0 B7R1.3 BrC1=CN=NC=C1 85151 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 BrC1=CN=NN=C1 74040 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 BrC1=NC=NC=C1 54642 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 BrC1=NC=NC=C1 54644 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.3 ClC1=CN=CC=C1 P19758 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 ClC1=NN=CC=C1 57588 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.3 NC1=CC=CC=C1 T70935 [0,0,0,0,0,0|1,0,0]=1 7 B7R1.3 NC1=CC=CC=C1 T71037 [0,0,0,0,0,0|1,0,0]=1 8 B7R1.3 N[C@@H]1C=CCCC1 D84435 [0,0,0,0,0,0|1,0,3]=4 9 B7R1.3 O=C1C=CCCN1 88830 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.3 O=C1C=CCOC1 O10790 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.3 O=C1C=CNN=C1 D87946 [0,0,0,0,0,0|2,0,1]=3 12 B7R1.3 SC1=NC=CN=C1 F16108 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.3 [O-][N+]1=CC=NC=C1 O12055 [0,0,0,0,0,0|2,0,0]=2 14 B6R1.1 C1=CC=CC=C1 78158 [1,0,0,0,0,0|1,0,0]=2 15 B6R1.1 C1=CC=NC=C1 T72767 [1,0,0,0,0,0|0,0,0]=1 16 B6R1.1 C1=CN=NC=C1 C75894 [1,0,0,0,0,0|1,0,0]=2 17 B8R1.2 BrCC1=NC=NC=C1 Y10744 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.2 CCC1=NC=NC=C1 F17281 [0,1,0,0,0,0|2,0,0]=3 19 B8R1.2 CNC1=CN=CN=C1 Y10181 [0,1,0,0,0,0|3,0,0]=4 20 B8R1.2 CNC1=CN=NC=C1 A10648 [0,1,0,0,0,0|1,0,0]=2 21 B8R1.2 CNC1=NC=NC=C1 W10133 [0,1,0,0,0,0|1,0,0]=2 22 B8R1.2 COC1=NC=NC=C1 T72699 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.2 N#CC1=CN=NC=C1 37055 [0,1,0,0,0,0|1,0,1]=3 24 B8R1.2 N#CC1=NC=CC=C1 D77869 [0,1,0,0,0,0|2,0,1]=4 25 B8R1.2 NCC1=CC=CC=C1 RB3068 [0,1,0,0,0,0|1,0,0]=2 26 B8R1.2 NCC1=CC=CN=N1 36976 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.2 NCC1=CC=CN=N1 AT13034 [0,1,0,0,0,0|3,0,0]=4 28 B8R1.2 NCC1=CC=CN=N1 P15536 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.2 NCC1=CC=NC=C1 35876 [0,1,0,0,0,0|0,0,0]=1 30 B8R1.2 NCC1=CN=CN=C1 26963 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.2 NCC1=CN=NC=C1 27223 [0,1,0,0,0,0|1,0,0]=2 32 B8R1.2 NCC1=CN=NC=C1 36975 [0,1,0,0,0,0|1,0,0]=2 33 B8R1.2 NCC1=NC=CN=C1 67569 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.2 NNC1=CC=CN=C1 S12141 [0,1,0,0,0,0|2,0,0]=3 35 B8R1.2 NNC1=CN=CN=C1 AT18412 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.2 NNC1=NC=NC=C1 N12626 [0,1,0,0,0,0|1,0,0]=2 37 B8R1.2 O=CC1=NC=NC=C1 26359 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.2 OCC1=CN=NC=C1 37054 [0,1,0,0,0,0|2,0,0]=3 39 B8R1.2 SCC1=CC=NC=C1 F18336 [0,1,0,0,0,0|1,0,0]=2 40 B8R1.2 SCC1=CN=CC=C1 F18343 [0,1,0,0,0,0|3,0,0]=4 41 B8R1.2 SCC1=NC=CC=C1 Y10072 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [0,1,0,0,0,0|1,0,1]=3 43 B8R1.3 CC1=CN=C(N)C=N1 52044 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.3 CC1=CN=C(N)N=C1 51196 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.3 CC1=NC=C(I)C=C1 C10582 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.3 NC1=CC=C(O)C=C1 C75965 [0,1,0,0,0,0|1,0,0]=2 47 B8R1.3 NC1=CN=C(Br)N=C1 26764 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.3 NC1=CN=C(I)N=C1 P19402 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.3 NC1=CN=C(N)C=N1 C14950 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.3 NC1=CN=C(N)C=N1 F20076 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.3 NC1=NC=C(O)C=C1 BL008086 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.3 NC1=NC=C(O)C=N1 24754 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.3 NC1=NN=C(F)C=C1 C71319 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.3 NC1=NNC(=O)C=C1 A11691 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.3 SC1=CC=C(I)C=C1 F20637 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.3 [O-][N+]1=CC=C(F)C=C1 38173 [0,1,0,0,0,0|1,0,1]=3 57 B8R1.4 BrC1=CC(Br)=NN=C1 26403 [0,1,0,0,0,0|2,0,0]=3 58 B8R1.4 BrC1=NC=CC(I)=N1 81854 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.4 CC1=CC(=S)NC=C1 I11274 [0,1,0,0,0,0|1,0,1]=3 60 B8R1.4 CC1=CC(=S)NC=N1 C75430 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.4 CC1=CC=CC(I)=N1 S10876 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.4 CC1=CN=NC(=O)C1 78530 [0,1,0,0,0,0|2,0,1]=4 63 B8R1.4 CC1=NC=CC(I)=C1 25628 [0,1,0,0,0,0|1,0,0]=2 64 B8R1.4 CC1=NC=CC(N)=N1 25050 [0,1,0,0,0,0|1,0,0]=2 65 B8R1.4 ClC1=CC(Br)=CN=N1 P15413 [0,1,0,0,0,0|2,0,0]=3 66 B8R1.4 ClC1=CC(I)=CN=C1 C76473 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.4 ClC1=CC(I)=NC=C1 O11208 [0,1,0,0,0,0|1,0,0]=2 68 B8R1.4 ClC1=NC=CC(I)=N1 F50757 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.4 IC1=CC(I)=NC=N1 N10410 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.4 IC1=CN=CC(I)=C1 83196 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.4 NC1=CC(=O)COC1 P18321 [0,1,0,0,0,0|2,0,1]=4 72 B8R1.4 NC1=CC(Cl)=NN=C1 26681 [0,1,0,0,0,0|1,0,0]=2 73 B8R1.4 NC1=CC(I)=NC=N1 27194 [0,1,0,0,0,0|1,0,0]=2 74 B8R1.4 NC1=CC(N)=NC=C1 25421 [0,1,0,0,0,0|0,0,0]=1 75 B8R1.4 NC1=CC(O)=CN=C1 24928 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.4 NC1=CC(O)=CN=C1 26279 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.4 NC1=CC=CC(I)=N1 76368 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.4 NC1=CC=NC(F)=N1 90479 [0,1,0,0,0,0|1,0,0]=2 79 B8R1.4 NC1=CN=CC(N)=C1 26714 [0,1,0,0,0,0|2,0,0]=3 80 B8R1.4 NC1=CN=CC(N)=N1 30602 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.4 O=C1C=C(Br)NC=N1 F10443 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.4 O=C1N=C(Br)C=CN1 D96558 [0,1,0,0,0,0|2,0,1]=4 83 B8R1.4 O=C1N=CNC(=O)N1 F12722 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.4 OC1=CC(F)=NC=C1 26765 [0,1,0,0,0,0|1,0,0]=2 85 B8R1.4 OC1=CC=NC(Cl)=N1 29860 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.4 OC1=NC(S)=NN=C1 C75942 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.4 OC1=NC=CC(Cl)=N1 78049 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.4 OC1=NC=CC(F)=C1 22624 [0,1,0,0,0,0|1,0,0]=2 89 B8R1.4 SC1=CC(Br)=CN=C1 AT25650 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.5 BrC1=C(I)C=NC=C1 C76998 [0,1,0,0,0,0|1,0,0]=2 91 B8R1.5 CC1=C(Cl)C=NC=N1 F17326 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.5 CC1=C(F)C=CN=C1 F19730 [0,1,0,0,0,0|1,0,0]=2 93 B8R1.5 CC1=C(I)C=CC=N1 F19761 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.5 CC1=C(I)C=NC=C1 C74973 [0,1,0,0,0,0|1,0,0]=2 95 B8R1.5 CC1=C(I)C=NC=N1 27820 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.5 CC1=CC=NN=C1Br N13316 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.5 