0 B7R1.3 CC1=CCOCC1 F17726 [0,0,0,0,0,0|1,0,3]=4 1 B7R1.3 ClC1=CC=NC=C1 F17303 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 ClC1=CN=NC=C1 F19795 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 ClC1=NC=CC=N1 F20795 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 ClC1=NC=NC=C1 F18311 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 FC1=CC=NC=C1 F19691 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.3 FC1=CN=CN=C1 F14737 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.3 F[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 40525 [0,0,0,0,0,0|1,0,0]=1 8 B7R1.3 IC1=NC=NC=C1 C15557 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.3 O=C1C=NCN=C1 36727 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.3 O=C1C=NN=CN1 F30273 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.3 OC1=CN=NC=C1 O12057 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.3 SC1=NN=CC=C1 AT13031 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.3 [15NH2]C1=CC=CC=C1 41405 [0,0,0,0,0,0|1,0,0]=1 14 B7R1.3 [2H]C1=CC=CC=C1 D98570 [0,0,0,0,0,0|1,0,0]=1 15 B7R1.3 [2H]C1=CC=NC=C1 D98795 [0,0,0,0,0,0|2,0,0]=2 16 B7R1.3 [2H]C1=NC=CC=C1 D98277 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.2 BrCC1=CN=CN=C1 F52462 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.2 BrCC1=NC=CC=N1 D79434 [0,1,0,0,0,0|2,0,0]=3 19 B8R1.2 C=CC1=CC=CN=C1 71366 [0,1,0,0,0,0|1,0,1]=3 20 B8R1.2 C=CC1=NC=CN=C1 T72447 [0,1,0,0,0,0|2,0,1]=4 21 B8R1.2 CNC1=CC=CN=N1 79165 [0,1,0,0,0,0|2,0,0]=3 22 B8R1.2 CSC1=NC=CC=N1 O10841 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.2 ClCC1=NC=NC=C1 A10562 [0,1,0,0,0,0|2,0,0]=3 24 B8R1.2 NCC1=CC=CC=C1 T70846 [0,1,0,0,0,0|0,0,0]=1 25 B8R1.2 NNC1=CC=CN=N1 C15759 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.2 NNC1=NC=NC=C1 57488 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.2 SCC1=NC=CN=C1 78318 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [0,1,0,0,0,0|1,0,0]=2 29 B8R1.3 BrC1=NN=C(I)C=C1 AT17784 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.3 CC1=CN=C(C)N=C1 C15366 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.3 CC1=CN=C(Cl)N=C1 F13414 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.3 CC1=CN=C(I)N=C1 90174 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.3 CC1=CN=C(O)N=C1 W10551 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.3 CC1=NC=C(I)C=N1 82252 [0,1,0,0,0,0|2,0,0]=3 35 B8R1.3 FC1=CN=C(I)N=C1 89571 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.3 FC1=NC=C(Cl)C=N1 AT18407 [0,1,0,0,0,0|3,0,0]=4 37 B8R1.3 NC1=CC=C(N)N=N1 D78632 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.3 NC1=CN=C(O)C=N1 N13380 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.3 NC1=CN=C(S)C=C1 AT20609 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.3 NC1=NC=C(O)C=N1 D78823 [0,1,0,0,0,0|3,0,0]=4 41 B8R1.3 NC1=NC=C([S-])C=N1 