1,0|3,0,0]=4 626 B6R1.2 BrC1=NC=CS1 B2607 [0,0,0,0,1,0|3,0,0]=4 627 B6R1.2 BrC1=NOC=C1 B37012 [0,0,0,0,1,0|3,0,0]=4 628 B6R1.2 BrC1=NSC=C1 B39811 [0,0,0,0,1,0|3,0,0]=4 629 B6R1.2 CC1=CC=CN1 M37933 [0,0,0,0,1,0|2,0,0]=3 630 B6R1.2 CC1=CC=CS1 M39179 [0,0,0,0,1,0|2,0,0]=3 631 B6R1.2 CC1=CC=NO1 M24354 [0,0,0,0,1,0|3,0,0]=4 632 B6R1.2 CC1=CN=CS1 M40166 [0,0,0,0,1,0|3,0,0]=4 633 B6R1.2 CC1=CNC=C1 M14657 [0,0,0,0,1,0|2,0,0]=3 634 B6R1.2 CC1=COC=N1 M13405 [0,0,0,0,1,0|3,0,0]=4 635 B6R1.2 CC1=CSC=N1 M24933 [0,0,0,0,1,0|3,0,0]=4 636 B6R1.2 CC1=NC=CS1 M40165 [0,0,0,0,1,0|3,0,0]=4 637 B6R1.2 CC1=NNC=C1 M36663 [0,0,0,0,1,0|3,0,0]=4 638 B6R1.2 CC1=NOC=C1 M40157 [0,0,0,0,1,0|3,0,0]=4 639 B6R1.2 CN1C=CC=N1 M12066 [0,0,0,0,1,0|3,0,0]=4 640 B6R1.2 CN1C=CN=C1 M68061 [0,0,0,0,1,0|3,0,0]=4 641 B6R1.2 ClC1=CC=NN1 C10789 [0,0,0,0,1,0|3,0,0]=4 642 B6R1.2 ClC1=CC=NN1 C39819 [0,0,0,0,1,0|3,0,0]=4 643 B6R1.2 ClC1=CN=CN1 C38031 [0,0,0,0,1,0|3,0,0]=4 644 B6R1.2 ClC1=CNN=C1 C39818 [0,0,0,0,1,0|3,0,0]=4 645 B6R1.2 ClC1=CSC=C1 C40018 [0,0,0,0,1,0|2,0,0]=3 646 B6R1.2 ClC1=CSC=N1 C9773 [0,0,0,0,1,0|3,0,0]=4 647 B6R1.2 ClC1=NC=CN1 C38255 [0,0,0,0,1,0|3,0,0]=4 648 B6R1.2 ClC1=NC=CS1 C2694 [0,0,0,0,1,0|3,0,0]=4 649 B6R1.2 FC1=CC=NN1 F13459 [0,0,0,0,1,0|3,0,0]=4 650 B6R1.2 FC1=CNN=C1 F13736 [0,0,0,0,1,0|3,0,0]=4 651 B6R1.2 IC1=CC=CS1 K39149 [0,0,0,0,1,0|2,0,0]=3 652 B6R1.2 IC1=CC=NN1 K39821 [0,0,0,0,1,0|3,0,0]=4 653 B6R1.2 IC1=CN=CN1 I2351 [0,0,0,0,1,0|3,0,0]=4 654 B6R1.2 IC1=CNN=C1 I8923 [0,0,0,0,1,0|3,0,0]=4 655 B6R1.2 IC1=CON=C1 K25626 [0,0,0,0,1,0|3,0,0]=4 656 B6R1.2 IC1=CSC=C1 K40019 [0,0,0,0,1,0|2,0,0]=3 657 B6R1.2 IC1=NC=CO1 I11270 [0,0,0,0,1,0|3,0,0]=4 658 B6R1.2 IC1=NNC=C1 I9931 [0,0,0,0,1,0|3,0,0]=4 659 B6R1.2 NC1=CC=NN1 P61114 [0,0,0,0,1,0|3,0,0]=4 660 B6R1.2 NC1=CC=NO1 X67704 [0,0,0,0,1,0|3,0,0]=4 661 B6R1.2 NC1=CC=NS1 T39909 [0,0,0,0,1,0|3,0,0]=4 662 B6R1.2 NC1=CN=CN1 I37101 [0,0,0,0,1,0|3,0,0]=4 663 B6R1.2 NC1=CN=CS1 T39907 [0,0,0,0,1,0|3,0,0]=4 664 B6R1.2 NC1=CNC=N1 I37475 [0,0,0,0,1,0|3,0,0]=4 665 B6R1.2 NC1=CNN=C1 A12900 [0,0,0,0,1,0|3,0,0]=4 666 B6R1.2 NC1=CNN=C1 A39853 [0,0,0,0,1,0|3,0,0]=4 667 B6R1.2 NC1=COC=N1 X36633 [0,0,0,0,1,0|3,0,0]=4 668 B6R1.2 NC1=CON=C1 A37511 [0,0,0,0,1,0|3,0,0]=4 669 B6R1.2 NC1=CON=C1 K39833 [0,0,0,0,1,0|3,0,0]=4 670 B6R1.2 NC1=CSC=C1 A40167 [0,0,0,0,1,0|2,0,0]=3 671 B6R1.2 NC1=CSC=C1 T10330 [0,0,0,0,1,0|2,0,0]=3 672 B6R1.2 NC1=CSC=C1 T64858 [0,0,0,0,1,0|2,0,0]=3 673 B6R1.2 NC1=CSC=N1 T39908 [0,0,0,0,1,0|3,0,0]=4 674 B6R1.2 NC1=NC=CN1 A28762 [0,0,0,0,1,0|3,0,0]=4 675 B6R1.2 NC1=NC=CN1 A39803 [0,0,0,0,1,0|3,0,0]=4 676 B6R1.2 NC1=NC=CO1 O5740 [0,0,0,0,1,0|3,0,0]=4 677 B6R1.2 NC1=NC=CS1 T39140 [0,0,0,0,1,0|3,0,0]=4 678 B6R1.2 NC1=NNC=C1 A1108 [0,0,0,0,1,0|3,0,0]=4 679 B6R1.2 NC1=NOC=C1 I0613 [0,0,0,0,1,0|3,0,0]=4 680 B6R1.2 NN1C=CC=C1 A7731 [0,0,0,0,1,0|2,0,0]=3 681 B6R1.2 NN1C=CN=C1 I38788 [0,0,0,0,1,0|3,0,0]=4 682 B6R1.2 O=C1C=CCC1 C26583 [0,0,0,0,1,0|0,0,3]=4 683 B6R1.2 O=C1C=CCO1 F5673 [0,0,0,0,1,0|1,0,2]=4 684 B6R1.2 O=C1C=CNN1 P32282 [0,0,0,0,1,0|2,0,1]=4 685 B6R1.2 O=C1C=CSN1 T60536 [0,0,0,0,1,0|2,0,1]=4 686 B6R1.2 O=C1CC=CC1 C19712 [0,0,0,0,1,0|0,0,3]=4 687 B6R1.2 O=C1NC=CN1 K39835 [0,0,0,0,1,0|2,0,1]=4 688 B6R1.2 O=C1NC=CO1 X39828 [0,0,0,0,1,0|2,0,1]=4 689 B6R1.2 OC1=CNN=C1 P61602 [0,0,0,0,1,0|2,0,0]=3 690 B6R1.2 OC1=NC=CS1 H39829 [0,0,0,0,1,0|2,0,0]=3 691 B6R1.2 OC1=NNC=C1 P24482 [0,0,0,0,1,0|2,0,0]=3 692 B6R1.2 OC1CC=CC1 C67522 [0,0,0,0,1,0|0,0,3]=4 693 B6R1.2 ON1C=CC=N1 P25523 [0,0,0,0,1,0|2,0,0]=3 694 B5R0.1 O=C(O)\C=C\Br B9431 [1,0,1,0,0,0|2,0,0]=4 695 B7R1.1 BrCC1=CSC=C1 B60823 [0,1,0,0,1,0|2,0,0]=4 696 B7R1.1 C#CC1=CC=CS1 E42371 [0,1,0,0,1,0|2,0,0]=4 697 B7R1.1 C#CC1=CSC=C1 E42372 [0,1,0,0,1,0|2,0,0]=4 698 B7R1.1 C=CC1=CC=CS1 V38168 [0,1,0,0,1,0|2,0,0]=4 699 B7R1.1 COC1=CC=CS1 M41123 [0,1,0,0,1,0|1,0,0]=3 700 B7R1.1 COC1=CNN=C1 M20056 [0,1,0,0,1,0|2,0,0]=4 701 B7R1.1 COC1=CSC=C1 M41124 [0,1,0,0,1,0|1,0,0]=3 702 B7R1.1 COC1=NC=CS1 M2608 [0,1,0,0,1,0|2,0,0]=4 703 B7R1.1 N#CC1=CC=CN1 P0691 [0,1,0,0,1,0|2,0,0]=4 704 B7R1.1 N#CC1=CC=CO1 F40652 [0,1,0,0,1,0|2,0,0]=4 705 B7R1.1 N#CC1=CC=CS1 T40685 [0,1,0,0,1,0|2,0,0]=4 706 B7R1.1 N#CC1=CNC=C1 P40700 [0,1,0,0,1,0|2,0,0]=4 707 B7R1.1 N#CC1=CSC=C1 C12829 [0,1,0,0,1,0|2,0,0]=4 708 B7R1.1 NCC1=CC=CN1 P41359 [0,1,0,0,1,0|2,0,0]=4 709 B7R1.1 NCC1=CC=CS1 A12813 [0,1,0,0,1,0|2,0,0]=4 710 B7R1.1 NCC1=CNC=C1 P26218 [0,1,0,0,1,0|2,0,0]=4 711 B7R1.1 NCC1=CSC=C1 T41357 [0,1,0,0,1,0|2,0,0]=4 712 B7R1.1 O=CC1=CC=CN1 P64891 [0,1,0,0,1,0|1,0,1]=4 713 B7R1.1 O=CC1=CC=CS1 T68614 [0,1,0,0,1,0|1,0,1]=4 714 B7R1.1 O=CC1=CNC=C1 P25022 [0,1,0,0,1,0|1,0,1]=4 715 B7R1.1 O=CC1=COC=C1 F65465 [0,1,0,0,1,0|1,0,1]=4 716 B7R1.1 O=CC1=CSC=C1 T12697 [0,1,0,0,1,0|1,0,1]=4 717 B7R1.1 OCC1=CC=CS1 T12815 [0,1,0,0,1,0|1,0,0]=3 718 B7R1.1 OCC1=CC=NO1 K40159 [0,1,0,0,1,0|2,0,0]=4 719 B7R1.1 OCC1=CN=CN1 I14077 [0,1,0,0,1,0|2,0,0]=4 720 B7R1.1 OCC1=CN=CO1 X14033 [0,1,0,0,1,0|2,0,0]=4 721 B7R1.1 OCC1=CN=CS1 T2166 [0,1,0,0,1,0|2,0,0]=4 722 B7R1.1 OCC1=CNC=N1 H2067 [0,1,0,0,1,0|2,0,0]=4 723 B7R1.1 OCC1=CNN=C1 H1729 [0,1,0,0,1,0|2,0,0]=4 724 B7R1.1 OCC1=COC=C1 F41115 [0,1,0,0,1,0|1,0,0]=3 725 B7R1.1 OCC1=COC=N1 O7923 [0,1,0,0,1,0|2,0,0]=4 726 B7R1.1 OCC1=CON=C1 H14705 [0,1,0,0,1,0|2,0,0]=4 727 B7R1.1 OCC1=CSC=C1 T12827 [0,1,0,0,1,0|1,0,0]=3 728 B7R1.1 OCC1=CSC=N1 T2165 [0,1,0,0,1,0|2,0,0]=4 729 B7R1.1 OCC1=NC=CN1 I38716 [0,1,0,0,1,0|2,0,0]=4 730 B7R1.1 OCC1=NC=CO1 X14019 [0,1,0,0,1,0|2,0,0]=4 731 B7R1.1 OCC1=NC=CS1 H3028 [0,1,0,0,1,0|2,0,0]=4 732 B7R1.1 OCC1=NNC=C1 H7696 [0,1,0,0,1,0|2,0,0]=4 733 B7R1.1 OCC1=NOC=C1 I11321 [0,1,0,0,1,0|2,0,0]=4 734 B7R1.1 OCN1C=CC=N1 P9800 [0,1,0,0,1,0|2,0,0]=4 735 B7R1.2 CC1=CC(Br)=CS1 B40867 [0,1,0,0,1,0|2,0,0]=4 736 B7R1.2 CC1=CC=C(Br)O1 B41015 [0,1,0,0,1,0|2,0,0]=4 737 B7R1.2 CC1=CC=C(Br)S1 B40865 [0,1,0,0,1,0|2,0,0]=4 738 B7R1.2 CC1=CC=C(C)S1 D43320 [0,1,0,0,1,0|2,0,0]=4 739 B7R1.2 CC1=CC=C(I)S1 K40868 [0,1,0,0,1,0|2,0,0]=4 740 B7R1.2 CC1=CSC(N)=C1 A0597 [0,1,0,0,1,0|2,0,0]=4 741 B7R1.2 CC1=NNC(O)=C1 M0907 [0,1,0,0,1,0|2,0,0]=4 742 B7R1.2 CN1C=C(O)C=N1 M38839 [0,1,0,0,1,0|2,0,0]=4 743 B7R1.2 ClC1=CC=C(Br)S1 B39971 [0,1,0,0,1,0|2,0,0]=4 744 B7R1.2 ClC1=CC=C(I)S1 C39974 [0,1,0,0,1,0|2,0,0]=4 745 B7R1.2 NC1=CSC(Cl)=C1 A14220 [0,1,0,0,1,0|2,0,0]=4 746 B7R1.2 NC1=CSC(Cl)=C1 A7362 [0,1,0,0,1,0|2,0,0]=4 747 B7R1.2 NC1=NC(O)=CS1 A39839 [0,1,0,0,1,0|2,0,0]=4 748 B7R1.2 NC1=NNC(O)=C1 A11039 [0,1,0,0,1,0|2,0,0]=4 749 B7R1.2 O=C1CC(O)=CO1 H1405 [0,1,0,0,1,0|1,0,1]=4 750 B7R1.2 OC1=CC=C(Br)S1 B40069 [0,1,0,0,1,0|1,0,0]=3 751 B7R1.2 OC1=NC(Br)=CS1 B39814 [0,1,0,0,1,0|2,0,0]=4 752 B7R1.2 OC1=NSC(Cl)=C1 C37755 [0,1,0,0,1,0|2,0,0]=4 753 B7R1.4 BrC1=C(Br)SC=C1 D39969 [0,1,0,0,1,0|2,0,0]=4 754 B7R1.4 BrC1=C(I)SC=C1 B39972 [0,1,0,0,1,0|2,0,0]=4 755 B7R1.4 BrC1=CSC=C1Br D39147 [0,1,0,0,1,0|2,0,0]=4 756 B7R1.4 BrC1=CSC=C1I B39973 [0,1,0,0,1,0|2,0,0]=4 757 B7R1.4 CC1=C(Br)SC=C1 B12699 [0,1,0,0,1,0|2,0,0]=4 758 B7R1.4 CC1=C(Cl)SC=C1 C39173 [0,1,0,0,1,0|2,0,0]=4 759 B7R1.4 CC1=CNC=C1C D12050 [0,1,0,0,1,0|2,0,0]=4 760 B7R1.4 CC1=CSC=C1Br B40866 [0,1,0,0,1,0|2,0,0]=4 761 B7R1.4 CN1N=CC=C1O M23117 [0,1,0,0,1,0|2,0,0]=4 762 B7R1.4 ClC1=C(Br)C=CS1 B37895 [0,1,0,0,1,0|2,0,0]=4 763 B7R1.4 ClC1=C(Br)SC=C1 B39970 [0,1,0,0,1,0|2,0,0]=4 764 B7R1.4 ClC1=C(I)SC=C1 C60404 [0,1,0,0,1,0|2,0,0]=4 765 B7R1.4 NC1=CSC=C1Br B30109 [0,1,0,0,1,0|2,0,0]=4 766 B7R1.4 NC1=CSC=C1N D40188 [0,1,0,0,1,0|2,0,0]=4 767 B7R1.4 NC1=CSC=C1N T40358 [0,1,0,0,1,0|2,0,0]=4 768 B7R1.4 O=C1CCC=C1O H41119 [0,1,0,0,1,0|0,0,2]=4 769 B9R1.5 NC1=CC=CC=CC1=O A62027 [0,1,0,0,0,1|0,0,1]=3 770 B9R1.1 BrCC1=CC=C(I)C=C1 B45171 [0,2,0,0,0,0|1,0,0]=3 771 B9R1.1 BrCC1=NC=C(Br)C=C1 B42521 [0,2,0,0,0,0|2,0,0]=4 772 B9R1.1 C#CC1=CC=C(Br)C=C1 B47528 [0,2,0,0,0,0|1,0,0]=3 773 B9R1.1 C#CC1=CC=C(C)C=C1 E68609 [0,2,0,0,0,0|1,0,0]=3 774 B9R1.1 C#CC1=CC=C(Cl)C=C1 C4938 [0,2,0,0,0,0|1,0,0]=3 775 B9R1.1 C#CC1=CC=C(F)C=C1 F2891 [0,2,0,0,0,0|1,0,0]=3 776 B9R1.1 C#CC1=CC=C(N)C=C1 E37919 [0,2,0,0,0,0|1,0,0]=3 777 B9R1.1 C#CC1=CN=C(Cl)C=C1 C38156 [0,2,0,0,0,0|2,0,0]=4 778 B9R1.1 C#CC1=CN=C(F)C=C1 E44436 [0,2,0,0,0,0|2,0,0]=4 779 B9R1.1 C#CC1=CN=C(N)C=C1 E36917 [0,2,0,0,0,0|2,0,0]=4 780 B9R1.1 C#CC1=CNC(=O)C=C1 E32387 [0,2,0,0,0,0|1,0,1]=4 781 B9R1.1 C#CC1=NC=C(Br)C=C1 B44410 [0,2,0,0,0,0|2,0,0]=4 782 B9R1.1 C#CC1=NC=C(Cl)C=C1 C44424 [0,2,0,0,0,0|2,0,0]=4 783 B9R1.1 C#CC1=NC=C(F)C=C1 E60834 [0,2,0,0,0,0|2,0,0]=4 784 B9R1.1 C#CC1=NC=C(N)C=C1 E45201 [0,2,0,0,0,0|2,0,0]=4 785 B9R1.1 C=CC1=CC=C(Br)C=C1 B68124 [0,2,0,0,0,0|1,0,0]=3 786 B9R1.1 C=CC1=CC=C(O)C=C1 V67697 [0,2,0,0,0,0|0,0,0]=2 787 B9R1.1 C=CC1=CN=C(C)C=C1 M11564 [0,2,0,0,0,0|2,0,0]=4 788 B9R1.1 C=CC1=CN=C(F)C=C1 E16703 [0,2,0,0,0,0|2,0,0]=4 789 B9R1.1 CC1=CC=C(C=O)C=C1 M68600 [0,2,0,0,0,0|0,0,1]=3 790 B9R1.1 CC1=CC=C(CN)C=C1 M69544 [0,2,0,0,0,0|1,0,0]=3 791 B9R1.1 CC1=CC=C(CO)C=C1 T37852 [0,2,0,0,0,0|0,0,0]=2 792 B9R1.1 CC1=CC=C(NN)C=C1 T68855 [0,2,0,0,0,0|1,0,0]=3 793 B9R1.1 CC1=CN=C(C#N)C=C1 C4792 [0,2,0,0,0,0|2,0,0]=4 794 B9R1.1 CC1=CN=C(C=O)C=C1 M3063 [0,2,0,0,0,0|1,0,1]=4 795 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [0,2,0,0,0,0|2,0,0]=4 796 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [0,2,0,0,0,0|2,0,0]=4 797 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [0,2,0,0,0,0|2,0,0]=4 798 B9R1.1 CC1=CN=C(CO)C=N1 M43210 [0,2,0,0,0,0|2,0,0]=4 799 B9R1.1 CC1=CN=C(CO)N=C1 H11473 [0,2,0,0,0,0|2,0,0]=4 800 B9R1.1 CC1=CN=C(NN)C=C1 H63578 [0,2,0,0,0,0|2,0,0]=4 801 B9R1.1 CC1=NC=C(C#N)C=C1 M12704 [0,2,0,0,0,0|2,0,0]=4 802 B9R1.1 CC1=NC=C(C=O)C=C1 M0419 [0,2,0,0,0,0|1,0,1]=4 803 B9R1.1 CC1=NC=C(CBr)C=C1 B46089 [0,2,0,0,0,0|2,0,0]=4 804 B9R1.1 CC1=NC=C(CCl)C=C1 C46111 [0,2,0,0,0,0|2,0,0]=4 805 B9R1.1 CC1=NC=C(CN)C=C1 M0572 [0,2,0,0,0,0|2,0,0]=4 806 B9R1.1 CC1=NC=C(CO)C=C1 M15722 [0,2,0,0,0,0|1,0,0]=3 807 B9R1.1 CC1=NC=C(CO)C=N1 H12381 [0,2,0,0,0,0|2,0,0]=4 808 B9R1.1 CC1=NC=C(NN)C=C1 H14024 [0,2,0,0,0,0|2,0,0]=4 809 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [0,2,0,0,0,0|1,0,0]=3 810 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [0,2,0,0,0,0|1,0,0]=3 811 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [0,2,0,0,0,0|1,0,0]=3 812 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [0,2,0,0,0,0|1,0,0]=3 813 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [0,2,0,0,0,0|2,0,0]=4 814 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [0,2,0,0,0,0|2,0,0]=4 815 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [0,2,0,0,0,0|2,0,0]=4 816 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [0,2,0,0,0,0|2,0,0]=4 817 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [0,2,0,0,0,0|2,0,0]=4 818 B9R1.1 CNC1=CC=C(Br)C=C1 B61266 [0,2,0,0,0,0|1,0,0]=3 819 B9R1.1 CNC1=CC=C(C)C=C1 D39432 [0,2,0,0,0,0|1,0,0]=3 820 B9R1.1 CNC1=CC=C(I)C=C1 K46120 [0,2,0,0,0,0|1,0,0]=3 821 B9R1.1 CNC1=CC=C(N)C=C1 M69627 [0,2,0,0,0,0|1,0,0]=3 822 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [0,2,0,0,0,0|2,0,0]=4 823 B9R1.1 CNC1=NC=C(Br)C=C1 B42975 [0,2,0,0,0,0|2,0,0]=4 824 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [0,2,0,0,0,0|2,0,0]=4 825 B9R1.1 CNC1=NC=C(F)C=C1 F32100 [0,2,0,0,0,0|2,0,0]=4 826 B9R1.1 CNC1=NC=C(N)C=C1 M43342 [0,2,0,0,0,0|2,0,0]=4 827 B9R1.1 CNC1=NC=C(N)C=C1 M43545 [0,2,0,0,0,0|2,0,0]=4 828 B9R1.1 COC1=CC=C(S)C=C1 M46276 [0,2,0,0,0,0|0,0,0]=2 829 B9R1.1 COC1=CC=C([Mg+])C=C1 M31744 [0,2,0,0,0,0|0,0,0]=2 830 B9R1.1 COC1=CN=C(Br)C=C1 B5045 [0,2,0,0,0,0|1,0,0]=3 831 B9R1.1 COC1=CN=C(Br)C=N1 B14594 [0,2,0,0,0,0|2,0,0]=4 832 B9R1.1 COC1=CN=C(Br)N=C1 B10519 [0,2,0,0,0,0|2,0,0]=4 833 B9R1.1 COC1=CN=C(Cl)C=C1 C19386 [0,2,0,0,0,0|1,0,0]=3 834 B9R1.1 COC1=CN=C(Cl)C=N1 C14595 [0,2,0,0,0,0|2,0,0]=4 835 B9R1.1 COC1=CN=C(Cl)N=C1 C10446 [0,2,0,0,0,0|2,0,0]=4 836 B9R1.1 COC1=CN=C(F)C=C1 F42925 [0,2,0,0,0,0|1,0,0]=3 837 B9R1.1 COC1=CN=C(I)C=C1 I5931 [0,2,0,0,0,0|1,0,0]=3 838 B9R1.1 COC1=CN=C(N)C=C1 A10497 [0,2,0,0,0,0|1,0,0]=3 839 B9R1.1 COC1=CN=C(N)N=C1 A10520 [0,2,0,0,0,0|2,0,0]=4 840 B9R1.1 COC1=NC=C(Br)C=C1 B9550 [0,2,0,0,0,0|1,0,0]=3 841 B9R1.1 COC1=NC=C(Br)C=N1 B2218 [0,2,0,0,0,0|2,0,0]=4 842 B9R1.1 COC1=NC=C(C)C=C1 M67554 [0,2,0,0,0,0|1,0,0]=3 843 B9R1.1 COC1=NC=C(Cl)C=C1 C42903 [0,2,0,0,0,0|1,0,0]=3 844 B9R1.1 COC1=NC=C(Cl)C=N1 C40931 [0,2,0,0,0,0|2,0,0]=4 845 B9R1.1 COC1=NC=C(F)C=C1 F24011 [0,2,0,0,0,0|1,0,0]=3 846 B9R1.1 COC1=NC=C(I)C=C1 K42935 [0,2,0,0,0,0|1,0,0]=3 847 B9R1.1 COC1=NC=C(I)C=N1 K40945 [0,2,0,0,0,0|2,0,0]=4 848 B9R1.1 COC1=NC=C(N)C=C1 A12692 [0,2,0,0,0,0|1,0,0]=3 849 B9R1.1 COC1=NC=C(N)C=N1 M24312 [0,2,0,0,0,0|2,0,0]=4 850 B9R1.1 COC1=NC=C(N)N=C1 M9733 [0,2,0,0,0,0|2,0,0]=4 851 B9R1.1 COC1=NC=C(O)C=C1 H43140 [0,2,0,0,0,0|1,0,0]=3 852 B9R1.1 COC1=NN=C(Br)C=C1 B36769 [0,2,0,0,0,0|2,0,0]=4 853 B9R1.1 COC1=NN=C(C)C=C1 M43203 [0,2,0,0,0,0|2,0,0]=4 854 B9R1.1 COC1=NN=C(Cl)C=C1 C12386 [0,2,0,0,0,0|2,0,0]=4 855 B9R1.1 COC1=NN=C(I)C=C1 K40944 [0,2,0,0,0,0|2,0,0]=4 856 B9R1.1 COC1=NN=C(N)C=C1 A12790 [0,2,0,0,0,0|2,0,0]=4 857 B9R1.1 COC1=NN=C(N)C=C1 M62955 [0,2,0,0,0,0|2,0,0]=4 858 B9R1.1 CSC1=CC=C(I)C=C1 I38579 [0,2,0,0,0,0|0,1,0]=3 859 B9R1.1 CSC1=CC=C(O)C=C1 M67393 [0,2,0,0,0,0|0,0,0]=2 860 B9R1.1 CSC1=CC=C([Mg+])C=C1 M31771 [0,2,0,0,0,0|0,1,0]=3 861 B9R1.1 CSC1=CN=C(N)C=C1 A43262 [0,2,0,0,0,0|1,1,0]=4 862 B9R1.1 CSC1=NC=C(Br)C=C1 B2646 [0,2,0,0,0,0|1,1,0]=4 863 B9R1.1 CSC1=NC=C(O)C=N1 M41048 [0,2,0,0,0,0|2,0,0]=4 864 B9R1.1 ClC1=CC=C(CBr)C=C1 B45158 [0,2,0,0,0,0|1,0,0]=3 865 B9R1.1 ClC1=CN=C(CBr)C=C1 B42537 [0,2,0,0,0,0|2,0,0]=4 866 B9R1.1 ClCC1=CC=C(Br)C=C1 B45160 [0,2,0,0,0,0|1,0,0]=3 867 B9R1.1 ClCC1=CN=C(Br)C=C1 B42528 [0,2,0,0,0,0|2,0,0]=4 868 B9R1.1 ClCC1=CN=C(Br)C=C1 B42539 [0,2,0,0,0,0|2,0,0]=4 869 B9R1.1 ClCC1=NC=C(Br)C=C1 B42540 [0,2,0,0,0,0|2,0,0]=4 870 