CC1=CC=NN=C1Cl 38744 [0,1,0,0,0,0|2,0,0]=3 98 B8R1.5 CC1=CN=CN=C1Br 27819 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.5 CC1=CN=CN=C1O 25833 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.5 CC1=NC=NC=C1N 25415 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.5 ClC1=CC=CN=C1I 68801 [0,1,0,0,0,0|3,0,0]=4 102 B8R1.5 ClC1=CC=NN=C1Cl 27407 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.5 ClC1=CN=CN=C1Cl 25142 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.5 FC1=CN=CN=C1Br 77431 [0,1,0,0,0,0|2,0,0]=3 105 B8R1.5 NC1=C(Br)C=NN=C1 FD10591 [0,1,0,0,0,0|1,0,0]=2 106 B8R1.5 NC1=C(Cl)C=NC=N1 26794 [0,1,0,0,0,0|1,0,0]=2 107 B8R1.5 NC1=C(Cl)C=NN=C1 P11076 [0,1,0,0,0,0|1,0,0]=2 108 B8R1.5 NC1=C(O)C=CN=N1 D83804 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.5 NC1=C(S)C=CN=C1 AT18151 [0,1,0,0,0,0|1,0,0]=2 110 B8R1.5 NC1=CC=CN=C1I RB1070 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.5 NC1=CC=NN=C1Cl 27714 [0,1,0,0,0,0|1,0,0]=2 112 B8R1.5 NC1=CN=CN=C1I C10176 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.5 NC1=CN=CN=C1N 65496 [0,1,0,0,0,0|1,0,0]=2 114 B8R1.5 NC1=CN=NC=C1N F10831 [0,1,0,0,0,0|1,0,0]=2 115 B8R1.5 NC1=NC=CN=C1Br 27472 [0,1,0,0,0,0|3,0,0]=4 116 B8R1.5 NC1=NC=CN=C1I 27241 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.5 NC1=[N+]([O-])C=CC=C1 T70263 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.5 O=C1NC=NC=C1O 25860 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.5 O=C1NC=NC=C1O C73082 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.5 OC1=C(Cl)C=NN=C1 F10592 [0,1,0,0,0,0|2,0,0]=3 121 B8R1.5 OC1=C(I)C=CC=N1 CS1389 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.5 OC1=C(I)C=CN=C1 25190 [0,1,0,0,0,0|1,0,0]=2 123 B8R1.5 OC1=C(I)C=NC=N1 25919 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.5 OC1=C(O)C=NC=C1 C14003 [0,1,0,0,0,0|1,0,0]=2 125 B8R1.5 SC1=C(Br)C=NC=C1 C12894 [0,1,0,0,0,0|1,0,0]=2 126 B6R1.2 BrC1=CNN=N1 72040 [0,0,0,0,1,0|3,0,0]=4 127 B6R1.2 BrC1=NC=CO1 N12756 [0,0,0,0,1,0|3,0,0]=4 128 B6R1.2 BrC1=NNN=C1 D83972 [0,0,0,0,1,0|3,0,0]=4 129 B6R1.2 BrC1=NSC=C1 27111 [0,0,0,0,1,0|3,0,0]=4 130 B6R1.2 CC1=CC=CN1 23756 [0,0,0,0,1,0|2,0,0]=3 131 B6R1.2 CC1=CNC=C1 59365 [0,0,0,0,1,0|1,0,1]=3 132 B6R1.2 CC1=CNN=C1 AT22811 [0,0,0,0,1,0|2,0,0]=3 133 B6R1.2 CC1=CNN=N1 27289 [0,0,0,0,1,0|3,0,0]=4 134 B6R1.2 CC1=COC=C1 W18310 [0,0,0,0,1,0|2,0,0]=3 135 B6R1.2 CC1=NNN=C1 D94600 [0,0,0,0,1,0|3,0,0]=4 136 B6R1.2 CC1=NOC=C1 35767 [0,0,0,0,1,0|3,0,0]=4 137 B6R1.2 CN1C=NN=C1 74688 [0,0,0,0,1,0|3,0,0]=4 138 B6R1.2 ClC1=CN=NS1 F18162 [0,0,0,0,1,0|3,0,0]=4 139 B6R1.2 ClC1=NC=CN1 71370 [0,0,0,0,1,0|3,0,0]=4 140 B6R1.2 ClC1=NN=CS1 F20631 [0,0,0,0,1,0|3,0,0]=4 141 B6R1.2 FC1=CC=NN1 P13416 [0,0,0,0,1,0|2,0,0]=3 142 B6R1.2 FC1=CN=CN1 71921 [0,0,0,0,1,0|2,0,0]=3 143 B6R1.2 FC1=CNN=C1 89373 [0,0,0,0,1,0|2,0,0]=3 144 B6R1.2 IC1=NC=CO1 38371 [0,0,0,0,1,0|3,0,0]=4 145 B6R1.2 NC1=CC=NO1 AB9529 [0,0,0,0,1,0|1,0,0]=2 146 B6R1.2 NC1=CC=NS1 S11666 [0,0,0,0,1,0|1,0,0]=2 147 B6R1.2 NC1=CN=CS1 52083 [0,0,0,0,1,0|1,0,0]=2 148 B6R1.2 NC1=CNC=C1 D82737 [0,0,0,0,1,0|0,0,1]=2 149 B6R1.2 NC1=CNC=N1 21115 [0,0,0,0,1,0|1,0,1]=3 150 B6R1.2 NC1=CNC=N1 52247 [0,0,0,0,1,0|1,0,1]=3 151 B6R1.2 NC1=CON=C1 F14139 [0,0,0,0,1,0|1,0,0]=2 152 B6R1.2 NC1=CSC=C1 D77326 [0,0,0,0,1,0|1,0,0]=2 153 B6R1.2 NC1=CSN=C1 83206 [0,0,0,0,1,0|1,0,0]=2 154 B6R1.2 NC1=CSN=C1 85313 [0,0,0,0,1,0|1,0,0]=2 155 B6R1.2 NN1C=CN=C1 C76661 [0,0,0,0,1,0|1,0,0]=2 156 B6R1.2 NN1C=CN=C1 Y10352 [0,0,0,0,1,0|1,0,0]=2 157 B6R1.2 NN1C=CN=N1 D72001 [0,0,0,0,1,0|2,0,0]=3 158 B6R1.2 NN1C=CN=N1 D72012 [0,0,0,0,1,0|2,0,0]=3 159 B6R1.2 O=C1C=CCN1 AC1277 [0,0,0,0,1,0|2,0,1]=4 160 B6R1.2 OC1=CNN=C1 76131 [0,0,0,0,1,0|2,0,0]=3 161 B6R1.2 OC1=NC=CS1 25638 [0,0,0,0,1,0|3,0,0]=4 162 B6R1.2 OC1=NC=NN1 D82632 [0,0,0,0,1,0|3,0,0]=4 163 B6R1.2 OC1=NOC=C1 W15437 [0,0,0,0,1,0|3,0,0]=4 164 B6R1.2 SC1=CC=CS1 23061 [0,0,0,0,1,0|2,0,0]=3 165 B6R1.2 SC1=CSC=C1 79297 [0,0,0,0,1,0|2,0,0]=3 166 B7R1.1 BrCC1=CC=NO1 33595 [0,1,0,0,1,0|2,0,0]=4 167 B7R1.1 BrCC1=CN=CO1 92893 [0,1,0,0,1,0|2,0,0]=4 168 B7R1.1 BrCC1=CON=C1 95088 [0,1,0,0,1,0|2,0,0]=4 169 B7R1.1 C#CC1=CNN=C1 P12226 [0,1,0,0,1,0|2,0,0]=4 170 B7R1.1 C=CC1=CC=CS1 C10114 [0,1,0,0,1,0|2,0,0]=4 171 B7R1.1 C=CC1=CN=CN1 D82417 [0,1,0,0,1,0|2,0,0]=4 172 B7R1.1 CCC1=CNN=C1 72604 [0,1,0,0,1,0|2,0,0]=4 173 B7R1.1 CNC1=NC=CO1 71780 [0,1,0,0,1,0|2,0,0]=4 174 B7R1.1 CNC1=NC=CS1 26158 [0,1,0,0,1,0|2,0,0]=4 175 B7R1.1 CNC1=NNC=C1 72540 [0,1,0,0,1,0|1,0,1]=4 176 B7R1.1 CNC1=NOC=C1 72015 [0,1,0,0,1,0|2,0,0]=4 177 B7R1.1 CNC1=NOC=C1 72539 [0,1,0,0,1,0|2,0,0]=4 178 B7R1.1 COC1=CNN=C1 79311 [0,1,0,0,1,0|2,0,0]=4 179 B7R1.1 CSC1=CN=CN1 W17049 [0,1,0,0,1,0|2,0,0]=4 180 B7R1.1 CSC1=CNN=C1 W10958 [0,1,0,0,1,0|2,0,0]=4 181 B7R1.1 ClCC1=CC=CS1 79790 [0,1,0,0,1,0|2,0,0]=4 182 B7R1.1 ClCC1=CC=NO1 33348 [0,1,0,0,1,0|2,0,0]=4 183 B7R1.1 ClCC1=CN=CO1 RB3366 [0,1,0,0,1,0|2,0,0]=4 184 B7R1.1 N#CC1=CC=NO1 F30844 [0,1,0,0,1,0|1,0,1]=4 185 B7R1.1 N#CC1=CON=C1 S11668 [0,1,0,0,1,0|1,0,1]=4 186 B7R1.1 N#CC1=CSN=C1 83210 [0,1,0,0,1,0|1,0,1]=4 187 B7R1.1 NCC1=CC=CN1 25931 [0,1,0,0,1,0|1,0,0]=3 188 B7R1.1 NCC1=CC=NO1 33343 [0,1,0,0,1,0|1,0,0]=3 189 B7R1.1 NCC1=CC=NO1 33364 [0,1,0,0,1,0|1,0,0]=3 190 B7R1.1 NCC1=CN=CS1 24148 [0,1,0,0,1,0|1,0,0]=3 191 B7R1.1 NCC1=CNC=C1 F12967 [0,1,0,0,1,0|0,0,1]=3 192 B7R1.1 NCC1=CNC=N1 26566 [0,1,0,0,1,0|1,0,1]=4 193 B7R1.1 NCC1=CNN=C1 37585 [0,1,0,0,1,0|1,0,0]=3 194 B7R1.1 NCC1=CNN=C1 37586 [0,1,0,0,1,0|1,0,0]=3 195 B7R1.1 NCC1=CNN=N1 20253 [0,1,0,0,1,0|2,0,0]=4 196 B7R1.1 NCC1=CNN=N1 D77245 [0,1,0,0,1,0|2,0,0]=4 197 B7R1.1 NCC1=COC=N1 25090 [0,1,0,0,1,0|2,0,0]=4 198 B7R1.1 NCC1=CON=C1 55763 [0,1,0,0,1,0|1,0,0]=3 199 B7R1.1 NCC1=CSC=N1 24147 [0,1,0,0,1,0|2,0,0]=4 200 B7R1.1 NCC1=CSC=N1 Y14444 [0,1,0,0,1,0|2,0,0]=4 201 B7R1.1 NCC1=NC=CN1 C72548 [0,1,0,0,1,0|2,0,0]=4 202 B7R1.1 NCC1=NN=CO1 S11004 [0,1,0,0,1,0|2,0,0]=4 203 B7R1.1 NCC1=NNC=C1 36190 [0,1,0,0,1,0|1,0,1]=4 204 B7R1.1 NCC1=NOC=C1 W10075 [0,1,0,0,1,0|2,0,0]=4 205 B7R1.1 NNC1=NC=CS1 C74550 [0,1,0,0,1,0|2,0,0]=4 206 B7R1.1 O=CC1=CC=C[Se]1 T72165 [0,1,0,0,1,0|2,0,0]=4 207 B7R1.1 O=CC1=CC=NS1 62852 [0,1,0,0,1,0|2,0,0]=4 208 B7R1.1 O=CC1=CCC=C1 77835 [0,1,0,0,1,0|1,0,1]=4 209 B7R1.1 O=CC1=CN=CO1 39069 [0,1,0,0,1,0|2,0,0]=4 210 B7R1.1 O=CC1=CON=C1 95893 [0,1,0,0,1,0|2,0,0]=4 211 B7R1.1 OCC1=CC=NO1 33580 [0,1,0,0,1,0|2,0,0]=4 212 B7R1.1 OCC1=CC=NS1 53001 [0,1,0,0,1,0|2,0,0]=4 213 B7R1.1 OCC1=CON=C1 73633 [0,1,0,0,1,0|2,0,0]=4 214 B7R1.1 