F51717 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.3 NC1=NNC(=O)C=C1 AT17777 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.3 O=C1C=CC(=O)N=N1 83325 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.3 O=C1C=CC(F)=NN1 AT24740 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.3 S=C1N=CC(Cl)=CN1 O11414 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.3 [2H]C1=CC=C(Cl)C=C1 D98354 [0,1,0,0,0,0|1,0,0]=2 47 B8R1.3 [2H]C1=CC=C([2H])C=C1 D99669 [0,1,0,0,0,0|1,0,0]=2 48 B8R1.4 BrC1=CC(I)=NC=C1 A10666 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.4 CC1=CC(I)=NC=C1 D87895 [0,1,0,0,0,0|1,0,0]=2 50 B8R1.4 CC1=CC=NC(I)=N1 N13215 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.4 CC1=NC(N)=CN=N1 D86296 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.4 C[C@H]1CC(=O)C=CO1 F50263 [0,1,0,0,0,0|1,0,2]=4 53 B8R1.4 ClC1=CC(I)=NC=N1 A51177 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.4 ClC1=CC=NC(Br)=N1 81850 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.4 FC1=NC=CC(Br)=N1 AT18301 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.4 NC1=CC=CC(=S)N1 C15708 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.4 O=C1C=C(S)NC=N1 FD7370 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.4 O=C1C=CNC(=O)O1 C15625 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.4 OC1=CC(I)=CN=C1 D74429 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.4 SC1=CC(Br)=CN=C1 P12662 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.4 [2H]C1=CC=CC([2H])=C1 D99674 [0,1,0,0,0,0|1,0,0]=2 62 B8R1.4 [2H]C1=CC=CC([2H])=N1 D98925 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.4 [O-][N+]1=CN=CC(O)=C1 F17903 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.5 BrC1=C(Br)C=NN=C1 AT11972 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.5 BrC1=CN=CN=C1I P11647 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.5 CC1=CC=NNC1=O 20227 [0,1,0,0,0,0|2,0,0]=3 67 B8R1.5 CC1=CN=CN=C1Cl 72600 [0,1,0,0,0,0|2,0,0]=3 68 B8R1.5 CC1=CN=NC=C1C C15709 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.5 CC1=NC=CN=C1I P10643 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.5 CC1=[N+](C)C=CC=C1 D87448 [0,1,0,0,0,0|1,0,0]=2 71 B8R1.5 C[C@H]1C=NC=CC1=S AT18149 [0,1,0,0,0,0|1,0,1]=3 72 B8R1.5 ClC1=C(Cl)C=NN=C1 S10980 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.5 FC1=C(F)C=NC=C1 O10910 [0,1,0,0,0,0|2,0,0]=3 74 B8R1.5 FC1=CC=CN=C1S AT18759 [0,1,0,0,0,0|2,0,0]=3 75 B8R1.5 FC1=NC=CN=C1I D76573 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.5 IC1=NC=CN=C1I N13386 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.5 NC1=C(S)C=NC=C1 P11896 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.5 O=C1NC=NC=C1Cl P12334 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.5 O=C1NC=NC=C1I P13009 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.5 OC1=C(Cl)C=NC=N1 25825 