B9R1.1 ClCC1=NC=C(Br)C=C1 B61533 [0,2,0,0,0,0|2,0,0]=4 871 B9R1.1 ClCC1=NC=C(Cl)C=C1 C14676 [0,2,0,0,0,0|2,0,0]=4 872 B9R1.1 ClCC1=NC=C(Cl)C=C1 C42565 [0,2,0,0,0,0|2,0,0]=4 873 B9R1.1 FC1=CC=C(C[Mg+])C=C1 F6777 [0,2,0,0,0,0|1,0,0]=3 874 B9R1.1 FC1=NC=C(CBr)C=C1 B39061 [0,2,0,0,0,0|2,0,0]=4 875 B9R1.1 FC1=NC=C(CBr)C=C1 B7888 [0,2,0,0,0,0|2,0,0]=4 876 B9R1.1 FC1=NC=C(CCl)C=C1 C7887 [0,2,0,0,0,0|2,0,0]=4 877 B9R1.1 N#CC1=CC=C(Br)C=C1 B67636 [0,2,0,0,0,0|1,0,0]=3 878 B9R1.1 N#CC1=CC=C(Cl)C=C1 C37848 [0,2,0,0,0,0|1,0,0]=3 879 B9R1.1 N#CC1=CC=C(F)C=C1 F64969 [0,2,0,0,0,0|1,0,0]=3 880 B9R1.1 N#CC1=CC=C(I)C=C1 K44443 [0,2,0,0,0,0|1,0,0]=3 881 B9R1.1 N#CC1=CC=C(N)C=C1 A64955 [0,2,0,0,0,0|1,0,0]=3 882 B9R1.1 N#CC1=CC=C(O)C=C1 C64941 [0,2,0,0,0,0|0,0,0]=2 883 B9R1.1 N#CC1=CC=C(S)C=C1 M64870 [0,2,0,0,0,0|0,1,0]=3 884 B9R1.1 N#CC1=CN=C(Br)C=C1 B41817 [0,2,0,0,0,0|2,0,0]=4 885 B9R1.1 N#CC1=CN=C(Cl)C=C1 C4495 [0,2,0,0,0,0|2,0,0]=4 886 B9R1.1 N#CC1=CN=C(F)C=C1 F13172 [0,2,0,0,0,0|2,0,0]=4 887 B9R1.1 N#CC1=CN=C(N)C=C1 A0556 [0,2,0,0,0,0|2,0,0]=4 888 B9R1.1 N#CC1=CN=C(O)C=C1 H42087 [0,2,0,0,0,0|1,0,0]=3 889 B9R1.1 N#CC1=CNC(=O)C=C1 H12267 [0,2,0,0,0,0|1,0,1]=4 890 B9R1.1 N#CC1=NC=C(Br)C=C1 B4492 [0,2,0,0,0,0|2,0,0]=4 891 B9R1.1 N#CC1=NC=C(Cl)C=C1 C27293 [0,2,0,0,0,0|2,0,0]=4 892 B9R1.1 N#CC1=NC=C(F)C=C1 C38463 [0,2,0,0,0,0|2,0,0]=4 893 B9R1.1 N#CC1=NC=C(I)C=C1 C3011 [0,2,0,0,0,0|2,0,0]=4 894 B9R1.1 N#CC1=NC=C(N)C=C1 A12780 [0,2,0,0,0,0|2,0,0]=4 895 B9R1.1 N#CC1=NC=C(O)C=C1 C7985 [0,2,0,0,0,0|1,0,0]=3 896 B9R1.1 NC1=CC=C(CO)C=C1 A36619 [0,2,0,0,0,0|0,0,0]=2 897 B9R1.1 NC1=NC=C(C=O)C=C1 A12393 [0,2,0,0,0,0|1,0,1]=4 898 B9R1.1 NC1=NC=C(C=O)C=C1 A43519 [0,2,0,0,0,0|1,0,1]=4 899 B9R1.1 NC1=NC=C(CO)C=C1 A0345 [0,2,0,0,0,0|1,0,0]=3 900 B9R1.1 NC1=NC=C(CO)C=N1 A11298 [0,2,0,0,0,0|2,0,0]=4 901 B9R1.1 NCC1=CC=C(Br)C=C1 B36612 [0,2,0,0,0,0|1,0,0]=3 902 B9R1.1 NCC1=CC=C(Br)C=C1 B46090 [0,2,0,0,0,0|1,0,0]=3 903 B9R1.1 NCC1=CC=C(Cl)C=C1 C46099 [0,2,0,0,0,0|1,0,0]=3 904 B9R1.1 NCC1=CC=C(I)C=C1 I36689 [0,2,0,0,0,0|1,0,0]=3 905 B9R1.1 NCC1=CC=C(I)C=C1 K46123 [0,2,0,0,0,0|1,0,0]=3 906 B9R1.1 NCC1=CC=C(N)C=C1 A46581 [0,2,0,0,0,0|1,0,0]=3 907 B9R1.1 NCC1=CC=C(O)C=C1 A67587 [0,2,0,0,0,0|0,0,0]=2 908 B9R1.1 NCC1=CN=C(Br)C=C1 B42976 [0,2,0,0,0,0|2,0,0]=4 909 B9R1.1 NCC1=CN=C(Cl)C=C1 A0585 [0,2,0,0,0,0|2,0,0]=4 910 B9R1.1 NCC1=CN=C(F)C=C1 A13990 [0,2,0,0,0,0|2,0,0]=4 911 B9R1.1 NCC1=CNC(=O)C=C1 A1719 [0,2,0,0,0,0|1,0,1]=4 912 B9R1.1 NCC1=NC=C(Br)C=C1 B15775 [0,2,0,0,0,0|2,0,0]=4 913 B9R1.1 NCC1=NC=C(Br)C=C1 B42983 [0,2,0,0,0,0|2,0,0]=4 914 B9R1.1 NCC1=NC=C(Br)C=C1 B7021 [0,2,0,0,0,0|2,0,0]=4 915 B9R1.1 NCC1=NC=C(Cl)C=C1 C43002 [0,2,0,0,0,0|2,0,0]=4 916 B9R1.1 NCC1=NC=C(Cl)C=C1 C43003 [0,2,0,0,0,0|2,0,0]=4 917 B9R1.1 NCC1=NC=C(N)C=C1 A36932 [0,2,0,0,0,0|2,0,0]=4 918 B9R1.1 NNC1=CC=C(Br)C=C1 B42962 [0,2,0,0,0,0|1,0,0]=3 919 B9R1.1 NNC1=CC=C(Br)C=C1 B42980 [0,2,0,0,0,0|1,0,0]=3 920 B9R1.1 NNC1=CC=C(Cl)C=C1 C61981 [0,2,0,0,0,0|1,0,0]=3 921 B9R1.1 NNC1=CC=C(Cl)C=C1 C68982 [0,2,0,0,0,0|1,0,0]=3 922 B9R1.1 NNC1=CC=C(F)C=C1 F25536 [0,2,0,0,0,0|1,0,0]=3 923 B9R1.1 NNC1=CC=C(I)C=C1 K43029 [0,2,0,0,0,0|1,0,0]=3 924 B9R1.1 NNC1=CN=C(Cl)C=C1 C41073 [0,2,0,0,0,0|2,0,0]=4 925 B9R1.1 NNC1=NC=C(Br)C=C1 B41060 [0,2,0,0,0,0|2,0,0]=4 926 B9R1.1 NNC1=NC=C(Cl)C=C1 C41075 [0,2,0,0,0,0|2,0,0]=4 927 B9R1.1 NNC1=NC=C(F)C=C1 F41395 [0,2,0,0,0,0|2,0,0]=4 928 B9R1.1 O=C1C=CC(CO)=CN1 H37111 [0,2,0,0,0,0|1,0,0]=3 929 B9R1.1 O=CC1=CC=C(Br)C=C1 B67400 [0,2,0,0,0,0|0,0,1]=3 930 B9R1.1 O=CC1=CC=C(Cl)C=C1 C37300 [0,2,0,0,0,0|0,0,1]=3 931 B9R1.1 O=CC1=CC=C(F)C=C1 F4631 [0,2,0,0,0,0|0,0,1]=3 932 B9R1.1 O=CC1=CC=C(I)C=C1 K20170 [0,2,0,0,0,0|0,0,1]=3 933 B9R1.1 O=CC1=CN=C(Br)C=C1 B2834 [0,2,0,0,0,0|1,0,1]=4 934 B9R1.1 O=CC1=CN=C(Cl)C=C1 C3215 [0,2,0,0,0,0|1,0,1]=4 935 B9R1.1 O=CC1=CN=C(F)C=C1 F13991 [0,2,0,0,0,0|1,0,1]=4 936 B9R1.1 O=CC1=CNC(=O)C=C1 X42601 [0,2,0,0,0,0|1,0,1]=4 937 B9R1.1 O=CC1=NC=C(Br)C=C1 B1678 [0,2,0,0,0,0|1,0,1]=4 938 B9R1.1 O=CC1=NC=C(Cl)C=C1 C5623 [0,2,0,0,0,0|1,0,1]=4 939 B9R1.1 O=CC1=NC=C(O)C=C1 H36846 [0,2,0,0,0,0|1,0,0]=3 940 B9R1.1 OCC1=CC=C(Br)C=C1 B67585 [0,2,0,0,0,0|0,0,0]=2 941 B9R1.1 OCC1=CC=C(Cl)C=C1 C39406 [0,2,0,0,0,0|0,0,0]=2 942 B9R1.1 OCC1=CC=C(F)C=C1 F39409 [0,2,0,0,0,0|0,0,0]=2 943 B9R1.1 OCC1=CC=C(I)C=C1 I36662 [0,2,0,0,0,0|0,0,0]=2 944 B9R1.1 OCC1=CN=C(Br)C=C1 B12392 [0,2,0,0,0,0|1,0,0]=3 945 B9R1.1 OCC1=CN=C(Cl)C=C1 C9389 [0,2,0,0,0,0|1,0,0]=3 946 B9R1.1 OCC1=CN=C(Cl)C=N1 C1534 [0,2,0,0,0,0|2,0,0]=4 947 B9R1.1 OCC1=CN=C(Cl)N=C1 C1532 [0,2,0,0,0,0|2,0,0]=4 948 B9R1.1 OCC1=CN=C(F)C=C1 F13989 [0,2,0,0,0,0|1,0,0]=3 949 B9R1.1 OCC1=NC=C(Br)C=C1 B3203 [0,2,0,0,0,0|1,0,0]=3 950 B9R1.1 OCC1=NC=C(Br)C=N1 B14040 [0,2,0,0,0,0|2,0,0]=4 951 B9R1.1 OCC1=NC=C(Cl)C=C1 C22297 [0,2,0,0,0,0|1,0,0]=3 952 B9R1.1 OCC1=NC=C(Cl)C=N1 C14437 [0,2,0,0,0,0|2,0,0]=4 953 B9R1.1 OCC1=NC=C(F)C=C1 F0644 [0,2,0,0,0,0|1,0,0]=3 954 B9R1.1 OCC1=NC=C(F)C=N1 F11272 [0,2,0,0,0,0|2,0,0]=4 955 B9R1.1 OCC1=NN=C(Cl)C=C1 C14684 [0,2,0,0,0,0|2,0,0]=4 956 B9R1.2 BrCC1=CC(Br)=NC=C1 B36914 [0,2,0,0,0,0|2,0,0]=4 957 B9R1.2 BrCC1=CC(Br)=NC=C1 B42520 [0,2,0,0,0,0|2,0,0]=4 958 B9R1.2 BrCC1=CC=CC(Br)=C1 B39369 [0,2,0,0,0,0|1,0,0]=3 959 B9R1.2 BrCC1=CC=CC(Br)=N1 B42519 [0,2,0,0,0,0|2,0,0]=4 960 B9R1.2 BrCC1=CC=CC(I)=C1 B45170 [0,2,0,0,0,0|1,0,0]=3 961 B9R1.2 C#CC1=CC(=O)NC=C1 E44924 [0,2,0,0,0,0|1,0,1]=4 962 B9R1.2 C#CC1=CC(C)=CC=C1 E51331 [0,2,0,0,0,0|1,0,0]=3 963 B9R1.2 C#CC1=CC(Cl)=CN=C1 C44423 [0,2,0,0,0,0|2,0,0]=4 964 B9R1.2 C#CC1=CC(Cl)=NC=C1 C44422 [0,2,0,0,0,0|2,0,0]=4 965 B9R1.2 C#CC1=CC(N)=NC=C1 E16539 [0,2,0,0,0,0|2,0,0]=4 966 B9R1.2 C#CC1=CC=CC(Br)=C1 B47527 [0,2,0,0,0,0|1,0,0]=3 967 B9R1.2 C#CC1=CC=CC(Cl)=C1 C25303 [0,2,0,0,0,0|1,0,0]=3 968 B9R1.2 C#CC1=CC=CC(F)=C1 F47538 [0,2,0,0,0,0|1,0,0]=3 969 B9R1.2 C#CC1=CC=CC(F)=N1 E32331 [0,2,0,0,0,0|2,0,0]=4 970 B9R1.2 C#CC1=CC=CC(N)=C1 E48307 [0,2,0,0,0,0|1,0,0]=3 971 B9R1.2 C#CC1=CC=CC(N)=C1 E49598 [0,2,0,0,0,0|1,0,0]=3 972 B9R1.2 C#CC1=CC=CC(O)=C1 E37627 [0,2,0,0,0,0|0,0,0]=2 973 B9R1.2 C#CC1=CN=CC(N)=C1 E45200 [0,2,0,0,0,0|2,0,0]=4 974 B9R1.2 C#CC1=NC(C)=CC=C1 E13754 [0,2,0,0,0,0|2,0,0]=4 975 B9R1.2 C#CC1=NC=CC(N)=C1 E45197 [0,2,0,0,0,0|2,0,0]=4 976 B9R1.2 C=CC1=CC(Br)=CN=C1 B38372 [0,2,0,0,0,0|2,0,0]=4 977 B9R1.2 C=CC1=CC(F)=CN=C1 E16704 [0,2,0,0,0,0|2,0,0]=4 978 B9R1.2 C=CC1=CC=CC(Br)=C1 B36635 [0,2,0,0,0,0|1,0,0]=3 979 B9R1.2 C=CC1=CC=CC(N)=C1 V49171 [0,2,0,0,0,0|1,0,0]=3 980 B9R1.2 C=CC1=NC(C)=CC=C1 M16640 [0,2,0,0,0,0|2,0,0]=4 981 B9R1.2 C=CC1=NC=CC(Br)=C1 B36792 [0,2,0,0,0,0|2,0,0]=4 982 B9R1.2 C=CC1=NC=CC(Cl)=C1 C45320 [0,2,0,0,0,0|2,0,0]=4 983 B9R1.2 C=CC1=NC=CC(N)=C1 V45970 [0,2,0,0,0,0|2,0,0]=4 984 B9R1.2 CC1=CC(C#N)=CN=C1 M45202 [0,2,0,0,0,0|2,0,0]=4 985 B9R1.2 CC1=CC(C#N)=NC=C1 M3710 [0,2,0,0,0,0|2,0,0]=4 986 B9R1.2 CC1=CC(C=O)=CN=C1 M12908 [0,2,0,0,0,0|1,0,1]=4 987 B9R1.2 CC1=CC(C=O)=NC=C1 M3027 [0,2,0,0,0,0|1,0,1]=4 988 B9R1.2 CC1=CC(CCl)=CN=C1 C46109 [0,2,0,0,0,0|2,0,0]=4 989 B9R1.2 CC1=CC(CCl)=NC=C1 C46106 [0,2,0,0,0,0|2,0,0]=4 990 B9R1.2 CC1=CC(CN)=NC=C1 A62602 [0,2,0,0,0,0|2,0,0]=4 991 B9R1.2 CC1=CC(CN)=NC=C1 M46587 [0,2,0,0,0,0|2,0,0]=4 992 B9R1.2 CC1=CC(CO)=CN=C1 H10516 [0,2,0,0,0,0|1,0,0]=3 993 B9R1.2 CC1=CC(CO)=NC=C1 M46387 [0,2,0,0,0,0|1,0,0]=3 994 B9R1.2 CC1=CC(CO)=NC=N1 M11486 [0,2,0,0,0,0|2,0,0]=4 995 B9R1.2 CC1=CC(CO)=NN=C1 M27710 [0,2,0,0,0,0|2,0,0]=4 996 B9R1.2 CC1=CC=CC(C#N)=N1 C7796 [0,2,0,0,0,0|2,0,0]=4 997 B9R1.2 CC1=CC=CC(C=O)=N1 M67935 [0,2,0,0,0,0|1,0,1]=4 998 B9R1.2 CC1=CC=CC(CBr)=N1 B46087 [0,2,0,0,0,0|2,0,0]=4 999 B9R1.2 CC1=CC=CC(CCl)=N1 C46103 [0,2,0,0,0,0|2,0,0]=4 1000 B9R1.2 CC1=CC=CC(CN)=C1 M37355 [0,2,0,0,0,0|1,0,0]=3 1001 B9R1.2 CC1=CC=CC(CN)=N1 M24786 [0,2,0,0,0,0|2,0,0]=4 1002 B9R1.2 CC1=CC=CC(CN)=N1 M63579 [0,2,0,0,0,0|2,0,0]=4 1003 B9R1.2 CC1=CC=CC(CO)=N1 M46384 [0,2,0,0,0,0|1,0,0]=3 1004 B9R1.2 CC1=CC=CC(NN)=C1 M46458 [0,2,0,0,0,0|1,0,0]=3 1005 B9R1.2 CC1=CC=CC(NN)=N1 H69493 [0,2,0,0,0,0|2,0,0]=4 1006 B9R1.2 CC1=CC=NC(CO)=N1 H11472 [0,2,0,0,0,0|2,0,0]=4 1007 B9R1.2 CC1=NC=CC(C=O)=C1 M36797 [0,2,0,0,0,0|1,0,1]=4 1008 B9R1.2 CC1=NC=CC(CBr)=C1 B37231 [0,2,0,0,0,0|2,0,0]=4 1009 B9R1.2 CC1=NC=CC(CN)=C1 M46586 [0,2,0,0,0,0|2,0,0]=4 1010 B9R1.2 CC1=NC=CC(CO)=C1 M4019 [0,2,0,0,0,0|1,0,0]=3 1011 B9R1.2 CCC1=CC(Br)=CN=C1 B46076 [0,2,0,0,0,0|2,0,0]=4 1012 B9R1.2 CCC1=CC(N)=NC=C1 E4696 [0,2,0,0,0,0|2,0,0]=4 1013 B9R1.2 CCC1=CC=CC(Br)=C1 B49158 [0,2,0,0,0,0|1,0,0]=3 1014 B9R1.2 CCC1=CC=CC(Br)=N1 B46074 [0,2,0,0,0,0|2,0,0]=4 1015 B9R1.2 CCC1=CC=CC(N)=C1 E68361 [0,2,0,0,0,0|1,0,0]=3 1016 B9R1.2 CCC1=CC=CC(N)=N1 E43601 [0,2,0,0,0,0|2,0,0]=4 1017 B9R1.2 CCC1=CC=CC([Mg+])=C1 E31740 [0,2,0,0,0,0|1,0,0]=3 1018 B9R1.2 CCC1=CN=CC(N)=C1 E37485 [0,2,0,0,0,0|2,0,0]=4 1019 B9R1.2 CCC1=NC=CC(Br)=C1 B46078 [0,2,0,0,0,0|2,0,0]=4 1020 B9R1.2 CCC1=NC=CC(N)=C1 A15478 [0,2,0,0,0,0|2,0,0]=4 1021 B9R1.2 CNC1=CC(Br)=NC=C1 B25633 [0,2,0,0,0,0|2,0,0]=4 1022 B9R1.2 CNC1=CC(C)=CC=C1 D46861 [0,2,0,0,0,0|1,0,0]=3 1023 B9R1.2 CNC1=CC=CC(Br)=C1 B46077 [0,2,0,0,0,0|1,0,0]=3 1024 B9R1.2 CNC1=CC=CC(Br)=C1 B66504 [0,2,0,0,0,0|1,0,0]=3 1025 B9R1.2 CNC1=CC=CC(Cl)=N1 C43001 [0,2,0,0,0,0|2,0,0]=4 1026 B9R1.2 CNC1=NC(C)=CC=C1 D43615 [0,2,0,0,0,0|2,0,0]=4 1027 B9R1.2 CNC1=NC=CC(Br)=C1 B23788 [0,2,0,0,0,0|2,0,0]=4 1028 B9R1.2 CNC1=NC=CC(N)=C1 M43544 [0,2,0,0,0,0|2,0,0]=4 1029 B9R1.2 COC1=CC(=O)NC=C1 M43139 [0,2,0,0,0,0|1,0,0]=3 1030 B9R1.2 COC1=CC(=O)NC=N1 M41034 [0,2,0,0,0,0|2,0,0]=4 1031 B9R1.2 COC1=CC(=O)NN=C1 M17895 [0,2,0,0,0,0|2,0,0]=4 1032 B9R1.2 COC1=CC(Br)=CN=C1 B2876 [0,2,0,0,0,0|1,0,0]=3 1033 B9R1.2 COC1=CC(Br)=NC=C1 B9053 [0,2,0,0,0,0|1,0,0]=3 1034 B9R1.2 COC1=CC(Br)=NC=N1 B40914 [0,2,0,0,0,0|2,0,0]=4 1035 B9R1.2 COC1=CC(C)=NC=C1 M22575 [0,2,0,0,0,0|1,0,0]=3 1036 B9R1.2 COC1=CC(Cl)=NC=C1 C5269 [0,2,0,0,0,0|1,0,0]=3 1037 B9R1.2 COC1=CC(Cl)=NC=N1 C2357 [0,2,0,0,0,0|2,0,0]=4 1038 B9R1.2 COC1=CC(Cl)=NN=C1 C11516 [0,2,0,0,0,0|2,0,0]=4 1039 B9R1.2 COC1=CC(F)=NC=C1 F21874 [0,2,0,0,0,0|1,0,0]=3 1040 B9R1.2 COC1=CC(I)=NC=N1 I2358 [0,2,0,0,0,0|2,0,0]=4 1041 B9R1.2 COC1=CC(N)=NC=C1 A43189 [0,2,0,0,0,0|1,0,0]=3 1042 B9R1.2 COC1=CC(O)=CC=C1 M27960 [0,2,0,0,0,0|0,0,0]=2 1043 B9R1.2 COC1=CC=CC(Br)=N1 B2785 [0,2,0,0,0,0|1,0,0]=3 1044 B9R1.2 COC1=CC=CC(Cl)=N1 C39269 [0,2,0,0,0,0|1,0,0]=3 1045 B9R1.2 COC1=CC=CC(F)=C1 F45965 [0,2,0,0,0,0|0,0,0]=2 1046 B9R1.2 COC1=CC=CC(F)=N1 F67375 [0,2,0,0,0,0|1,0,0]=3 1047 B9R1.2 COC1=CC=CC(I)=C1 K45966 [0,2,0,0,0,0|0,0,0]=2 1048 B9R1.2 COC1=CC=CC(I)=N1 K42932 [0,2,0,0,0,0|1,0,0]=3 1049 B9R1.2 COC1=CC=CC([Mg+])=C1 M31743 [0,2,0,0,0,0|0,0,0]=2 1050 B9R1.2 COC1=CC=NC(Br)=N1 B38735 [0,2,0,0,0,0|2,0,0]=4 1051 B9R1.2 COC1=CC=NC(Cl)=N1 C40928 [0,2,0,0,0,0|2,0,0]=4 1052 B9R1.2 COC1=CC=NC(I)=N1 K40943 [0,2,0,0,0,0|2,0,0]=4 1053 B9R1.2 COC1=CN=CC(Cl)=N1 C2454 [0,2,0,0,0,0|2,0,0]=4 1054 B9R1.2 COC1=CN=CC(I)=N1 I2676 [0,2,0,0,0,0|2,0,0]=4 1055 B9R1.2 COC1=CN=CC(N)=C1 A14114 [0,2,0,0,0,0|1,0,0]=3 1056 B9R1.2 COC1=CN=CC(N)=C1 A7930 [0,2,0,0,0,0|1,0,0]=3 1057 B9R1.2 COC1=CN=CC(O)=C1 M43136 [0,2,0,0,0,0|1,0,0]=3 1058 B9R1.2 COC1=NC(C)=CC=C1 M46380 [0,2,0,0,0,0|1,0,0]=3 1059 B9R1.2 COC1=NC(C)=CC=N1 M43202 [0,2,0,0,0,0|2,0,0]=4 1060 B9R1.2 COC1=NC(C)=NC=C1 M43205 [0,2,0,0,0,0|2,0,0]=4 1061 B9R1.2 COC1=NC(N)=CC=C1 A43190 [0,2,0,0,0,0|1,0,0]=3 1062 B9R1.2 COC1=NC(N)=CC=N1 A4018 [0,2,0,0,0,0|2,0,0]=4 1063 B9R1.2 COC1=NC(N)=CN=C1 A8995 [0,2,0,0,0,0|2,0,0]=4 1064 B9R1.2 COC1=NC(N)=NC=C1 M0076 [0,2,0,0,0,0|2,0,0]=4 1065 B9R1.2 COC1=NC=CC(Br)=C1 B3113 [0,2,0,0,0,0|1,0,0]=3 1066 B9R1.2 COC1=NC=CC(Br)=N1 B5967 [0,2,0,0,0,0|2,0,0]=4 1067 B9R1.2 COC1=NC=CC(C)=C1 M46379 [0,2,0,0,0,0|1,0,0]=3 1068 B9R1.2 COC1=NC=CC(Cl)=C1 C42902 [0,2,0,0,0,0|1,0,0]=3 1069 B9R1.2 COC1=NC=CC(Cl)=N1 C40930 [0,2,0,0,0,0|2,0,0]=4 1070 B9R1.2 COC1=NC=CC(F)=C1 F42927 [0,2,0,0,0,0|1,0,0]=3 1071 B9R1.2 COC1=NC=CC(I)=C1 K60534 [0,2,0,0,0,0|1,0,0]=3 1072 B9R1.2 COC1=NC=CC(N)=C1 M3947 [0,2,0,0,0,0|1,0,0]=3 1073 B9R1.2 COC1=NC=CC(O)=C1 M38428 [0,2,0,0,0,0|1,0,0]=3 1074 B9R1.2 COC1=NC=NC(C)=C1 M43206 [0,2,0,0,0,0|2,0,0]=4 1075 B9R1.2 COC1=NC=NC(N)=C1 A12998 [0,2,0,0,0,0|2,0,0]=4 1076 B9R1.2 CSC1=CC(N)=CC=C1 M46442 [0,2,0,0,0,0|0,1,0]=3 1077 B9R1.2 CSC1=CC=CC(Br)=C1 B45613 [0,2,0,0,0,0|0,1,0]=3 1078 B9R1.2 CSC1=CC=CC(Br)=N1 B2786 [0,2,0,0,0,0|1,1,0]=4 1079 B9R1.2 CSC1=NC(O)=CC=N1 M5030 [0,2,0,0,0,0|2,0,0]=4 1080 B9R1.2 CSC1=NC=CC(Cl)=C1 C42846 [0,2,0,0,0,0|1,1,0]=4 1081 B9R1.2 ClC1=CC=CC(CBr)=C1 B39371 [0,2,0,0,0,0|1,0,0]=3 1082 B9R1.2 ClC1=NC=CC(CBr)=C1 B42538 [0,2,0,0,0,0|2,0,0]=4 1083 B9R1.2 ClCC1=CC(Br)=CN=C1 B15185 [0,2,0,0,0,0|2,0,0]=4 1084 B9R1.2 ClCC1=CC(Cl)=CN=C1 C1777 [0,2,0,0,0,0|2,0,0]=4 1085 B9R1.2 ClCC1=CC(Cl)=NC=C1 C12077 [0,2,0,0,0,0|2,0,0]=4 1086 B9R1.2 ClCC1=CC=CC(Br)=C1 B45159 [0,2,0,0,0,0|1,0,0]=3 1087 B9R1.2 ClCC1=CC=CC(Br)=N1 B27809 [0,2,0,0,0,0|2,0,0]=4 1088 B9R1.2 ClCC1=CC=CC(Cl)=N1 C42562 [0,2,0,0,0,0|2,0,0]=4 1089 B9R1.2 ClCC1=CC=CC(I)=C1 C45183 [0,2,0,0,0,0|1,0,0]=3 1090 B9R1.2 ClCC1=NC=CC(Cl)=C1 C32395 [0,2,0,0,0,0|2,0,0]=4 1091 B9R1.2 FC1=CC(CBr)=CN=C1 B37165 [0,2,0,0,0,0|2,0,0]=4 1092 B9R1.2 FC1=CC(CCl)=CN=C1 C1821 [0,2,0,0,0,0|2,0,0]=4 1093 B9R1.2 FC1=CC=CC(CBr)=C1 B45165 [0,2,0,0,0,0|1,0,0]=3 1094 B9R1.2 FC1=CC=CC(CBr)=N1 B42547 [0,2,0,0,0,0|2,0,0]=4 1095 B9R1.2 FC1=CC=CC(CCl)=N1 C42570 [0,2,0,0,0,0|2,0,0]=4 1096 B9R1.2 N#CC1=CC(Br)=CN=C1 B12737 [0,2,0,0,0,0|2,0,0]=4 1097 B9R1.2 N#CC1=CC(Br)=NC=C1 B32425 [0,2,0,0,0,0|2,0,0]=4 1098 B9R1.2 N#CC1=CC(Cl)=CN=C1 C41827 [0,2,0,0,0,0|2,0,0]=4 1099 B9R1.2 N#CC1=CC(F)=CN=C1 F41835 [0,2,0,0,0,0|2,0,0]=4 1100 B9R1.2 N#CC1=CC(F)=NC=C1 C2804 [0,2,0,0,0,0|2,0,0]=4 1101 B9R1.2 N#CC1=CC(N)=NC=C1 A2705 [0,2,0,0,0,0|2,0,0]=4 1102 B9R1.2 N#CC1=CC(O)=CN=C1 H36685 [0,2,0,0,0,0|1,0,0]=3 1103 B9R1.2 N#CC1=CC(O)=NC=C1 H12502 [0,2,0,0,0,0|1,0,0]=3 1104 B9R1.2 N#CC1=CC=CC(Br)=C1 B67572 [0,2,0,0,0,0|1,0,0]=3 1105 B9R1.2 N#CC1=CC=CC(Br)=N1 B0018 [0,2,0,0,0,0|2,0,0]=4 1106 B9R1.2 N#CC1=CC=CC(Cl)=C1 C39326 [0,2,0,0,0,0|1,0,0]=3 1107 B9R1.2 N#CC1=CC=CC(Cl)=N1 C4790 [0,2,0,0,0,0|2,0,0]=4 1108 B9R1.2 N#CC1=CC=CC(F)=C1 F39329 [0,2,0,0,0,0|1,0,0]=3 1109 B9R1.2 N#CC1=CC=CC(F)=N1 F38605 [0,2,0,0,0,0|2,0,0]=4 1110 B9R1.2 N#CC1=CC=CC(I)=C1 K44442 [0,2,0,0,0,0|1,0,0]=3 1111 B9R1.2 N#CC1=CC=CC(O)=C1 H64947 [0,2,0,0,0,0|0,0,0]=2 1112 B9R1.2 N#CC1=CN=CC(N)=C1 A37387 [0,2,0,0,0,0|2,0,0]=4 1113 B9R1.2 N#CC1=NC(N)=CC=C1 A23336 [0,2,0,0,0,0|2,0,0]=4 1114 B9R1.2 N#CC1=NC=CC(Br)=C1 B0041 [0,2,0,0,0,0|2,0,0]=4 1115 B9R1.2 N#CC1=NC=CC(Cl)=C1 C12276 [0,2,0,0,0,0|2,0,0]=4 1116 B9R1.2 N#CC1=NC=CC(N)=C1 A0248 [0,2,0,0,0,0|2,0,0]=4 1117 B9R1.2 N#CC1=NC=CC(O)=C1 H42086 [0,2,0,0,0,0|1,0,0]=3 1118 B9R1.2 NC1=CC(C=O)=NC=C1 A37575 [0,2,0,0,0,0|1,0,1]=4 1119 B9R1.2 NC1=CC(CO)=CN=C1 A43207 [0,2,0,0,0,0|1,0,0]=3 1120 B9R1.2 NC1=CC(CO)=NC=C1 A15900 [0,2,0,0,0,0|1,0,0]=3 1121 B9R1.2 NC1=CC=CC(C=O)=C1 A46548 [0,2,0,0,0,0|0,0,1]=3 1122 B9R1.2 NC1=CC=CC(CO)=C1 A37868 [0,2,0,0,0,0|0,0,0]=2 1123 B9R1.2 NC1=CC=CC(CO)=N1 A43208 [0,2,0,0,0,0|1,0,0]=3 1124 B9R1.2 NC1=NC=CC(CO)=C1 A10460 [0,2,0,0,0,0|1,0,0]=3 1125 B9R1.2 NC1=NC=CC(CO)=N1 A38214 [0,2,0,0,0,0|2,0,0]=4 1126 B9R1.2 NCC1=CC(=O)NC=C1 A1717 [0,2,0,0,0,0|1,0,1]=4 1127 B9R1.2 NCC1=CC(Br)=NC=C1 B25759 [0,2,0,0,0,0|2,0,0]=4 1128 B9R1.2 NCC1=CC(Cl)=NC=C1 A10467 [0,2,0,0,0,0|2,0,0]=4 1129 B9R1.2 NCC1=CC(Cl)=NC=C1 C30000 [0,2,0,0,0,0|2,0,0]=4 1130 B9R1.2 NCC1=CC(F)=CN=C1 F5829 [0,2,0,0,0,0|2,0,0]=4 1131 B9R1.2 NCC1=CC(F)=NC=C1 F43572 [0,2,0,0,0,0|2,0,0]=4 1132 B9R1.2 NCC1=CC(F)=NC=C1 F61414 [0,2,0,0,0,0|2,0,0]=4 1133 B9R1.2 NCC1=CC(N)=NC=C1 A43343 [0,2,0,0,0,0|2,0,0]=4 1134 B9R1.2 NCC1=CC=CC(Br)=C1 B46079 [0,2,0,0,0,0|1,0,0]=3 1135 B9R1.2 NCC1=CC=CC(Br)=N1 B42981 [0,2,0,0,0,0|2,0,0]=4 1136 B9R1.2 NCC1=CC=CC(Cl)=C1 C46098 [0,2,0,0,0,0|1,0,0]=3 1137 B9R1.2 NCC1=CC=CC(Cl)=N1 C43006 [0,2,0,0,0,0|2,0,0]=4 1138 B9R1.2 NCC1=CC=CC(F)=C1 F15968 [0,2,0,0,0,0|1,0,0]=3 1139 B9R1.2 NCC1=CC=CC(I)=C1 K46122 [0,2,0,0,0,0|1,0,0]=3 1140 B9R1.2 NCC1=CC=CC(N)=C1 A43599 [0,2,0,0,0,0|1,0,0]=3 1141 B9R1.2 NCC1=NC=CC(Br)=C1 A1747 [0,2,0,0,0,0|2,0,0]=4 1142 B9R1.2 NCC1=NC=CC(Br)=C1 B42982 [0,2,0,0,0,0|2,0,0]=4 1143 B9R1.2 NCC1=NC=CC(Cl)=C1 A14281 [0,2,0,0,0,0|2,0,0]=4 1144 B9R1.2 NCC1=NC=CC(F)=C1 F43529 [0,2,0,0,0,0|2,0,0]=4 1145 B9R1.2 NNC1=CC(=O)NC=C1 H41142 [0,2,0,0,0,0|1,0,1]=4 1146 B9R1.2 NNC1=CC(Cl)=NC=C1 C68130 [0,2,0,0,0,0|2,0,0]=4 1147 B9R1.2 NNC1=CC(O)=NC=N1 H40204 [0,2,0,0,0,0|2,0,0]=4 1148 B9R1.2 NNC1=CC=CC(Br)=C1 B42979 [0,2,0,0,0,0|1,0,0]=3 1149 B9R1.2 NNC1=CC=CC(Br)=N1 B41059 [0,2,0,0,0,0|2,0,0]=4 1150 B9R1.2 NNC1=CC=CC(Cl)=N1 C4990 [0,2,0,0,0,0|2,0,0]=4 1151 B9R1.2 NNC1=CC=CC(F)=C1 F43527 [0,2,0,0,0,0|1,0,0]=3 1152 B9R1.2 NNC1=NC=CC(Cl)=C1 C41074 [0,2,0,0,0,0|2,0,0]=4 1153 B9R1.2 O=C1C=C(CO)C=CN1 H0460 [0,2,0,0,0,0|1,0,0]=3 1154 B9R1.2 O=C1C=CC=C(CO)N1 H23237 [0,2,0,0,0,0|1,0,0]=3 1155 B9R1.2 O=CC1=CC(Br)=CN=C1 B3012 [0,2,0,0,0,0|1,0,1]=4 1156 B9R1.2 O=CC1=CC(Br)=NC=C1 B2598 [0,2,0,0,0,0|1,0,1]=4 1157 B9R1.2 O=CC1=CC(Cl)=CN=C1 C15036 [0,2,0,0,0,0|1,0,1]=4 1158 B9R1.2 O=CC1=CC(Cl)=NC=C1 C0408 [0,2,0,0,0,0|1,0,1]=4 1159 B9R1.2 O=CC1=CC(F)=CN=C1 F15543 [0,2,0,0,0,0|1,0,1]=4 1160 B9R1.2 O=CC1=CC(F)=NC=C1 F2753 [0,2,0,0,0,0|1,0,1]=4 1161 B9R1.2 O=CC1=CC(O)=CC=C1 H15969 [0,2,0,0,0,0|0,0,0]=2 1162 B9R1.2 O=CC1=CC(O)=NC=C1 H42599 [0,2,0,0,0,0|1,0,0]=3 1163 B9R1.2 O=CC1=CC=CC(Br)=C1 B68146 [0,2,0,0,0,0|0,0,1]=3 1164 B9R1.2 O=CC1=CC=CC(Br)=N1 B0253 [0,2,0,0,0,0|1,0,1]=4 1165 B9R1.2 O=CC1=CC=CC(Cl)=C1 C69283 [0,2,0,0,0,0|0,0,1]=3 1166 B9R1.2 O=CC1=CC=CC(Cl)=N1 C42296 [0,2,0,0,0,0|1,0,1]=4 1167 B9R1.2 O=CC1=CC=CC(F)=C1 F45149 [0,2,0,0,0,0|0,0,1]=3 1168 B9R1.2 O=CC1=CC=CC(F)=N1 F42303 [0,2,0,0,0,0|1,0,1]=4 1169 B9R1.2 O=CC1=CC=CC(I)=C1 K45152 [0,2,0,0,0,0|0,0,1]=3 1170 B9R1.2 O=CC1=CN=CC(O)=C1 H37579 [0,2,0,0,0,0|1,0,0]=3 1171 B9R1.2 O=CC1=NC=CC(Br)=C1 B15000 [0,2,0,0,0,0|1,0,1]=4 1172 B9R1.2 O=CC1=NC=CC(Cl)=C1 C10313 [0,2,0,0,0,0|1,0,1]=4 1173 B9R1.2 O=CC1=NC=CC(F)=C1 F16335 [0,2,0,0,0,0|1,0,1]=4 1174 B9R1.2 OC1=CC=CC(CBr)=C1 B38962 [0,2,0,0,0,0|0,0,0]=2 1175 B9R1.2 OCC1=CC(Br)=CN=C1 B12503 [0,2,0,0,0,0|1,0,0]=3 1176 B9R1.2 OCC1=CC(Br)=NC=C1 B42880 [0,2,0,0,0,0|1,0,0]=3 1177 B9R1.2 OCC1=CC(Cl)=CN=C1 C42912 [0,2,0,0,0,0|1,0,0]=3 1178 B9R1.2 OCC1=CC(Cl)=NC=C1 C12733 [0,2,0,0,0,0|1,0,0]=3 1179 B9R1.2 OCC1=CC(Cl)=NC=N1 C11372 [0,2,0,0,0,0|2,0,0]=4 1180 B9R1.2 OCC1=CC(F)=CN=C1 F0704 [0,2,0,0,0,0|1,0,0]=3 1181 B9R1.2 OCC1=CC(O)=CN=C1 H39124 [0,2,0,0,0,0|1,0,0]=3 1182 B9R1.2 OCC1=CC=CC(Br)=N1 B12271 [0,2,0,0,0,0|1,0,0]=3 1183 B9R1.2 OCC1=CC=CC(Cl)=C1 C39405 [0,2,0,0,0,0|0,0,0]=2 1184 B9R1.2 OCC1=CC=CC(Cl)=N1 C38619 [0,2,0,0,0,0|1,0,0]=3 1185 B9R1.2 OCC1=CC=CC(Cl)=N1 C42916 [0,2,0,0,0,0|1,0,0]=3 1186 B9R1.2 OCC1=CC=CC(F)=C1 F39408 [0,2,0,0,0,0|0,0,0]=2 1187 B9R1.2 OCC1=CC=CC(F)=N1 F67771 [0,2,0,0,0,0|1,0,0]=3 1188 B9R1.2 OCC1=CC=CC(I)=C1 H61971 [0,2,0,0,0,0|0,0,0]=2 1189 B9R1.2 OCC1=CN=CC(Br)=N1 B40916 [0,2,0,0,0,0|2,0,0]=4 1190 B9R1.2 OCC1=CN=CC(Cl)=N1 C14609 [0,2,0,0,0,0|2,0,0]=4 1191 B9R1.2 OCC1=NC=CC(Br)=C1 B0602 [0,2,0,0,0,0|1,0,0]=3 1192 B9R1.2 OCC1=NC=CC(Cl)=C1 C12436 [0,2,0,0,0,0|1,0,0]=3 1193 B9R1.2 OCC1=NC=CC(F)=C1 F37340 [0,2,0,0,0,0|1,0,0]=3 1194 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [0,2,0,0,0,0|2,0,0]=4 1195 B9R1.6 CN(C)C1=CC=NC=C1 P68104 [0,2,0,0,0,0|2,0,0]=4 1196 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [0,2,0,0,0,0|1,0,0]=3 1197 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [0,2,0,0,0,0|2,0,0]=4 1198 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P43606 [0,2,0,0,0,0|2,0,0]=4 1199 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P46584 [0,2,0,0,0,0|2,0,0]=4 1200 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [0,2,0,0,0,0|2,0,0]=4 1201 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [0,2,0,0,0,0|2,0,0]=4 1202 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [0,2,0,0,0,0|0,0,0]=2 1203 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [0,2,0,0,0,0|1,0,0]=3 1204 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [0,2,0,0,0,0|1,0,0]=3 1205 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [0,2,0,0,0,0|1,0,0]=3 1206 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [0,2,0,0,0,0|1,0,0]=3 1207 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [0,2,0,0,0,0|2,0,0]=4 1208 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [0,2,0,0,0,0|2,0,0]=4 1209 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [0,2,0,0,0,0|2,0,0]=4 1210 B9R1.6 C[C@H](N)C1=CC=NC=C1 P43607 [0,2,0,0,0,0|2,0,0]=4 1211 B9R1.6 C[C@H](N)C1=CC=NC=C1 P46582 [0,2,0,0,0,0|2,0,0]=4 1212 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [0,2,0,0,0,0|2,0,0]=4 1213 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [0,2,0,0,0,0|2,0,0]=4 1214 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [0,2,0,0,0,0|0,0,0]=2 1215 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [0,2,0,0,0,0|1,0,0]=3 1216 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [0,2,0,0,0,0|1,0,0]=3 1217 B9R1.6 C[C@H](O)C1=NC=CN=C1 P43187 [0,2,0,0,0,0|2,0,0]=4 1218 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [0,2,0,0,0,0|0,0,1]=3 1219 B9R1.6 C[S@](=O)C1=NC=CC=C1 M43172 [0,2,0,0,0,0|1,0,1]=4 1220 B9R1.6 N=C(N)C1=CC=CC=C1 B39428 [0,2,0,0,0,0|1,0,0]=3 1221 B9R1.6 N=C(N)C1=CC=CN=C1 N43530 [0,2,0,0,0,0|2,0,0]=4 1222 B9R1.6 N=C(N)C1=CC=NC=C1 N43531 [0,2,0,0,0,0|2,0,0]=4 1223 B9R1.6 N=C(N)C1=NC=CC=C1 A3829 [0,2,0,0,0,0|2,0,0]=4 1224 B9R1.6 N=C(N)C1=NC=CC=C1 P43087 [0,2,0,0,0,0|2,0,0]=4 1225 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [0,2,0,0,0,0|0,0,1]=3 1226 B9R1.6 NC(=O)C1=NC=CC=C1 P60877 [0,2,0,0,0,0|1,0,1]=4 1227 B9R1.6 O=C(Cl)C1=CC=NC=C1 N39246 [0,2,0,0,0,0|1,0,1]=4 1228 B9R1.6 O=C(Cl)C1=NC=CC=C1 P42299 [0,2,0,0,0,0|1,0,1]=4 1229 B9R1.6 O=C(O)C1=CN=CN=C1 P2410 [0,2,0,0,0,0|2,0,0]=4 1230 B9R1.6 O=C(O)C1=CN=NC=C1 P3453 [0,2,0,0,0,0|2,0,0]=4 1231 B9R1.6 O=C(O)C1=NC=CC=C1 P62145 [0,2,0,0,0,0|1,0,0]=3 1232 B9R1.6 O=C(O)C1=NC=CC=N1 P5589 [0,2,0,0,0,0|2,0,0]=4 1233 B9R1.6 O=C(O)C1=NC=CN=C1 P2716 [0,2,0,0,0,0|2,0,0]=4 1234 B9R1.6 O=C(O)C1=NC=NC=C1 P4579 [0,2,0,0,0,0|2,0,0]=4 1235 B9R1.6 O=C(O)C1=NN=CC=C1 P3149 [0,2,0,0,0,0|2,0,0]=4 1236 B9R1.6 O=[S@]([O-])C1=CC=CC=C1 S68689 [0,2,0,0,0,0|0,0,1]=3 1237 B9R1.6 OB(O)C1=CC=NC=C1 P5100 [0,2,0,0,0,0|1,0,0]=3 1238 B9R1.6 OB(O)C1=CN=CC=C1 P5080 [0,2,0,0,0,0|1,0,0]=3 1239 B9R1.6 OB(O)C1=CN=CN=C1 P5106 [0,2,0,0,0,0|2,0,0]=4 1240 B9R1.6 OB(O)C1=NC=CC=C1 P36680 [0,2,0,0,0,0|1,0,0]=3 1241 B9R1.6 OB(O)C1=NC=CN=C1 P36936 [0,2,0,0,0,0|2,0,0]=4 1242 B9R1.6 OB(O)C1=NC=NC=C1 P32118 [0,2,0,0,0,0|2,0,0]=4 1243 B9R1.8 BrCCC1=CC=NC=C1 B46088 [0,2,0,0,0,0|2,0,0]=4 1244 B9R1.8 CC#CC1=CC=CC=C1 P68608 [0,2,0,0,0,0|1,0,0]=3 1245 B9R1.8 CCCC1=NC=CC=C1 P46859 [0,2,0,0,0,0|2,0,0]=4 1246 B9R1.8 CCOC1=NC=CC=C1 E46369 [0,2,0,0,0,0|1,0,0]=3 1247 B9R1.8 CNCC1=CC=NC=C1 M43623 [0,2,0,0,0,0|2,0,0]=4 1248 B9R1.8 CNNC1=CC=CC=C1 M46459 [0,2,0,0,0,0|1,0,0]=3 1249 B9R1.8 COCC1=NC=CC=C1 M46377 [0,2,0,0,0,0|1,0,0]=3 1250 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [0,2,0,0,0,0|1,0,0]=3 1251 B9R1.8 IC#CC1=CC=CC=C1 I1886 [0,2,0,0,0,0|1,0,0]=3 1252 B9R1.8 N#CCC1=CN=CC=C1 P38543 [0,2,0,0,0,0|2,0,0]=4 1253 B9R1.8 N#CCC1=NC=CC=C1 P45196 [0,2,0,0,0,0|2,0,0]=4 1254 B9R1.8 N#COC1=CC=CC=C1 P44923 [0,2,0,0,0,0|0,0,0]=2 1255 B9R1.8 NCCC1=CC=CN=C1 P43605 [0,2,0,0,0,0|2,0,0]=4 1256 B9R1.8 NCCC1=NC=CC=C1 P67673 [0,2,0,0,0,0|2,0,0]=4 1257 B9R1.8 NNCC1=CC=CC=C1 B6123 [0,2,0,0,0,0|1,0,0]=3 1258 B9R1.8 NNCC1=CC=CC=C1 B68081 [0,2,0,0,0,0|1,0,0]=3 1259 B9R1.8 NNCC1=CC=CN=C1 H0097 [0,2,0,0,0,0|2,0,0]=4 1260 B9R1.8 NNCC1=CC=CN=C1 H36962 [0,2,0,0,0,0|2,0,0]=4 1261 B9R1.8 NNCC1=CC=NC=C1 H0096 [0,2,0,0,0,0|2,0,0]=4 1262 B9R1.8 NNCC1=CC=NC=C1 H26285 [0,2,0,0,0,0|2,0,0]=4 1263 B9R1.8 NNCC1=NC=CC=C1 H0098 [0,2,0,0,0,0|2,0,0]=4 1264 B9R1.8 NOCC1=CC=CC=C1 B68114 [0,2,0,0,0,0|0,0,0]=2 1265 B9R1.8 O=C=NC1=NC=CC=C1 C64750 [0,2,0,0,0,0|1,0,1]=4 1266 B9R1.8 O=COC1=CC=CC=C1 P45508 [0,2,0,0,0,0|0,0,0]=2 1267 B9R1.8 OCCC1=CC=NC=C1 H46381 [0,2,0,0,0,0|1,0,0]=3 1268 B9R1.8 OCCC1=CN=CC=C1 P46376 [0,2,0,0,0,0|1,0,0]=3 1269 B9R1.8 OCCC1=NC=CN=C1 P24824 [0,2,0,0,0,0|2,0,0]=4 1270 B9R1.8 ON=CC1=NC=NC=C1 P40960 [0,2,0,0,0,0|2,0,0]=4 1271 B9R1.8 ONCC1=CC=CC=C1 B36744 [0,2,0,0,0,0|0,0,0]=2 1272 B9R1.8 ONCC1=CC=CC=C1 B46575 [0,2,0,0,0,0|0,0,0]=2 1273 B9R1.8 O\N=C\C1=CC=CC=C1 B61148 [0,2,0,0,0,0|0,0,0]=2 1274 B9R1.8 S=C=NC1=CC=CC=C1 T64712 [0,2,0,0,0,0|0,1,0]=3 1275 B9R1.8 S=C=NC1=CC=NC=C1 T64211 [0,2,0,0,0,0|1,1,0]=4 1276 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [0,2,0,0,0,0|1,0,0]=3 1277 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [0,2,0,0,0,0|1,0,0]=3 1278 B9R1.8 [N-]=[N+]=NC1=CN=CC=C1 A2019 [0,2,0,0,0,0|2,0,0]=4 1279 B9R1.15 BrCC1=C(Br)C=CC=N1 B32048 [0,2,0,0,0,0|2,0,0]=4 1280 B9R1.15 BrCC1=C(I)C=CC=C1 B37896 [0,2,0,0,0,0|1,0,0]=3 1281 B9R1.15 C#CC1=C(Br)C=CC=C1 B38613 [0,2,0,0,0,0|1,0,0]=3 1282 B9R1.15 C#CC1=C(Cl)C=CC=C1 C38576 [0,2,0,0,0,0|1,0,0]=3 1283 B9R1.15 C#CC1=C(F)C=CC=C1 E47539 [0,2,0,0,0,0|1,0,0]=3 1284 B9R1.15 C#CC1=C(N)C=CC=C1 E24087 [0,2,0,0,0,0|1,0,0]=3 1285 B9R1.15 C#CC1=C(N)C=CN=C1 E37259 [0,2,0,0,0,0|2,0,0]=4 1286 B9R1.15 C#CC1=C(N)C=NC=C1 E45199 [0,2,0,0,0,0|2,0,0]=4 1287 B9R1.15 C#CC1=C(O)C=CC=C1 E48112 [0,2,0,0,0,0|0,0,0]=2 1288 B9R1.15 C#CC1=CC=CN=C1F E44435 [0,2,0,0,0,0|2,0,0]=4 1289 B9R1.15 C#CC1=CC=CN=C1N E45198 [0,2,0,0,0,0|2,0,0]=4 1290 B9R1.15 C=CC1=C(Br)C=CC=C1 B48296 [0,2,0,0,0,0|1,0,0]=3 1291 B9R1.15 C=CC1=C(Cl)C=CC=C1 C48303 [0,2,0,0,0,0|1,0,0]=3 1292 B9R1.15 C=CC1=C(N)C=CC=C1 V36733 [0,2,0,0,0,0|1,0,0]=3 1293 B9R1.15 CC1=C(C#N)C=CC=N1 C10623 [0,2,0,0,0,0|2,0,0]=4 1294 B9R1.15 CC1=C(C#N)C=CN=C1 M14014 [0,2,0,0,0,0|2,0,0]=4 1295 B9R1.15 CC1=C(C#N)C=NC=C1 M14105 [0,2,0,0,0,0|2,0,0]=4 1296 B9R1.15 CC1=C(C=O)C=CC=N1 M1759 [0,2,0,0,0,0|1,0,1]=4 1297 B9R1.15 CC1=C(C=O)C=NC=C1 M1852 [0,2,0,0,0,0|1,0,1]=4 1298 B9R1.15 CC1=C(CBr)C=CC=N1 B15311 [0,2,0,0,0,0|2,0,0]=4 1299 B9R1.15 CC1=C(CBr)C=NC=C1 B37536 [0,2,0,0,0,0|2,0,0]=4 1300 B9R1.15 CC1=C(CCl)C=CC=N1 C14756 [0,2,0,0,0,0|2,0,0]=4 1301 B9R1.15 CC1=C(CCl)C=CN=C1 C13917 [0,2,0,0,0,0|2,0,0]=4 1302 B9R1.15 CC1=C(CCl)C=CN=C1 C46110 [0,2,0,0,0,0|2,0,0]=4 1303 B9R1.15 CC1=C(CCl)C=NC=C1 C14757 [0,2,0,0,0,0|2,0,0]=4 1304 B9R1.15 CC1=C(CCl)C=NC=C1 C46108 [0,2,0,0,0,0|2,0,0]=4 1305 B9R1.15 CC1=C(CN)C=CC=C1 M65907 [0,2,0,0,0,0|1,0,0]=3 1306 B9R1.15 CC1=C(CN)C=NC=C1 A11511 [0,2,0,0,0,0|2,0,0]=4 1307 B9R1.15 CC1=C(CO)C=CN=C1 H1761 [0,2,0,0,0,0|1,0,0]=3 1308 B9R1.15 CC1=C(CO)C=CN=N1 M63840 [0,2,0,0,0,0|2,0,0]=4 1309 B9R1.15 CC1=C(CO)C=NC=C1 H11512 [0,2,0,0,0,0|1,0,0]=3 1310 B9R1.15 CC1=C(NN)C=CC=C1 T39424 [0,2,0,0,0,0|1,0,0]=3 1311 B9R1.15 CC1=CC=CN=C1C#N M29764 [0,2,0,0,0,0|2,0,0]=4 1312 B9R1.15 CC1=CC=CN=C1C=O M1872 [0,2,0,0,0,0|1,0,1]=4 1313 B9R1.15 CC1=CC=CN=C1CCl C14758 [0,2,0,0,0,0|2,0,0]=4 1314 B9R1.15 CC1=CC=CN=C1CCl C46105 [0,2,0,0,0,0|2,0,0]=4 1315 B9R1.15 CC1=CC=CN=C1CN M46460 [0,2,0,0,0,0|2,0,0]=4 1316 B9R1.15 CC1=CC=CN=C1CO H46388 [0,2,0,0,0,0|1,0,0]=3 1317 B9R1.15 CC1=NC=CN=C1CO H14616 [0,2,0,0,0,0|2,0,0]=4 1318 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [0,2,0,0,0,0|1,0,0]=3 1319 B9R1.15 CCC1=C(Br)C=CC=N1 B23432 [0,2,0,0,0,0|2,0,0]=4 1320 B9R1.15 CCC1=C(Br)C=CN=C1 B10961 [0,2,0,0,0,0|2,0,0]=4 1321 B9R1.15 CCC1=C(Br)C=CN=C1 B30062 [0,2,0,0,0,0|2,0,0]=4 1322 B9R1.15 CCC1=C(Br)C=NC=C1 B23431 [0,2,0,0,0,0|2,0,0]=4 1323 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [0,2,0,0,0,0|1,0,0]=3 1324 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [0,2,0,0,0,0|1,0,0]=3 1325 B9R1.15 