OCC1=CSN=C1 83209 [0,1,0,0,1,0|2,0,0]=4 215 B7R1.1 OCN1C=CN=C1 F11598 [0,1,0,0,1,0|2,0,0]=4 216 B7R1.2 CC1=CC=C(Br)O1 C71939 [0,1,0,0,1,0|2,0,0]=4 217 B7R1.2 CC1=CN(C)C=N1 11615 [0,1,0,0,1,0|2,0,0]=4 218 B7R1.2 CC1=CN=C(N)O1 80158 [0,1,0,0,1,0|2,0,0]=4 219 B7R1.2 CC1=CN=C(N)S1 C13827 [0,1,0,0,1,0|2,0,0]=4 220 B7R1.2 CC1=CSC(Br)=C1 C15930 [0,1,0,0,1,0|2,0,0]=4 221 B7R1.2 CC1=CSC(C)=C1 O10605 [0,1,0,0,1,0|2,0,0]=4 222 B7R1.2 CC1=NC=C(Br)S1 29668 [0,1,0,0,1,0|2,0,0]=4 223 B7R1.2 CC1=NC=C(N)S1 80222 [0,1,0,0,1,0|1,0,0]=3 224 B7R1.2 CC1=NN=C(N)C1 D88133 [0,1,0,0,1,0|1,0,1]=4 225 B7R1.2 CC1=NN=C(N)O1 71460 [0,1,0,0,1,0|2,0,0]=4 226 B7R1.2 CC1=NOC(N)=N1 AT13650 [0,1,0,0,1,0|2,0,0]=4 227 B7R1.2 CN1C=C(N)N=N1 31768 [0,1,0,0,1,0|2,0,0]=4 228 B7R1.2 CN1C=C(N)N=N1 75215 [0,1,0,0,1,0|2,0,0]=4 229 B7R1.2 CN1C=C(O)C=N1 W16286 [0,1,0,0,1,0|2,0,0]=4 230 B7R1.2 CN1C=CC(N)=C1 O10425 [0,1,0,0,1,0|0,0,1]=3 231 B7R1.2 C[N+]1=CN(N)C=N1 32048 [0,1,0,0,1,0|2,0,0]=4 232 B7R1.2 ClC1=CN=C(Cl)S1 P13000 [0,1,0,0,1,0|2,0,0]=4 233 B7R1.2 NC1=CC(=O)CC1 90005 [0,1,0,0,1,0|0,0,2]=4 234 B7R1.2 NC1=CC(=O)NO1 D73552 [0,1,0,0,1,0|1,0,1]=4 235 B7R1.2 NC1=CC(N)=NN1 F12619 [0,1,0,0,1,0|1,0,0]=3 236 B7R1.2 NC1=CN=C(Br)S1 I11438 [0,1,0,0,1,0|1,0,0]=3 237 B7R1.2 NC1=NC(Br)=NS1 C13674 [0,1,0,0,1,0|2,0,0]=4 238 B7R1.2 NC1=NC(Cl)=CS1 F13356 [0,1,0,0,1,0|2,0,0]=4 239 B7R1.2 NC1=NC=C(F)S1 39196 [0,1,0,0,1,0|2,0,0]=4 240 B7R1.2 NC1=NN=C(N)S1 F10459 [0,1,0,0,1,0|2,0,0]=4 241 B7R1.2 NC1=NNC(Cl)=C1 P14071 [0,1,0,0,1,0|1,0,1]=4 242 B7R1.2 NC1=NNC(F)=C1 38194 [0,1,0,0,1,0|1,0,1]=4 243 B7R1.2 OC1=CC=C(Br)S1 C72253 [0,1,0,0,1,0|2,0,0]=4 244 B7R1.2 OC1=NSC(Cl)=C1 O11410 [0,1,0,0,1,0|2,0,0]=4 245 B7R1.4 BrC1=C(Br)NC=N1 W18398 [0,1,0,0,1,0|2,0,0]=4 246 B7R1.4 BrC1=C(I)SC=C1 C75822 [0,1,0,0,1,0|2,0,0]=4 247 B7R1.4 BrC1=NNC=C1I 39127 [0,1,0,0,1,0|2,0,0]=4 248 B7R1.4 CC1=C(Br)C=NO1 F19689 [0,1,0,0,1,0|2,0,0]=4 249 B7R1.4 CC1=C(C)NC=C1 F20873 [0,1,0,0,1,0|1,0,1]=4 250 B7R1.4 CC1=C(C)NC=N1 SC3541 [0,1,0,0,1,0|2,0,0]=4 251 B7R1.4 CC1=C(Cl)NC=N1 P16604 [0,1,0,0,1,0|2,0,0]=4 252 B7R1.4 CC1=C(N)C=NO1 D82481 [0,1,0,0,1,0|1,0,0]=3 253 B7R1.4 CC1=C(N)N=CN1 31730 [0,1,0,0,1,0|1,0,1]=4 254 B7R1.4 CC1=C(N)ON=C1 C74807 [0,1,0,0,1,0|1,0,0]=3 255 B7R1.4 CC1=C(N)SC=N1 P18586 [0,1,0,0,1,0|1,0,0]=3 256 B7R1.4 CC1=CNN=C1N 52526 [0,1,0,0,1,0|1,0,1]=4 257 B7R1.4 CC1=CON=C1N 72247 [0,1,0,0,1,0|2,0,0]=4 258 B7R1.4 CC1=CSC=C1N P10841 [0,1,0,0,1,0|1,0,0]=3 259 B7R1.4 CC1=NOC=C1N O11036 [0,1,0,0,1,0|1,0,0]=3 260 B7R1.4 CC1=NON=C1N F14552 [0,1,0,0,1,0|2,0,0]=4 261 B7R1.4 CC1=NSC=C1Br 20343 [0,1,0,0,1,0|2,0,0]=4 262 B7R1.4 CC1=NSC=C1N 75880 [0,1,0,0,1,0|1,0,0]=3 263 B7R1.4 CN1C=CN=C1I 23828 [0,1,0,0,1,0|2,0,0]=4 264 B7R1.4 CN1C=NC=C1N 27441 [0,1,0,0,1,0|1,0,0]=3 265 B7R1.4 CN1C=NC=C1N FD10512 [0,1,0,0,1,0|1,0,0]=3 266 B7R1.4 CN1C=NN=C1N D94510 [0,1,0,0,1,0|2,0,0]=4 267 B7R1.4 CN1C=NN=C1N O11264 [0,1,0,0,1,0|2,0,0]=4 268 B7R1.4 CN1N=NC=C1N 31834 [0,1,0,0,1,0|2,0,0]=4 269 B7R1.4 FC1=CNN=C1Br P18733 [0,1,0,0,1,0|2,0,0]=4 270 B7R1.4 NC1=CNN=C1Br C72502 [0,1,0,0,1,0|1,0,0]=3 271 B7R1.4 NC1=CNN=C1Cl F14377 [0,1,0,0,1,0|1,0,0]=3 272 B7R1.4 NC1=CSC=C1Br P15392 [0,1,0,0,1,0|1,0,0]=3 273 B7R1.4 NC1=NNC=C1Cl F17330 [0,1,0,0,1,0|1,0,1]=4 274 B9R1.5 NC1=CC=CC=CC1=O F11661 [0,1,0,0,0,1|1,0,0]=3 275 B9R1.1 C#CC1=CC=C(I)C=C1 F21257 [0,2,0,0,0,0|2,0,0]=4 276 B9R1.1 C#CC1=NC=C(N)C=C1 D83980 [0,2,0,0,0,0|2,0,0]=4 277 B9R1.1 CC1=CN=C(NN)C=C1 BL010291 [0,2,0,0,0,0|2,0,0]=4 278 B9R1.1 CC1=NC=C(CN)C=C1 72232 [0,2,0,0,0,0|2,0,0]=4 279 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [0,2,0,0,0,0|2,0,0]=4 280 B9R1.1 CNC1=CC=C(O)C=C1 D77985 [0,2,0,0,0,0|1,0,0]=3 281 B9R1.1 CNC1=CN=C(Br)C=C1 D86940 [0,2,0,0,0,0|2,0,0]=4 282 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [0,2,0,0,0,0|2,0,0]=4 283 B9R1.1 CNC1=NC=C(N)C=C1 C74450 [0,2,0,0,0,0|2,0,0]=4 284 B9R1.1 C[N+]1=CC=C(C=O)C=C1 D95156 [0,2,0,0,0,0|1,0,1]=4 285 B9R1.1 ClCC1=CC=C(I)C=C1 AB8901 [0,2,0,0,0,0|2,0,0]=4 286 B9R1.1 FCC1=CC=C(Br)C=C1 W10394 [0,2,0,0,0,0|2,0,0]=4 287 B9R1.1 N#CC1=CC=C(S)C=C1 F31167 [0,2,0,0,0,0|1,0,1]=4 288 B9R1.1 NC1=CN=C(C=O)C=C1 D77164 [0,2,0,0,0,0|2,0,0]=4 289 B9R1.1 NCC1=CC=C(O)C=C1 AC1832 [0,2,0,0,0,0|1,0,0]=3 290 B9R1.1 NCC1=CN=C(Br)C=C1 68600 [0,2,0,0,0,0|2,0,0]=4 291 B9R1.1 NCC1=CN=C(N)C=C1 F13784 [0,2,0,0,0,0|2,0,0]=4 292 B9R1.1 NCC1=CN=C(N)C=C1 P19117 [0,2,0,0,0,0|2,0,0]=4 293 B9R1.1 NCC1=NC=C(Br)C=C1 32062 [0,2,0,0,0,0|2,0,0]=4 294 B9R1.1 NCC1=NC=C(Cl)C=C1 W13681 [0,2,0,0,0,0|2,0,0]=4 295 B9R1.1 NCC1=NC=C(F)C=C1 70856 [0,2,0,0,0,0|2,0,0]=4 296 B9R1.1 NCC1=NC=C(N)C=C1 O11499 [0,2,0,0,0,0|2,0,0]=4 297 B9R1.1 NCC1=NC=C(N)C=C1 W11510 [0,2,0,0,0,0|2,0,0]=4 298 B9R1.1 NCC1=NC=C(O)C=C1 24338 [0,2,0,0,0,0|2,0,0]=4 299 B9R1.1 NNC1=CN=C(Cl)C=C1 H10944 [0,2,0,0,0,0|2,0,0]=4 300 B9R1.1 NNC1=CN=C(F)C=C1 73802 [0,2,0,0,0,0|2,0,0]=4 301 B9R1.1 NNC1=NC=C(F)C=C1 W17746 [0,2,0,0,0,0|2,0,0]=4 302 B9R1.1 OCC1=CC=C(S)C=C1 Y11017 [0,2,0,0,0,0|2,0,0]=4 303 B9R1.2 C#CC1=CC(=N)NC=C1 W17094 [0,2,0,0,0,0|1,0,1]=4 304 B9R1.2 C#CC1=CC(Br)=NC=C1 D82593 [0,2,0,0,0,0|1,0,0]=3 305 B9R1.2 C#CC1=CC=NC(N)=N1 39138 [0,2,0,0,0,0|2,0,0]=4 306 B9R1.2 C#CC1=NC=CC(N)=C1 72871 [0,2,0,0,0,0|0,0,0]=2 307 B9R1.2 C#CC1=NC=CC(N)=C1 C76101 [0,2,0,0,0,0|0,0,0]=2 308 B9R1.2 C=CC1=CC(Br)=NC=C1 60113 [0,2,0,0,0,0|1,0,0]=3 309 B9R1.2 C=CC1=CC(C)=CC=C1 F16162 [0,2,0,0,0,0|2,0,0]=4 310 B9R1.2 C=CC1=NC=CC(Br)=C1 C75345 [0,2,0,0,0,0|1,0,0]=3 311 B9R1.2 C=CC1=NC=CC(Cl)=C1 C77362 [0,2,0,0,0,0|1,0,0]=3 312 B9R1.2 C=CC1=NC=CC(N)=C1 D82535 [0,2,0,0,0,0|0,0,0]=2 313 B9R1.2 CC1=CC(C#N)=NN=C1 P12502 [0,2,0,0,0,0|2,0,0]=4 314 B9R1.2 CC1=CC(CCl)=NC=C1 25774 [0,2,0,0,0,0|1,0,0]=3 315 B9R1.2 CC1=CC(CCl)=NC=N1 F30459 [0,2,0,0,0,0|2,0,0]=4 316 B9R1.2 CC1=CC(CN)=NC=C1 72801 [0,2,0,0,0,0|1,0,0]=3 317 B9R1.2 CC1=CC(CN)=NC=C1 78899 [0,2,0,0,0,0|1,0,0]=3 318 B9R1.2 CC1=CC(CO)=NC=N1 38642 [0,2,0,0,0,0|2,0,0]=4 319 B9R1.2 CC1=CC(CO)=NN=C1 F30430 [0,2,0,0,0,0|2,0,0]=4 320 B9R1.2 CC1=CC(NN)=NC=C1 BL010278 [0,2,0,0,0,0|1,0,0]=3 321 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [0,2,0,0,0,0|2,0,0]=4 322 B9R1.2 CC1=CC=CC(NN)=N1 W17082 [0,2,0,0,0,0|2,0,0]=4 323 B9R1.2 CC1=CC=NC(C#N)=N1 20318 [0,2,0,0,0,0|2,0,0]=4 324 B9R1.2 CC1=CC=NC(CN)=N1 72797 [0,2,0,0,0,0|2,0,0]=4 325 B9R1.2 CC1=CC=NC(CO)=N1 38635 [0,2,0,0,0,0|2,0,0]=4 326 B9R1.2 CC1=CN=CC(CN)=C1 72799 [0,2,0,0,0,0|2,0,0]=4 327 B9R1.2 CC1=NC=CC(CBr)=C1 D80184 [0,2,0,0,0,0|1,0,0]=3 328 B9R1.2 CC1=NC=CC(CN)=C1 72809 [0,2,0,0,0,0|0,0,0]=2 329 B9R1.2 