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.5 OC1=C(O)C=NN=C1 S10982 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.5 OC1=[13C](O)C=CC=C1 D98565 [0,1,0,0,0,0|1,0,0]=2 83 B8R1.5 S=C1C=CNC=C1Cl AT18152 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.5 [2H]C1=C([2H])C=CC=C1 D97880 [0,1,0,0,0,0|1,0,0]=2 85 B8R1.5 [O-][N+]1=C([S-])C=CC=C1 S12409 [0,1,0,0,0,0|2,0,0]=3 86 B6R0.4 C=C\C=C/C(=O)O C74528 [0,0,1,0,0,0|2,0,0]=3 87 B6R0.4 C=C\C=C\C(=O)O 35918 [0,0,1,0,0,0|2,0,0]=3 88 B6R0.6 CCO\C=C\C=O F18326 [0,0,1,0,0,0|2,0,1]=4 89 B6R0.6 O=C\C=C\C=C\[O-] 98104 [0,0,1,0,0,0|2,0,0]=3 90 B6R1.2 BrC1=CC=NS1 AT21099 [0,0,0,0,1,0|3,0,0]=4 91 B6R1.2 CC1=CN=CO1 C77581 [0,0,0,0,1,0|2,0,0]=3 92 B6R1.2 CC1=NC=CO1 O10838 [0,0,0,0,1,0|2,0,0]=3 93 B6R1.2 CC1=NSC=C1 AC6637 [0,0,0,0,1,0|2,0,0]=3 94 B6R1.2 ClC1=CSN=C1 F13704 [0,0,0,0,1,0|3,0,0]=4 95 B6R1.2 ClC1=NC=CO1 F20650 [0,0,0,0,1,0|3,0,0]=4 96 B6R1.2 ClC1=NSC=C1 F19768 [0,0,0,0,1,0|3,0,0]=4 97 B6R1.2 NC1=CC=CS1 44128 [0,0,0,0,1,0|2,0,0]=3 98 B6R1.2 NC1=CC=CS1 F10359 [0,0,0,0,1,0|2,0,0]=3 99 B6R1.2 NC1=CC=NS1 W16800 [0,0,0,0,1,0|3,0,0]=4 100 B6R1.2 NC1=CNC=N1 P20245 [0,0,0,0,1,0|3,0,0]=4 101 B6R1.2 OC1=CON=C1 AT21052 [0,0,0,0,1,0|3,0,0]=4 102 B6R1.2 SC1=NC=CO1 AT18533 [0,0,0,0,1,0|3,0,0]=4 103 B6R1.2 [2H]N1C=CC=C1 D98995 [0,0,0,0,1,0|2,0,0]=3 104 B5R0.1 C=CCC(=C)C T72918 [1,0,1,0,0,0|0,0,1]=3 105 B7R0.2 C=CC(=O)C=C(C)C F12626 [0,1,1,0,0,0|1,0,1]=4 106 B7R0.7 C=CCC(=O)CC=C 89933 [0,1,1,0,0,0|1,0,1]=4 107 B7R0.4 C=C(C)CC\C=C\C T72820 [0,1,1,0,0,0|0,0,2]=4 108 B7R0.1 C=CC\C=C\CCC T72633 [0,1,1,0,0,0|0,0,2]=4 109 B7R1.1 BrCC1=CN=CS1 70967 [0,1,0,0,1,0|2,0,0]=4 110 B7R1.1 BrCC1=CNC=N1 AT15560 [0,1,0,0,1,0|2,0,0]=4 111 B7R1.1 BrCC1=COC=N1 F13651 [0,1,0,0,1,0|2,0,0]=4 112 B7R1.1 BrCC1=CSC=N1 70966 [0,1,0,0,1,0|2,0,0]=4 113 B7R1.1 CCC1=CN=CO1 C77473 [0,1,0,0,1,0|2,0,0]=4 114 B7R1.1 CCC1=COC=N1 C77618 [0,1,0,0,1,0|2,0,0]=4 115 B7R1.1 CNC1=CNN=C1 AT23101 [0,1,0,0,1,0|2,0,0]=4 116 B7R1.1 CNC1=NC=CS1 H11141 [0,1,0,0,1,0|2,0,0]=4 117 B7R1.1 COC1=NSC=C1 AT11777 [0,1,0,0,1,0|2,0,0]=4 118 B7R1.1 ClCC1=CN=CS1 F13827 [0,1,0,0,1,0|2,0,0]=4 119 B7R1.1 ClCC1=CNC=N1 70851 [0,1,0,0,1,0|2,0,0]=4 120 B7R1.1 ClCC1=COC=N1 C16353 [0,1,0,0,1,0|2,0,0]=4 121 B7R1.1 ClCC1=CSC=C1 AT17055 [0,1,0,0,1,0|1,0,0]=3 122 B7R1.1 ClCC1=NC=CN1 35198 [0,1,0,0,1,0|2,0,0]=4 123 B7R1.1 ClCC1=NC=CS1 AC6679 [0,1,0,0,1,0|2,0,0]=4 124 B7R1.1 ClCN1C=CC=N1 79341 [0,1,0,0,1,0|2,0,0]=4 125 B7R1.1 NCC1=CC=NN1 P10323 [0,1,0,0,1,0|2,0,0]=4 126 B7R1.1 NCC1=CC=NS1 AT13366 [0,1,0,0,1,0|2,0,0]=4 127 B7R1.1 NCC1=CNC=N1 C90275 [0,1,0,0,1,0|2,0,0]=4 128 B7R1.1 NCC1=CNN=C1 83328 [0,1,0,0,1,0|2,0,0]=4 129 B7R1.1 NCC1=COC=C1 61502 [0,1,0,0,1,0|1,0,0]=3 130 B7R1.1 NCC1=COC=N1 73632 [0,1,0,0,1,0|2,0,0]=4 131 B7R1.1 NCC1=CSN=C1 AT21214 [0,1,0,0,1,0|2,0,0]=4 132 B7R1.1 NCC1=NSC=C1 P10783 [0,1,0,0,1,0|2,0,0]=4 133 B7R1.1 NNC1=CC=CS1 