CC[N+]1=C(Br)C=CC=C1 B46367 [0,2,0,0,0,0|2,0,0]=4 1326 B9R1.15 CNC1=C(Br)C=CC=C1 B46075 [0,2,0,0,0,0|1,0,0]=3 1327 B9R1.15 CNC1=C(C)C=CC=C1 D46860 [0,2,0,0,0,0|1,0,0]=3 1328 B9R1.15 CNC1=C(C)C=CN=C1 D67183 [0,2,0,0,0,0|2,0,0]=4 1329 B9R1.15 CNC1=C(Cl)C=CC=C1 C46094 [0,2,0,0,0,0|1,0,0]=3 1330 B9R1.15 CNC1=C(Cl)C=CC=N1 C42995 [0,2,0,0,0,0|2,0,0]=4 1331 B9R1.15 CNC1=C(F)C=CC=C1 M39414 [0,2,0,0,0,0|1,0,0]=3 1332 B9R1.15 CNC1=C(N)C=CC=C1 M43618 [0,2,0,0,0,0|1,0,0]=3 1333 B9R1.15 CNC1=C(N)C=CC=C1 M68814 [0,2,0,0,0,0|1,0,0]=3 1334 B9R1.15 CNC1=C(N)C=CN=C1 M62812 [0,2,0,0,0,0|2,0,0]=4 1335 B9R1.15 CNC1=C(O)C=CC=C1 M64657 [0,2,0,0,0,0|0,0,0]=2 1336 B9R1.15 CNC1=CC=CN=C1Cl C42994 [0,2,0,0,0,0|2,0,0]=4 1337 B9R1.15 CNC1=CC=CN=C1N M62813 [0,2,0,0,0,0|2,0,0]=4 1338 B9R1.15 CNC1=NC=CC=C1N M43341 [0,2,0,0,0,0|2,0,0]=4 1339 B9R1.15 COC1=C(Br)C=CC=C1 B67901 [0,2,0,0,0,0|0,0,0]=2 1340 B9R1.15 COC1=C(Br)C=CC=N1 B12855 [0,2,0,0,0,0|1,0,0]=3 1341 B9R1.15 COC1=C(Br)C=CN=C1 B61080 [0,2,0,0,0,0|1,0,0]=3 1342 B9R1.15 COC1=C(Br)C=NC=C1 B9421 [0,2,0,0,0,0|1,0,0]=3 1343 B9R1.15 COC1=C(Br)C=NC=N1 B40915 [0,2,0,0,0,0|2,0,0]=4 1344 B9R1.15 COC1=C(Cl)C=CC=N1 C42900 [0,2,0,0,0,0|1,0,0]=3 1345 B9R1.15 COC1=C(Cl)C=NC=C1 C42901 [0,2,0,0,0,0|1,0,0]=3 1346 B9R1.15 COC1=C(Cl)C=NC=N1 C37084 [0,2,0,0,0,0|2,0,0]=4 1347 B9R1.15 COC1=C(F)C=CC=N1 F42926 [0,2,0,0,0,0|1,0,0]=3 1348 B9R1.15 COC1=C(F)C=NC=N1 F61763 [0,2,0,0,0,0|2,0,0]=4 1349 B9R1.15 COC1=C(I)C=CC=C1 K68160 [0,2,0,0,0,0|0,0,0]=2 1350 B9R1.15 COC1=C(I)C=CC=N1 K42933 [0,2,0,0,0,0|1,0,0]=3 1351 B9R1.15 COC1=C(I)C=NC=C1 K42934 [0,2,0,0,0,0|1,0,0]=3 1352 B9R1.15 COC1=C(I)C=NC=N1 K40946 [0,2,0,0,0,0|2,0,0]=4 1353 B9R1.15 COC1=C(N)C=NC=C1 A43191 [0,2,0,0,0,0|1,0,0]=3 1354 B9R1.15 COC1=C(N)N=CC=C1 A69248 [0,2,0,0,0,0|1,0,0]=3 1355 B9R1.15 COC1=C(N)N=CN=C1 M24946 [0,2,0,0,0,0|2,0,0]=4 1356 B9R1.15 COC1=C([Mg+])C=CC=C1 M31742 [0,2,0,0,0,0|0,0,0]=2 1357 B9R1.15 COC1=CC=CN=C1Br B4536 [0,2,0,0,0,0|1,0,0]=3 1358 B9R1.15 COC1=CC=CN=C1Cl C24085 [0,2,0,0,0,0|1,0,0]=3 1359 B9R1.15 COC1=CC=CN=C1F F42924 [0,2,0,0,0,0|1,0,0]=3 1360 B9R1.15 COC1=CC=CN=C1I K62151 [0,2,0,0,0,0|1,0,0]=3 1361 B9R1.15 COC1=CN=CN=C1Cl C24945 [0,2,0,0,0,0|2,0,0]=4 1362 B9R1.15 COC1=CNC=NC1=O M41033 [0,2,0,0,0,0|2,0,0]=4 1363 B9R1.15 COC1=NC=CC=C1C M46378 [0,2,0,0,0,0|1,0,0]=3 1364 B9R1.15 COC1=NC=CC=C1N A12743 [0,2,0,0,0,0|1,0,0]=3 1365 B9R1.15 COC1=NC=CN=C1Br B40912 [0,2,0,0,0,0|2,0,0]=4 1366 B9R1.15 COC1=NC=CN=C1C M39278 [0,2,0,0,0,0|2,0,0]=4 1367 B9R1.15 COC1=NC=CN=C1Cl C1053 [0,2,0,0,0,0|2,0,0]=4 1368 B9R1.15 COC1=NC=CN=C1I I3006 [0,2,0,0,0,0|2,0,0]=4 1369 B9R1.15 COC1=NC=CN=C1N M32096 [0,2,0,0,0,0|2,0,0]=4 1370 B9R1.15 CSC1=C(F)N=CC=C1 F42849 [0,2,0,0,0,0|1,1,0]=4 1371 B9R1.15 CSC1=C([Mg+])C=CC=C1 M31770 [0,2,0,0,0,0|0,1,0]=3 1372 B9R1.15 ClCC1=C(Br)C=CC=N1 B42529 [0,2,0,0,0,0|2,0,0]=4 1373 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42563 [0,2,0,0,0,0|2,0,0]=4 1374 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42564 [0,2,0,0,0,0|2,0,0]=4 1375 B9R1.15 ClCC1=CC=CN=C1Cl C7688 [0,2,0,0,0,0|2,0,0]=4 1376 B9R1.15 FC1=C(C[Mg+])C=CC=C1 F6778 [0,2,0,0,0,0|1,0,0]=3 1377 B9R1.15 FC1=CC=CN=C1CBr B19661 [0,2,0,0,0,0|2,0,0]=4 1378 B9R1.15 FC1=CC=CN=C1CBr B7783 [0,2,0,0,0,0|2,0,0]=4 1379 B9R1.15 FC1=CC=CN=C1CCl C13988 [0,2,0,0,0,0|2,0,0]=4 1380 B9R1.15 N#CC1=C(Br)C=CC=C1 B67862 [0,2,0,0,0,0|1,0,0]=3 1381 B9R1.15 N#CC1=C(Br)C=CC=N1 B14099 [0,2,0,0,0,0|2,0,0]=4 1382 B9R1.15 N#CC1=C(Br)C=NC=C1 B19387 [0,2,0,0,0,0|2,0,0]=4 1383 B9R1.15 N#CC1=C(Cl)C=CC=N1 C14306 [0,2,0,0,0,0|2,0,0]=4 1384 B9R1.15 N#CC1=C(Cl)C=CN=C1 C41826 [0,2,0,0,0,0|2,0,0]=4 1385 B9R1.15 N#CC1=C(Cl)C=NC=C1 C24886 [0,2,0,0,0,0|2,0,0]=4 1386 B9R1.15 N#CC1=C(F)C=CC=C1 F68598 [0,2,0,0,0,0|1,0,0]=3 1387 B9R1.15 N#CC1=C(F)C=CC=N1 C10406 [0,2,0,0,0,0|2,0,0]=4 1388 B9R1.15 N#CC1=C(F)C=NC=C1 F16722 [0,2,0,0,0,0|2,0,0]=4 1389 B9R1.15 N#CC1=C(I)C=CC=C1 K44441 [0,2,0,0,0,0|1,0,0]=3 1390 B9R1.15 N#CC1=C(N)C=CC=C1 A68606 [0,2,0,0,0,0|1,0,0]=3 1391 B9R1.15 N#CC1=C(N)C=NC=C1 A42467 [0,2,0,0,0,0|2,0,0]=4 1392 B9R1.15 N#CC1=C(N)N=CC=C1 A67490 [0,2,0,0,0,0|2,0,0]=4 1393 B9R1.15 N#CC1=C(O)C=CC=C1 H68602 [0,2,0,0,0,0|0,0,0]=2 1394 B9R1.15 N#CC1=C(O)C=CC=N1 H26595 [0,2,0,0,0,0|1,0,0]=3 1395 B9R1.15 N#CC1=CC=CN=C1Br B37950 [0,2,0,0,0,0|2,0,0]=4 1396 B9R1.15 N#CC1=CC=CN=C1Cl C1772 [0,2,0,0,0,0|2,0,0]=4 1397 B9R1.15 N#CC1=CC=CN=C1F F41834 [0,2,0,0,0,0|2,0,0]=4 1398 B9R1.15 N#CC1=CC=CNC1=O H1679 [0,2,0,0,0,0|1,0,1]=4 1399 B9R1.15 N#CC1=CN=CN=C1O H23828 [0,2,0,0,0,0|2,0,0]=4 1400 B9R1.15 N#CC1=NC=CC=C1N A0534 [0,2,0,0,0,0|2,0,0]=4 1401 B9R1.15 NC1=C(C=O)C=CC=C1 A32220 [0,2,0,0,0,0|0,0,1]=3 1402 B9R1.15 NC1=C(C=O)C=CC=N1 A25218 [0,2,0,0,0,0|1,0,1]=4 1403 B9R1.15 NC1=C(C=O)C=CN=C1 A12878 [0,2,0,0,0,0|1,0,1]=4 1404 B9R1.15 NC1=C(C=O)C=NC=C1 A9624 [0,2,0,0,0,0|1,0,1]=4 1405 B9R1.15 NC1=C(CO)C=CC=C1 A7795 [0,2,0,0,0,0|0,0,0]=2 1406 B9R1.15 NC1=C(CO)C=CC=N1 A12467 [0,2,0,0,0,0|1,0,0]=3 1407 B9R1.15 NC1=CC=CN=C1CO A24069 [0,2,0,0,0,0|1,0,0]=3 1408 B9R1.15 NCC1=C(Br)C=CC=C1 B36643 [0,2,0,0,0,0|1,0,0]=3 1409 B9R1.15 NCC1=C(Br)C=CN=C1 B63849 [0,2,0,0,0,0|2,0,0]=4 1410 B9R1.15 NCC1=C(Br)C=NC=C1 B36920 [0,2,0,0,0,0|2,0,0]=4 1411 B9R1.15 NCC1=C(Cl)C=CC=C1 C46097 [0,2,0,0,0,0|1,0,0]=3 1412 B9R1.15 NCC1=C(Cl)C=CC=C1 C46104 [0,2,0,0,0,0|1,0,0]=3 1413 B9R1.15 NCC1=C(Cl)C=CC=N1 A14307 [0,2,0,0,0,0|2,0,0]=4 1414 B9R1.15 NCC1=C(Cl)C=CC=N1 C29809 [0,2,0,0,0,0|2,0,0]=4 1415 B9R1.15 NCC1=C(F)C=CC=C1 F26320 [0,2,0,0,0,0|1,0,0]=3 1416 B9R1.15 NCC1=C(F)C=CC=N1 A12648 [0,2,0,0,0,0|2,0,0]=4 1417 B9R1.15 NCC1=C(F)C=CC=N1 A1712 [0,2,0,0,0,0|2,0,0]=4 1418 B9R1.15 NCC1=C(F)C=CC=N1 F61824 [0,2,0,0,0,0|2,0,0]=4 1419 B9R1.15 NCC1=C(F)C=NC=C1 F9408 [0,2,0,0,0,0|2,0,0]=4 1420 B9R1.15 NCC1=C(I)C=CC=C1 I36799 [0,2,0,0,0,0|1,0,0]=3 1421 B9R1.15 NCC1=C(O)C=CC=C1 A38718 [0,2,0,0,0,0|0,0,0]=2 1422 B9R1.15 NCC1=C(O)C=CC=C1 A46574 [0,2,0,0,0,0|0,0,0]=2 1423 B9R1.15 NCC1=C(O)C=CC=N1 A43199 [0,2,0,0,0,0|1,0,0]=3 1424 B9R1.15 NCC1=C(O)C=NC=C1 A43200 [0,2,0,0,0,0|1,0,0]=3 1425 B9R1.15 NCC1=CC=CN=C1Cl A10464 [0,2,0,0,0,0|2,0,0]=4 1426 B9R1.15 NCC1=CC=CN=C1F F43528 [0,2,0,0,0,0|2,0,0]=4 1427 B9R1.15 NNC1=C(Br)C=CC=C1 B39273 [0,2,0,0,0,0|1,0,0]=3 1428 B9R1.15 NNC1=C(Br)C=NC=C1 B61571 [0,2,0,0,0,0|2,0,0]=4 1429 B9R1.15 NNC1=C(Cl)C=CC=C1 C39274 [0,2,0,0,0,0|1,0,0]=3 1430 B9R1.15 NNC1=C(Cl)C=CC=N1 C5118 [0,2,0,0,0,0|2,0,0]=4 1431 B9R1.15 NNC1=C(F)C=CC=C1 F39286 [0,2,0,0,0,0|1,0,0]=3 1432 B9R1.15 NNC1=C(F)C=CC=N1 F41082 [0,2,0,0,0,0|2,0,0]=4 1433 B9R1.15 NNC1=C(I)C=CC=C1 K43028 [0,2,0,0,0,0|1,0,0]=3 1434 B9R1.15 O=CC1=C(Br)C=CC=C1 B38420 [0,2,0,0,0,0|0,0,1]=3 1435 B9R1.15 O=CC1=C(Br)C=CC=N1 B23547 [0,2,0,0,0,0|1,0,1]=4 1436 B9R1.15 O=CC1=C(Br)C=NC=C1 B5403 [0,2,0,0,0,0|1,0,1]=4 1437 B9R1.15 O=CC1=C(Cl)C=CC=C1 C67575 [0,2,0,0,0,0|0,0,1]=3 1438 B9R1.15 O=CC1=C(Cl)C=CC=N1 C42298 [0,2,0,0,0,0|1,0,1]=4 1439 B9R1.15 O=CC1=C(Cl)C=CN=C1 C4985 [0,2,0,0,0,0|1,0,1]=4 1440 B9R1.15 O=CC1=C(Cl)C=NC=C1 C42297 [0,2,0,0,0,0|1,0,1]=4 1441 B9R1.15 O=CC1=C(F)C=CC=C1 F68099 [0,2,0,0,0,0|0,0,1]=3 1442 B9R1.15 O=CC1=C(F)C=CC=N1 F12613 [0,2,0,0,0,0|1,0,1]=4 1443 B9R1.15 O=CC1=C(F)C=NC=C1 F12612 [0,2,0,0,0,0|1,0,1]=4 1444 B9R1.15 O=CC1=C(I)C=CC=C1 I0665 [0,2,0,0,0,0|0,0,1]=3 1445 B9R1.15 O=CC1=C(O)C=NC=C1 H67691 [0,2,0,0,0,0|1,0,0]=3 1446 B9R1.15 O=CC1=CC=CN=C1Br B67403 [0,2,0,0,0,0|1,0,1]=4 1447 B9R1.15 O=CC1=CC=CN=C1Cl C3459 [0,2,0,0,0,0|1,0,1]=4 1448 B9R1.15 O=CC1=CC=CN=C1F F2386 [0,2,0,0,0,0|1,0,1]=4 1449 B9R1.15 O=CC1=CC=CNC1=O X42600 [0,2,0,0,0,0|1,0,1]=4 1450 B9R1.15 O=CC1=NC=CC=C1O H14795 [0,2,0,0,0,0|1,0,0]=3 1451 B9R1.15 OCC1=C(Br)C=CC=C1 B39402 [0,2,0,0,0,0|0,0,0]=2 1452 B9R1.15 OCC1=C(Br)C=CC=N1 B42889 [0,2,0,0,0,0|1,0,0]=3 1453 B9R1.15 OCC1=C(Br)C=NC=C1 B9966 [0,2,0,0,0,0|1,0,0]=3 1454 B9R1.15 OCC1=C(Cl)C=CC=C1 C68885 [0,2,0,0,0,0|0,0,0]=2 1455 B9R1.15 OCC1=C(Cl)C=CC=N1 C42910 [0,2,0,0,0,0|1,0,0]=3 1456 B9R1.15 OCC1=C(Cl)C=CN=C1 C42911 [0,2,0,0,0,0|1,0,0]=3 1457 B9R1.15 OCC1=C(Cl)C=CN=C1 C42915 [0,2,0,0,0,0|1,0,0]=3 1458 B9R1.15 OCC1=C(F)C=CC=C1 F39407 [0,2,0,0,0,0|0,0,0]=2 1459 B9R1.15 OCC1=C(F)C=CC=N1 F1706 [0,2,0,0,0,0|1,0,0]=3 1460 B9R1.15 OCC1=C(F)C=CN=C1 F30083 [0,2,0,0,0,0|1,0,0]=3 1461 B9R1.15 OCC1=C(F)C=NC=C1 F10404 [0,2,0,0,0,0|1,0,0]=3 1462 B9R1.15 OCC1=C(I)C=CC=C1 K45967 [0,2,0,0,0,0|0,0,0]=2 1463 B9R1.15 OCC1=C(O)C=CC=N1 H60848 [0,2,0,0,0,0|1,0,0]=3 1464 B9R1.15 OCC1=CC=CN=C1Br B69414 [0,2,0,0,0,0|1,0,0]=3 1465 B9R1.15 OCC1=CC=CN=C1Cl C0580 [0,2,0,0,0,0|1,0,0]=3 1466 B9R1.15 OCC1=CC=CN=C1F F42930 [0,2,0,0,0,0|1,0,0]=3 1467 B9R1.15 OCC1=NC=CN=C1Cl C1612 [0,2,0,0,0,0|2,0,0]=4 1468 B9R1.69 BrC1=CC(Br)=C(I)C=C1 D38226 [0,2,0,0,0,0|1,0,0]=3 1469 B9R1.69 BrC1=CC(I)=C(Br)C=C1 D32266 [0,2,0,0,0,0|1,0,0]=3 1470 B9R1.69 BrC1=CC(I)=C(Br)C=N1 D61974 [0,2,0,0,0,0|2,0,0]=4 1471 B9R1.69 CC1=C(Br)C=C(Br)C=C1 D45155 [0,2,0,0,0,0|1,0,0]=3 1472 B9R1.69 CC1=C(Br)C=C(Br)C=N1 D15335 [0,2,0,0,0,0|2,0,0]=4 1473 B9R1.69 CC1=C(Br)C=C(Cl)N=C1 B9888 [0,2,0,0,0,0|2,0,0]=4 1474 B9R1.69 CC1=C(Br)C=C(F)C=C1 B68836 [0,2,0,0,0,0|1,0,0]=3 1475 B9R1.69 CC1=C(Br)C=C(I)C=C1 B45176 [0,2,0,0,0,0|1,0,0]=3 1476 B9R1.69 CC1=C(Br)C=C(N)C=C1 B39411 [0,2,0,0,0,0|1,0,0]=3 1477 B9R1.69 CC1=C(Br)C=C(N)C=N1 B0530 [0,2,0,0,0,0|2,0,0]=4 1478 B9R1.69 CC1=C(Br)C=C(N)N=C1 B16154 [0,2,0,0,0,0|2,0,0]=4 1479 B9R1.69 CC1=C(Br)C=C(O)C=C1 B45948 [0,2,0,0,0,0|0,0,0]=2 1480 B9R1.69 CC1=C(Br)C=C(O)C=N1 B22011 [0,2,0,0,0,0|1,0,0]=3 1481 B9R1.69 CC1=C(Br)C=CC(Br)=C1 D39368 [0,2,0,0,0,0|1,0,0]=3 1482 B9R1.69 CC1=C(Br)C=CC(Br)=N1 D23496 [0,2,0,0,0,0|2,0,0]=4 1483 B9R1.69 CC1=C(Br)C=CC(Cl)=C1 B9485 [0,2,0,0,0,0|1,0,0]=3 1484 B9R1.69 CC1=C(Br)C=CC(Cl)=N1 B18652 [0,2,0,0,0,0|2,0,0]=4 1485 B9R1.69 CC1=C(Br)C=CC(F)=C1 B45168 [0,2,0,0,0,0|1,0,0]=3 1486 B9R1.69 CC1=C(Br)C=CC(F)=N1 B42551 [0,2,0,0,0,0|2,0,0]=4 1487 B9R1.69 CC1=C(Br)C=CC(I)=C1 B45173 [0,2,0,0,0,0|1,0,0]=3 1488 B9R1.69 CC1=C(Br)C=CC(N)=C1 B61976 [0,2,0,0,0,0|1,0,0]=3 1489 B9R1.69 CC1=C(Br)C=CC(N)=C1 B67860 [0,2,0,0,0,0|1,0,0]=3 1490 B9R1.69 CC1=C(Br)C=CC(N)=N1 B5097 [0,2,0,0,0,0|2,0,0]=4 1491 B9R1.69 CC1=C(Br)C=CC(O)=C1 B39404 [0,2,0,0,0,0|0,0,0]=2 1492 B9R1.69 CC1=C(Br)C=CC(O)=N1 B42887 [0,2,0,0,0,0|1,0,0]=3 1493 B9R1.69 CC1=C(Br)C=NC(Cl)=C1 B25363 [0,2,0,0,0,0|2,0,0]=4 1494 B9R1.69 CC1=C(Br)C=NC(F)=C1 B5184 [0,2,0,0,0,0|2,0,0]=4 1495 B9R1.69 CC1=C(Br)C=NC(N)=C1 A5096 [0,2,0,0,0,0|2,0,0]=4 1496 B9R1.69 CC1=C(Br)C=NC(O)=C1 B21661 [0,2,0,0,0,0|1,0,0]=3 1497 B9R1.69 CC1=C(C)C=C(F)C=C1 F49166 [0,2,0,0,0,0|1,0,0]=3 1498 B9R1.69 CC1=C(C)C=C(I)C=C1 K49170 [0,2,0,0,0,0|1,0,0]=3 1499 B9R1.69 CC1=C(C)C=C([Mg+])C=C1 D31727 [0,2,0,0,0,0|1,0,0]=3 1500 B9R1.69 CC1=C(C)N=C(Cl)C=C1 C46102 [0,2,0,0,0,0|2,0,0]=4 1501 B9R1.69 CC1=C(C)N=C(N)C=C1 D24371 [0,2,0,0,0,0|2,0,0]=4 1502 B9R1.69 CC1=C(Cl)C=C(Br)C=C1 B39370 [0,2,0,0,0,0|1,0,0]=3 1503 B9R1.69 CC1=C(Cl)C=C(F)C=C1 C60661 [0,2,0,0,0,0|1,0,0]=3 1504 B9R1.69 CC1=C(Cl)C=C(N)C=C1 C65827 [0,2,0,0,0,0|1,0,0]=3 1505 B9R1.69 CC1=C(Cl)C=C(N)N=C1 C42997 [0,2,0,0,0,0|2,0,0]=4 1506 B9R1.69 CC1=C(Cl)C=C(O)C=C1 C45955 [0,2,0,0,0,0|0,0,0]=2 1507 B9R1.69 CC1=C(Cl)C=C(O)C=N1 C42908 [0,2,0,0,0,0|1,0,0]=3 1508 B9R1.69 CC1=C(Cl)C=C([Mg+])C=C1 C31809 [0,2,0,0,0,0|1,0,0]=3 1509 B9R1.69 CC1=C(Cl)C=CC(Br)=C1 B45163 [0,2,0,0,0,0|1,0,0]=3 1510 B9R1.69 CC1=C(Cl)C=CC(Br)=N1 B42536 [0,2,0,0,0,0|2,0,0]=4 1511 B9R1.69 CC1=C(Cl)C=CC(Cl)=N1 D42561 [0,2,0,0,0,0|2,0,0]=4 1512 B9R1.69 CC1=C(Cl)C=CC(I)=C1 C45179 [0,2,0,0,0,0|1,0,0]=3 1513 B9R1.69 CC1=C(Cl)C=CC(N)=C1 C25031 [0,2,0,0,0,0|1,0,0]=3 1514 B9R1.69 CC1=C(Cl)C=CC(N)=N1 C42999 [0,2,0,0,0,0|2,0,0]=4 1515 B9R1.69 CC1=C(Cl)C=CC(O)=N1 C42907 [0,2,0,0,0,0|1,0,0]=3 1516 B9R1.69 CC1=C(Cl)C=CC([Mg+])=C1 C31776 [0,2,0,0,0,0|1,0,0]=3 1517 B9R1.69 CC1=C(Cl)C=NC(N)=C1 A4752 [0,2,0,0,0,0|2,0,0]=4 1518 B9R1.69 CC1=C(Cl)C=NC(O)=C1 C42906 [0,2,0,0,0,0|1,0,0]=3 1519 B9R1.69 CC1=C(F)C=C(Br)C=C1 B68837 [0,2,0,0,0,0|1,0,0]=3 1520 B9R1.69 CC1=C(F)C=C(Cl)C=C1 C68878 [0,2,0,0,0,0|1,0,0]=3 1521 B9R1.69 CC1=C(F)C=C(I)C=C1 F45194 [0,2,0,0,0,0|1,0,0]=3 1522 B9R1.69 CC1=C(F)C=C(N)C=C1 F46113 [0,2,0,0,0,0|1,0,0]=3 1523 B9R1.69 CC1=C(F)C=C(O)C=C1 F45960 [0,2,0,0,0,0|0,0,0]=2 1524 B9R1.69 CC1=C(F)C=C([Mg+])C=C1 F31745 [0,2,0,0,0,0|1,0,0]=3 1525 B9R1.69 CC1=C(F)C=CC(Br)=N1 B4782 [0,2,0,0,0,0|2,0,0]=4 1526 B9R1.69 CC1=C(F)C=CC(Cl)=C1 C45178 [0,2,0,0,0,0|1,0,0]=3 1527 B9R1.69 CC1=C(F)C=CC(Cl)=N1 C26077 [0,2,0,0,0,0|2,0,0]=4 1528 B9R1.69 CC1=C(F)C=CC(F)=C1 D45185 [0,2,0,0,0,0|1,0,0]=3 1529 B9R1.69 CC1=C(F)C=CC(I)=C1 F39375 [0,2,0,0,0,0|1,0,0]=3 1530 B9R1.69 CC1=C(F)C=CC(N)=C1 F39413 [0,2,0,0,0,0|1,0,0]=3 1531 B9R1.69 CC1=C(F)C=CC(N)=N1 A16597 [0,2,0,0,0,0|2,0,0]=4 1532 B9R1.69 CC1=C(F)C=CC(O)=C1 F45963 [0,2,0,0,0,0|0,0,0]=2 1533 B9R1.69 CC1=C(F)C=CC([Mg+])=C1 F31747 [0,2,0,0,0,0|1,0,0]=3 1534 B9R1.69 CC1=C(F)C=NC(N)=C1 A43009 [0,2,0,0,0,0|2,0,0]=4 1535 B9R1.69 CC1=C(I)C=C(Br)C=C1 B37920 [0,2,0,0,0,0|1,0,0]=3 1536 B9R1.69 CC1=C(I)C=C(Cl)C=C1 C38509 [0,2,0,0,0,0|1,0,0]=3 1537 B9R1.69 CC1=C(I)C=C(Cl)N=C1 C42582 [0,2,0,0,0,0|2,0,0]=4 1538 B9R1.69 CC1=C(I)C=C(F)C=C1 F45195 [0,2,0,0,0,0|1,0,0]=3 1539 B9R1.69 CC1=C(I)C=C(F)N=C1 F1115 [0,2,0,0,0,0|2,0,0]=4 1540 B9R1.69 CC1=C(I)C=C(N)C=C1 K46118 [0,2,0,0,0,0|1,0,0]=3 1541 B9R1.69 CC1=C(I)C=C(N)N=C1 I37305 [0,2,0,0,0,0|2,0,0]=4 1542 B9R1.69 CC1=C(I)C=CC(=O)N1 K42938 [0,2,0,0,0,0|1,0,1]=4 1543 B9R1.69 CC1=C(I)C=CC(Br)=C1 B39374 [0,2,0,0,0,0|1,0,0]=3 1544 B9R1.69 CC1=C(I)C=CC(Cl)=C1 C45182 [0,2,0,0,0,0|1,0,0]=3 1545 B9R1.69 CC1=C(I)C=CC(F)=C1 F39376 [0,2,0,0,0,0|1,0,0]=3 1546 B9R1.69 CC1=C(I)C=CC(F)=N1 F42596 [0,2,0,0,0,0|2,0,0]=4 1547 B9R1.69 CC1=C(I)C=CC(N)=N1 K43025 [0,2,0,0,0,0|2,0,0]=4 1548 B9R1.69 CC1=C(I)C=CC(O)=C1 K45969 [0,2,0,0,0,0|0,0,0]=2 1549 B9R1.69 CC1=C(I)C=NC(Cl)=C1 C42585 [0,2,0,0,0,0|2,0,0]=4 