CC1=NC=CC(CO)=N1 90609 [0,2,0,0,0,0|2,0,0]=4 330 B9R1.2 CCC1=CC(=O)NC=N1 F13915 [0,2,0,0,0,0|2,0,0]=4 331 B9R1.2 CCC1=CC(Cl)=NC=N1 F17302 [0,2,0,0,0,0|2,0,0]=4 332 B9R1.2 CCC1=CC=NC(Cl)=N1 30656 [0,2,0,0,0,0|2,0,0]=4 333 B9R1.2 CCC1=NC=CC(Br)=C1 S10560 [0,2,0,0,0,0|1,0,0]=3 334 B9R1.2 CCC1=NC=CC(O)=N1 W12565 [0,2,0,0,0,0|2,0,0]=4 335 B9R1.2 CNC1=CC(Br)=NC=C1 CS1908 [0,2,0,0,0,0|0,0,0]=2 336 B9R1.2 CNC1=CC(N)=CC=C1 36494 [0,2,0,0,0,0|1,0,0]=3 337 B9R1.2 CNC1=CC=NC(Br)=N1 D80192 [0,2,0,0,0,0|1,0,0]=3 338 B9R1.2 CNC1=NC=CC(Br)=C1 32749 [0,2,0,0,0,0|1,0,0]=3 339 B9R1.2 CNC1=NC=CC(Cl)=N1 24763 [0,2,0,0,0,0|2,0,0]=4 340 B9R1.2 CNC1=NC=CC(N)=C1 27435 [0,2,0,0,0,0|0,0,0]=2 341 B9R1.2 COC1=CC(=O)NC=C1 25837 [0,2,0,0,0,0|1,0,1]=4 342 B9R1.2 COC1=CC(Br)=NC=N1 C76202 [0,2,0,0,0,0|2,0,0]=4 343 B9R1.2 COC1=CC(Cl)=CN=N1 E70128 [0,2,0,0,0,0|2,0,0]=4 344 B9R1.2 COC1=CC(F)=NC=N1 D83389 [0,2,0,0,0,0|2,0,0]=4 345 B9R1.2 COC1=NC(C)=CC=N1 C72586 [0,2,0,0,0,0|2,0,0]=4 346 B9R1.2 COC1=NC(C)=NC=C1 73836 [0,2,0,0,0,0|2,0,0]=4 347 B9R1.2 COC1=NC(O)=CC=N1 Y10376 [0,2,0,0,0,0|2,0,0]=4 348 B9R1.2 COC1=NC=CC(Br)=N1 25350 [0,2,0,0,0,0|2,0,0]=4 349 B9R1.2 COC1=NC=NC(C)=C1 H10028 [0,2,0,0,0,0|2,0,0]=4 350 B9R1.2 CSC1=CC(Br)=NC=N1 C71732 [0,2,0,0,0,0|2,0,0]=4 351 B9R1.2 CSC1=CC(F)=CC=C1 A12732 [0,2,0,0,0,0|2,0,0]=4 352 B9R1.2 CSC1=CC(O)=CC=C1 W12966 [0,2,0,0,0,0|2,0,0]=4 353 B9R1.2 CSC1=NC(N)=CC=C1 W18184 [0,2,0,0,0,0|2,0,0]=4 354 B9R1.2 ClC1=NC=CC(CBr)=C1 A10561 [0,2,0,0,0,0|1,0,0]=3 355 B9R1.2 ClCC1=CC=NC(Cl)=N1 P10955 [0,2,0,0,0,0|2,0,0]=4 356 B9R1.2 ClCC1=NC=CC(Cl)=C1 AC1913 [0,2,0,0,0,0|1,0,0]=3 357 B9R1.2 ClCC1=NC=CC(Cl)=N1 F19722 [0,2,0,0,0,0|2,0,0]=4 358 B9R1.2 FC1=CC(CBr)=NC=C1 AC8874 [0,2,0,0,0,0|1,0,0]=3 359 B9R1.2 N#CC1=CC=NC(Br)=N1 C71733 [0,2,0,0,0,0|1,0,1]=4 360 B9R1.2 N#CC1=NC(N)=CC=N1 CS1383 [0,2,0,0,0,0|1,0,0]=3 361 B9R1.2 N#CC1=NC(N)=NC=C1 26573 [0,2,0,0,0,0|1,0,1]=4 362 B9R1.2 N#CC1=NC=CC(Cl)=N1 71853 [0,2,0,0,0,0|2,0,0]=4 363 B9R1.2 N#CC1=NC=CC(O)=C1 C75263 [0,2,0,0,0,0|1,0,0]=3 364 B9R1.2 N#[N+]C1=CC=CC(Br)=C1 98381 [0,2,0,0,0,0|1,0,1]=4 365 B9R1.2 NC1=CC(CO)=CN=C1 20770 [0,2,0,0,0,0|2,0,0]=4 366 B9R1.2 NC1=CC(CO)=NC=C1 AC1095 [0,2,0,0,0,0|0,0,0]=2 367 B9R1.2 NC1=CC=CC(C=O)=C1 CK2096 [0,2,0,0,0,0|1,0,0]=3 368 B9R1.2 NC1=CC=CC(C=O)=N1 D70565 [0,2,0,0,0,0|2,0,0]=4 369 B9R1.2 NC1=CC=CC(CF)=C1 32172 [0,2,0,0,0,0|1,0,0]=3 370 B9R1.2 NC1=CC=NC(CCl)=N1 Y10182 [0,2,0,0,0,0|1,0,0]=3 371 B9R1.2 NC1=NC=CC(CBr)=C1 W11110 [0,2,0,0,0,0|1,0,0]=3 372 B9R1.2 NCC1=CC(Br)=CN=C1 Y14573 [0,2,0,0,0,0|2,0,0]=4 373 B9R1.2 NCC1=CC(Cl)=CN=C1 29807 [0,2,0,0,0,0|2,0,0]=4 374 B9R1.2 NCC1=CC(Cl)=NC=C1 71552 [0,2,0,0,0,0|0,0,0]=2 375 B9R1.2 NCC1=CC(F)=NC=C1 73765 [0,2,0,0,0,0|0,0,0]=2 376 B9R1.2 NCC1=CC=CC(=O)N1 78897 [0,2,0,0,0,0|2,0,0]=4 377 B9R1.2 NCC1=CC=CC(Br)=N1 CS1515 [0,2,0,0,0,0|2,0,0]=4 378 B9R1.2 NCC1=CC=CC(Cl)=N1 C73611 [0,2,0,0,0,0|2,0,0]=4 379 B9R1.2 NCC1=CC=CC(F)=N1 25846 [0,2,0,0,0,0|2,0,0]=4 380 B9R1.2 NCC1=CC=CC(N)=N1 H10329 [0,2,0,0,0,0|2,0,0]=4 381 B9R1.2 NCC1=CC=C[N+]([O-])=C1 W12624 [0,2,0,0,0,0|2,0,0]=4 382 B9R1.2 NCC1=NC=CC(Br)=C1 26881 [0,2,0,0,0,0|1,0,0]=3 383 B9R1.2 NCC1=NC=CC(Br)=C1 P17869 [0,2,0,0,0,0|1,0,0]=3 384 B9R1.2 NCC1=NC=CC(Cl)=C1 P18502 [0,2,0,0,0,0|1,0,0]=3 385 B9R1.2 NCC1=NC=CC(Cl)=C1 Y12031 [0,2,0,0,0,0|1,0,0]=3 386 B9R1.2 NNC1=CC(O)=NC=C1 W16830 [0,2,0,0,0,0|0,0,0]=2 387 B9R1.2 O=C1C=C(CCl)C=CN1 AT18186 [0,2,0,0,0,0|1,0,1]=4 388 B9R1.2 O=C1C=C(CO)C=CN1 37365 [0,2,0,0,0,0|1,0,1]=4 389 B9R1.2 O=CC1=CC(Br)=NC=N1 D70857 [0,2,0,0,0,0|2,0,0]=4 390 B9R1.2 O=CC1=CC=NC(Cl)=N1 P10948 [0,2,0,0,0,0|2,0,0]=4 391 B9R1.2 O=CC1=NC=CC(O)=C1 W18365 [0,2,0,0,0,0|1,0,0]=3 392 B9R1.2 O=CC1=NC=NC(O)=C1 82364 [0,2,0,0,0,0|2,0,0]=4 393 B9R1.2 OCC1=CC(Cl)=NC=N1 59934 [0,2,0,0,0,0|2,0,0]=4 394 B9R1.2 OCC1=CC=NC(Cl)=N1 F53087 [0,2,0,0,0,0|2,0,0]=4 395 B9R1.2 OCC1=NC=CC(I)=C1 W18502 [0,2,0,0,0,0|1,0,0]=3 396 B9R1.2 OCC1=NC=CC(O)=C1 O10524 [0,2,0,0,0,0|1,0,0]=3 397 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [0,2,0,0,0,0|1,0,0]=3 398 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [0,2,0,0,0,0|2,0,0]=4 399 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [0,2,0,0,0,0|2,0,0]=4 400 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [0,2,0,0,0,0|2,0,0]=4 401 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [0,2,0,0,0,0|2,0,0]=4 402 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [0,2,0,0,0,0|2,0,0]=4 403 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [0,2,0,0,0,0|0,0,0]=2 404 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [0,2,0,0,0,0|0,0,0]=2 405 B9R1.6 C[C@H](N)C1=CN=NC=C1 37052 [0,2,0,0,0,0|1,0,0]=3 406 B9R1.6 N=C(N)C1=NC=CC=C1 71518 [0,2,0,0,0,0|2,0,0]=4 407 B9R1.6 NC(=O)C1=CN=NC=C1 F14288 [0,2,0,0,0,0|1,0,0]=3 408 B9R1.6 NC(=O)C1=NC=NC=C1 C74468 [0,2,0,0,0,0|1,0,0]=3 409 B9R1.6 OB(O)C1=NC=NC=C1 29744 [0,2,0,0,0,0|2,0,0]=4 410 B9R1.8 BrC#CC1=CC=CC=C1 A51120 [0,2,0,0,0,0|2,0,0]=4 411 B9R1.8 BrCCC1=CC=NC=C1 C71689 [0,2,0,0,0,0|1,0,0]=3 412 B9R1.8 CCNC1=CC=CN=C1 C15578 [0,2,0,0,0,0|2,0,0]=4 413 B9R1.8 CNCC1=CC=NC=C1 AR1712 [0,2,0,0,0,0|0,0,0]=2 414 B9R1.8 CNCC1=CN=NC=C1 P16258 [0,2,0,0,0,0|1,0,0]=3 415 B9R1.8 ClCCC1=CC=NC=C1 O11064 [0,2,0,0,0,0|1,0,0]=3 416 B9R1.8 N#CCC1=CN=NC=C1 37056 [0,2,0,0,0,0|1,0,1]=4 417 B9R1.8 NCCC1=NC=NC=C1 P18517 [0,2,0,0,0,0|1,0,0]=3 418 B9R1.8 NNCC1=CC=CN=C1 78930 [0,2,0,0,0,0|2,0,0]=4 419 B9R1.8 NNCC1=CC=NC=C1 37009 [0,2,0,0,0,0|0,0,0]=2 420 B9R1.8 NNCC1=CC=NC=C1 BL009189 [0,2,0,0,0,0|0,0,0]=2 421 B9R1.8 NNCC1=NC=CC=C1 78929 [0,2,0,0,0,0|2,0,0]=4 422 B9R1.8 NOCC1=CN=CC=C1 AC6038 [0,2,0,0,0,0|2,0,0]=4 423 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [0,2,0,0,0,0|1,0,0]=3 424 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [0,2,0,0,0,0|1,0,1]=4 425 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [0,2,0,0,0,0|1,0,1]=4 426 B9R1.15 C#CC1=C(Cl)C=NC=C1 79083 [0,2,0,0,0,0|1,0,0]=3 427 B9R1.15 C#CC1=C(N)C=CN=C1 C71943 [0,2,0,0,0,0|0,0,0]=2 428 B9R1.15 C=CC1=C(N)C=CC=C1 25265 [0,2,0,0,0,0|1,0,0]=3 429 B9R1.15 CC1=C(C=O)C=CN=C1 AB10090 [0,2,0,0,0,0|1,0,0]=3 430 B9R1.15 CC1=C(CCl)C=NC=C1 C72783 [0,2,0,0,0,0|1,0,0]=3 431 B9R1.15 CC1=C(CCl)C=NC=N1 F31172 [0,2,0,0,0,0|2,0,0]=4 432 B9R1.15 CC1=C(CO)C=NC=C1 38669 [0,2,0,0,0,0|1,0,0]=3 433 B9R1.15 CC1=C(NN)C=CN=C1 F15970 [0,2,0,0,0,0|0,0,0]=2 434 B9R1.15 CC1=CC=CN=C1CN C72913 [0,2,0,0,0,0|2,0,0]=4 435 B9R1.15 CC1=NC=CC=C1CN 72802 [0,2,0,0,0,0|2,0,0]=4 436 B9R1.15 CC1=NC=CC=C1CN AB7634 [0,2,0,0,0,0|2,0,0]=4 437 B9R1.15 CCC1=C(Br)C=CN=C1 38064 [0,2,0,0,0,0|1,0,0]=3 438 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [0,2,0,0,0,0|2,0,0]=4 439 B9R1.15 CCC1=CC=CN=C1N 55791 [0,2,0,0,0,0|2,0,0]=4 440 B9R1.15 CCC1=CC=NN=C1Cl S11385 [0,2,0,0,0,0|2,0,0]=4 441 B9R1.15 CCC1=CC=NNC1=O S11452 [0,2,0,0,0,0|2,0,0]=4 442 B9R1.15 CNC1=C(Br)C=NC=N1 27470 [0,2,0,0,0,0|1,0,0]=3 443 B9R1.15 CNC1=C(C)C=CN=C1 C12398 [0,2,0,0,0,0|1,0,0]=3 444 B9R1.15 CNC1=C(I)C=NC=C1 D83398 [0,2,0,0,0,0|0,0,0]=2 445 B9R1.15 CNC1=C(N)C=CN=C1 F51691 [0,2,0,0,0,0|0,0,0]=2 446 B9R1.15 CNC1=C(N)C=NC=C1 C73540 [0,2,0,0,0,0|0,0,0]=2 447 B9R1.15 CNC1=CC=CN=C1N 94808 [0,2,0,0,0,0|2,0,0]=4 448 B9R1.15 CNC1=NC=CC=C1N 72351 [0,2,0,0,0,0|2,0,0]=4 449 B9R1.15 COC1=C(Br)C=CN=C1 26564 [0,2,0,0,0,0|1,0,0]=3 450 B9R1.15 COC1=C(Br)C=NC=N1 H10144 [0,2,0,0,0,0|2,0,0]=4 451 B9R1.15 COC1=C(I)C=CN=C1 D82954 [0,2,0,0,0,0|1,0,0]=3 452 B9R1.15 COC1=C(I)C=NC=N1 C74109 [0,2,0,0,0,0|2,0,0]=4 453 B9R1.15 COC1=C(N)C=CN=C1 35474 [0,2,0,0,0,0|0,0,0]=2 454 B9R1.15 COC1=C(O)C=NC=C1 79066 [0,2,0,0,0,0|1,0,0]=3 455 B9R1.15 COC1=NC=NC=C1N 24306 [0,2,0,0,0,0|2,0,0]=4 456 B9R1.15 COC1=NC=NC=C1N 36696 [0,2,0,0,0,0|2,0,0]=4 457 B9R1.15 CSC1=C(N)C=CN=C1 W16024 [0,2,0,0,0,0|0,0,0]=2 458 B9R1.15 ClCC1=C(Br)C=NC=C1 32531 [0,2,0,0,0,0|1,0,0]=3 459 B9R1.15 FC1=C(CCl)C=CN=C1 72889 [0,2,0,0,0,0|1,0,0]=3 460 B9R1.15 N#CC1=C(Br)C=CN=C1 55794 [0,2,0,0,0,0|1,0,0]=3 461 B9R1.15 N#CC1=C(Br)C=NC=N1 37336 [0,2,0,0,0,0|1,0,1]=4 462 B9R1.15 N#CC1=C(N)N=NC=C1 32449 [0,2,0,0,0,0|1,0,1]=4 463 B9R1.15 N#CC1=CNC=CC1=O 88910 [0,2,0,0,0,0|1,0,1]=4 464 B9R1.15 NC1=C(C=O)C=NC=N1 66183 [0,2,0,0,0,0|1,0,0]=3 465 B9R1.15 NC1=C(CO)C=CN=C1 F13531 [0,2,0,0,0,0|1,0,0]=3 466 B9R1.15 NC1=C(CO)C=NC=C1 28348 [0,2,0,0,0,0|0,0,0]=2 467 B9R1.15 NC1=CC=CN=C1C=O 80155 [0,2,0,0,0,0|2,0,0]=4 468 B9R1.15 NC1=CC=CN=C1CO H10562 [0,2,0,0,0,0|2,0,0]=4 469 B9R1.15 NCC1=C(Br)C=CC=N1 N13373 [0,2,0,0,0,0|2,0,0]=4 470 B9R1.15 NCC1=C(Br)C=CC=N1 Y13366 [0,2,0,0,0,0|2,0,0]=4 471 B9R1.15 NCC1=C(Br)C=CN=C1 F30244 [0,2,0,0,0,0|1,0,0]=3 472 B9R1.15 NCC1=C(Br)C=NC=C1 O10077 [0,2,0,0,0,0|0,0,0]=2 473 B9R1.15 NCC1=C(Cl)C=CC=N1 20194 [0,2,0,0,0,0|2,0,0]=4 474 B9R1.15 NCC1=C(Cl)C=CN=C1 73185 [0,2,0,0,0,0|1,0,0]=3 475 B9R1.15 NCC1=C(Cl)C=NC=C1 D79765 [0,2,0,0,0,0|0,0,0]=2 476 B9R1.15 NCC1=C(Cl)C=NC=C1 F50132 [0,2,0,0,0,0|0,0,0]=2 477 B9R1.15 NCC1=C(F)C=CC=N1 37501 [0,2,0,0,0,0|2,0,0]=4 478 B9R1.15 NCC1=C(F)C=CC=N1 71993 [0,2,0,0,0,0|2,0,0]=4 479 B9R1.15 NCC1=C(F)C=CC=N1 P10857 [0,2,0,0,0,0|2,0,0]=4 480 B9R1.15 NCC1=C(F)C=NC=C1 26837 [0,2,0,0,0,0|0,0,0]=2 481 B9R1.15 NCC1=C(F)C=NC=C1 78901 [0,2,0,0,0,0|0,0,0]=2 482 B9R1.15 NCC1=C(I)C=CC=C1 C75019 [0,2,0,0,0,0|1,0,0]=3 483 B9R1.15 NCC1=CC=CN=C1Br D82416 [0,2,0,0,0,0|2,0,0]=4 484 B9R1.15 NCC1=CC=CN=C1Cl 51113 [0,2,0,0,0,0|2,0,0]=4 485 B9R1.15 NCC1=CC=CN=C1N 89358 [0,2,0,0,0,0|2,0,0]=4 486 B9R1.15 NCC1=CC=CN=C1O 55767 [0,2,0,0,0,0|2,0,0]=4 487 B9R1.15 NCC1=NC=CC=C1N AC4283 [0,2,0,0,0,0|2,0,0]=4 488 B9R1.15 NNC1=C(Br)C=NC=C1 C13755 [0,2,0,0,0,0|0,0,0]=2 489 B9R1.15 NNC1=C(Cl)C=NC=N1 D72722 [0,2,0,0,0,0|1,0,0]=3 490 B9R1.15 NNC1=C(F)C=CC=N1 F20903 [0,2,0,0,0,0|2,0,0]=4 491 B9R1.15 NNC1=C(I)C=CC=C1 C75827 [0,2,0,0,0,0|1,0,0]=3 492 B9R1.15 O=CC1=C(Br)C=CN=C1 P16584 [0,2,0,0,0,0|1,0,0]=3 493 B9R1.15 O=CC1=C(Cl)C=CC=C1 D77644 [0,2,0,0,0,0|2,0,0]=4 494 B9R1.15 O=CC1=C(O)C=CN=C1 P10968 [0,2,0,0,0,0|1,0,0]=3 495 B9R1.15 O=CC1=C(O)C=NC=C1 25615 [0,2,0,0,0,0|1,0,0]=3 496 B9R1.15 OCC1=C(Br)C=CN=C1 71972 [0,2,0,0,0,0|1,0,0]=3 497 B9R1.15 OCC1=C(F)C=CN=C1 P15839 [0,2,0,0,0,0|1,0,0]=3 498 B9R1.15 OCC1=C(O)C=NC=C1 D84251 [0,2,0,0,0,0|1,0,0]=3 499 B9R1.69 BrC1=CC(Br)=NN=C1Br 20203 [0,2,0,0,0,0|2,0,0]=4 500 B9R1.69 BrC1=CC(I)=C(Br)C=N1 53803 [0,2,0,0,0,0|1,0,0]=3 501 B9R1.69 CC1=C(Br)C=C(F)N=C1 C14400 [0,2,0,0,0,0|1,0,0]=3 502 B9R1.69 CC1=C(Br)C=C(N)N=C1 72100 [0,2,0,0,0,0|1,0,0]=3 503 B9R1.69 CC1=C(Br)C=NC(Br)=N1 C10140 [0,2,0,0,0,0|2,0,0]=4 504 B9R1.69 CC1=C(C)N=C(Cl)N=C1 P17845 [0,2,0,0,0,0|2,0,0]=4 505 B9R1.69 CC1=C(C)N=C(N)C=C1 C75720 [0,2,0,0,0,0|2,0,0]=4 506 B9R1.69 CC1=C(Cl)C=C(N)N=C1 C71138 [0,2,0,0,0,0|1,0,0]=3 507 B9R1.69 CC1=C(Cl)C=NC(Cl)=N1 27156 [0,2,0,0,0,0|2,0,0]=4 508 B9R1.69 CC1=C(Cl)C=NC(I)=N1 D94466 [0,2,0,0,0,0|2,0,0]=4 509 B9R1.69 CC1=C(Cl)C=NC(N)=N1 P11958 [0,2,0,0,0,0|2,0,0]=4 510 B9R1.69 CC1=C(Cl)C=NC(O)=C1 C76951 [0,2,0,0,0,0|1,0,0]=3 511 B9R1.69 CC1=C(F)C=C(Cl)C=C1 D77788 [0,2,0,0,0,0|2,0,0]=4 512 B9R1.69 CC1=C(F)C=C(N)C=N1 D70662 [0,2,0,0,0,0|2,0,0]=4 513 B9R1.69 CC1=C(F)C=CC(Br)=C1 AC7936 [0,2,0,0,0,0|2,0,0]=4 514 B9R1.69 CC1=C(F)C=NC(Br)=N1 D97342 [0,2,0,0,0,0|2,0,0]=4 515 B9R1.69 CC1=C(F)C=NC(Cl)=N1 27377 [0,2,0,0,0,0|2,0,0]=4 516 B9R1.69 CC1=C(I)C=C(N)N=C1 72489 [0,2,0,0,0,0|1,0,0]=3 517 B9R1.69 CC1=C(I)C=NC(Br)=C1 I10152 [0,2,0,0,0,0|1,0,0]=3 518 B9R1.69 CC1=C(I)C=NC(F)=C1 22752 [0,2,0,0,0,0|1,0,0]=3 519 B9R1.69 CC1=C(N)C=CC(N)=C1 D87687 [0,2,0,0,0,0|1,0,0]=3 520 B9R1.69 CC1=C(N)C=NC(Cl)=N1 80814 [0,2,0,0,0,0|2,0,0]=4 521 B9R1.69 CC1=C(N)NC(=O)N=C1 26036 [0,2,0,0,0,0|1,0,0]=3 522 B9R1.69 CC1=C(O)C=C(I)C=C1 D76555 [0,2,0,0,0,0|2,0,0]=4 523 B9R1.69 CC1=C(O)C=CC(S)=C1 63544 [0,2,0,0,0,0|2,0,0]=4 524 B9R1.69 CC1=C(O)C=NC(Cl)=N1 P14645 [0,2,0,0,0,0|2,0,0]=4 525 B9R1.69 CC1=CC(=O)N=NC1=O F53166 [0,2,0,0,0,0|2,0,0]=4 526 B9R1.69 CC1=CC(=S)N(O)C=C1 D80842 [0,2,0,0,0,0|1,0,1]=4 527 B9R1.69 CC1=CC(Br)=C(Br)C=N1 A51123 [0,2,0,0,0,0|1,0,0]=3 528 B9R1.69 CC1=CC(Br)=C(C)C=N1 N13082 [0,2,0,0,0,0|1,0,0]=3 529 B9R1.69 CC1=CC(Br)=C(Cl)C=N1 P17115 [0,2,0,0,0,0|1,0,0]=3 530 B9R1.69 CC1=CC(Br)=C(Cl)C=N1 P17937 [0,2,0,0,0,0|1,0,0]=3 531 B9R1.69 CC1=CC(Br)=C(F)C=N1 C71771 [0,2,0,0,0,0|1,0,0]=3 532 B9R1.69 CC1=CC(Br)=C(O)C=N1 53715 [0,2,0,0,0,0|1,0,0]=3 533 B9R1.69 CC1=CC(Br)=NN=C1Br F30298 [0,2,0,0,0,0|2,0,0]=4 534 B9R1.69 CC1=CC(Br)=NN=C1Cl P19529 [0,2,0,0,0,0|2,0,0]=4 535 B9R1.69 CC1=CC(C)=C(Br)C=N1 W18180 [0,2,0,0,0,0|1,0,0]=3 536 B9R1.69 CC1=CC(C)=NN=C1Cl 37531 [0,2,0,0,0,0|2,0,0]=4 537 B9R1.69 CC1=CC(C)=NNC1=O P10153 [0,2,0,0,0,0|2,0,0]=4 538 B9R1.69 CC1=CC(Cl)=C(Br)C=N1 39191 [0,2,0,0,0,0|1,0,0]=3 539 B9R1.69 CC1=CC(Cl)=C(C)C=N1 O11204 [0,2,0,0,0,0|1,0,0]=3 540 B9R1.69 CC1=CC(Cl)=C(F)C=N1 P20444 [0,2,0,0,0,0|1,0,0]=3 541 B9R1.69 CC1=CC(Cl)=C(N)C=N1 F52035 [0,2,0,0,0,0|1,0,0]=3 542 B9R1.69 CC1=CC(Cl)=NN=C1C 24353 [0,2,0,0,0,0|2,0,0]=4 543 B9R1.69 CC1=CC(Cl)=[N+]([O-])C=C1 AB6864 [0,2,0,0,0,0|1,0,1]=4 544 B9R1.69 CC1=CC(F)=CN=C1N 27788 [0,2,0,0,0,0|2,0,0]=4 545 B9R1.69 CC1=CC(I)=C(Br)C=C1 T71407 [0,2,0,0,0,0|2,0,0]=4 546 B9R1.69 