1550 B9R1.69 CC1=C(I)C=NC(F)=C1 F42595 [0,2,0,0,0,0|2,0,0]=4 1551 B9R1.69 CC1=C(I)C=NC(N)=C1 K43026 [0,2,0,0,0,0|2,0,0]=4 1552 B9R1.69 CC1=C(N)C=C(Br)C=C1 B39412 [0,2,0,0,0,0|1,0,0]=3 1553 B9R1.69 CC1=C(N)C=C(I)C=C1 K46121 [0,2,0,0,0,0|1,0,0]=3 1554 B9R1.69 CC1=C(N)C=C(O)C=C1 A38014 [0,2,0,0,0,0|0,0,0]=2 1555 B9R1.69 CC1=C(N)C=CC(Br)=N1 A15124 [0,2,0,0,0,0|2,0,0]=4 1556 B9R1.69 CC1=C(N)C=CC(Cl)=N1 A15123 [0,2,0,0,0,0|2,0,0]=4 1557 B9R1.69 CC1=C(N)C=CC(F)=C1 F68357 [0,2,0,0,0,0|1,0,0]=3 1558 B9R1.69 CC1=C(N)C=CC(I)=C1 K46119 [0,2,0,0,0,0|1,0,0]=3 1559 B9R1.69 CC1=C(N)C=CC(O)=C1 A39417 [0,2,0,0,0,0|0,0,0]=2 1560 B9R1.69 CC1=C(N)N=C(Br)C=C1 B26268 [0,2,0,0,0,0|2,0,0]=4 1561 B9R1.69 CC1=C(O)C=C(Br)C=C1 B45951 [0,2,0,0,0,0|0,0,0]=2 1562 B9R1.69 CC1=C(O)C=C(F)C=C1 F45964 [0,2,0,0,0,0|0,0,0]=2 1563 B9R1.69 CC1=C(O)C=C(O)C=C1 M28674 [0,2,0,0,0,0|0,0,0]=2 1564 B9R1.69 CC1=C(O)C=CC(Br)=C1 B45950 [0,2,0,0,0,0|0,0,0]=2 1565 B9R1.69 CC1=C(O)C=CC(Br)=N1 B42888 [0,2,0,0,0,0|1,0,0]=3 1566 B9R1.69 CC1=C(O)C=CC(Cl)=N1 C42909 [0,2,0,0,0,0|1,0,0]=3 1567 B9R1.69 CC1=C(O)C=CC(F)=C1 F45962 [0,2,0,0,0,0|0,0,0]=2 1568 B9R1.69 CC1=C(O)C=CC(I)=C1 K45968 [0,2,0,0,0,0|0,0,0]=2 1569 B9R1.69 CC1=C(O)C=CC(N)=C1 A46374 [0,2,0,0,0,0|0,0,0]=2 1570 B9R1.69 CC1=C(O)C=NC(Cl)=N1 C17952 [0,2,0,0,0,0|2,0,0]=4 1571 B9R1.69 CC1=C(O)N=CC(Br)=N1 B37166 [0,2,0,0,0,0|2,0,0]=4 1572 B9R1.69 CC1=C([Mg+])C=C(F)C=C1 F31748 [0,2,0,0,0,0|1,0,0]=3 1573 B9R1.69 CC1=C([Mg+])C=CC(Cl)=C1 C31775 [0,2,0,0,0,0|1,0,0]=3 1574 B9R1.69 CC1=C([Mg+])C=CC(F)=C1 F31746 [0,2,0,0,0,0|1,0,0]=3 1575 B9R1.69 CC1=CC(Br)=C(Br)C=C1 D45154 [0,2,0,0,0,0|1,0,0]=3 1576 B9R1.69 CC1=CC(Br)=C(C)C=C1 D39511 [0,2,0,0,0,0|1,0,0]=3 1577 B9R1.69 CC1=CC(Br)=C(C)C=N1 B46084 [0,2,0,0,0,0|2,0,0]=4 1578 B9R1.69 CC1=CC(Br)=C(Cl)C=C1 B45156 [0,2,0,0,0,0|1,0,0]=3 1579 B9R1.69 CC1=CC(Br)=C(Cl)C=N1 B17532 [0,2,0,0,0,0|2,0,0]=4 1580 B9R1.69 CC1=CC(Br)=C(Cl)N=C1 B42532 [0,2,0,0,0,0|2,0,0]=4 1581 B9R1.69 CC1=CC(Br)=C(F)C=N1 B32009 [0,2,0,0,0,0|2,0,0]=4 1582 B9R1.69 CC1=CC(Br)=C(F)N=C1 B2994 [0,2,0,0,0,0|2,0,0]=4 1583 B9R1.69 CC1=CC(Br)=C(I)C=C1 B45175 [0,2,0,0,0,0|1,0,0]=3 1584 B9R1.69 CC1=CC(Br)=C(N)N=C1 B21800 [0,2,0,0,0,0|2,0,0]=4 1585 B9R1.69 CC1=CC(Br)=C(O)C=C1 B39403 [0,2,0,0,0,0|0,0,0]=2 1586 B9R1.69 CC1=CC(Br)=C(O)C=N1 B42884 [0,2,0,0,0,0|1,0,0]=3 1587 B9R1.69 CC1=CC(Br)=C(O)N=C1 B21801 [0,2,0,0,0,0|1,0,0]=3 1588 B9R1.69 CC1=CC(Br)=CN=C1Br D1477 [0,2,0,0,0,0|2,0,0]=4 1589 B9R1.69 CC1=CC(Br)=CN=C1C B46085 [0,2,0,0,0,0|2,0,0]=4 1590 B9R1.69 CC1=CC(Br)=CN=C1Cl B22875 [0,2,0,0,0,0|2,0,0]=4 1591 B9R1.69 CC1=CC(Br)=CN=C1F B2992 [0,2,0,0,0,0|2,0,0]=4 1592 B9R1.69 CC1=CC(Br)=CN=C1N B42973 [0,2,0,0,0,0|2,0,0]=4 1593 B9R1.69 CC1=CC(Br)=CNC1=O B42891 [0,2,0,0,0,0|1,0,1]=4 1594 B9R1.69 CC1=CC(Br)=NC=C1Br D3209 [0,2,0,0,0,0|2,0,0]=4 1595 B9R1.69 CC1=CC(Br)=NC=C1F B42548 [0,2,0,0,0,0|2,0,0]=4 1596 B9R1.69 CC1=CC(Br)=NC=C1N B7909 [0,2,0,0,0,0|2,0,0]=4 1597 B9R1.69 CC1=CC(C)=C(Br)C=C1 D39510 [0,2,0,0,0,0|1,0,0]=3 1598 B9R1.69 CC1=CC(C)=C(Br)C=N1 B46086 [0,2,0,0,0,0|2,0,0]=4 1599 B9R1.69 CC1=CC(C)=C([Mg+])C=C1 D31735 [0,2,0,0,0,0|1,0,0]=3 1600 B9R1.69 CC1=CC(Cl)=C(Br)C=C1 B67676 [0,2,0,0,0,0|1,0,0]=3 1601 B9R1.69 CC1=CC(Cl)=C(Br)C=N1 B12057 [0,2,0,0,0,0|2,0,0]=4 1602 B9R1.69 CC1=CC(Cl)=C(I)C=C1 C62467 [0,2,0,0,0,0|1,0,0]=3 1603 B9R1.69 CC1=CC(Cl)=C(N)C=C1 C69100 [0,2,0,0,0,0|1,0,0]=3 1604 B9R1.69 CC1=CC(Cl)=C(N)N=C1 C61779 [0,2,0,0,0,0|2,0,0]=4 1605 B9R1.69 CC1=CC(Cl)=C(O)C=C1 C38476 [0,2,0,0,0,0|0,0,0]=2 1606 B9R1.69 CC1=CC(Cl)=CN=C1Br B8272 [0,2,0,0,0,0|2,0,0]=4 1607 B9R1.69 CC1=CC(Cl)=CN=C1Cl D42560 [0,2,0,0,0,0|2,0,0]=4 1608 B9R1.69 CC1=CC(Cl)=CN=C1N C42998 [0,2,0,0,0,0|2,0,0]=4 1609 B9R1.69 CC1=CC(Cl)=CN=C1O C42905 [0,2,0,0,0,0|1,0,0]=3 1610 B9R1.69 CC1=CC(Cl)=NC=C1F C42574 [0,2,0,0,0,0|2,0,0]=4 1611 B9R1.69 CC1=CC(Cl)=NC=C1N C24814 [0,2,0,0,0,0|2,0,0]=4 1612 B9R1.69 CC1=CC(F)=C(Br)C=C1 B39373 [0,2,0,0,0,0|1,0,0]=3 1613 B9R1.69 CC1=CC(F)=C(C)C=C1 F49165 [0,2,0,0,0,0|1,0,0]=3 1614 B9R1.69 CC1=CC(F)=C(Cl)C=C1 C45177 [0,2,0,0,0,0|1,0,0]=3 1615 B9R1.69 CC1=CC(F)=C(F)C=C1 D45188 [0,2,0,0,0,0|1,0,0]=3 1616 B9R1.69 CC1=CC(F)=C(I)C=C1 F45193 [0,2,0,0,0,0|1,0,0]=3 1617 B9R1.69 CC1=CC(F)=C(N)N=C1 F43015 [0,2,0,0,0,0|2,0,0]=4 1618 B9R1.69 CC1=CC(F)=C(O)C=C1 F45958 [0,2,0,0,0,0|0,0,0]=2 1619 B9R1.69 CC1=CC(F)=CN=C1Br B23405 [0,2,0,0,0,0|2,0,0]=4 1620 B9R1.69 CC1=CC(F)=CN=C1Cl C42569 [0,2,0,0,0,0|2,0,0]=4 1621 B9R1.69 CC1=CC(F)=CN=C1N F43018 [0,2,0,0,0,0|2,0,0]=4 1622 B9R1.69 CC1=CC(F)=NC=C1O F42929 [0,2,0,0,0,0|1,0,0]=3 1623 B9R1.69 CC1=CC(I)=C(Br)C=C1 B38445 [0,2,0,0,0,0|1,0,0]=3 1624 B9R1.69 CC1=CC(I)=C(F)C=C1 F45191 [0,2,0,0,0,0|1,0,0]=3 1625 B9R1.69 CC1=CC(I)=C(F)N=C1 F6510 [0,2,0,0,0,0|2,0,0]=4 1626 B9R1.69 CC1=CC(I)=C(N)C=C1 K46116 [0,2,0,0,0,0|1,0,0]=3 1627 B9R1.69 CC1=CC(I)=C(N)N=C1 I29765 [0,2,0,0,0,0|2,0,0]=4 1628 B9R1.69 CC1=CC(I)=C(O)C=C1 K60967 [0,2,0,0,0,0|0,0,0]=2 1629 B9R1.69 CC1=CC(I)=CN=C1Br B42556 [0,2,0,0,0,0|2,0,0]=4 1630 B9R1.69 CC1=CC(I)=CN=C1Cl C42584 [0,2,0,0,0,0|2,0,0]=4 1631 B9R1.69 CC1=CC(I)=CN=C1N K43024 [0,2,0,0,0,0|2,0,0]=4 1632 B9R1.69 CC1=CC(I)=CN=C1O K42936 [0,2,0,0,0,0|1,0,0]=3 1633 B9R1.69 CC1=CC(N)=C(Br)C=C1 B39410 [0,2,0,0,0,0|1,0,0]=3 1634 B9R1.69 CC1=CC(N)=C(Br)C=N1 A1741 [0,2,0,0,0,0|2,0,0]=4 1635 B9R1.69 CC1=CC(N)=C(Cl)C=C1 C46092 [0,2,0,0,0,0|1,0,0]=3 1636 B9R1.69 CC1=CC(N)=C(Cl)C=N1 C26973 [0,2,0,0,0,0|2,0,0]=4 1637 B9R1.69 CC1=CC(N)=C(F)C=C1 A23738 [0,2,0,0,0,0|1,0,0]=3 1638 B9R1.69 CC1=CC(N)=C(I)C=C1 K46117 [0,2,0,0,0,0|1,0,0]=3 1639 B9R1.69 CC1=CC(N)=C(I)C=N1 K43023 [0,2,0,0,0,0|2,0,0]=4 1640 B9R1.69 CC1=CC(N)=C(N)C=C1 D68596 [0,2,0,0,0,0|1,0,0]=3 1641 B9R1.69 CC1=CC(N)=CN=C1Br A42967 [0,2,0,0,0,0|2,0,0]=4 1642 B9R1.69 CC1=CC(N)=CN=C1C D43613 [0,2,0,0,0,0|2,0,0]=4 1643 B9R1.69 CC1=CC(N)=CN=C1Cl C23404 [0,2,0,0,0,0|2,0,0]=4 1644 B9R1.69 CC1=CC(N)=CN=C1F F43017 [0,2,0,0,0,0|2,0,0]=4 1645 B9R1.69 CC1=CC(O)=C(Br)C=C1 B36626 [0,2,0,0,0,0|0,0,0]=2 1646 B9R1.69 CC1=CC(O)=C(Br)C=N1 B42886 [0,2,0,0,0,0|1,0,0]=3 1647 B9R1.69 CC1=CC(O)=C(F)C=C1 F45959 [0,2,0,0,0,0|0,0,0]=2 1648 B9R1.69 CC1=CC(O)=C(N)C=C1 A68595 [0,2,0,0,0,0|0,0,0]=2 1649 B9R1.69 CC1=CC(O)=CN=C1Br B42893 [0,2,0,0,0,0|1,0,0]=3 1650 B9R1.69 CC1=CC(O)=CN=C1Cl C15197 [0,2,0,0,0,0|1,0,0]=3 1651 B9R1.69 CC1=CC(O)=CN=C1F F62152 [0,2,0,0,0,0|1,0,0]=3 1652 B9R1.69 CC1=CC([Mg+])=C(C)C=C1 D31736 [0,2,0,0,0,0|1,0,0]=3 1653 B9R1.69 CC1=CC=C(Br)C(Br)=N1 D42515 [0,2,0,0,0,0|2,0,0]=4 1654 B9R1.69 CC1=CC=C(C)C(N)=N1 D43611 [0,2,0,0,0,0|2,0,0]=4 1655 B9R1.69 CC1=CC=C(Cl)C(Cl)=N1 D42559 [0,2,0,0,0,0|2,0,0]=4 1656 B9R1.69 CC1=CC=C(Cl)N=C1Cl D24399 [0,2,0,0,0,0|2,0,0]=4 1657 B9R1.69 CC1=CC=C(F)C(Br)=N1 B23352 [0,2,0,0,0,0|2,0,0]=4 1658 B9R1.69 CC1=CC=C(F)C(Cl)=N1 C42573 [0,2,0,0,0,0|2,0,0]=4 1659 B9R1.69 CC1=CC=C(F)N=C1Br B17536 [0,2,0,0,0,0|2,0,0]=4 1660 B9R1.69 CC1=CC=C(N)C(Br)=N1 B37081 [0,2,0,0,0,0|2,0,0]=4 1661 B9R1.69 CC1=CC=C(N)C(C)=N1 D43608 [0,2,0,0,0,0|2,0,0]=4 1662 B9R1.69 CC1=CC=C(N)C(Cl)=N1 A42987 [0,2,0,0,0,0|2,0,0]=4 1663 B9R1.69 CC1=CC=C(N)C(I)=N1 K43022 [0,2,0,0,0,0|2,0,0]=4 1664 B9R1.69 CC1=CC=C(N)N=C1Br B26269 [0,2,0,0,0,0|2,0,0]=4 1665 B9R1.69 CC1=CC=C(N)N=C1Cl C23697 [0,2,0,0,0,0|2,0,0]=4 1666 B9R1.69 CC1=CC=C(N)N=C1N M43333 [0,2,0,0,0,0|2,0,0]=4 1667 B9R1.69 CC1=CC=C(O)C(Br)=N1 B1020 [0,2,0,0,0,0|1,0,0]=3 1668 B9R1.69 CC1=CC=C(O)C(F)=N1 F42928 [0,2,0,0,0,0|1,0,0]=3 1669 B9R1.69 CC1=CC=C(O)C(I)=N1 H37772 [0,2,0,0,0,0|1,0,0]=3 1670 B9R1.69 CC1=CN=C(Br)C(Br)=C1 D42517 [0,2,0,0,0,0|2,0,0]=4 1671 B9R1.69 CC1=CN=C(Br)C(C)=C1 B46080 [0,2,0,0,0,0|2,0,0]=4 1672 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 B42530 [0,2,0,0,0,0|2,0,0]=4 1673 B9R1.69 CC1=CN=C(Br)C(F)=C1 B13540 [0,2,0,0,0,0|2,0,0]=4 1674 B9R1.69 CC1=CN=C(Br)C(N)=C1 A42977 [0,2,0,0,0,0|2,0,0]=4 1675 B9R1.69 CC1=CN=C(Br)C=C1Br D32049 [0,2,0,0,0,0|2,0,0]=4 1676 B9R1.69 CC1=CN=C(Br)C=C1Cl B37311 [0,2,0,0,0,0|2,0,0]=4 1677 B9R1.69 CC1=CN=C(Br)C=C1N B25405 [0,2,0,0,0,0|2,0,0]=4 1678 B9R1.69 CC1=CN=C(C)C(C)=C1 T39433 [0,2,0,0,0,0|2,0,0]=4 1679 B9R1.69 CC1=CN=C(C)C=C1N D22447 [0,2,0,0,0,0|2,0,0]=4 1680 B9R1.69 CC1=CN=C(Cl)C(Cl)=C1 D42558 [0,2,0,0,0,0|2,0,0]=4 1681 B9R1.69 CC1=CN=C(Cl)C(F)=C1 C42572 [0,2,0,0,0,0|2,0,0]=4 1682 B9R1.69 CC1=CN=C(Cl)C(N)=C1 C42993 [0,2,0,0,0,0|2,0,0]=4 1683 B9R1.69 CC1=CN=C(Cl)C(O)=C1 C42904 [0,2,0,0,0,0|1,0,0]=3 1684 B9R1.69 CC1=CN=C(Cl)C=C1Cl D38063 [0,2,0,0,0,0|2,0,0]=4 1685 B9R1.69 CC1=CN=C(Cl)C=C1F C37310 [0,2,0,0,0,0|2,0,0]=4 1686 B9R1.69 CC1=CN=C(Cl)C=C1N C25406 [0,2,0,0,0,0|2,0,0]=4 1687 B9R1.69 CC1=CN=C(N)C(C)=C1 D43610 [0,2,0,0,0,0|2,0,0]=4 1688 B9R1.69 CC1=CN=C(N)C(N)=C1 D43331 [0,2,0,0,0,0|2,0,0]=4 1689 B9R1.69 CC1=CN=C(N)C=C1C D43612 [0,2,0,0,0,0|2,0,0]=4 1690 B9R1.69 CC1=CN=C(O)C=C1N A43204 [0,2,0,0,0,0|1,0,0]=3 1691 B9R1.69 CC1=CNC(=O)C(N)=C1 A43211 [0,2,0,0,0,0|1,0,1]=4 1692 B9R1.69 CC1=NC(C)=C(Br)C=C1 B46082 [0,2,0,0,0,0|2,0,0]=4 1693 B9R1.69 CC1=NC(C)=C(O)C=C1 D67987 [0,2,0,0,0,0|1,0,0]=3 1694 B9R1.69 CC1=NC(C)=C(O)C=N1 D43192 [0,2,0,0,0,0|2,0,0]=4 1695 B9R1.69 CC1=NC(Cl)=C(Br)C=C1 B42526 [0,2,0,0,0,0|2,0,0]=4 1696 B9R1.69 CC1=NC(F)=C(Br)C=C1 B42546 [0,2,0,0,0,0|2,0,0]=4 1697 B9R1.69 CC1=NC(F)=C(I)C=C1 F42594 [0,2,0,0,0,0|2,0,0]=4 1698 B9R1.69 CC1=NC(N)=C(Br)C=C1 B18303 [0,2,0,0,0,0|2,0,0]=4 1699 B9R1.69 CC1=NC(N)=C(I)C=C1 K61473 [0,2,0,0,0,0|2,0,0]=4 1700 B9R1.69 CC1=NC(N)=C(O)C=C1 A43201 [0,2,0,0,0,0|1,0,0]=3 1701 B9R1.69 CC1=NC(O)=C(Br)C=C1 B42882 [0,2,0,0,0,0|1,0,0]=3 1702 B9R1.69 CC1=NC(O)=C(Br)C=N1 B40917 [0,2,0,0,0,0|2,0,0]=4 1703 B9R1.69 CC1=NC(O)=C(F)C=N1 F40940 [0,2,0,0,0,0|2,0,0]=4 1704 B9R1.69 CC1=NC=C(Br)C=C1Cl B8062 [0,2,0,0,0,0|2,0,0]=4 1705 B9R1.69 CC1=NC=C(Br)C=C1F B16887 [0,2,0,0,0,0|2,0,0]=4 1706 B9R1.69 CC1=NC=C(Br)C=C1N A0082 [0,2,0,0,0,0|2,0,0]=4 1707 B9R1.69 CC1=NC=C(Br)C=C1O B42885 [0,2,0,0,0,0|1,0,0]=3 1708 B9R1.69 CC1=NC=C(Cl)C=C1N A1755 [0,2,0,0,0,0|2,0,0]=4 1709 B9R1.69 CN1C=C(Br)C=CC1=O B1570 [0,2,0,0,0,0|1,0,1]=4 1710 B9R1.69 CN1C=C(F)C=CC1=O F42931 [0,2,0,0,0,0|1,0,1]=4 1711 B9R1.69 CN1C=C(I)C=CC1=O I36800 [0,2,0,0,0,0|1,0,1]=4 1712 B9R1.69 CN1C=C(N)C=CC1=O A0224 [0,2,0,0,0,0|1,0,1]=4 1713 B9R1.69 CN1C=C(N)C=CC1=O A7467 [0,2,0,0,0,0|1,0,1]=4 1714 B9R1.69 CN1C=CC(=O)C(O)=C1 H43144 [0,2,0,0,0,0|1,0,0]=3 1715 B9R1.69 CN1C=CC(=O)C=C1Br B42890 [0,2,0,0,0,0|1,0,1]=4 1716 B9R1.69 CN1C=CC(Br)=CC1=O B7728 [0,2,0,0,0,0|1,0,1]=4 1717 B9R1.69 CN1C=CC(I)=CC1=O K42937 [0,2,0,0,0,0|1,0,1]=4 1718 B9R1.69 CN1C=CC(N)=CC1=O A9086 [0,2,0,0,0,0|1,0,1]=4 1719 B9R1.69 CN1C=CC(N)=CC1=O P0053 [0,2,0,0,0,0|1,0,1]=4 1720 B9R1.69 ClC1=C(Br)C=C(Br)C=N1 D4524 [0,2,0,0,0,0|2,0,0]=4 1721 B9R1.69 ClC1=C(Br)C=CC(Br)=C1 D41774 [0,2,0,0,0,0|1,0,0]=3 1722 B9R1.69 ClC1=C(Br)C=CC(I)=C1 B41783 [0,2,0,0,0,0|1,0,0]=3 1723 B9R1.69 ClC1=C(Cl)C=C(Br)C=C1 B67951 [0,2,0,0,0,0|1,0,0]=3 1724 B9R1.69 ClC1=C(Cl)C=C(I)C=C1 D41801 [0,2,0,0,0,0|1,0,0]=3 1725 B9R1.69 ClC1=C(I)C=C(Br)C=C1 B41788 [0,2,0,0,0,0|1,0,0]=3 1726 B9R1.69 ClC1=C(I)C=C(Br)C=N1 B40517 [0,2,0,0,0,0|2,0,0]=4 1727 B9R1.69 ClC1=C(I)C=C(I)C=N1 C40534 [0,2,0,0,0,0|2,0,0]=4 1728 B9R1.69 ClC1=C(I)C=CC(Br)=C1 B39224 [0,2,0,0,0,0|1,0,0]=3 1729 B9R1.69 ClC1=C(I)C=CC(Br)=N1 B67565 [0,2,0,0,0,0|2,0,0]=4 1730 B9R1.69 ClC1=C(I)C=NC(Br)=C1 B61440 [0,2,0,0,0,0|2,0,0]=4 1731 B9R1.69 ClC1=CC(Br)=C(Br)C=C1 D41772 [0,2,0,0,0,0|1,0,0]=3 1732 B9R1.69 ClC1=CC(Br)=C(Br)C=N1 D62935 [0,2,0,0,0,0|2,0,0]=4 1733 B9R1.69 ClC1=CC(Br)=C(Cl)C=C1 B41778 [0,2,0,0,0,0|1,0,0]=3 1734 B9R1.69 ClC1=CC(Br)=C(Cl)C=N1 B37675 [0,2,0,0,0,0|2,0,0]=4 1735 B9R1.69 ClC1=CC(Br)=C(Cl)N=C1 B40505 [0,2,0,0,0,0|2,0,0]=4 1736 B9R1.69 ClC1=CC(Br)=C(I)C=C1 B41787 [0,2,0,0,0,0|1,0,0]=3 1737 B9R1.69 ClC1=CC(Br)=CN=C1Br D3046 [0,2,0,0,0,0|2,0,0]=4 1738 B9R1.69 ClC1=CC(Br)=CN=C1Cl B4728 [0,2,0,0,0,0|2,0,0]=4 1739 B9R1.69 ClC1=CC(Br)=NC=C1Br D40498 [0,2,0,0,0,0|2,0,0]=4 1740 B9R1.69 ClC1=CC(Cl)=C(Br)C=C1 B17312 [0,2,0,0,0,0|1,0,0]=3 1741 B9R1.69 ClC1=CC(Cl)=C(Br)C=N1 B40506 [0,2,0,0,0,0|2,0,0]=4 1742 B9R1.69 ClC1=CC(Cl)=C(I)C=N1 D32226 [0,2,0,0,0,0|2,0,0]=4 1743 B9R1.69 ClC1=CC(I)=C(Br)C=C1 B41786 [0,2,0,0,0,0|1,0,0]=3 1744 B9R1.69 ClC1=CC(I)=C(Cl)C=C1 D37967 [0,2,0,0,0,0|1,0,0]=3 1745 B9R1.69 ClC1=CC(I)=C(Cl)C=N1 D40528 [0,2,0,0,0,0|2,0,0]=4 1746 B9R1.69 ClC1=CC(I)=C(Cl)N=C1 D40527 [0,2,0,0,0,0|2,0,0]=4 1747 B9R1.69 ClC1=CC(I)=CN=C1Cl D15369 [0,2,0,0,0,0|2,0,0]=4 1748 B9R1.69 ClC1=CC=C(Br)C(Br)=N1 D40497 [0,2,0,0,0,0|2,0,0]=4 1749 B9R1.69 ClC1=CC=C(Cl)C(Cl)=N1 T40529 [0,2,0,0,0,0|2,0,0]=4 1750 B9R1.69 ClC1=CN=C(Br)C(Br)=C1 D5204 [0,2,0,0,0,0|2,0,0]=4 1751 B9R1.69 ClC1=CN=C(Br)C(Cl)=C1 B4706 [0,2,0,0,0,0|2,0,0]=4 1752 B9R1.69 ClC1=CN=C(Br)C=C1Cl B40503 [0,2,0,0,0,0|2,0,0]=4 1753 B9R1.69 ClC1=CN=C(Cl)C(Cl)=C1 T67406 [0,2,0,0,0,0|2,0,0]=4 1754 B9R1.69 ClC1=CN=C(Cl)C=C1Cl T24276 [0,2,0,0,0,0|2,0,0]=4 1755 B9R1.69 ClC1=CN=C(I)C(Br)=C1 B40516 [0,2,0,0,0,0|2,0,0]=4 1756 B9R1.69 ClC1=NC(Cl)=C(Br)C=C1 D38502 [0,2,0,0,0,0|2,0,0]=4 1757 B9R1.69 ClC1=NC(Cl)=C(I)C=C1 D4526 [0,2,0,0,0,0|2,0,0]=4 1758 B9R1.69 ClC1=NC=C(I)C=C1Br B40515 [0,2,0,0,0,0|2,0,0]=4 1759 B9R1.69 FC1=C(Br)C=C(Br)C=C1 D39220 [0,2,0,0,0,0|1,0,0]=3 1760 B9R1.69 FC1=C(Br)C=C(Br)C=N1 D38481 [0,2,0,0,0,0|2,0,0]=4 1761 B9R1.69 FC1=C(Br)C=C(Cl)C=C1 B41780 [0,2,0,0,0,0|1,0,0]=3 1762 B9R1.69 FC1=C(Br)C=C(Cl)C=N1 B40511 [0,2,0,0,0,0|2,0,0]=4 1763 B9R1.69 FC1=C(Br)C=C(Cl)N=C1 P26079 [0,2,0,0,0,0|2,0,0]=4 1764 B9R1.69 FC1=C(Br)C=C(I)C=C1 B41794 [0,2,0,0,0,0|1,0,0]=3 1765 B9R1.69 FC1=C(Br)C=CC(Br)=C1 D39219 [0,2,0,0,0,0|1,0,0]=3 1766 B9R1.69 FC1=C(Br)C=CC(Cl)=C1 B39222 [0,2,0,0,0,0|1,0,0]=3 1767 B9R1.69 FC1=C(Br)C=CC(Cl)=N1 B40512 [0,2,0,0,0,0|2,0,0]=4 1768 B9R1.69 FC1=C(Br)C=CC(I)=C1 B41792 [0,2,0,0,0,0|1,0,0]=3 1769 B9R1.69 FC1=C(Br)C=NC(Cl)=C1 B40514 [0,2,0,0,0,0|2,0,0]=4 1770 B9R1.69 FC1=C(Cl)C=C(Cl)C=C1 D41799 [0,2,0,0,0,0|1,0,0]=3 1771 B9R1.69 FC1=C(Cl)C=C(Cl)C=N1 F40524 [0,2,0,0,0,0|2,0,0]=4 1772 B9R1.69 FC1=C(Cl)C=C(I)C=C1 C41810 [0,2,0,0,0,0|1,0,0]=3 1773 B9R1.69 FC1=C(Cl)C=C([Mg+])C=C1 C31777 [0,2,0,0,0,0|1,0,0]=3 1774 B9R1.69 FC1=C(Cl)C=CC(Br)=C1 B68762 [0,2,0,0,0,0|1,0,0]=3 1775 B9R1.69 FC1=C(Cl)C=CC(Cl)=C1 D41796 [0,2,0,0,0,0|1,0,0]=3 1776 B9R1.69 FC1=C(Cl)C=CC(I)=C1 C41807 [0,2,0,0,0,0|1,0,0]=3 1777 B9R1.69 FC1=C(Cl)C=CC([Mg+])=C1 C31779 [0,2,0,0,0,0|1,0,0]=3 1778 B9R1.69 FC1=C(F)C=C(Cl)C=C1 C38572 [0,2,0,0,0,0|1,0,0]=3 1779 B9R1.69 FC1=C(F)C=C(I)C=C1 D41813 [0,2,0,0,0,0|1,0,0]=3 1780 B9R1.69 FC1=C(F)C=C([Mg+])C=C1 D31753 [0,2,0,0,0,0|1,0,0]=3 1781 B9R1.69 FC1=C(F)N=C(Br)C=C1 B18110 [0,2,0,0,0,0|2,0,0]=4 1782 B9R1.69 FC1=C(I)C=C(Br)C=C1 B39225 [0,2,0,0,0,0|1,0,0]=3 1783 B9R1.69 FC1=C(I)C=C(Br)N=C1 B13657 [0,2,0,0,0,0|2,0,0]=4 1784 B9R1.69 FC1=C(I)C=C(Cl)C=N1 C40533 [0,2,0,0,0,0|2,0,0]=4 1785 B9R1.69 FC1=C(I)C=C(Cl)N=C1 C26072 [0,2,0,0,0,0|2,0,0]=4 1786 B9R1.69 FC1=C(I)C=CC(Br)=C1 B39226 [0,2,0,0,0,0|1,0,0]=3 1787 B9R1.69 FC1=C(I)C=CC(Cl)=C1 C41806 [0,2,0,0,0,0|1,0,0]=3 1788 B9R1.69 FC1=C(I)C=CC(Cl)=N1 C61937 [0,2,0,0,0,0|2,0,0]=4 1789 B9R1.69 FC1=C(I)C=CC(I)=C1 F3631 [0,2,0,0,0,0|1,0,0]=3 1790 B9R1.69 FC1=C(S)C=CC(Br)=C1 B62019 [0,2,0,0,0,0|0,1,0]=3 1791 B9R1.69 FC1=CC(Br)=C(Cl)C=C1 B39223 [0,2,0,0,0,0|1,0,0]=3 1792 B9R1.69 FC1=CC(Br)=C(Cl)C=N1 B32075 [0,2,0,0,0,0|2,0,0]=4 1793 B9R1.69 FC1=CC(Br)=C(Cl)N=C1 B40509 [0,2,0,0,0,0|2,0,0]=4 1794 B9R1.69 FC1=CC(Br)=C(F)N=C1 B17516 [0,2,0,0,0,0|2,0,0]=4 1795 B9R1.69 FC1=CC(Br)=C(I)C=C1 B41790 [0,2,0,0,0,0|1,0,0]=3 1796 B9R1.69 FC1=CC(Br)=CN=C1Br D5207 [0,2,0,0,0,0|2,0,0]=4 1797 B9R1.69 FC1=CC(Br)=CN=C1Cl B2299 [0,2,0,0,0,0|2,0,0]=4 1798 B9R1.69 FC1=CC(Br)=CN=C1F B5203 [0,2,0,0,0,0|2,0,0]=4 1799 B9R1.69 FC1=CC(Cl)=C(Br)C=C1 C41779 [0,2,0,0,0,0|1,0,0]=3 1800 B9R1.69 FC1=CC(Cl)=C(Cl)C=C1 D41797 [0,2,0,0,0,0|1,0,0]=3 1801 B9R1.69 FC1=CC(Cl)=C(F)C=C1 C41805 [0,2,0,0,0,0|1,0,0]=3 1802 B9R1.69 FC1=CC(Cl)=C(F)C=N1 C40532 [0,2,0,0,0,0|2,0,0]=4 1803 B9R1.69 FC1=CC(Cl)=C(F)N=C1 C32247 [0,2,0,0,0,0|2,0,0]=4 1804 B9R1.69 FC1=CC(Cl)=C(I)C=C1 C41811 [0,2,0,0,0,0|1,0,0]=3 1805 B9R1.69 FC1=CC(Cl)=CN=C1Br B5202 [0,2,0,0,0,0|2,0,0]=4 1806 B9R1.69 FC1=CC(Cl)=CN=C1Cl D5206 [0,2,0,0,0,0|2,0,0]=4 1807 B9R1.69 FC1=CC(Cl)=CN=C1F C4649 [0,2,0,0,0,0|2,0,0]=4 1808 B9R1.69 FC1=CC(F)=C(Br)C=C1 B68309 [0,2,0,0,0,0|1,0,0]=3 1809 B9R1.69 FC1=CC(F)=C(Cl)C=C1 C39228 [0,2,0,0,0,0|1,0,0]=3 1810 B9R1.69 FC1=CC(F)=C(I)C=C1 D41812 [0,2,0,0,0,0|1,0,0]=3 1811 B9R1.69 FC1=CC(F)=C(S)C=C1 D42064 [0,2,0,0,0,0|0,1,0]=3 1812 B9R1.69 FC1=CC(I)=C(Br)C=C1 B37865 [0,2,0,0,0,0|1,0,0]=3 1813 B9R1.69 FC1=CC(I)=C(Cl)C=N1 C24772 [0,2,0,0,0,0|2,0,0]=4 1814 B9R1.69 FC1=CC(I)=C(F)C=C1 D41815 [0,2,0,0,0,0|1,0,0]=3 1815 B9R1.69 FC1=CC(I)=C(F)C=N1 D40537 [0,2,0,0,0,0|2,0,0]=4 1816 B9R1.69 FC1=CC(I)=CN=C1F D40535 [0,2,0,0,0,0|2,0,0]=4 1817 B9R1.69 FC1=CC=C(Br)N=C1Br D40500 [0,2,0,0,0,0|2,0,0]=4 1818 B9R1.69 FC1=CC=C(Cl)N=C1Cl D40523 [0,2,0,0,0,0|2,0,0]=4 1819 B9R1.69 FC1=CN=C(Br)C(Br)=C1 D40499 [0,2,0,0,0,0|2,0,0]=4 1820 B9R1.69 FC1=CN=C(Br)C(Cl)=C1 B40507 [0,2,0,0,0,0|2,0,0]=4 1821 B9R1.69 FC1=CN=C(Br)C(F)=C1 B3435 [0,2,0,0,0,0|2,0,0]=4 1822 B9R1.69 FC1=CN=C(Cl)C(Cl)=C1 D32190 [0,2,0,0,0,0|2,0,0]=4 1823 B9R1.69 FC1=CN=C(Cl)C=C1Cl D40522 [0,2,0,0,0,0|2,0,0]=4 1824 B9R1.69 FC1=CN=C(F)C(F)=C1 T40539 [0,2,0,0,0,0|2,0,0]=4 1825 B9R1.69 FC1=NC(F)=C(Br)C=C1 B5205 [0,2,0,0,0,0|2,0,0]=4 1826 B9R1.69 FC1=NC(F)=C(I)C=C1 D24901 [0,2,0,0,0,0|2,0,0]=4 1827 B9R1.69 FC1=NC=C(Br)C=C1Cl B27815 [0,2,0,0,0,0|2,0,0]=4 1828 B9R1.69 NC1=C(Br)C=C(Br)C=N1 A67470 [0,2,0,0,0,0|2,0,0]=4 1829 B9R1.69 NC1=C(Br)C=C(Cl)C=C1 B39255 [0,2,0,0,0,0|1,0,0]=3 1830 B9R1.69 NC1=C(Br)C=C(Cl)C=N1 B39169 [0,2,0,0,0,0|2,0,0]=4 1831 B9R1.69 NC1=C(Br)C=C(F)C=C1 B69132 [0,2,0,0,0,0|1,0,0]=3 1832 B9R1.69 NC1=C(Br)C=C(F)C=N1 A40715 [0,2,0,0,0,0|2,0,0]=4 1833 B9R1.69 NC1=C(Br)C=C(I)C=C1 B42553 [0,2,0,0,0,0|1,0,0]=3 1834 B9R1.69 NC1=C(Br)C=C(O)C=C1 A42879 [0,2,0,0,0,0|0,0,0]=2 1835 B9R1.69 NC1=C(Br)C=CC(Cl)=C1 B42522 [0,2,0,0,0,0|1,0,0]=3 1836 B9R1.69 NC1=C(Br)C=CC(Cl)=N1 B62185 [0,2,0,0,0,0|2,0,0]=4 1837 B9R1.69 NC1=C(Br)C=CC(F)=C1 B37345 [0,2,0,0,0,0|1,0,0]=3 1838 B9R1.69 NC1=C(Br)C=CC(F)=N1 B40713 [0,2,0,0,0,0|2,0,0]=4 1839 B9R1.69 NC1=C(Br)C=CC(O)=C1 A42877 [0,2,0,0,0,0|0,0,0]=2 1840 B9R1.69 NC1=C(Br)C=NC(Cl)=C1 A12849 [0,2,0,0,0,0|2,0,0]=4 1841 B9R1.69 NC1=C(Br)C=NC(F)=C1 A10498 [0,2,0,0,0,0|2,0,0]=4 1842 B9R1.69 NC1=C(Cl)C=C(Br)C=C1 B39256 [0,2,0,0,0,0|1,0,0]=3 1843 B9R1.69 NC1=C(Cl)C=C(Cl)C=N1 D40722 [0,2,0,0,0,0|2,0,0]=4 1844 B9R1.69 NC1=C(Cl)C=C(F)C=C1 C60795 [0,2,0,0,0,0|1,0,0]=3 1845 B9R1.69 NC1=C(Cl)C=C(F)C=N1 C40733 [0,2,0,0,0,0|2,0,0]=4 1846 B9R1.69 NC1=C(Cl)C=C(I)C=C1 C61690 [0,2,0,0,0,0|1,0,0]=3 1847 B9R1.69 NC1=C(Cl)C=C(O)C=C1 A42914 [0,2,0,0,0,0|0,0,0]=2 1848 B9R1.69 NC1=C(Cl)C=CC(Br)=C1 B24501 [0,2,0,0,0,0|1,0,0]=3 1849 B9R1.69 NC1=C(Cl)C=CC(Cl)=N1 A22985 [0,2,0,0,0,0|2,0,0]=4 1850 B9R1.69 NC1=C(Cl)C=CC(F)=C1 C39258 [0,2,0,0,0,0|1,0,0]=3 1851 B9R1.69 NC1=C(Cl)C=CC(O)=C1 A42898 [0,2,0,0,0,0|0,0,0]=2 1852 B9R1.69 NC1=C(Cl)N=C(Br)C=C1 B40710 [0,2,0,0,0,0|2,0,0]=4 1853 B9R1.69 NC1=C(F)C=C(Br)C=C1 B67879 [0,2,0,0,0,0|1,0,0]=3 1854 B9R1.69 NC1=C(F)C=C(F)C=C1 D69297 [0,2,0,0,0,0|1,0,0]=3 1855 B9R1.69 NC1=C(F)C=C(F)C=N1 A9006 [0,2,0,0,0,0|2,0,0]=4 1856 B9R1.69 NC1=C(F)C=C(I)C=C1 F67453 [0,2,0,0,0,0|1,0,0]=3 1857 B9R1.69 NC1=C(F)C=C(O)C=C1 A42922 [0,2,0,0,0,0|0,0,0]=2 1858 B9R1.69 NC1=C(F)C=C(O)C=C1 A43526 [0,2,0,0,0,0|0,0,0]=2 1859 B9R1.69 NC1=C(F)C=C(S)C=C1 A64015 [0,2,0,0,0,0|0,1,0]=3 1860 B9R1.69 NC1=C(F)C=CC(Br)=C1 B39257 [0,2,0,0,0,0|1,0,0]=3 1861 B9R1.69 NC1=C(F)C=CC(Br)=N1 B19236 [0,2,0,0,0,0|2,0,0]=4 1862 B9R1.69 NC1=C(F)C=CC(Cl)=C1 C39259 [0,2,0,0,0,0|1,0,0]=3 1863 B9R1.69 NC1=C(F)C=CC(Cl)=N1 C37118 [0,2,0,0,0,0|2,0,0]=4 1864 B9R1.69 NC1=C(F)C=CC(F)=N1 D40748 [0,2,0,0,0,0|2,0,0]=4 1865 B9R1.69 NC1=C(F)C=CC(O)=C1 A42920 [0,2,0,0,0,0|0,0,0]=2 1866 B9R1.69 NC1=C(F)N=C(Br)C=C1 B61668 [0,2,0,0,0,0|2,0,0]=4 1867 B9R1.69 NC1=C(I)C=C(Br)C=C1 B42554 [0,2,0,0,0,0|1,0,0]=3 1868 B9R1.69 NC1=C(I)C=C(Br)C=N1 B28657 [0,2,0,0,0,0|2,0,0]=4 1869 B9R1.69 NC1=C(I)C=C(Cl)C=C1 C0641 [0,2,0,0,0,0|1,0,0]=3 1870 B9R1.69 NC1=C(I)C=C(Cl)C=N1 A37985 [0,2,0,0,0,0|2,0,0]=4 1871 B9R1.69 NC1=C(I)C=C(F)C=C1 F42592 [0,2,0,0,0,0|1,0,0]=3 1872 B9R1.69 NC1=C(I)C=C(F)C=N1 A40753 [0,2,0,0,0,0|2,0,0]=4 1873 B9R1.69 NC1=C(I)C=C(I)C=N1 D38304 [0,2,0,0,0,0|2,0,0]=4 1874 B9R1.69 NC1=C(I)C=CC(Br)=C1 B42555 [0,2,0,0,0,0|1,0,0]=3 1875 B9R1.69 NC1=C(I)C=CC(Cl)=C1 C42581 [0,2,0,0,0,0|1,0,0]=3 1876 B9R1.69 NC1=C(I)C=CC(Cl)=N1 C40742 [0,2,0,0,0,0|2,0,0]=4 1877 B9R1.69 NC1=C(I)C=CC(F)=C1 F37769 [0,2,0,0,0,0|1,0,0]=3 1878 B9R1.69 NC1=C(I)C=NC(Cl)=C1 A6266 [0,2,0,0,0,0|2,0,0]=4 1879 B9R1.69 NC1=C(N)C=C(Br)C=C1 B42966 [0,2,0,0,0,0|1,0,0]=3 1880 B9R1.69 NC1=C(N)C=C(Cl)C=C1 C67846 [0,2,0,0,0,0|1,0,0]=3 1881 B9R1.69 NC1=C(N)C=C(F)C=C1 F43011 [0,2,0,0,0,0|1,0,0]=3 1882 B9R1.69 NC1=C(N)C=C(I)C=C1 K43020 [0,2,0,0,0,0|1,0,0]=3 1883 B9R1.69 NC1=C(N)N=C(Br)C=C1 B9494 [0,2,0,0,0,0|2,0,0]=4 1884 B9R1.69 NC1=C(N)N=C(Cl)C=C1 C10347 [0,2,0,0,0,0|2,0,0]=4 1885 B9R1.69 NC1=C(O)C=C(Br)C=C1 A36609 [0,2,0,0,0,0|0,0,0]=2 1886 B9R1.69 NC1=C(O)C=C(Cl)C=C1 A69179 [0,2,0,0,0,0|0,0,0]=2 1887 B9R1.69 NC1=C(O)C=C(F)C=C1 A42919 [0,2,0,0,0,0|0,0,0]=2 1888 B9R1.69 NC1=C(O)C=C(O)C=C1 A43536 [0,2,0,0,0,0|0,0,0]=2 1889 B9R1.69 NC1=C(O)C=CC(Br)=C1 A42876 [0,2,0,0,0,0|0,0,0]=2 1890 B9R1.69 NC1=C(O)C=CC(Br)=N1 A32027 [0,2,0,0,0,0|1,0,0]=3 1891 B9R1.69 NC1=C(O)C=CC(F)=C1 A42918 [0,2,0,0,0,0|0,0,0]=2 1892 B9R1.69 NC1=C(O)C=CC(O)=C1 A36668 [0,2,0,0,0,0|0,0,0]=2 1893 B9R1.69 NC1=C(O)C=CC(O)=C1 A43535 [0,2,0,0,0,0|0,0,0]=2 1894 B9R1.69 NC1=CC(Br)=C(Br)C=N1 D40702 [0,2,0,0,0,0|2,0,0]=4 1895 B9R1.69 NC1=CC(Br)=C(Cl)C=C1 B42524 [0,2,0,0,0,0|1,0,0]=3 1896 B9R1.69 NC1=CC(Br)=C(Cl)C=N1 B17074 [0,2,0,0,0,0|2,0,0]=4 1897 B9R1.69 NC1=CC(Br)=C(Cl)N=C1 C13528 [0,2,0,0,0,0|2,0,0]=4 1898 B9R1.69 NC1=CC(Br)=C(F)C=C1 B28202 [0,2,0,0,0,0|1,0,0]=3 1899 B9R1.69 NC1=CC(Br)=C(F)N=C1 B40714 [0,2,0,0,0,0|2,0,0]=4 1900 B9R1.69 NC1=CC(Br)=C(I)C=N1 B40718 [0,2,0,0,0,0|2,0,0]=4 1901 B9R1.69 NC1=CC(Br)=C(N)N=C1 B41055 [0,2,0,0,0,0|2,0,0]=4 1902 B9R1.69 NC1=CC(Br)=C(O)C=C1 A42878 [0,2,0,0,0,0|0,0,0]=2 1903 B9R1.69 NC1=CC(Br)=CN=C1Br A0402 [0,2,0,0,0,0|2,0,0]=4 1904 B9R1.69 NC1=CC(Br)=CN=C1Cl A7566 [0,2,0,0,0,0|2,0,0]=4 1905 B9R1.69 NC1=CC(Br)=CN=C1I B37691 [0,2,0,0,0,0|2,0,0]=4 1906 B9R1.69 NC1=CC(Br)=CN=C1N B10892 [0,2,0,0,0,0|2,0,0]=4 1907 B9R1.69 NC1=CC(Br)=CNC1=O A26990 [0,2,0,0,0,0|1,0,1]=4 1908 B9R1.69 NC1=CC(Br)=NC=C1Br D40701 [0,2,0,0,0,0|2,0,0]=4 1909 B9R1.69 NC1=CC(Cl)=C(Br)C=C1 B42525 [0,2,0,0,0,0|1,0,0]=3 1910 B9R1.69 NC1=CC(Cl)=C(Br)C=N1 B0633 [0,2,0,0,0,0|2,0,0]=4 1911 B9R1.69 NC1=CC(Cl)=C(Cl)C=N1 D12103 [0,2,0,0,0,0|2,0,0]=4 1912 B9R1.69 NC1=CC(Cl)=C(F)C=C1 F68137 [0,2,0,0,0,0|1,0,0]=3 1913 B9R1.69 NC1=CC(Cl)=C(I)C=C1 C42578 [0,2,0,0,0,0|1,0,0]=3 1914 B9R1.69 NC1=CC(Cl)=C(I)C=N1 C40740 [0,2,0,0,0,0|2,0,0]=4 1915 B9R1.69 NC1=CC(Cl)=C(O)C=C1 A69219 [0,2,0,0,0,0|0,0,0]=2 1916 B9R1.69 NC1=CC(Cl)=CN=C1Br A4558 [0,2,0,0,0,0|2,0,0]=4 1917 B9R1.69 NC1=CC(Cl)=CN=C1Cl A40724 [0,2,0,0,0,0|2,0,0]=4 1918 B9R1.69 NC1=CC(Cl)=CN=C1O A40932 [0,2,0,0,0,0|1,0,0]=3 1919 B9R1.69 NC1=CC(Cl)=NC=C1Cl D23549 [0,2,0,0,0,0|2,0,0]=4 1920 B9R1.69 NC1=CC(Cl)=NC=C1F C9054 [0,2,0,0,0,0|2,0,0]=4 1921 B9R1.69 NC1=CC(Cl)=NC=C1O A37620 [0,2,0,0,0,0|1,0,0]=3 1922 B9R1.69 NC1=CC(F)=C(Br)C=C1 B42544 [0,2,0,0,0,0|1,0,0]=3 1923 B9R1.69 NC1=CC(F)=C(Br)C=N1 B26749 [0,2,0,0,0,0|2,0,0]=4 1924 B9R1.69 NC1=CC(F)=C(Cl)C=C1 C38554 [0,2,0,0,0,0|1,0,0]=3 1925 B9R1.69 NC1=CC(F)=C(Cl)C=N1 C40735 [0,2,0,0,0,0|2,0,0]=4 1926 B9R1.69 NC1=CC(F)=C(F)C=C1 D69229 [0,2,0,0,0,0|1,0,0]=3 1927 B9R1.69 NC1=CC(F)=C(F)C=N1 D40749 [0,2,0,0,0,0|2,0,0]=4 1928 B9R1.69 NC1=CC(F)=C(I)C=C1 F42590 [0,2,0,0,0,0|1,0,0]=3 1929 B9R1.69 NC1=CC(F)=C(I)C=N1 F40752 [0,2,0,0,0,0|2,0,0]=4 1930 B9R1.69 NC1=CC(F)=C(O)C=C1 A42921 [0,2,0,0,0,0|0,0,0]=2 1931 B9R1.69 NC1=CC(F)=C(O)C=C1 A63986 [0,2,0,0,0,0|0,0,0]=2 1932 B9R1.69 NC1=CC(F)=CN=C1Br A40716 [0,2,0,0,0,0|2,0,0]=4 1933 B9R1.69 NC1=CC(F)=CN=C1Cl C40732 [0,2,0,0,0,0|2,0,0]=4 1934 B9R1.69 NC1=CC(F)=CN=C1N F38160 [0,2,0,0,0,0|2,0,0]=4 1935 B9R1.69 NC1=CC(I)=C(Br)N=C1 B40721 [0,2,0,0,0,0|2,0,0]=4 1936 B9R1.69 NC1=CC(I)=C(Cl)C=C1 C42580 [0,2,0,0,0,0|1,0,0]=3 1937 B9R1.69 NC1=CC(I)=C(F)C=N1 F29709 [0,2,0,0,0,0|2,0,0]=4 1938 B9R1.69 NC1=CC(I)=C(N)C=C1 K43019 [0,2,0,0,0,0|1,0,0]=3 1939 B9R1.69 NC1=CC(I)=CN=C1Cl C40738 [0,2,0,0,0,0|2,0,0]=4 1940 B9R1.69 NC1=CC(N)=C(Br)C=N1 B41057 [0,2,0,0,0,0|2,0,0]=4 1941 B9R1.69 NC1=CC(N)=C(F)C=C1 F43012 [0,2,0,0,0,0|1,0,0]=3 1942 B9R1.69 NC1=CC(O)=C(Cl)C=C1 C42897 [0,2,0,0,0,0|0,0,0]=2 1943 B9R1.69 NC1=CC(O)=C(O)C=C1 A43430 [0,2,0,0,0,0|0,0,0]=2 1944 B9R1.69 NC1=CC=C(Br)C(Br)=N1 D26249 [0,2,0,0,0,0|2,0,0]=4 1945 B9R1.69 NC1=CC=C(Br)C(I)=N1 B40719 [0,2,0,0,0,0|2,0,0]=4 1946 B9R1.69 NC1=CC=C(Br)N=C1Br A12896 [0,2,0,0,0,0|2,0,0]=4 1947 B9R1.69 NC1=CC=C(Br)N=C1I B40720 [0,2,0,0,0,0|2,0,0]=4 1948 B9R1.69 NC1=CC=C(Br)NC1=O A40926 [0,2,0,0,0,0|1,0,1]=4 1949 B9R1.69 NC1=CC=C(Cl)C(Br)=N1 B29470 [0,2,0,0,0,0|2,0,0]=4 1950 B9R1.69 NC1=CC=C(Cl)N=C1Br A15005 [0,2,0,0,0,0|2,0,0]=4 1951 B9R1.69 NC1=CC=C(Cl)N=C1Cl A4557 [0,2,0,0,0,0|2,0,0]=4 1952 B9R1.69 NC1=CC=C(Cl)N=C1I C40741 [0,2,0,0,0,0|2,0,0]=4 1953 B9R1.69 NC1=CC=C(Cl)NC1=S A62989 [0,2,0,0,0,0|1,1,0]=4 1954 B9R1.69 NC1=CC=C(F)N=C1Br B40712 [0,2,0,0,0,0|2,0,0]=4 1955 B9R1.69 NC1=CC=C(F)N=C1F D40745 [0,2,0,0,0,0|2,0,0]=4 1956 B9R1.69 NC1=CC=C(N)C(Br)=N1 B41058 [0,2,0,0,0,0|2,0,0]=4 1957 B9R1.69 NC1=CN=C(Br)C(Br)=C1 D40703 [0,2,0,0,0,0|2,0,0]=4 1958 B9R1.69 NC1=CN=C(Br)C(Cl)=C1 B37743 [0,2,0,0,0,0|2,0,0]=4 1959 B9R1.69 NC1=CN=C(Br)C=C1Br D23993 [0,2,0,0,0,0|2,0,0]=4 1960 B9R1.69 NC1=CN=C(Br)C=C1N B9140 [0,2,0,0,0,0|2,0,0]=4 1961 B9R1.69 NC1=CN=C(Cl)C(Cl)=C1 A38934 [0,2,0,0,0,0|2,0,0]=4 1962 B9R1.69 NC1=CN=C(Cl)C(F)=C1 C40736 [0,2,0,0,0,0|2,0,0]=4 1963 B9R1.69 NC1=CN=C(Cl)C(N)=C1 C41071 [0,2,0,0,0,0|2,0,0]=4 1964 B9R1.69 NC1=CN=C(Cl)C=C1Cl D25105 [0,2,0,0,0,0|2,0,0]=4 1965 B9R1.69 NC1=CN=C(Cl)C=C1N C3941 [0,2,0,0,0,0|2,0,0]=4 1966 B9R1.69 NC1=CN=C(N)C=C1N P41207 [0,2,0,0,0,0|2,0,0]=4 1967 B9R1.69 NC1=NC(Cl)=C(Br)C=C1 B23269 [0,2,0,0,0,0|2,0,0]=4 1968 B9R1.69 NC1=NC(Cl)=C(I)C=C1 C40743 [0,2,0,0,0,0|2,0,0]=4 1969 B9R1.69 NC1=NC(F)=C(I)C=C1 F62026 [0,2,0,0,0,0|2,0,0]=4 1970 B9R1.69 NC1=NC(N)=C(Br)C=C1 B3719 [0,2,0,0,0,0|2,0,0]=4 1971 B9R1.69 NC1=NC(N)=C(O)C=N1 D40359 [0,2,0,0,0,0|2,0,0]=4 1972 B9R1.69 NC1=NC(O)=C(Br)C=N1 A40095 [0,2,0,0,0,0|2,0,0]=4 1973 B9R1.69 NC1=NC=C(Br)C=C1Cl B23403 [0,2,0,0,0,0|2,0,0]=4 1974 B9R1.69 NC1=NC=C(Br)C=C1F B25193 [0,2,0,0,0,0|2,0,0]=4 1975 B9R1.69 NC1=NC=C(Br)C=C1O A28669 [0,2,0,0,0,0|1,0,0]=3 1976 B9R1.69 NC1=NC=C(Cl)C=C1F C40734 [0,2,0,0,0,0|2,0,0]=4 1977 B9R1.69 NC1=NC=C(Cl)C=C1O A40927 [0,2,0,0,0,0|1,0,0]=3 1978 B9R1.69 NC1=NC=C(I)C=C1Br B29918 [0,2,0,0,0,0|2,0,0]=4 1979 B9R1.69 NC1=NC=C(I)C=C1F F40751 [0,2,0,0,0,0|2,0,0]=4 1980 B9R1.69 O=C1C=C(Cl)C(Cl)=CN1 D40673 [0,2,0,0,0,0|1,0,1]=4 1981 B9R1.69 O=C1C=C(I)C(Cl)=CN1 C60237 [0,2,0,0,0,0|1,0,1]=4 1982 B9R1.69 O=C1C=C(I)C(F)=CN1 F63720 [0,2,0,0,0,0|1,0,1]=4 1983 B9R1.69 O=C1C=CC(Br)=C(F)N1 B62994 [0,2,0,0,0,0|1,0,1]=4 1984 B9R1.69 O=C1NC=C(Br)C=C1Cl B40659 [0,2,0,0,0,0|1,0,1]=4 1985 B9R1.69 O=C1NC=C(Br)C=C1F B40665 [0,2,0,0,0,0|1,0,1]=4 1986 B9R1.69 O=C1NC=C(Br)C=C1I B29829 [0,2,0,0,0,0|1,0,1]=4 1987 B9R1.69 O=C1NC=C(Cl)C=C1I C40682 [0,2,0,0,0,0|1,0,1]=4 1988 B9R1.69 O=C1NC=C(F)C=C1Br B63951 [0,2,0,0,0,0|1,0,1]=4 1989 B9R1.69 O=C1NC=C(F)C=C1Cl C62269 [0,2,0,0,0,0|1,0,1]=4 1990 B9R1.69 O=C1NN=C(O)C=C1Br B40029 [0,2,0,0,0,0|2,0,0]=4 1991 B9R1.69 