CC1=CC(I)=C(N)N=C1 I10161 [0,2,0,0,0,0|2,0,0]=4 547 B9R1.69 CC1=CC(N)=C(Br)C=N1 24320 [0,2,0,0,0,0|0,0,0]=2 548 B9R1.69 CC1=CC(N)=C(Cl)C=N1 AC2062 [0,2,0,0,0,0|0,0,0]=2 549 B9R1.69 CC1=CC(N)=C(F)C=N1 31394 [0,2,0,0,0,0|0,0,0]=2 550 B9R1.69 CC1=CC(N)=C(I)C=N1 C76714 [0,2,0,0,0,0|0,0,0]=2 551 B9R1.69 CC1=CC(O)=C(Br)C=N1 C72039 [0,2,0,0,0,0|1,0,0]=3 552 B9R1.69 CC1=CC(O)=CN=C1N 72099 [0,2,0,0,0,0|2,0,0]=4 553 B9R1.69 CC1=CC=C(N)C(I)=N1 C71773 [0,2,0,0,0,0|2,0,0]=4 554 B9R1.69 CC1=CC=C(N)N=C1N N13200 [0,2,0,0,0,0|2,0,0]=4 555 B9R1.69 CC1=CN=C(Br)C=C1Br F11640 [0,2,0,0,0,0|1,0,0]=3 556 B9R1.69 CC1=CN=C(Br)C=C1Cl F11669 [0,2,0,0,0,0|1,0,0]=3 557 B9R1.69 CC1=CN=C(Br)C=C1F D70629 [0,2,0,0,0,0|1,0,0]=3 558 B9R1.69 CC1=CN=C(Br)C=C1N 79079 [0,2,0,0,0,0|0,0,0]=2 559 B9R1.69 CC1=CN=C(C)C(N)=C1 P11581 [0,2,0,0,0,0|2,0,0]=4 560 B9R1.69 CC1=CN=C(C)C=C1N W13730 [0,2,0,0,0,0|0,0,0]=2 561 B9R1.69 CC1=CN=C(C)N=C1Cl C16332 [0,2,0,0,0,0|2,0,0]=4 562 B9R1.69 CC1=CN=C(C)N=C1N 32026 [0,2,0,0,0,0|1,0,0]=3 563 B9R1.69 CC1=CN=C(F)C=C1N D83156 [0,2,0,0,0,0|0,0,0]=2 564 B9R1.69 CC1=CN=C(N)C(C)=C1 S10186 [0,2,0,0,0,0|2,0,0]=4 565 B9R1.69 CC1=CN=C(N)C=C1C F18079 [0,2,0,0,0,0|1,0,0]=3 566 B9R1.69 CC1=CN=C(N)N=C1Br O11187 [0,2,0,0,0,0|2,0,0]=4 567 B9R1.69 CC1=CN=C(N)N=C1O F19190 [0,2,0,0,0,0|2,0,0]=4 568 B9R1.69 CC1=NC(C)=C(Br)C=N1 S10258 [0,2,0,0,0,0|2,0,0]=4 569 B9R1.69 CC1=NC(C)=C(Cl)C=N1 AT11427 [0,2,0,0,0,0|2,0,0]=4 570 B9R1.69 CC1=NC(C)=C(O)C=N1 72557 [0,2,0,0,0,0|2,0,0]=4 571 B9R1.69 CC1=NC(Cl)=C(Br)C=N1 P11032 [0,2,0,0,0,0|2,0,0]=4 572 B9R1.69 CC1=NC(N)=C(Br)C=N1 C74246 [0,2,0,0,0,0|1,0,0]=3 573 B9R1.69 CC1=NC(N)=C(Cl)C=N1 C75179 [0,2,0,0,0,0|1,0,0]=3 574 B9R1.69 CC1=NC(N)=C(F)C=N1 C72634 [0,2,0,0,0,0|1,0,0]=3 575 B9R1.69 CC1=NC(N)=C(I)C=C1 65855 [0,2,0,0,0,0|2,0,0]=4 576 B9R1.69 CC1=NC(N)=C(O)C=C1 25163 [0,2,0,0,0,0|2,0,0]=4 577 B9R1.69 CC1=NC(O)=C(Br)C=N1 25539 [0,2,0,0,0,0|2,0,0]=4 578 B9R1.69 CC1=NC(O)=C(Cl)C=N1 I11731 [0,2,0,0,0,0|2,0,0]=4 579 B9R1.69 CC1=NC(O)=C(F)C=N1 25762 [0,2,0,0,0,0|2,0,0]=4 580 B9R1.69 CC1=NC=C(F)C=C1N D96784 [0,2,0,0,0,0|2,0,0]=4 581 B9R1.69 CC1=NN=C(Cl)C=C1Cl D82608 [0,2,0,0,0,0|2,0,0]=4 582 B9R1.69 CC1=NNC(=O)C(Br)=C1 22926 [0,2,0,0,0,0|2,0,0]=4 583 B9R1.69 CC1=NNC(=O)C(N)=C1 P10094 [0,2,0,0,0,0|1,0,0]=3 584 B9R1.69 CC1=[N+]([O-])C=CC(Br)=C1 58524 [0,2,0,0,0,0|1,0,1]=4 585 B9R1.69 CN1C=CC(=O)C(O)=C1 O11011 [0,2,0,0,0,0|1,0,1]=4 586 B9R1.69 CN1C=CC(I)=CC1=O W16774 [0,2,0,0,0,0|1,0,1]=4 587 B9R1.69 CN1C=CC(N)=NC1=O CS1032 [0,2,0,0,0,0|1,0,1]=4 588 B9R1.69 CN1C=CC(O)=CC1=O 32621 [0,2,0,0,0,0|1,0,1]=4 589 B9R1.69 CN1C=NC(Cl)=CC1=O 26623 [0,2,0,0,0,0|2,0,0]=4 590 B9R1.69 ClC1=CC(Br)=C(Br)C=N1 D75402 [0,2,0,0,0,0|1,0,0]=3 591 B9R1.69 ClC1=CC(Br)=C(Cl)C=N1 36009 [0,2,0,0,0,0|1,0,0]=3 592 B9R1.69 ClC1=CC(Br)=C(Cl)N=N1 26448 [0,2,0,0,0,0|2,0,0]=4 593 B9R1.69 ClC1=CC(Br)=NC=C1Br C71140 [0,2,0,0,0,0|1,0,0]=3 594 B9R1.69 ClC1=CN=C(Br)C=C1Cl C71139 [0,2,0,0,0,0|1,0,0]=3 595 B9R1.69 ClC1=CN=C(Cl)N=C1I AC2987 [0,2,0,0,0,0|2,0,0]=4 596 B9R1.69 FC1=C(Br)C=C(Cl)N=C1 22600 [0,2,0,0,0,0|1,0,0]=3 597 B9R1.69 FC1=C(Br)C=NC(Cl)=C1 O11361 [0,2,0,0,0,0|1,0,0]=3 598 B9R1.69 FC1=C(I)C=C(Cl)C=C1 D76847 [0,2,0,0,0,0|2,0,0]=4 599 B9R1.69 FC1=C(I)C=NC(Cl)=C1 W11410 [0,2,0,0,0,0|1,0,0]=3 600 B9R1.69 FC1=CC(Br)=C(F)C=N1 W17979 [0,2,0,0,0,0|1,0,0]=3 601 B9R1.69 FC1=CC(Cl)=C(F)C=N1 C76731 [0,2,0,0,0,0|1,0,0]=3 602 B9R1.69 FC1=CC(Cl)=NN=C1Cl P13006 [0,2,0,0,0,0|2,0,0]=4 603 B9R1.69 FC1=CC(F)=C(I)C=N1 FD10678 [0,2,0,0,0,0|1,0,0]=3 604 B9R1.69 FC1=CN=C(Br)C=C1Br N11824 [0,2,0,0,0,0|1,0,0]=3 605 B9R1.69 FC1=CN=C(Cl)C=C1Cl F30640 [0,2,0,0,0,0|1,0,0]=3 606 B9R1.69 FC1=CN=C(Cl)N=C1Br D81652 [0,2,0,0,0,0|2,0,0]=4 607 B9R1.69 NC1=C(Br)C=C(F)N=C1 D79622 [0,2,0,0,0,0|1,0,0]=3 608 B9R1.69 NC1=C(Br)C=C(O)C=N1 AC2117 [0,2,0,0,0,0|2,0,0]=4 609 B9R1.69 NC1=C(Br)C=CC(Br)=C1 AB9018 [0,2,0,0,0,0|1,0,0]=3 610 B9R1.69 NC1=C(Br)C=CC(Br)=N1 AC1724 [0,2,0,0,0,0|2,0,0]=4 611 B9R1.69 NC1=C(Br)C=CC(F)=N1 33206 [0,2,0,0,0,0|2,0,0]=4 612 B9R1.69 NC1=C(Br)C=NC(Cl)=C1 22670 [0,2,0,0,0,0|0,0,0]=2 613 B9R1.69 NC1=C(Br)C=NC(F)=C1 37637 [0,2,0,0,0,0|0,0,0]=2 614 B9R1.69 NC1=C(F)C=C(S)C=C1 AC4437 [0,2,0,0,0,0|1,0,0]=3 615 B9R1.69 NC1=C(F)C=CC(Br)=N1 S10296 [0,2,0,0,0,0|2,0,0]=4 616 B9R1.69 NC1=C(F)C=CC(F)=N1 C10743 [0,2,0,0,0,0|2,0,0]=4 617 B9R1.69 NC1=C(F)N=C(Br)C=C1 F20849 [0,2,0,0,0,0|2,0,0]=4 618 B9R1.69 NC1=C(F)N=C(I)C=C1 80825 [0,2,0,0,0,0|2,0,0]=4 619 B9R1.69 NC1=C(I)C=C(Cl)N=C1 C15647 [0,2,0,0,0,0|1,0,0]=3 620 B9R1.69 NC1=C(I)C=NC(Br)=C1 W15293 [0,2,0,0,0,0|0,0,0]=2 621 B9R1.69 NC1=C(I)C=NC(Cl)=N1 24470 [0,2,0,0,0,0|1,0,0]=3 622 B9R1.69 NC1=C(N)N=C(Cl)N=C1 66486 [0,2,0,0,0,0|1,0,0]=3 623 B9R1.69 NC1=C(O)C=CC(Cl)=N1 83945 [0,2,0,0,0,0|2,0,0]=4 624 B9R1.69 NC1=C(O)C=CC(O)=C1 D82359 [0,2,0,0,0,0|1,0,0]=3 625 B9R1.69 NC1=C(S)C=C(Br)C=C1 83378 [0,2,0,0,0,0|1,0,0]=3 626 B9R1.69 NC1=CC(Br)=C(Br)C=N1 27104 [0,2,0,0,0,0|1,0,0]=3 627 B9R1.69 NC1=CC(Br)=C(I)C=N1 36509 [0,2,0,0,0,0|1,0,0]=3 628 B9R1.69 NC1=CC(Br)=NC=C1Br F31109 [0,2,0,0,0,0|0,0,0]=2 629 B9R1.69 NC1=CC(Br)=NC=C1F S10141 [0,2,0,0,0,0|0,0,0]=2 630 B9R1.69 NC1=CC(Br)=NC=C1O AC2756 [0,2,0,0,0,0|0,0,0]=2 631 B9R1.69 NC1=CC(Cl)=NC=C1O C14679 [0,2,0,0,0,0|0,0,0]=2 632 B9R1.69 NC1=CC(F)=C(Cl)C=N1 C72569 [0,2,0,0,0,0|1,0,0]=3 633 B9R1.69 NC1=CC(F)=C(F)C=C1 D77855 [0,2,0,0,0,0|1,0,0]=3 634 B9R1.69 NC1=CC(F)=C(F)C=N1 82058 [0,2,0,0,0,0|1,0,0]=3 635 B9R1.69 NC1=CC(F)=C(I)C=N1 C73286 [0,2,0,0,0,0|1,0,0]=3 636 B9R1.69 NC1=CC(F)=C(N)C=C1 O10786 [0,2,0,0,0,0|1,0,0]=3 637 B9R1.69 NC1=CC(F)=CN=C1Br 22580 [0,2,0,0,0,0|2,0,0]=4 638 B9R1.69 NC1=CC(F)=CN=C1Cl 28131 [0,2,0,0,0,0|2,0,0]=4 639 B9R1.69 NC1=CC(F)=NC=C1F F31110 [0,2,0,0,0,0|0,0,0]=2 640 B9R1.69 NC1=CC(I)=C(Cl)C=N1 56810 [0,2,0,0,0,0|1,0,0]=3 641 B9R1.69 NC1=CC(I)=C(F)C=N1 P15421 [0,2,0,0,0,0|1,0,0]=3 642 B9R1.69 NC1=CC(N)=C(Br)C=C1 34773 [0,2,0,0,0,0|1,0,0]=3 643 B9R1.69 NC1=CC(N)=C(Br)C=N1 26611 [0,2,0,0,0,0|0,0,0]=2 644 B9R1.69 NC1=CC(O)=C(F)C=C1 53863 [0,2,0,0,0,0|1,0,0]=3 645 B9R1.69 NC1=CC(O)=C(N)C=C1 Y10783 [0,2,0,0,0,0|1,0,0]=3 646 B9R1.69 NC1=CC=C(Br)C(I)=N1 76247 [0,2,0,0,0,0|2,0,0]=4 647 B9R1.69 NC1=CC=C(Br)N=C1I C77125 [0,2,0,0,0,0|2,0,0]=4 648 B9R1.69 NC1=CC=C(Cl)N=C1I 75745 [0,2,0,0,0,0|2,0,0]=4 649 B9R1.69 NC1=CC=C(Cl)NC1=S N16923 [0,2,0,0,0,0|2,0,0]=4 650 B9R1.69 NC1=CC=C(F)C(Br)=N1 84492 [0,2,0,0,0,0|2,0,0]=4 651 B9R1.69 NC1=CC=C(F)N=C1F F30297 [0,2,0,0,0,0|2,0,0]=4 652 B9R1.69 NC1=CC=C(N)C(Br)=N1 D70612 [0,2,0,0,0,0|2,0,0]=4 653 B9R1.69 NC1=CN=C(Br)C(Br)=C1 25893 [0,2,0,0,0,0|2,0,0]=4 654 B9R1.69 NC1=CN=C(Br)C=C1N CS1476 [0,2,0,0,0,0|0,0,0]=2 655 B9R1.69 NC1=CN=C(Cl)C(F)=C1 W12189 [0,2,0,0,0,0|2,0,0]=4 656 B9R1.69 NC1=CN=C(Cl)C(N)=C1 C75644 [0,2,0,0,0,0|2,0,0]=4 657 B9R1.69 NC1=CN=C(Cl)C=C1F P12282 [0,2,0,0,0,0|1,0,0]=3 658 B9R1.69 NC1=CN=C(Cl)C=C1O O11344 [0,2,0,0,0,0|1,0,0]=3 659 B9R1.69 NC1=CN=C(F)C(F)=C1 W12191 [0,2,0,0,0,0|2,0,0]=4 660 B9R1.69 NC1=CN=C(F)C=C1F D82706 [0,2,0,0,0,0|1,0,0]=3 661 B9R1.69 NC1=CN=C(F)C=C1N CS1368 [0,2,0,0,0,0|0,0,0]=2 662 B9R1.69 NC1=CN=C(N)C=C1N H10391 [0,2,0,0,0,0|0,0,0]=2 663 B9R1.69 NC1=NC(=O)NC=C1Cl H10210 [0,2,0,0,0,0|1,0,1]=4 664 B9R1.69 NC1=NC(Cl)=C(I)C=C1 W17873 [0,2,0,0,0,0|2,0,0]=4 665 B9R1.69 NC1=NC(Cl)=C(I)C=N1 P12784 [0,2,0,0,0,0|2,0,0]=4 666 B9R1.69 NC1=NC(F)=C(Cl)C=C1 Y14647 [0,2,0,0,0,0|2,0,0]=4 667 B9R1.69 NC1=NC(N)=C(I)C=C1 71808 [0,2,0,0,0,0|2,0,0]=4 668 B9R1.69 NC1=NC(N)=C(I)C=N1 H10115 [0,2,0,0,0,0|1,0,0]=3 669 B9R1.69 NC1=NC(N)=C(O)C=N1 C72621 [0,2,0,0,0,0|1,0,0]=3 670 B9R1.69 NC1=NC(O)=C(Br)C=N1 25083 [0,2,0,0,0,0|2,0,0]=4 671 B9R1.69 NC1=NC(O)=C(F)C=N1 W11740 [0,2,0,0,0,0|2,0,0]=4 672 B9R1.69 NC1=NC=C(Cl)C(=O)N1 C16622 [0,2,0,0,0,0|2,0,0]=4 673 B9R1.69 NC1=NC=C(F)C=C1O F12177 [0,2,0,0,0,0|2,0,0]=4 674 B9R1.69 NC1=NC=C(I)C(=O)N1 C13417 [0,2,0,0,0,0|2,0,0]=4 675 B9R1.69 NC1=NN=C(Cl)C=C1Cl H11087 [0,2,0,0,0,0|2,0,0]=4 676 B9R1.69 O=C1C=C(Br)C(F)=CN1 A11415 [0,2,0,0,0,0|1,0,1]=4 677 B9R1.69 O=C1C=CC(=O)C(Br)=C1 T70875 [0,2,0,0,0,0|2,0,0]=4 678 B9R1.69 O=C1NC(Cl)=NC=C1I P18191 [0,2,0,0,0,0|2,0,0]=4 679 B9R1.69 OC1=C(Cl)N=C(Cl)N=C1 P18567 [0,2,0,0,0,0|2,0,0]=4 680 B9R1.69 OC1=C(F)C=CC(I)=C1 26402 [0,2,0,0,0,0|2,0,0]=4 681 B9R1.69 OC1=C(I)C=C(Cl)N=C1 W12390 [0,2,0,0,0,0|1,0,0]=3 682 B9R1.69 OC1=CC(Br)=C(I)C=C1 A11846 [0,2,0,0,0,0|2,0,0]=4 683 B9R1.69 OC1=CC(Cl)=C(Cl)C=N1 29162 [0,2,0,0,0,0|1,0,0]=3 684 B9R1.69 OC1=CC(Cl)=NN=C1Cl 36564 [0,2,0,0,0,0|2,0,0]=4 685 B9R1.69 OC1=CC(F)=C(I)C=C1 36664 [0,2,0,0,0,0|2,0,0]=4 686 B9R1.69 OC1=CC(I)=C(Cl)C=N1 W17867 [0,2,0,0,0,0|1,0,0]=3 687 B9R1.69 OC1=CC(I)=C(F)C=N1 W16947 [0,2,0,0,0,0|1,0,0]=3 688 B9R1.69 OC1=CN=C(F)C=C1F 70871 [0,2,0,0,0,0|1,0,0]=3 689 B9R1.3 BrC1=CN=CC(Br)=C1Br I10241 [0,2,0,0,0,0|1,0,0]=3 690 B9R1.3 CC1=C(Br)C=CN=C1Cl 27325 [0,2,0,0,0,0|1,0,0]=3 691 B9R1.3 CC1=C(Br)C=CN=C1N S10229 [0,2,0,0,0,0|1,0,0]=3 692 B9R1.3 CC1=C(Br)C=NC=C1Cl C72047 [0,2,0,0,0,0|1,0,0]=3 693 B9R1.3 CC1=C(Br)C=NC=C1O AC5971 [0,2,0,0,0,0|1,0,0]=3 694 B9R1.3 CC1=C(C)C(Br)=NC=C1 N10835 [0,2,0,0,0,0|1,0,0]=3 695 B9R1.3 CC1=C(C)C(Cl)=NC=N1 H10268 [0,2,0,0,0,0|2,0,0]=4 696 B9R1.3 CC1=C(C)C(N)=NC=C1 Y10702 [0,2,0,0,0,0|1,0,0]=3 697 B9R1.3 CC1=C(C)C(N)=NC=N1 C75559 [0,2,0,0,0,0|1,0,0]=3 698 B9R1.3 CC1=C(Cl)C(Br)=NC=C1 C76922 [0,2,0,0,0,0|1,0,0]=3 699 B9R1.3 CC1=C(Cl)C=CN=C1Br P17567 [0,2,0,0,0,0|1,0,0]=3 700 B9R1.3 CC1=C(Cl)C=CN=C1N C71886 [0,2,0,0,0,0|1,0,0]=3 701 B9R1.3 CC1=C(F)C=CN=C1N D70937 [0,2,0,0,0,0|1,0,0]=3 702 B9R1.3 CC1=C(F)N=CN=C1F C73530 [0,2,0,0,0,0|2,0,0]=4 703 B9R1.3 CC1=C(I)C(=O)N=CN1 H10358 [0,2,0,0,0,0|2,0,0]=4 704 B9R1.3 CC1=C(I)C=CNC1=O W18300 [0,2,0,0,0,0|1,0,1]=4 705 B9R1.3 CC1=C(N)C(Cl)=NC=N1 C77000 [0,2,0,0,0,0|2,0,0]=4 706 B9R1.3 CC1=C(N)N=CN=C1F C73531 [0,2,0,0,0,0|1,0,0]=3 707 B9R1.3 CC1=C(O)C(Br)=NC=C1 C71875 [0,2,0,0,0,0|1,0,0]=3 708 B9R1.3 CC1=C(O)C(Cl)=NC=C1 36409 [0,2,0,0,0,0|1,0,0]=3 709 B9R1.3 CC1=C(O)C=CNC1=O D94824 [0,2,0,0,0,0|1,0,1]=4 710 B9R1.3 CC1=CC=CC(I)=C1Br CL9287 [0,2,0,0,0,0|2,0,0]=4 711 B9R1.3 CC1=CC=CC(I)=C1Cl D82348 [0,2,0,0,0,0|2,0,0]=4 712 B9R1.3 CC1=CC=CC(I)=C1F 55203 [0,2,0,0,0,0|2,0,0]=4 713 B9R1.3 CC1=CC=NC(C)=C1Br C10200 [0,2,0,0,0,0|1,0,0]=3 714 B9R1.3 CC1=CC=NC(N)=C1F 22700 [0,2,0,0,0,0|1,0,0]=3 715 B9R1.3 CC1=CN=CC(C)=C1Br 52045 [0,2,0,0,0,0|1,0,0]=3 716 B9R1.3 CC1=CN=CC(C)=C1Cl AB6822 [0,2,0,0,0,0|1,0,0]=3 717 B9R1.3 CC1=CN=CC(C)=C1I 52056 [0,2,0,0,0,0|1,0,0]=3 718 B9R1.3 CC1=CN=CC(Cl)=C1N 27804 [0,2,0,0,0,0|0,0,0]=2 719 B9R1.3 CC1=CN=CC(F)=C1N 93260 [0,2,0,0,0,0|0,0,0]=2 720 B9R1.3 CC1=CN=CC(I)=C1N F12221 [0,2,0,0,0,0|0,0,0]=2 721 B9R1.3 CC1=CN=CC(N)=C1N 26396 [0,2,0,0,0,0|0,0,0]=2 722 B9R1.3 CC1=NC=CC(Br)=C1Cl AC1900 [0,2,0,0,0,0|1,0,0]=3 723 B9R1.3 CC1=NC=CC(Br)=C1F O11181 [0,2,0,0,0,0|1,0,0]=3 724 B9R1.3 CC1=NC=CC(Br)=C1F S12180 [0,2,0,0,0,0|1,0,0]=3 725 B9R1.3 CC1=NC=CC(Br)=C1N F15057 [0,2,0,0,0,0|1,0,0]=3 726 B9R1.3 CC1=NC=CC(Cl)=C1F C71651 [0,2,0,0,0,0|1,0,0]=3 727 B9R1.3 CC1=NC=CC(N)=C1N 26933 [0,2,0,0,0,0|0,0,0]=2 728 B9R1.3 CC1=NC=CC(O)=C1C 89362 [0,2,0,0,0,0|1,0,0]=3 729 B9R1.3 CC1=NC=NC(C)=C1N 26497 [0,2,0,0,0,0|2,0,0]=4 730 B9R1.3 CC1=NC=NC(C)=C1O F21170 [0,2,0,0,0,0|2,0,0]=4 731 B9R1.3 CC1=NC=NC(Cl)=C1I 35506 [0,2,0,0,0,0|2,0,0]=4 732 B9R1.3 CC1=NC=NC(N)=C1Cl C72213 [0,2,0,0,0,0|1,0,0]=3 733 B9R1.3 CC1=NC=NC(O)=C1Br 85510 [0,2,0,0,0,0|2,0,0]=4 734 B9R1.3 CN1C=CC=C(N)C1=O CS1614 [0,2,0,0,0,0|2,0,0]=4 735 B9R1.3 CN1C=NC=C(Br)C1=O P19038 [0,2,0,0,0,0|2,0,0]=4 736 B9R1.3 ClC1=CC=CC(I)=C1Br C72487 [0,2,0,0,0,0|2,0,0]=4 737 B9R1.3 ClC1=CN=CC(Br)=C1Cl 36177 [0,2,0,0,0,0|1,0,0]=3 738 B9R1.3 ClC1=NC=CC(Br)=C1Cl D78037 [0,2,0,0,0,0|1,0,0]=3 739 B9R1.3 ClC1=NC=CC(Cl)=C1Cl H10141 [0,2,0,0,0,0|1,0,0]=3 740 B9R1.3 FC1=C(Br)C(Cl)=CC=N1 C71754 [0,2,0,0,0,0|1,0,0]=3 741 B9R1.3 FC1=C(Br)C=CN=C1Cl C10735 [0,2,0,0,0,0|1,0,0]=3 742 B9R1.3 FC1=C(Cl)C(Cl)=CC=N1 D84160 [0,2,0,0,0,0|1,0,0]=3 743 B9R1.3 FC1=CC=CC(F)=C1S N10599 [0,2,0,0,0,0|2,0,0]=4 744 B9R1.3 FC1=CC=CC(I)=C1Cl D96251 [0,2,0,0,0,0|2,0,0]=4 745 B9R1.3 FC1=CC=NC(Cl)=C1I W11409 [0,2,0,0,0,0|1,0,0]=3 746 B9R1.3 FC1=CC=NC(F)=C1Br C71871 [0,2,0,0,0,0|1,0,0]=3 747 B9R1.3 FC1=CC=NC(F)=C1Cl C76729 [0,2,0,0,0,0|1,0,0]=3 748 B9R1.3 FC1=CN=CC(Br)=C1Cl C71760 [0,2,0,0,0,0|1,0,0]=3 749 B9R1.3 FC1=CN=CC(Br)=C1Cl W12868 [0,2,0,0,0,0|1,0,0]=3 750 B9R1.3 FC1=CN=CC(Cl)=C1Br O11178 [0,2,0,0,0,0|1,0,0]=3 751 B9R1.3 FC1=CN=CC(Cl)=C1F W19022 [0,2,0,0,0,0|1,0,0]=3 752 B9R1.3 FC1=CN=CC(F)=C1Cl P17352 [0,2,0,0,0,0|1,0,0]=3 753 B9R1.3 FC1=CN=CC(F)=C1I 30927 [0,2,0,0,0,0|1,0,0]=3 754 B9R1.3 FC1=NC=CC(Br)=C1F C71887 [0,2,0,0,0,0|1,0,0]=3 755 B9R1.3 FC1=NC=CC(Cl)=C1F I11282 [0,2,0,0,0,0|1,0,0]=3 756 B9R1.3 FC1=NC=NC(F)=C1F C73350 [0,2,0,0,0,0|2,0,0]=4 757 B9R1.3 NC1=C(Br)C(F)=CC=N1 O10962 [0,2,0,0,0,0|1,0,0]=3 758 B9R1.3 NC1=C(Br)C=CN=C1Br D83808 [0,2,0,0,0,0|1,0,0]=3 759 B9R1.3 NC1=C(Br)C=CN=C1Cl I11225 [0,2,0,0,0,0|1,0,0]=3 760 B9R1.3 NC1=C(Br)C=NC=C1F 26952 [0,2,0,0,0,0|0,0,0]=2 761 B9R1.3 NC1=C(Cl)C(=O)NC=C1 D97574 [0,2,0,0,0,0|0,0,1]=3 762 B9R1.3 NC1=C(Cl)C(Br)=NC=C1 C75850 [0,2,0,0,0,0|0,0,0]=2 763 B9R1.3 