O=C1OC=C(Br)C=C1Br D3075 [0,2,0,0,0,0|1,0,1]=4 1992 B9R1.69 OC1=C(Br)C=C(Br)C=N1 D40657 [0,2,0,0,0,0|1,0,0]=3 1993 B9R1.69 OC1=C(Br)C=C(Cl)C=C1 B39249 [0,2,0,0,0,0|0,0,0]=2 1994 B9R1.69 OC1=C(Br)C=C(Cl)C=N1 B37047 [0,2,0,0,0,0|1,0,0]=3 1995 B9R1.69 OC1=C(Br)C=C(F)C=C1 B39250 [0,2,0,0,0,0|0,0,0]=2 1996 B9R1.69 OC1=C(Br)C=CC(Br)=C1 D9405 [0,2,0,0,0,0|0,0,0]=2 1997 B9R1.69 OC1=C(Br)C=CC(Cl)=C1 B32295 [0,2,0,0,0,0|0,0,0]=2 1998 B9R1.69 OC1=C(Br)C=CC(F)=C1 B42343 [0,2,0,0,0,0|0,0,0]=2 1999 B9R1.69 OC1=C(Br)C=CC(I)=C1 B42348 [0,2,0,0,0,0|0,0,0]=2 2000 B9R1.69 OC1=C(Br)C=NC(Cl)=C1 B40661 [0,2,0,0,0,0|1,0,0]=3 2001 B9R1.69 OC1=C(Br)N=C(I)C=C1 B63091 [0,2,0,0,0,0|1,0,0]=3 2002 B9R1.69 OC1=C(Cl)C=C(Br)C=C1 B67874 [0,2,0,0,0,0|0,0,0]=2 2003 B9R1.69 OC1=C(Cl)C=C(F)C=C1 C39252 [0,2,0,0,0,0|0,0,0]=2 2004 B9R1.69 OC1=C(Cl)C=C(I)C=C1 C42359 [0,2,0,0,0,0|0,0,0]=2 2005 B9R1.69 OC1=C(Cl)C=CC(Br)=C1 B67837 [0,2,0,0,0,0|0,0,0]=2 2006 B9R1.69 OC1=C(Cl)C=CC(F)=C1 C42353 [0,2,0,0,0,0|0,0,0]=2 2007 B9R1.69 OC1=C(Cl)C=CC(I)=C1 C36714 [0,2,0,0,0,0|0,0,0]=2 2008 B9R1.69 OC1=C(Cl)N=C(I)C=C1 C21995 [0,2,0,0,0,0|1,0,0]=3 2009 B9R1.69 OC1=C(F)C=C(Br)C=C1 B39251 [0,2,0,0,0,0|0,0,0]=2 2010 B9R1.69 OC1=C(F)C=C(Cl)C=C1 C42357 [0,2,0,0,0,0|0,0,0]=2 2011 B9R1.69 OC1=C(F)C=C(F)C=C1 D39253 [0,2,0,0,0,0|0,0,0]=2 2012 B9R1.69 OC1=C(F)C=C(I)C=C1 F42367 [0,2,0,0,0,0|0,0,0]=2 2013 B9R1.69 OC1=C(F)C=CC(Br)=C1 B42347 [0,2,0,0,0,0|0,0,0]=2 2014 B9R1.69 OC1=C(F)C=CC(Cl)=C1 C42358 [0,2,0,0,0,0|0,0,0]=2 2015 B9R1.69 OC1=C(F)C=CC(F)=C1 D42364 [0,2,0,0,0,0|0,0,0]=2 2016 B9R1.69 OC1=C(F)C=CC(I)=C1 F36767 [0,2,0,0,0,0|0,0,0]=2 2017 B9R1.69 OC1=C(F)N=C(Br)C=C1 B40664 [0,2,0,0,0,0|1,0,0]=3 2018 B9R1.69 OC1=C(F)N=C(Cl)C=C1 C40679 [0,2,0,0,0,0|1,0,0]=3 2019 B9R1.69 OC1=C(I)C=C(Br)C=C1 B42351 [0,2,0,0,0,0|0,0,0]=2 2020 B9R1.69 OC1=C(I)C=C(Cl)C=C1 C38571 [0,2,0,0,0,0|0,0,0]=2 2021 B9R1.69 OC1=C(I)C=C(F)C=C1 F42370 [0,2,0,0,0,0|0,0,0]=2 2022 B9R1.69 OC1=C(I)C=C(I)C=N1 D40684 [0,2,0,0,0,0|1,0,0]=3 2023 B9R1.69 OC1=C(I)C=CC(Br)=C1 B28730 [0,2,0,0,0,0|0,0,0]=2 2024 B9R1.69 OC1=C(I)C=CC(Cl)=C1 C42363 [0,2,0,0,0,0|0,0,0]=2 2025 B9R1.69 OC1=C(I)C=NC(Cl)=C1 C10773 [0,2,0,0,0,0|1,0,0]=3 2026 B9R1.69 OC1=C(O)C=C(Br)C=C1 B67979 [0,2,0,0,0,0|0,0,0]=2 2027 B9R1.69 OC1=CC(Br)=C(Cl)C=C1 B42340 [0,2,0,0,0,0|0,0,0]=2 2028 B9R1.69 OC1=CC(Br)=C(Cl)N=C1 B18505 [0,2,0,0,0,0|1,0,0]=3 2029 B9R1.69 OC1=CC(Br)=C(F)C=C1 B42345 [0,2,0,0,0,0|0,0,0]=2 2030 B9R1.69 OC1=CC(Br)=C(F)C=N1 B26078 [0,2,0,0,0,0|1,0,0]=3 2031 B9R1.69 OC1=CC(Br)=C(F)N=C1 B40663 [0,2,0,0,0,0|1,0,0]=3 2032 B9R1.69 OC1=CC(Br)=C(I)C=C1 B63427 [0,2,0,0,0,0|0,0,0]=2 2033 B9R1.69 OC1=CC(Br)=C(O)N=N1 B40027 [0,2,0,0,0,0|2,0,0]=4 2034 B9R1.69 OC1=CC(Br)=CN=C1Br D40655 [0,2,0,0,0,0|1,0,0]=3 2035 B9R1.69 OC1=CC(Br)=CN=C1Cl B9981 [0,2,0,0,0,0|1,0,0]=3 2036 B9R1.69 OC1=CC(Br)=CN=C1O B36779 [0,2,0,0,0,0|1,0,0]=3 2037 B9R1.69 OC1=CC(Br)=NC=C1F B40662 [0,2,0,0,0,0|1,0,0]=3 2038 B9R1.69 OC1=CC(Cl)=C(Br)C=C1 B42342 [0,2,0,0,0,0|0,0,0]=2 2039 B9R1.69 OC1=CC(Cl)=C(F)C=C1 C42355 [0,2,0,0,0,0|0,0,0]=2 2040 B9R1.69 OC1=CC(Cl)=C(F)N=C1 C40678 [0,2,0,0,0,0|1,0,0]=3 2041 B9R1.69 OC1=CC(Cl)=C(I)C=C1 C42362 [0,2,0,0,0,0|0,0,0]=2 2042 B9R1.69 OC1=CC(Cl)=CN=C1Br B37041 [0,2,0,0,0,0|1,0,0]=3 2043 B9R1.69 OC1=CC(Cl)=CN=C1O C40837 [0,2,0,0,0,0|1,0,0]=3 2044 B9R1.69 OC1=CC(Cl)=NN=C1Cl D39994 [0,2,0,0,0,0|2,0,0]=4 2045 B9R1.69 OC1=CC(Cl)=NN=C1Cl D39998 [0,2,0,0,0,0|2,0,0]=4 2046 B9R1.69 OC1=CC(F)=C(Br)C=C1 B42346 [0,2,0,0,0,0|0,0,0]=2 2047 B9R1.69 OC1=CC(F)=C(Cl)C=C1 C37836 [0,2,0,0,0,0|0,0,0]=2 2048 B9R1.69 OC1=CC(F)=C(F)C=C1 D42365 [0,2,0,0,0,0|0,0,0]=2 2049 B9R1.69 OC1=CC(F)=C(I)C=C1 F42369 [0,2,0,0,0,0|0,0,0]=2 2050 B9R1.69 OC1=CC(F)=CN=C1Cl C40676 [0,2,0,0,0,0|1,0,0]=3 2051 B9R1.69 OC1=CC(O)=C(Br)C=C1 B42694 [0,2,0,0,0,0|0,0,0]=2 2052 B9R1.69 OC1=CC(O)=C(Cl)C=C1 C68880 [0,2,0,0,0,0|0,0,0]=2 2053 B9R1.69 OC1=CC(O)=C(F)C=C1 F42702 [0,2,0,0,0,0|0,0,0]=2 2054 B9R1.69 OC1=CC(O)=C(O)C=C1 B68356 [0,2,0,0,0,0|0,0,0]=2 2055 B9R1.69 OC1=CC=C(Br)N=C1Br D39120 [0,2,0,0,0,0|1,0,0]=3 2056 B9R1.69 OC1=CC=C(Br)N=C1I B40667 [0,2,0,0,0,0|1,0,0]=3 2057 B9R1.69 OC1=CC=C(Cl)C(Cl)=N1 D40675 [0,2,0,0,0,0|1,0,0]=3 2058 B9R1.69 OC1=CC=C(Cl)N=C1Cl D40669 [0,2,0,0,0,0|1,0,0]=3 2059 B9R1.69 OC1=CC=C(Cl)N=C1I C40681 [0,2,0,0,0,0|1,0,0]=3 2060 B9R1.69 OC1=CC=C(F)N=C1F D40683 [0,2,0,0,0,0|1,0,0]=3 2061 B9R1.69 OC1=CC=C(F)N=C1I F22349 [0,2,0,0,0,0|1,0,0]=3 2062 B9R1.69 OC1=CN=C(Br)C(Cl)=C1 B40660 [0,2,0,0,0,0|1,0,0]=3 2063 B9R1.69 OC1=CN=C(Cl)C(Cl)=C1 D40671 [0,2,0,0,0,0|1,0,0]=3 2064 B9R1.69 OC1=CN=C(Cl)C(F)=C1 C25929 [0,2,0,0,0,0|1,0,0]=3 2065 B9R1.69 OC1=CN=C(F)C=C1F D67338 [0,2,0,0,0,0|1,0,0]=3 2066 B9R1.69 OC1=NC=C(Br)N=C1Br D39990 [0,2,0,0,0,0|2,0,0]=4 2067 B9R1.69 OC1=NC=C(Cl)C=C1F C40677 [0,2,0,0,0,0|1,0,0]=3 2068 B9R1.69 OC1=NC=C(I)C=C1Br B40666 [0,2,0,0,0,0|1,0,0]=3 2069 B9R1.69 [Mg+]C1=CC(Cl)=C(Cl)C=C1 D31794 [0,2,0,0,0,0|1,0,0]=3 2070 B9R1.3 BrC1=CC=CC(Br)=C1I D41775 [0,2,0,0,0,0|1,0,0]=3 2071 B9R1.3 CC1=C(Br)C(Br)=NC=C1 D42516 [0,2,0,0,0,0|2,0,0]=4 2072 B9R1.3 CC1=C(Br)C=CC=C1Br D45153 [0,2,0,0,0,0|1,0,0]=3 2073 B9R1.3 CC1=C(Br)C=CC=C1Cl B39372 [0,2,0,0,0,0|1,0,0]=3 2074 B9R1.3 CC1=C(Br)C=CC=C1F B45164 [0,2,0,0,0,0|1,0,0]=3 2075 B9R1.3 CC1=C(Br)C=CC=C1N B9477 [0,2,0,0,0,0|1,0,0]=3 2076 B9R1.3 CC1=C(Br)C=CC=C1O B45947 [0,2,0,0,0,0|0,0,0]=2 2077 B9R1.3 CC1=C(Br)C=CN=C1Cl B18413 [0,2,0,0,0,0|2,0,0]=4 2078 B9R1.3 CC1=C(Br)C=CN=C1F B18412 [0,2,0,0,0,0|2,0,0]=4 2079 B9R1.3 CC1=C(Br)C=CN=C1N B42972 [0,2,0,0,0,0|2,0,0]=4 2080 B9R1.3 CC1=C(Br)C=NC=C1Br D42518 [0,2,0,0,0,0|2,0,0]=4 2081 B9R1.3 CC1=C(Br)C=NC=C1Cl B42534 [0,2,0,0,0,0|2,0,0]=4 2082 B9R1.3 CC1=C(Br)C=NC=C1N B42974 [0,2,0,0,0,0|2,0,0]=4 2083 B9R1.3 CC1=C(C)C(Br)=NC=C1 B38974 [0,2,0,0,0,0|2,0,0]=4 2084 B9R1.3 CC1=C(C)C(Cl)=NC=C1 C46100 [0,2,0,0,0,0|2,0,0]=4 2085 B9R1.3 CC1=C(C)C(N)=NC=C1 D43609 [0,2,0,0,0,0|2,0,0]=4 2086 B9R1.3 CC1=C(C)C(O)=NC=N1 D43196 [0,2,0,0,0,0|2,0,0]=4 2087 B9R1.3 CC1=C(Cl)C(Br)=NC=C1 B38914 [0,2,0,0,0,0|2,0,0]=4 2088 B9R1.3 CC1=C(Cl)C(Cl)=NC=C1 D42557 [0,2,0,0,0,0|2,0,0]=4 2089 B9R1.3 CC1=C(Cl)C=CC=C1N C64896 [0,2,0,0,0,0|1,0,0]=3 2090 B9R1.3 CC1=C(Cl)C=CC=C1O C45954 [0,2,0,0,0,0|0,0,0]=2 2091 B9R1.3 CC1=C(Cl)C=CN=C1Br B61884 [0,2,0,0,0,0|2,0,0]=4 2092 B9R1.3 CC1=C(Cl)C=CN=C1Cl D18641 [0,2,0,0,0,0|2,0,0]=4 2093 B9R1.3 CC1=C(Cl)C=CN=C1N C42996 [0,2,0,0,0,0|2,0,0]=4 2094 B9R1.3 CC1=C(Cl)C=NC=C1Cl D37338 [0,2,0,0,0,0|2,0,0]=4 2095 B9R1.3 CC1=C(F)C(Br)=NC=C1 B42545 [0,2,0,0,0,0|2,0,0]=4 2096 B9R1.3 CC1=C(F)C(Cl)=NC=C1 C42571 [0,2,0,0,0,0|2,0,0]=4 2097 B9R1.3 CC1=C(F)C=CC=C1F D45186 [0,2,0,0,0,0|1,0,0]=3 2098 B9R1.3 CC1=C(F)C=CC=C1N F46112 [0,2,0,0,0,0|1,0,0]=3 2099 B9R1.3 CC1=C(F)C=CC=C1O F38593 [0,2,0,0,0,0|0,0,0]=2 2100 B9R1.3 CC1=C(I)C=CC=C1Br B38558 [0,2,0,0,0,0|1,0,0]=3 2101 B9R1.3 CC1=C(I)C=CC=C1Cl C45180 [0,2,0,0,0,0|1,0,0]=3 2102 B9R1.3 CC1=C(I)C=CC=C1F F45192 [0,2,0,0,0,0|1,0,0]=3 2103 B9R1.3 CC1=C(I)C=CC=C1N A46115 [0,2,0,0,0,0|1,0,0]=3 2104 B9R1.3 CC1=C(I)C=CN=C1Cl C68165 [0,2,0,0,0,0|2,0,0]=4 2105 B9R1.3 CC1=C(I)C=CN=C1F F42593 [0,2,0,0,0,0|2,0,0]=4 2106 B9R1.3 CC1=C(N)C(Br)=NC=C1 A8781 [0,2,0,0,0,0|2,0,0]=4 2107 B9R1.3 CC1=C(N)C(Cl)=NC=C1 C67997 [0,2,0,0,0,0|2,0,0]=4 2108 B9R1.3 CC1=C(N)C(F)=NC=C1 F43013 [0,2,0,0,0,0|2,0,0]=4 2109 B9R1.3 CC1=C(N)C(N)=NC=C1 M7663 [0,2,0,0,0,0|2,0,0]=4 2110 B9R1.3 CC1=C(O)C(Br)=NC=C1 B42881 [0,2,0,0,0,0|1,0,0]=3 2111 B9R1.3 CC1=C(O)C(Cl)=NC=C1 C26074 [0,2,0,0,0,0|1,0,0]=3 2112 B9R1.3 CC1=C(O)C=CC=C1N A46372 [0,2,0,0,0,0|0,0,0]=2 2113 B9R1.3 CC1=C(O)C=CC=C1O M68594 [0,2,0,0,0,0|0,0,0]=2 2114 B9R1.3 CC1=C([Mg+])C=CC=C1F F31749 [0,2,0,0,0,0|1,0,0]=3 2115 B9R1.3 CC1=CC=CC(Br)=C1Cl B45161 [0,2,0,0,0,0|1,0,0]=3 2116 B9R1.3 CC1=CC=CC(Br)=C1F B45166 [0,2,0,0,0,0|1,0,0]=3 2117 B9R1.3 CC1=CC=CC(Br)=C1I B45172 [0,2,0,0,0,0|1,0,0]=3 2118 B9R1.3 CC1=CC=CC(Br)=C1N B9480 [0,2,0,0,0,0|1,0,0]=3 2119 B9R1.3 CC1=CC=CC(Br)=C1O B45946 [0,2,0,0,0,0|0,0,0]=2 2120 B9R1.3 CC1=CC=CC(C)=C1Br D49159 [0,2,0,0,0,0|1,0,0]=3 2121 B9R1.3 CC1=CC=CC(C)=C1Cl C68697 [0,2,0,0,0,0|1,0,0]=3 2122 B9R1.3 CC1=CC=CC(C)=C1F F49164 [0,2,0,0,0,0|1,0,0]=3 2123 B9R1.3 CC1=CC=CC(C)=C1I K49169 [0,2,0,0,0,0|1,0,0]=3 2124 B9R1.3 CC1=CC=CC(C)=C1[Mg+] D31737 [0,2,0,0,0,0|1,0,0]=3 2125 B9R1.3 CC1=CC=CC(Cl)=C1Br B45162 [0,2,0,0,0,0|1,0,0]=3 2126 B9R1.3 CC1=CC=CC(Cl)=C1I C45181 [0,2,0,0,0,0|1,0,0]=3 2127 B9R1.3 CC1=CC=CC(Cl)=C1N C46093 [0,2,0,0,0,0|1,0,0]=3 2128 B9R1.3 CC1=CC=CC(F)=C1Br B45169 [0,2,0,0,0,0|1,0,0]=3 2129 B9R1.3 CC1=CC=CC(F)=C1C F49163 [0,2,0,0,0,0|1,0,0]=3 2130 B9R1.3 CC1=CC=CC(F)=C1F D45187 [0,2,0,0,0,0|1,0,0]=3 2131 B9R1.3 CC1=CC=CC(F)=C1I F45190 [0,2,0,0,0,0|1,0,0]=3 2132 B9R1.3 CC1=CC=CC(F)=C1N F38493 [0,2,0,0,0,0|1,0,0]=3 2133 B9R1.3 CC1=CC=CC(I)=C1Br B45174 [0,2,0,0,0,0|1,0,0]=3 2134 B9R1.3 CC1=CC=CC(I)=C1C K49168 [0,2,0,0,0,0|1,0,0]=3 2135 B9R1.3 CC1=CC=CC(I)=C1Cl C45184 [0,2,0,0,0,0|1,0,0]=3 2136 B9R1.3 CC1=CC=CC(N)=C1Br B46073 [0,2,0,0,0,0|1,0,0]=3 2137 B9R1.3 CC1=CC=CC(N)=C1Cl C46091 [0,2,0,0,0,0|1,0,0]=3 2138 B9R1.3 CC1=CC=CC(N)=C1F A37863 [0,2,0,0,0,0|1,0,0]=3 2139 B9R1.3 CC1=CC=CC(N)=C1I K63048 [0,2,0,0,0,0|1,0,0]=3 2140 B9R1.3 CC1=CC=CC(N)=C1N M68904 [0,2,0,0,0,0|1,0,0]=3 2141 B9R1.3 CC1=CC=CC(O)=C1Br B45945 [0,2,0,0,0,0|0,0,0]=2 2142 B9R1.3 CC1=CC=CC(O)=C1F F45957 [0,2,0,0,0,0|0,0,0]=2 2143 B9R1.3 CC1=CC=CC(O)=C1N A46371 [0,2,0,0,0,0|0,0,0]=2 2144 B9R1.3 CC1=CC=CC(O)=C1O M68593 [0,2,0,0,0,0|0,0,0]=2 2145 B9R1.3 CC1=CC=CC([Mg+])=C1C D31734 [0,2,0,0,0,0|1,0,0]=3 2146 B9R1.3 CC1=CC=NC(C)=C1Br B46081 [0,2,0,0,0,0|2,0,0]=4 2147 B9R1.3 CC1=CC=NC(Cl)=C1Br B1569 [0,2,0,0,0,0|2,0,0]=4 2148 B9R1.3 CC1=CC=NC(F)=C1Br B42550 [0,2,0,0,0,0|2,0,0]=4 2149 B9R1.3 CC1=CC=NC(N)=C1Br A42965 [0,2,0,0,0,0|2,0,0]=4 2150 B9R1.3 CC1=CC=NC(N)=C1Cl C63856 [0,2,0,0,0,0|2,0,0]=4 2151 B9R1.3 CC1=CC=NC(O)=C1Br B42883 [0,2,0,0,0,0|1,0,0]=3 2152 B9R1.3 CC1=CN=CC(Br)=C1C B67733 [0,2,0,0,0,0|2,0,0]=4 2153 B9R1.3 CC1=CN=CC(Br)=C1Cl B42533 [0,2,0,0,0,0|2,0,0]=4 2154 B9R1.3 CC1=CN=CC(Br)=C1N B36942 [0,2,0,0,0,0|2,0,0]=4 2155 B9R1.3 CC1=CN=CC(C)=C1N D1039 [0,2,0,0,0,0|2,0,0]=4 2156 B9R1.3 CC1=CN=CC(Cl)=C1N C32268 [0,2,0,0,0,0|2,0,0]=4 2157 B9R1.3 CC1=CN=CC(F)=C1N F43016 [0,2,0,0,0,0|2,0,0]=4 2158 B9R1.3 CC1=CN=CC(N)=C1N M43335 [0,2,0,0,0,0|2,0,0]=4 2159 B9R1.3 CC1=NC=CC(Br)=C1C B46083 [0,2,0,0,0,0|2,0,0]=4 2160 B9R1.3 CC1=NC=CC(Br)=C1F B32156 [0,2,0,0,0,0|2,0,0]=4 2161 B9R1.3 CC1=NC=CC(Cl)=C1F C42575 [0,2,0,0,0,0|2,0,0]=4 2162 B9R1.3 CC1=NC=CC(N)=C1C A9714 [0,2,0,0,0,0|2,0,0]=4 2163 B9R1.3 CC1=NC=CC(N)=C1F F43014 [0,2,0,0,0,0|2,0,0]=4 2164 B9R1.3 CC1=NC=CC(N)=C1N M43332 [0,2,0,0,0,0|2,0,0]=4 2165 B9R1.3 CC1=NC=NC(C)=C1O D43194 [0,2,0,0,0,0|2,0,0]=4 2166 B9R1.3 CC1=NC=NC(O)=C1Br B40918 [0,2,0,0,0,0|2,0,0]=4 2167 B9R1.3 CN1C(=O)C=CC=C1Br B42892 [0,2,0,0,0,0|1,0,1]=4 2168 B9R1.3 CN1C(=O)C=CC=C1Cl C42913 [0,2,0,0,0,0|1,0,1]=4 2169 B9R1.3 CN1C=CC=C(Br)C1=O B12857 [0,2,0,0,0,0|1,0,1]=4 2170 B9R1.3 CN1C=CC=C(N)C1=O A20230 [0,2,0,0,0,0|1,0,1]=4 2171 B9R1.3 ClC1=C(Br)C=CC=C1Br D41773 [0,2,0,0,0,0|1,0,0]=3 2172 B9R1.3 ClC1=C(Br)C=NC=C1Br C11384 [0,2,0,0,0,0|2,0,0]=4 2173 B9R1.3 ClC1=C(I)C=CC=C1Br B64022 [0,2,0,0,0,0|1,0,0]=3 2174 B9R1.3 ClC1=CC=CC(Br)=C1Cl B41776 [0,2,0,0,0,0|1,0,0]=3 2175 B9R1.3 ClC1=CC=CC(Br)=C1I B41784 [0,2,0,0,0,0|1,0,0]=3 2176 B9R1.3 ClC1=CC=CC(Cl)=C1Br B41777 [0,2,0,0,0,0|1,0,0]=3 2177 B9R1.3 ClC1=CC=CC(Cl)=C1I D41802 [0,2,0,0,0,0|1,0,0]=3 2178 B9R1.3 ClC1=CC=CC(I)=C1Br B37218 [0,2,0,0,0,0|1,0,0]=3 2179 B9R1.3 ClC1=CC=CC(I)=C1Cl D41800 [0,2,0,0,0,0|1,0,0]=3 2180 B9R1.3 ClC1=CC=NC(Cl)=C1Br B40504 [0,2,0,0,0,0|2,0,0]=4 2181 B9R1.3 ClC1=CC=NC(Cl)=C1I D40526 [0,2,0,0,0,0|2,0,0]=4 2182 B9R1.3 ClC1=CN=CC(Br)=C1Cl B37738 [0,2,0,0,0,0|2,0,0]=4 2183 B9R1.3 ClC1=CN=CC(Cl)=C1Cl T23093 [0,2,0,0,0,0|2,0,0]=4 2184 B9R1.3 ClC1=NC=CC(Cl)=C1Cl T38087 [0,2,0,0,0,0|2,0,0]=4 2185 B9R1.3 ClC1=NC=CC(I)=C1Cl D40525 [0,2,0,0,0,0|2,0,0]=4 2186 B9R1.3 FC1=C(Br)C(Cl)=CC=N1 B40510 [0,2,0,0,0,0|2,0,0]=4 2187 B9R1.3 FC1=C(Br)C=CC=C1Br D37998 [0,2,0,0,0,0|1,0,0]=3 2188 B9R1.3 FC1=C(Br)C=CC=C1Cl B41782 [0,2,0,0,0,0|1,0,0]=3 2189 B9R1.3 FC1=C(Br)C=CN=C1Cl B32363 [0,2,0,0,0,0|2,0,0]=4 2190 B9R1.3 FC1=C(Cl)C=CC=C1Cl D39227 [0,2,0,0,0,0|1,0,0]=3 2191 B9R1.3 FC1=C(Cl)C=CN=C1Br B40508 [0,2,0,0,0,0|2,0,0]=4 2192 B9R1.3 FC1=C(Cl)C=CN=C1Cl D38793 [0,2,0,0,0,0|2,0,0]=4 2193 B9R1.3 FC1=C(I)C(I)=CC=N1 F40541 [0,2,0,0,0,0|2,0,0]=4 2194 B9R1.3 FC1=C(I)C=CC=C1Br B41791 [0,2,0,0,0,0|1,0,0]=3 2195 B9R1.3 FC1=C(I)C=CC=C1Cl C41808 [0,2,0,0,0,0|1,0,0]=3 2196 B9R1.3 FC1=C(I)C=CN=C1Cl C36664 [0,2,0,0,0,0|2,0,0]=4 2197 B9R1.3 FC1=CC=CC(Br)=C1Cl B41781 [0,2,0,0,0,0|1,0,0]=3 2198 B9R1.3 FC1=CC=CC(Br)=C1F B67479 [0,2,0,0,0,0|1,0,0]=3 2199 B9R1.3 FC1=CC=CC(Br)=C1I B41793 [0,2,0,0,0,0|1,0,0]=3 2200 B9R1.3 FC1=CC=CC(Cl)=C1Br B38490 [0,2,0,0,0,0|1,0,0]=3 2201 B9R1.3 FC1=CC=CC(Cl)=C1F C41803 [0,2,0,0,0,0|1,0,0]=3 2202 B9R1.3 FC1=CC=CC(Cl)=C1I C41809 [0,2,0,0,0,0|1,0,0]=3 2203 B9R1.3 FC1=CC=CC(F)=C1Br B41789 [0,2,0,0,0,0|1,0,0]=3 2204 B9R1.3 FC1=CC=CC(F)=C1I D41814 [0,2,0,0,0,0|1,0,0]=3 2205 B9R1.3 FC1=CC=NC(F)=C1Br B40518 [0,2,0,0,0,0|2,0,0]=4 2206 B9R1.3 FC1=CC=NC(F)=C1Cl C40531 [0,2,0,0,0,0|2,0,0]=4 2207 B9R1.3 FC1=CC=NC(F)=C1I D40536 [0,2,0,0,0,0|2,0,0]=4 2208 B9R1.3 FC1=CN=CC(Br)=C1Br D40502 [0,2,0,0,0,0|2,0,0]=4 2209 B9R1.3 FC1=CN=CC(Br)=C1Cl B17539 [0,2,0,0,0,0|2,0,0]=4 2210 B9R1.3 FC1=CN=CC(Cl)=C1Br B40513 [0,2,0,0,0,0|2,0,0]=4 2211 B9R1.3 FC1=CN=CC(F)=C1Br B4908 [0,2,0,0,0,0|2,0,0]=4 2212 B9R1.3 FC1=CN=CC(F)=C1F T40540 [0,2,0,0,0,0|2,0,0]=4 2213 B9R1.3 FC1=CN=CC(F)=C1I D40538 [0,2,0,0,0,0|2,0,0]=4 2214 B9R1.3 FC1=NC=CC(Br)=C1Cl B61783 [0,2,0,0,0,0|2,0,0]=4 2215 B9R1.3 FC1=NC=CC(Br)=C1F B40519 [0,2,0,0,0,0|2,0,0]=4 2216 B9R1.3 FC1=NC=CC(Cl)=C1F D40530 [0,2,0,0,0,0|2,0,0]=4 2217 B9R1.3 