NC1=C(Cl)C(Cl)=CC=N1 39109 [0,2,0,0,0,0|1,0,0]=3 764 B9R1.3 NC1=C(Cl)C(Cl)=NN=C1 20213 [0,2,0,0,0,0|1,0,0]=3 765 B9R1.3 NC1=C(Cl)C(S)=CC=N1 D96782 [0,2,0,0,0,0|1,0,0]=3 766 B9R1.3 NC1=C(Cl)C=CC=C1O 83940 [0,2,0,0,0,0|1,0,0]=3 767 B9R1.3 NC1=C(Cl)C=CN=C1Br N13061 [0,2,0,0,0,0|1,0,0]=3 768 B9R1.3 NC1=C(Cl)C=CN=C1O 84125 [0,2,0,0,0,0|1,0,0]=3 769 B9R1.3 NC1=C(Cl)C=NNC1=O C15979 [0,2,0,0,0,0|1,0,0]=3 770 B9R1.3 NC1=C(F)C(Br)=NC=C1 91517 [0,2,0,0,0,0|0,0,0]=2 771 B9R1.3 NC1=C(I)C=CC=C1F C10209 [0,2,0,0,0,0|1,0,0]=3 772 B9R1.3 NC1=C(I)C=CC=C1O 56049 [0,2,0,0,0,0|1,0,0]=3 773 B9R1.3 NC1=C(I)C=NC=C1Cl C72200 [0,2,0,0,0,0|0,0,0]=2 774 B9R1.3 NC1=C(N)C(=O)NC=C1 H10351 [0,2,0,0,0,0|0,0,1]=3 775 B9R1.3 NC1=C(N)C(Br)=NC=C1 24209 [0,2,0,0,0,0|0,0,0]=2 776 B9R1.3 NC1=C(O)C(Cl)=NC=C1 80296 [0,2,0,0,0,0|0,0,0]=2 777 B9R1.3 NC1=C(O)C(Cl)=NC=N1 36067 [0,2,0,0,0,0|1,0,0]=3 778 B9R1.3 NC1=C(O)C=CN=C1Cl 80316 [0,2,0,0,0,0|1,0,0]=3 779 B9R1.3 NC1=C(O)N=CN=C1Cl F13778 [0,2,0,0,0,0|2,0,0]=4 780 B9R1.3 NC1=CC=CC(Br)=C1Cl CL9068 [0,2,0,0,0,0|1,0,0]=3 781 B9R1.3 NC1=CC=CC(Br)=C1I D82519 [0,2,0,0,0,0|1,0,0]=3 782 B9R1.3 NC1=CC=CC(Cl)=C1S AT19652 [0,2,0,0,0,0|1,0,0]=3 783 B9R1.3 NC1=CC=CC(F)=C1I 34364 [0,2,0,0,0,0|1,0,0]=3 784 B9R1.3 NC1=CC=CC(I)=C1O D93643 [0,2,0,0,0,0|1,0,0]=3 785 B9R1.3 NC1=CC=CC(N)=C1O C73483 [0,2,0,0,0,0|1,0,0]=3 786 B9R1.3 NC1=CC=CC(O)=C1Cl A11176 [0,2,0,0,0,0|1,0,0]=3 787 B9R1.3 NC1=CC=CC(O)=C1F D83231 [0,2,0,0,0,0|1,0,0]=3 788 B9R1.3 NC1=CC=CC(O)=C1N Y11294 [0,2,0,0,0,0|1,0,0]=3 789 B9R1.3 NC1=CC=NC(Br)=C1I W11550 [0,2,0,0,0,0|0,0,0]=2 790 B9R1.3 NC1=CN=CC(Br)=C1I F20257 [0,2,0,0,0,0|1,0,0]=3 791 B9R1.3 NC1=CN=CC(Cl)=C1Cl 27571 [0,2,0,0,0,0|1,0,0]=3 792 B9R1.3 NC1=CN=CC(F)=C1I W10159 [0,2,0,0,0,0|1,0,0]=3 793 B9R1.3 NC1=CNC=C(Br)C1=O O10938 [0,2,0,0,0,0|1,0,1]=4 794 B9R1.3 NC1=NC=CC(Br)=C1N P11779 [0,2,0,0,0,0|1,0,0]=3 795 B9R1.3 NC1=NC=NC(Cl)=C1I F51292 [0,2,0,0,0,0|1,0,0]=3 796 B9R1.3 NC1=NC=NC(N)=C1N 28791 [0,2,0,0,0,0|1,0,0]=3 797 B9R1.3 O=C1C=CNC(Br)=C1Cl D80176 [0,2,0,0,0,0|1,0,1]=4 798 B9R1.3 O=C1N=CNC(O)=C1Cl H10250 [0,2,0,0,0,0|2,0,0]=4 799 B9R1.3 O=C1NC=CC(Cl)=C1Br 91733 [0,2,0,0,0,0|1,0,1]=4 800 B9R1.3 O=C1NC=CC(F)=C1Br 91736 [0,2,0,0,0,0|1,0,1]=4 801 B9R1.3 O=C1NC=CC(O)=C1Cl 24944 [0,2,0,0,0,0|1,0,1]=4 802 B9R1.3 O=C1NC=NC(Cl)=C1Br 27154 [0,2,0,0,0,0|2,0,0]=4 803 B9R1.3 O=C1NC=NC(O)=C1I 25255 [0,2,0,0,0,0|2,0,0]=4 804 B9R1.3 O=C1NN=CC(Cl)=C1Br P13769 [0,2,0,0,0,0|2,0,0]=4 805 B9R1.3 O=C1NN=CC(O)=C1Cl 20221 [0,2,0,0,0,0|2,0,0]=4 806 B9R1.3 OC1=C(Br)C=CN=C1Br W15957 [0,2,0,0,0,0|1,0,0]=3 807 B9R1.3 OC1=C(Br)C=CN=C1Cl 55295 [0,2,0,0,0,0|1,0,0]=3 808 B9R1.3 OC1=C(Cl)C(Cl)=NC=N1 25665 [0,2,0,0,0,0|2,0,0]=4 809 B9R1.3 OC1=C(Cl)C=CN=C1Br W11194 [0,2,0,0,0,0|1,0,0]=3 810 B9R1.3 OC1=C(Cl)C=CN=C1Cl C12296 [0,2,0,0,0,0|1,0,0]=3 811 B9R1.3 OC1=C(Cl)N=CN=C1Cl O11139 [0,2,0,0,0,0|2,0,0]=4 812 B9R1.3 OC1=C(F)C=CN=C1Cl F12183 [0,2,0,0,0,0|1,0,0]=3 813 B9R1.3 OC1=C(I)C=CC=C1Br A10639 [0,2,0,0,0,0|2,0,0]=4 814 B9R1.3 OC1=C(I)C=CC=C1Cl C10110 [0,2,0,0,0,0|2,0,0]=4 815 B9R1.3 OC1=C(I)C=CC=C1I W15211 [0,2,0,0,0,0|2,0,0]=4 816 B9R1.3 OC1=C(I)C=CN=C1Cl F50756 [0,2,0,0,0,0|1,0,0]=3 817 B9R1.3 OC1=C(I)C=CN=C1I 37855 [0,2,0,0,0,0|1,0,0]=3 818 B9R1.3 OC1=C(I)C=NC=C1I W18704 [0,2,0,0,0,0|1,0,0]=3 819 B9R1.3 OC1=CC=CC(Cl)=C1I 34465 [0,2,0,0,0,0|2,0,0]=4 820 B9R1.3 OC1=CC=CC(Cl)=C1O I10220 [0,2,0,0,0,0|2,0,0]=4 821 B9R1.3 OC1=CC=CC(I)=C1Cl O10718 [0,2,0,0,0,0|2,0,0]=4 822 B9R1.34 BrC1=CC(Br)=NC(Br)=N1 78794 [0,2,0,0,0,0|2,0,0]=4 823 B9R1.34 CC1=CC(=O)C=C(O)O1 O10801 [0,2,0,0,0,0|2,0,0]=4 824 B9R1.34 CC1=CC(Br)=CC(=O)O1 W11181 [0,2,0,0,0,0|2,0,0]=4 825 B9R1.34 CC1=CC(Br)=CC(Br)=N1 C76528 [0,2,0,0,0,0|1,0,0]=3 826 B9R1.34 CC1=CC(Br)=CC(Cl)=N1 I10130 [0,2,0,0,0,0|1,0,0]=3 827 B9R1.34 CC1=CC(Br)=CC(N)=N1 I11227 [0,2,0,0,0,0|1,0,0]=3 828 B9R1.34 CC1=CC(Br)=CC(O)=N1 25599 [0,2,0,0,0,0|1,0,0]=3 829 B9R1.34 CC1=CC(Br)=NC(C)=N1 D78127 [0,2,0,0,0,0|2,0,0]=4 830 B9R1.34 CC1=CC(C)=CC(C)=C1 78199 [0,2,0,0,0,0|2,0,0]=4 831 B9R1.34 CC1=CC(C)=NC(Br)=N1 C73243 [0,2,0,0,0,0|2,0,0]=4 832 B9R1.34 CC1=CC(Cl)=CC(N)=N1 26589 [0,2,0,0,0,0|1,0,0]=3 833 B9R1.34 CC1=CC(Cl)=NC(N)=C1 25901 [0,2,0,0,0,0|1,0,0]=3 834 B9R1.34 CC1=CC(Cl)=NC(O)=C1 D83290 [0,2,0,0,0,0|1,0,0]=3 835 B9R1.34 CC1=CC(I)=CC(Cl)=C1 56091 [0,2,0,0,0,0|2,0,0]=4 836 B9R1.34 CC1=CC(N)=CC(=O)O1 W11182 [0,2,0,0,0,0|1,0,0]=3 837 B9R1.34 CC1=CC(N)=CC(F)=N1 91514 [0,2,0,0,0,0|0,0,0]=2 838 B9R1.34 CC1=CC(O)=CC(N)=C1 25104 [0,2,0,0,0,0|1,0,0]=3 839 B9R1.34 CC1=NC(Cl)=CC(=O)N1 91471 [0,2,0,0,0,0|2,0,0]=4 840 B9R1.34 CC1=NC(Cl)=NC(N)=N1 W11895 [0,2,0,0,0,0|2,0,0]=4 841 B9R1.34 CC1=NC(Cl)=NC(O)=C1 AC7967 [0,2,0,0,0,0|2,0,0]=4 842 B9R1.34 CC1=NC(N)=CC(I)=N1 25934 [0,2,0,0,0,0|1,0,0]=3 843 B9R1.34 CC1=NC(N)=CC(N)=N1 32831 [0,2,0,0,0,0|1,0,0]=3 844 B9R1.34 CC1=NC(O)=NC(N)=N1 25789 [0,2,0,0,0,0|2,0,0]=4 845 B9R1.34 ClC1=CC(Br)=NC(Br)=C1 36418 [0,2,0,0,0,0|1,0,0]=3 846 B9R1.34 ClC1=CC(Cl)=NC(Br)=N1 D95182 [0,2,0,0,0,0|2,0,0]=4 847 B9R1.34 FC1=CC(Br)=CC(F)=N1 W17766 [0,2,0,0,0,0|1,0,0]=3 848 B9R1.34 FC1=CC(Br)=NC(Br)=C1 O10624 [0,2,0,0,0,0|1,0,0]=3 849 B9R1.34 FC1=NC(Cl)=CC(Cl)=N1 O11134 [0,2,0,0,0,0|2,0,0]=4 850 B9R1.34 NC1=CC(=O)NC(F)=C1 P17190 [0,2,0,0,0,0|0,0,1]=3 851 B9R1.34 NC1=CC(Br)=CC(Cl)=N1 P11731 [0,2,0,0,0,0|1,0,0]=3 852 B9R1.34 NC1=CC(Br)=CC(N)=N1 56898 [0,2,0,0,0,0|1,0,0]=3 853 B9R1.34 NC1=CC(Cl)=CC(O)=C1 CL9455 [0,2,0,0,0,0|1,0,0]=3 854 B9R1.34 NC1=CC(Cl)=NC(O)=C1 I11313 [0,2,0,0,0,0|0,0,0]=2 855 B9R1.34 NC1=CC(F)=CC(O)=C1 AT15770 [0,2,0,0,0,0|1,0,0]=3 856 B9R1.34 NC1=CC(F)=NC(F)=C1 80786 [0,2,0,0,0,0|0,0,0]=2 857 B9R1.34 NC1=CC(F)=NC(N)=N1 F11639 [0,2,0,0,0,0|1,0,0]=3 858 B9R1.34 NC1=CC(I)=CC(Cl)=C1 C76656 [0,2,0,0,0,0|1,0,0]=3 859 B9R1.34 NC1=CC(N)=CC(N)=C1 80249 [0,2,0,0,0,0|1,0,0]=3 860 B9R1.34 NC1=NC(F)=NC(F)=C1 C16211 [0,2,0,0,0,0|1,0,0]=3 861 B9R1.34 O=C1C=C(Cl)NC(Cl)=N1 83308 [0,2,0,0,0,0|2,0,0]=4 862 B9R1.34 O=C1N=C(Cl)C=C(Cl)N1 57496 [0,2,0,0,0,0|2,0,0]=4 863 B9R1.34 OC1=CC(Br)=NC(Br)=C1 C74116 [0,2,0,0,0,0|1,0,0]=3 864 B9R1.34 OC1=CC(Cl)=CC(Cl)=N1 CL0069 [0,2,0,0,0,0|1,0,0]=3 865 B9R1.34 OC1=CC(F)=NC(F)=C1 56801 [0,2,0,0,0,0|1,0,0]=3 866 B9R1.34 OC1=CC(I)=CC(Cl)=C1 C13366 [0,2,0,0,0,0|2,0,0]=4 867 B9R1.34 OC1=CC(I)=CC(F)=C1 F13580 [0,2,0,0,0,0|2,0,0]=4 868 B9R1.34 OC1=CC(O)=CC(F)=C1 F52031 [0,2,0,0,0,0|2,0,0]=4 869 B9R1.34 OC1=CC(O)=CC(I)=C1 A12718 [0,2,0,0,0,0|2,0,0]=4 870 B9R1.34 SC1=CC(S)=CC(Br)=C1 T70152 [0,2,0,0,0,0|2,0,0]=4 871 B5R1.1 C1=C[Se]C=C1 A12389 [1,0,0,0,1,0|1,0,0]=3