FC1=NC=CC(I)=C1Br B40520 [0,2,0,0,0,0|2,0,0]=4 2218 B9R1.3 FC1=NC=CC(I)=C1Cl C61239 [0,2,0,0,0,0|2,0,0]=4 2219 B9R1.3 FC1=NC=CC(I)=C1F D38676 [0,2,0,0,0,0|2,0,0]=4 2220 B9R1.3 NC1=C(Br)C(Cl)=CC=N1 B36683 [0,2,0,0,0,0|2,0,0]=4 2221 B9R1.3 NC1=C(Br)C=CC=C1Br D42513 [0,2,0,0,0,0|1,0,0]=3 2222 B9R1.3 NC1=C(Br)C=CC=C1Cl B38738 [0,2,0,0,0,0|1,0,0]=3 2223 B9R1.3 NC1=C(Br)C=CC=C1F B42542 [0,2,0,0,0,0|1,0,0]=3 2224 B9R1.3 NC1=C(Br)C=CC=C1O A32065 [0,2,0,0,0,0|0,0,0]=2 2225 B9R1.3 NC1=C(Br)C=CN=C1Cl B40708 [0,2,0,0,0,0|2,0,0]=4 2226 B9R1.3 NC1=C(Br)C=NC=C1Br D25606 [0,2,0,0,0,0|2,0,0]=4 2227 B9R1.3 NC1=C(Br)C=NC=C1Cl B40707 [0,2,0,0,0,0|2,0,0]=4 2228 B9R1.3 NC1=C(Br)C=NC=C1F B8754 [0,2,0,0,0,0|2,0,0]=4 2229 B9R1.3 NC1=C(Cl)C(Br)=NC=C1 B40706 [0,2,0,0,0,0|2,0,0]=4 2230 B9R1.3 NC1=C(Cl)C(Cl)=CC=N1 A11984 [0,2,0,0,0,0|2,0,0]=4 2231 B9R1.3 NC1=C(Cl)C(Cl)=NC=C1 D21982 [0,2,0,0,0,0|2,0,0]=4 2232 B9R1.3 NC1=C(Cl)C=CC=C1F C42567 [0,2,0,0,0,0|1,0,0]=3 2233 B9R1.3 NC1=C(Cl)C=CC=C1O A42895 [0,2,0,0,0,0|0,0,0]=2 2234 B9R1.3 NC1=C(Cl)C=CN=C1Cl A37901 [0,2,0,0,0,0|2,0,0]=4 2235 B9R1.3 NC1=C(F)C(Br)=NC=C1 B38280 [0,2,0,0,0,0|2,0,0]=4 2236 B9R1.3 NC1=C(F)C(Cl)=NC=C1 C8756 [0,2,0,0,0,0|2,0,0]=4 2237 B9R1.3 NC1=C(F)C(F)=CC=N1 D40747 [0,2,0,0,0,0|2,0,0]=4 2238 B9R1.3 NC1=C(F)C=CC=C1F D42587 [0,2,0,0,0,0|1,0,0]=3 2239 B9R1.3 NC1=C(F)C=CC=C1O A42917 [0,2,0,0,0,0|0,0,0]=2 2240 B9R1.3 NC1=C(F)C=NC=C1F D4907 [0,2,0,0,0,0|2,0,0]=4 2241 B9R1.3 NC1=C(I)C(Cl)=CC=N1 C9943 [0,2,0,0,0,0|2,0,0]=4 2242 B9R1.3 NC1=C(I)C=CC=C1Br B63450 [0,2,0,0,0,0|1,0,0]=3 2243 B9R1.3 NC1=C(I)C=CC=C1Cl C42576 [0,2,0,0,0,0|1,0,0]=3 2244 B9R1.3 NC1=C(I)C=CC=C1F F42588 [0,2,0,0,0,0|1,0,0]=3 2245 B9R1.3 NC1=C(I)C=NC=C1Br A13423 [0,2,0,0,0,0|2,0,0]=4 2246 B9R1.3 NC1=C(I)C=NC=C1Cl C40739 [0,2,0,0,0,0|2,0,0]=4 2247 B9R1.3 NC1=C(I)C=NC=C1I A40754 [0,2,0,0,0,0|2,0,0]=4 2248 B9R1.3 NC1=C(N)C(Br)=NC=C1 B8878 [0,2,0,0,0,0|2,0,0]=4 2249 B9R1.3 NC1=C(N)C(Cl)=NC=C1 C3943 [0,2,0,0,0,0|2,0,0]=4 2250 B9R1.3 NC1=C(N)C(O)=NC=C1 D23116 [0,2,0,0,0,0|1,0,0]=3 2251 B9R1.3 NC1=C(O)C(Cl)=NC=C1 A40929 [0,2,0,0,0,0|1,0,0]=3 2252 B9R1.3 NC1=C(O)C=CC=C1O A38678 [0,2,0,0,0,0|0,0,0]=2 2253 B9R1.3 NC1=C(O)C=CC=C1O A43534 [0,2,0,0,0,0|0,0,0]=2 2254 B9R1.3 NC1=CC=CC(Br)=C1Cl B42523 [0,2,0,0,0,0|1,0,0]=3 2255 B9R1.3 NC1=CC=CC(Br)=C1F B38520 [0,2,0,0,0,0|1,0,0]=3 2256 B9R1.3 NC1=CC=CC(Br)=C1N B32181 [0,2,0,0,0,0|1,0,0]=3 2257 B9R1.3 NC1=CC=CC(Br)=C1N B5243 [0,2,0,0,0,0|1,0,0]=3 2258 B9R1.3 NC1=CC=CC(Br)=C1O A22810 [0,2,0,0,0,0|0,0,0]=2 2259 B9R1.3 NC1=CC=CC(Cl)=C1Br B36963 [0,2,0,0,0,0|1,0,0]=3 2260 B9R1.3 NC1=CC=CC(Cl)=C1F C69237 [0,2,0,0,0,0|1,0,0]=3 2261 B9R1.3 NC1=CC=CC(Cl)=C1I C42577 [0,2,0,0,0,0|1,0,0]=3 2262 B9R1.3 NC1=CC=CC(Cl)=C1N D42986 [0,2,0,0,0,0|1,0,0]=3 2263 B9R1.3 NC1=CC=CC(Cl)=C1O A42896 [0,2,0,0,0,0|0,0,0]=2 2264 B9R1.3 NC1=CC=CC(F)=C1Br B42541 [0,2,0,0,0,0|1,0,0]=3 2265 B9R1.3 NC1=CC=CC(F)=C1Cl C42566 [0,2,0,0,0,0|1,0,0]=3 2266 B9R1.3 NC1=CC=CC(F)=C1F D42586 [0,2,0,0,0,0|1,0,0]=3 2267 B9R1.3 NC1=CC=CC(F)=C1I F42589 [0,2,0,0,0,0|1,0,0]=3 2268 B9R1.3 NC1=CC=CC(F)=C1I F42597 [0,2,0,0,0,0|1,0,0]=3 2269 B9R1.3 NC1=CC=CC(F)=C1N F43010 [0,2,0,0,0,0|1,0,0]=3 2270 B9R1.3 NC1=CC=CC(F)=C1O F42923 [0,2,0,0,0,0|0,0,0]=2 2271 B9R1.3 NC1=CC=CC(N)=C1N B43329 [0,2,0,0,0,0|1,0,0]=3 2272 B9R1.3 NC1=CC=CC(N)=C1O D43538 [0,2,0,0,0,0|0,0,0]=2 2273 B9R1.3 NC1=CC=CC(O)=C1Br A15925 [0,2,0,0,0,0|0,0,0]=2 2274 B9R1.3 NC1=CC=CC(O)=C1F A32415 [0,2,0,0,0,0|0,0,0]=2 2275 B9R1.3 NC1=CC=CC(O)=C1N D43186 [0,2,0,0,0,0|0,0,0]=2 2276 B9R1.3 NC1=CC=NC(Cl)=C1Br B8887 [0,2,0,0,0,0|2,0,0]=4 2277 B9R1.3 NC1=CC=NC(Cl)=C1I C6267 [0,2,0,0,0,0|2,0,0]=4 2278 B9R1.3 NC1=CC=NC(F)=C1Br A10928 [0,2,0,0,0,0|2,0,0]=4 2279 B9R1.3 NC1=CN=CC(Br)=C1Cl B40709 [0,2,0,0,0,0|2,0,0]=4 2280 B9R1.3 NC1=CN=CC(Br)=C1N B14143 [0,2,0,0,0,0|2,0,0]=4 2281 B9R1.3 NC1=CN=CC(Br)=C1O A40913 [0,2,0,0,0,0|1,0,0]=3 2282 B9R1.3 NC1=CN=CC(Cl)=C1Cl D40723 [0,2,0,0,0,0|2,0,0]=4 2283 B9R1.3 NC1=CN=CC(Cl)=C1N C41072 [0,2,0,0,0,0|2,0,0]=4 2284 B9R1.3 NC1=CNC=C(Br)C1=O A40919 [0,2,0,0,0,0|1,0,1]=4 2285 B9R1.3 NC1=NC=CC(Br)=C1N B27081 [0,2,0,0,0,0|2,0,0]=4 2286 B9R1.3 NC1=NC=CC(Cl)=C1N D0349 [0,2,0,0,0,0|2,0,0]=4 2287 B9R1.3 NC1=NC=CC(I)=C1Cl C61208 [0,2,0,0,0,0|2,0,0]=4 2288 B9R1.3 O=C1C(O)=CNC=C1F F29530 [0,2,0,0,0,0|1,0,0]=3 2289 B9R1.3 O=C1NC=CC(O)=C1Br B40830 [0,2,0,0,0,0|1,0,0]=3 2290 B9R1.3 O=C1NC=NC(O)=C1F F1386 [0,2,0,0,0,0|2,0,0]=4 2291 B9R1.3 O=C1NC=NC(O)=C1I H40035 [0,2,0,0,0,0|2,0,0]=4 2292 B9R1.3 O=C1NN=CC(O)=C1Cl C40032 [0,2,0,0,0,0|2,0,0]=4 2293 B9R1.3 OC1=C(Br)C=CC=C1Br D68140 [0,2,0,0,0,0|0,0,0]=2 2294 B9R1.3 OC1=C(Br)C=CC=C1Cl B42339 [0,2,0,0,0,0|0,0,0]=2 2295 B9R1.3 OC1=C(Br)C=CC=C1F B36617 [0,2,0,0,0,0|0,0,0]=2 2296 B9R1.3 OC1=C(Br)C=NC=C1Cl B40658 [0,2,0,0,0,0|1,0,0]=3 2297 B9R1.3 OC1=C(Cl)C(Cl)=NC=C1 D40668 [0,2,0,0,0,0|1,0,0]=3 2298 B9R1.3 OC1=C(Cl)C=CC=C1F C68563 [0,2,0,0,0,0|0,0,0]=2 2299 B9R1.3 OC1=C(Cl)C=NC=C1Cl D40670 [0,2,0,0,0,0|1,0,0]=3 2300 B9R1.3 OC1=C(Cl)N=CN=C1Cl D39995 [0,2,0,0,0,0|2,0,0]=4 2301 B9R1.3 OC1=C(F)C(Br)=NC=C1 B63950 [0,2,0,0,0,0|1,0,0]=3 2302 B9R1.3 OC1=C(F)C(Cl)=NC=C1 C40680 [0,2,0,0,0,0|1,0,0]=3 2303 B9R1.3 OC1=C(F)C=CC=C1F D68585 [0,2,0,0,0,0|0,0,0]=2 2304 B9R1.3 OC1=C(I)C=CC=C1Cl C42360 [0,2,0,0,0,0|0,0,0]=2 2305 B9R1.3 OC1=C(I)C=CC=C1F F42368 [0,2,0,0,0,0|0,0,0]=2 2306 B9R1.3 OC1=C(I)C=CN=C1I D10751 [0,2,0,0,0,0|1,0,0]=3 2307 B9R1.3 OC1=C(I)C=NC=C1I D38823 [0,2,0,0,0,0|1,0,0]=3 2308 B9R1.3 OC1=CC=CC(Br)=C1Cl B38460 [0,2,0,0,0,0|0,0,0]=2 2309 B9R1.3 OC1=CC=CC(Br)=C1F B42344 [0,2,0,0,0,0|0,0,0]=2 2310 B9R1.3 OC1=CC=CC(Br)=C1I B42349 [0,2,0,0,0,0|0,0,0]=2 2311 B9R1.3 OC1=CC=CC(Br)=C1O B38186 [0,2,0,0,0,0|0,0,0]=2 2312 B9R1.3 OC1=CC=CC(Cl)=C1Br B42338 [0,2,0,0,0,0|0,0,0]=2 2313 B9R1.3 OC1=CC=CC(Cl)=C1F C42354 [0,2,0,0,0,0|0,0,0]=2 2314 B9R1.3 OC1=CC=CC(Cl)=C1I C42361 [0,2,0,0,0,0|0,0,0]=2 2315 B9R1.3 OC1=CC=CC(F)=C1Br B38692 [0,2,0,0,0,0|0,0,0]=2 2316 B9R1.3 OC1=CC=CC(F)=C1Cl C11181 [0,2,0,0,0,0|0,0,0]=2 2317 B9R1.3 OC1=CC=CC(F)=C1O F42701 [0,2,0,0,0,0|0,0,0]=2 2318 B9R1.3 OC1=CC=CC(I)=C1Br B62730 [0,2,0,0,0,0|0,0,0]=2 2319 B9R1.3 OC1=CC=CC(I)=C1Cl C39072 [0,2,0,0,0,0|0,0,0]=2 2320 B9R1.3 OC1=CC=CC(O)=C1Cl C38394 [0,2,0,0,0,0|0,0,0]=2 2321 B9R1.3 OC1=CC=CC(O)=C1F F42703 [0,2,0,0,0,0|0,0,0]=2 2322 B9R1.3 OC1=NC=NC(O)=C1Cl C40031 [0,2,0,0,0,0|2,0,0]=4 2323 B9R1.3 SC1=CC=CC(Cl)=C1Cl D62484 [0,2,0,0,0,0|0,1,0]=3 2324 B9R1.3 [O-][N+]1=C(Cl)C(Cl)=CC=C1 D40672 [0,2,0,0,0,0|1,0,1]=4 2325 B9R1.34 BrC1=CC(Br)=CC(I)=C1 D37942 [0,2,0,0,0,0|1,0,0]=3 2326 B9R1.34 BrC1=CC(Br)=NC(Br)=C1 P22573 [0,2,0,0,0,0|2,0,0]=4 2327 B9R1.34 BrC1=CC(I)=CC(I)=C1 B41795 [0,2,0,0,0,0|1,0,0]=3 2328 B9R1.34 CC1=CC(=O)C=C(C)N1 D4504 [0,2,0,0,0,0|1,0,1]=4 2329 B9R1.34 CC1=CC(=O)NC(O)=C1 H0016 [0,2,0,0,0,0|1,0,0]=3 2330 B9R1.34 CC1=CC(Br)=CC(Br)=C1 D39367 [0,2,0,0,0,0|1,0,0]=3 2331 B9R1.34 CC1=CC(Br)=CC(Br)=N1 D25404 [0,2,0,0,0,0|2,0,0]=4 2332 B9R1.34 CC1=CC(Br)=CC(C)=N1 B32225 [0,2,0,0,0,0|2,0,0]=4 2333 B9R1.34 CC1=CC(Br)=CC(Cl)=C1 B45157 [0,2,0,0,0,0|1,0,0]=3 2334 B9R1.34 CC1=CC(Br)=CC(Cl)=N1 B42535 [0,2,0,0,0,0|2,0,0]=4 2335 B9R1.34 CC1=CC(Br)=CC(F)=C1 B45167 [0,2,0,0,0,0|1,0,0]=3 2336 B9R1.34 CC1=CC(Br)=CC(F)=N1 B42552 [0,2,0,0,0,0|2,0,0]=4 2337 B9R1.34 CC1=CC(Br)=CC(N)=C1 B38464 [0,2,0,0,0,0|1,0,0]=3 2338 B9R1.34 CC1=CC(Br)=CC(N)=N1 B32094 [0,2,0,0,0,0|2,0,0]=4 2339 B9R1.34 CC1=CC(Br)=CC(O)=C1 B45949 [0,2,0,0,0,0|0,0,0]=2 2340 B9R1.34 CC1=CC(Br)=CC(O)=N1 B25850 [0,2,0,0,0,0|1,0,0]=3 2341 B9R1.34 CC1=CC(Br)=NC(Br)=C1 D25098 [0,2,0,0,0,0|2,0,0]=4 2342 B9R1.34 CC1=CC(Br)=NC(C)=C1 B23884 [0,2,0,0,0,0|2,0,0]=4 2343 B9R1.34 CC1=CC(Br)=NC(Cl)=C1 B42531 [0,2,0,0,0,0|2,0,0]=4 2344 B9R1.34 CC1=CC(Br)=NC(F)=C1 B42549 [0,2,0,0,0,0|2,0,0]=4 2345 B9R1.34 CC1=CC(Br)=NC(N)=C1 B25144 [0,2,0,0,0,0|2,0,0]=4 2346 B9R1.34 CC1=CC(C)=CC(Br)=C1 B39512 [0,2,0,0,0,0|1,0,0]=3 2347 B9R1.34 CC1=CC(C)=CC(F)=C1 D49162 [0,2,0,0,0,0|1,0,0]=3 2348 B9R1.34 CC1=CC(C)=CC([Mg+])=C1 D31739 [0,2,0,0,0,0|1,0,0]=3 2349 B9R1.34 CC1=CC(C)=NC(C)=C1 T69125 [0,2,0,0,0,0|2,0,0]=4 2350 B9R1.34 CC1=CC(Cl)=CC(C)=N1 C36740 [0,2,0,0,0,0|2,0,0]=4 2351 B9R1.34 CC1=CC(Cl)=CC(Cl)=C1 D61038 [0,2,0,0,0,0|1,0,0]=3 2352 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 D5517 [0,2,0,0,0,0|2,0,0]=4 2353 B9R1.34 CC1=CC(Cl)=CC(N)=C1 C46095 [0,2,0,0,0,0|1,0,0]=3 2354 B9R1.34 CC1=CC(Cl)=CC(N)=N1 A69246 [0,2,0,0,0,0|2,0,0]=4 2355 B9R1.34 CC1=CC(Cl)=CC(O)=C1 C45956 [0,2,0,0,0,0|0,0,0]=2 2356 B9R1.34 CC1=CC(Cl)=NC(C)=C1 C46101 [0,2,0,0,0,0|2,0,0]=4 2357 B9R1.34 CC1=CC(Cl)=NC(Cl)=C1 D4901 [0,2,0,0,0,0|2,0,0]=4 2358 B9R1.34 CC1=CC(Cl)=NC(N)=C1 C43000 [0,2,0,0,0,0|2,0,0]=4 2359 B9R1.34 CC1=CC(F)=CC(F)=C1 D45189 [0,2,0,0,0,0|1,0,0]=3 2360 B9R1.34 CC1=CC(F)=CC(F)=N1 D36881 [0,2,0,0,0,0|2,0,0]=4 2361 B9R1.34 CC1=CC(F)=CC(N)=C1 F46114 [0,2,0,0,0,0|1,0,0]=3 2362 B9R1.34 CC1=CC(F)=CC(O)=C1 F45961 [0,2,0,0,0,0|0,0,0]=2 2363 B9R1.34 CC1=CC(I)=CC(Cl)=N1 C42583 [0,2,0,0,0,0|2,0,0]=4 2364 B9R1.34 CC1=CC(I)=CC(F)=N1 F39127 [0,2,0,0,0,0|2,0,0]=4 2365 B9R1.34 CC1=CC(N)=CC(Br)=N1 B9374 [0,2,0,0,0,0|2,0,0]=4 2366 B9R1.34 CC1=CC(N)=CC(C)=N1 D3945 [0,2,0,0,0,0|2,0,0]=4 2367 B9R1.34 CC1=CC(N)=CC(Cl)=N1 C25407 [0,2,0,0,0,0|2,0,0]=4 2368 B9R1.34 CC1=CC(N)=NC(C)=C1 A43617 [0,2,0,0,0,0|2,0,0]=4 2369 B9R1.34 CC1=CC(N)=NC(N)=C1 M43334 [0,2,0,0,0,0|2,0,0]=4 2370 B9R1.34 CC1=CC(O)=CC(=O)N1 H43145 [0,2,0,0,0,0|1,0,0]=3 2371 B9R1.34 CC1=CC(O)=CC(N)=C1 A46373 [0,2,0,0,0,0|0,0,0]=2 2372 B9R1.34 CC1=CC(O)=CC(O)=C1 M46232 [0,2,0,0,0,0|0,0,0]=2 2373 B9R1.34 CC1=CC(O)=CC(O)=N1 M43137 [0,2,0,0,0,0|1,0,0]=3 2374 B9R1.34 CC1=CC(O)=CC(O)=N1 M43138 [0,2,0,0,0,0|1,0,0]=3 2375 B9R1.34 CC1=CC(O)=NC(C)=C1 D69531 [0,2,0,0,0,0|1,0,0]=3 2376 B9R1.34 CC1=CC(O)=NC(C)=N1 D43193 [0,2,0,0,0,0|2,0,0]=4 2377 B9R1.34 CC1=CC([Mg+])=CC(F)=C1 F31750 [0,2,0,0,0,0|1,0,0]=3 2378 B9R1.34 CC1=NC(O)=CC(O)=N1 D39176 [0,2,0,0,0,0|2,0,0]=4 2379 B9R1.34 ClC1=CC(Br)=CC(Br)=C1 D41771 [0,2,0,0,0,0|1,0,0]=3 2380 B9R1.34 ClC1=CC(Br)=CC(Cl)=N1 B26977 [0,2,0,0,0,0|2,0,0]=4 2381 B9R1.34 ClC1=CC(Br)=NC(Br)=C1 D37558 [0,2,0,0,0,0|2,0,0]=4 2382 B9R1.34 ClC1=CC(Cl)=CC(I)=C1 D38505 [0,2,0,0,0,0|1,0,0]=3 2383 B9R1.34 ClC1=CC(Cl)=NC(Cl)=C1 T11903 [0,2,0,0,0,0|2,0,0]=4 2384 B9R1.34 ClC1=CC(I)=CC(Br)=C1 B41785 [0,2,0,0,0,0|1,0,0]=3 2385 B9R1.34 ClC1=CC(I)=CC(Cl)=N1 D26978 [0,2,0,0,0,0|2,0,0]=4 2386 B9R1.34 FC1=CC(Br)=CC(Br)=C1 D39218 [0,2,0,0,0,0|1,0,0]=3 2387 B9R1.34 FC1=CC(Br)=CC(Cl)=C1 B39221 [0,2,0,0,0,0|1,0,0]=3 2388 B9R1.34 FC1=CC(Br)=CC(F)=N1 B67807 [0,2,0,0,0,0|2,0,0]=4 2389 B9R1.34 FC1=CC(Br)=NC(Br)=C1 D40501 [0,2,0,0,0,0|2,0,0]=4 2390 B9R1.34 FC1=CC(Cl)=CC(Cl)=C1 D41798 [0,2,0,0,0,0|1,0,0]=3 2391 B9R1.34 FC1=CC(Cl)=CC([Mg+])=C1 C31778 [0,2,0,0,0,0|1,0,0]=3 2392 B9R1.34 FC1=CC(F)=CC(Cl)=C1 C41804 [0,2,0,0,0,0|1,0,0]=3 2393 B9R1.34 FC1=CC(F)=CC(I)=C1 D22486 [0,2,0,0,0,0|1,0,0]=3 2394 B9R1.34 FC1=CC(F)=CC(S)=C1 D42065 [0,2,0,0,0,0|0,1,0]=3 2395 B9R1.34 FC1=CC(F)=CC([Mg+])=C1 D31754 [0,2,0,0,0,0|1,0,0]=3 2396 B9R1.34 FC1=CC(F)=NC(F)=C1 T0426 [0,2,0,0,0,0|2,0,0]=4 2397 B9R1.34 FC1=CC(I)=CC(Br)=C1 F69516 [0,2,0,0,0,0|1,0,0]=3 2398 B9R1.34 FC1=CC(I)=CC(F)=N1 D32098 [0,2,0,0,0,0|2,0,0]=4 2399 B9R1.34 IC1=CC(I)=CC(I)=C1 T41816 [0,2,0,0,0,0|1,0,0]=3 2400 B9R1.34 NC1=CC(=O)NC(F)=C1 A16281 [0,2,0,0,0,0|1,0,1]=4 2401 B9R1.34 NC1=CC(Br)=CC(Br)=C1 D42514 [0,2,0,0,0,0|1,0,0]=3 2402 B9R1.34 NC1=CC(Br)=CC(Br)=N1 D23567 [0,2,0,0,0,0|2,0,0]=4 2403 B9R1.34 NC1=CC(Br)=CC(Cl)=C1 B42527 [0,2,0,0,0,0|1,0,0]=3 2404 B9R1.34 NC1=CC(Br)=CC(Cl)=N1 B17448 [0,2,0,0,0,0|2,0,0]=4 2405 B9R1.34 NC1=CC(Br)=CC(F)=C1 B42543 [0,2,0,0,0,0|1,0,0]=3 2406 B9R1.34 NC1=CC(Br)=CC(N)=N1 B41056 [0,2,0,0,0,0|2,0,0]=4 2407 B9R1.34 NC1=CC(Br)=NC(Br)=C1 A4754 [0,2,0,0,0,0|2,0,0]=4 2408 B9R1.34 NC1=CC(Cl)=CC(Br)=N1 B40711 [0,2,0,0,0,0|2,0,0]=4 2409 B9R1.34 NC1=CC(Cl)=CC(Cl)=N1 A16893 [0,2,0,0,0,0|2,0,0]=4 2410 B9R1.34 NC1=CC(Cl)=CC(F)=C1 C42568 [0,2,0,0,0,0|1,0,0]=3 2411 B9R1.34 NC1=CC(Cl)=CC(O)=C1 A42899 [0,2,0,0,0,0|0,0,0]=2 2412 B9R1.34 NC1=CC(Cl)=NC(Cl)=C1 A13748 [0,2,0,0,0,0|2,0,0]=4 2413 B9R1.34 NC1=CC(F)=CC(F)=C1 D64902 [0,2,0,0,0,0|1,0,0]=3 2414 B9R1.34 NC1=CC(F)=NC(F)=C1 D40746 [0,2,0,0,0,0|2,0,0]=4 2415 B9R1.34 NC1=CC(I)=CC(Cl)=C1 C42579 [0,2,0,0,0,0|1,0,0]=3 2416 B9R1.34 NC1=CC(I)=CC(F)=C1 F42591 [0,2,0,0,0,0|1,0,0]=3 2417 B9R1.34 NC1=CC(N)=CC(Br)=C1 B42968 [0,2,0,0,0,0|1,0,0]=3 2418 B9R1.34 NC1=CC(N)=CC(Cl)=C1 C32228 [0,2,0,0,0,0|1,0,0]=3 2419 B9R1.34 NC1=CC(N)=CC(N)=C1 B43579 [0,2,0,0,0,0|1,0,0]=3 2420 B9R1.34 NC1=CC(O)=CC(O)=C1 A43537 [0,2,0,0,0,0|0,0,0]=2 2421 B9R1.34 NC1=CC(O)=NC(N)=N1 D61807 [0,2,0,0,0,0|2,0,0]=4 2422 B9R1.34 NC1=NC(S)=NC(O)=C1 A65183 [0,2,0,0,0,0|2,0,0]=4 2423 B9R1.34 O=C1C=C(Cl)C=C(Cl)N1 D40674 [0,2,0,0,0,0|1,0,1]=4 2424 B9R1.34 OC1=CC(Br)=CC(Br)=C1 D42337 [0,2,0,0,0,0|0,0,0]=2 2425 B9R1.34 OC1=CC(Br)=CC(Cl)=C1 B42341 [0,2,0,0,0,0|0,0,0]=2 2426 B9R1.34 OC1=CC(Br)=CC(F)=C1 B38432 [0,2,0,0,0,0|0,0,0]=2 2427 B9R1.34 OC1=CC(Br)=NC(Br)=C1 D40656 [0,2,0,0,0,0|1,0,0]=3 2428 B9R1.34 OC1=CC(Cl)=CC(Cl)=C1 D67591 [0,2,0,0,0,0|0,0,0]=2 2429 B9R1.34 OC1=CC(Cl)=CC(F)=C1 C42356 [0,2,0,0,0,0|0,0,0]=2 2430 B9R1.34 OC1=CC(Cl)=NC(Cl)=C1 D21790 [0,2,0,0,0,0|1,0,0]=3 2431 B9R1.34 OC1=CC(F)=CC(F)=C1 D42366 [0,2,0,0,0,0|0,0,0]=2 2432 B9R1.34 OC1=CC(I)=CC(Br)=C1 B42350 [0,2,0,0,0,0|0,0,0]=2 2433 B9R1.34 OC1=CC(O)=CC(Br)=C1 B42695 [0,2,0,0,0,0|0,0,0]=2 2434 B9R1.34 OC1=CC(O)=CC(F)=C1 F42704 [0,2,0,0,0,0|0,0,0]=2 2435 B9R1.34 OC1=CC(O)=NC([S-])=N1 S62440 [0,2,0,0,0,0|2,0,0]=4 2436 B9R1.34 [Mg+]C1=CC(Cl)=CC(Cl)=C1 D31795 [0,2,0,0,0,0|1,0,0]=3 2437 B9R2.50 C1=CC2=C(C=C1)CC2 B68912 [0,1,0,1,0,0|1,0,0]=3 2438 B5R1.1 C1=COC=N1 X1773 [1,0,0,0,1,0|2,0,0]=4 2439 B5R1.1 C1=CSC=N1 T0971 [1,0,0,0,1,0|2,0,0]=4 2440 B5R1.1 C1=CSN=C1 T39830 [1,0,0,0,1,0|2,0,0]=4