W17128 [0,1,0,0,1,0|2,0,0]=4 134 B7R1.1 OCC1=CC=CN1 AT16114 [0,1,0,0,1,0|1,0,0]=3 135 B7R1.1 OCC1=CC=NN1 H11417 [0,1,0,0,1,0|2,0,0]=4 136 B7R1.1 OCC1=NC=CN1 D72609 [0,1,0,0,1,0|2,0,0]=4 137 B7R1.1 SCC1=CC=CS1 T72725 [0,1,0,0,1,0|1,0,0]=3 138 B7R1.2 BrC1=CSC(I)=C1 F10349 [0,1,0,0,1,0|2,0,0]=4 139 B7R1.2 CC1=CC(Br)=CO1 I11460 [0,1,0,0,1,0|1,0,0]=3 140 B7R1.2 CC1=CC(N)=CS1 27442 [0,1,0,0,1,0|1,0,0]=3 141 B7R1.2 CC1=CC(N)=NS1 A51223 [0,1,0,0,1,0|2,0,0]=4 142 B7R1.2 CC1=CC=C(S)S1 AT16550 [0,1,0,0,1,0|1,0,0]=3 143 B7R1.2 CC1=CN=C(C)O1 AC5679 [0,1,0,0,1,0|2,0,0]=4 144 B7R1.2 CC1=CN=C(Cl)O1 AT18559 [0,1,0,0,1,0|2,0,0]=4 145 B7R1.2 CC1=CN=C(N)N1 27977 [0,1,0,0,1,0|2,0,0]=4 146 B7R1.2 CC1=COC(Br)=N1 AT18461 [0,1,0,0,1,0|2,0,0]=4 147 B7R1.2 CC1=COC(Cl)=N1 A51023 [0,1,0,0,1,0|2,0,0]=4 148 B7R1.2 CC1=CSC(N)=C1 N12877 [0,1,0,0,1,0|1,0,0]=3 149 B7R1.2 CC1=CSC(N)=C1 S11464 [0,1,0,0,1,0|1,0,0]=3 150 B7R1.2 CC1=CSC(S)=C1 AT16548 [0,1,0,0,1,0|1,0,0]=3 151 B7R1.2 CC1=NC(N)=CS1 AC2762 [0,1,0,0,1,0|2,0,0]=4 152 B7R1.2 CC1=NC=C(Br)O1 AT18670 [0,1,0,0,1,0|2,0,0]=4 153 B7R1.2 CC1=NC=C(Cl)S1 AT15021 [0,1,0,0,1,0|2,0,0]=4 154 B7R1.2 CC1=NC=C(N)S1 D85841 [0,1,0,0,1,0|2,0,0]=4 155 B7R1.2 CC1=NSC(I)=C1 W12926 [0,1,0,0,1,0|2,0,0]=4 156 B7R1.2 CC1=NSC(N)=C1 C77679 [0,1,0,0,1,0|2,0,0]=4 157 B7R1.2 CN1C=C(F)C=N1 D79458 [0,1,0,0,1,0|2,0,0]=4 158 B7R1.2 CN1C=CC(N)=C1 77871 [0,1,0,0,1,0|1,0,0]=3 159 B7R1.2 CN1C=C[N+](C)=C1 91466 [0,1,0,0,1,0|2,0,0]=4 160 B7R1.2 CN1C=NC(N)=C1 F13269 [0,1,0,0,1,0|2,0,0]=4 161 B7R1.2 ClC1=CC=C(I)S1 C74472 [0,1,0,0,1,0|2,0,0]=4 162 B7R1.2 ClC1=CSC(Br)=C1 AT16371 [0,1,0,0,1,0|2,0,0]=4 163 B7R1.2 NC1=CC=C(Cl)S1 D87671 [0,1,0,0,1,0|2,0,0]=4 164 B7R1.2 NC1=CSC(Cl)=C1 38492 [0,1,0,0,1,0|2,0,0]=4 165 B7R1.2 NC1=CSC(Cl)=C1 P13129 [0,1,0,0,1,0|2,0,0]=4 166 B7R1.2 [2H]C1=CC=C([2H])S1 D99575 [0,1,0,0,1,0|2,0,0]=4 167 B7R1.4 BrC1=C(I)C=CS1 AT16380 [0,1,0,0,1,0|2,0,0]=4 168 B7R1.4 CC1=C(Br)C=NN1 O11185 [0,1,0,0,1,0|2,0,0]=4 169 B7R1.4 CC1=C(Br)OC=C1 F53471 [0,1,0,0,1,0|1,0,0]=3 170 B7R1.4 CC1=C(I)NN=C1 72687 [0,1,0,0,1,0|2,0,0]=4 171 B7R1.4 CC1=C(N)C=NO1 AT19805 [0,1,0,0,1,0|2,0,0]=4 172 B7R1.4 CC1=C(N)N=CN1 C15418 [0,1,0,0,1,0|2,0,0]=4 173 B7R1.4 CC1=C(N)NN=C1 P11216 [0,1,0,0,1,0|2,0,0]=4 174 B7R1.4 CC1=C(S)C=CS1 A10974 [0,1,0,0,1,0|1,0,0]=3 175 B7R1.4 CC1=CNN=C1I 72684 [0,1,0,0,1,0|2,0,0]=4 176 B7R1.4 CC1=NNC=C1Cl AT10929 [0,1,0,0,1,0|2,0,0]=4 177 B7R1.4 CC1=NOC=C1N AT19806 [0,1,0,0,1,0|2,0,0]=4 178 B7R1.4 CN1N=CC=C1Cl AT15843 [0,1,0,0,1,0|2,0,0]=4 179 B7R1.4 NC1=C(Br)C=CS1 C16366 [0,1,0,0,1,0|2,0,0]=4 180 B7R1.4 NC1=C(Cl)SC=C1 AT16569 [0,1,0,0,1,0|2,0,0]=4 181 B9R1.1 BrCC1=NN=C(Br)C=C1 C73657 [0,2,0,0,0,0|2,0,0]=4 182 B9R1.1 C#CC1=NC=C(C)C=N1 AT18269 [0,2,0,0,0,0|2,0,0]=4 183 B9R1.1 C=CC1=CN=C(C)N=C1 P14948 [0,2,0,0,0,0|2,0,0]=4 184 B9R1.1 C=CC1=CN=C(F)C=C1 79557 [0,2,0,0,0,0|1,0,1]=4 185 B9R1.1 CC1=CN=C(CBr)N=C1 95158 [0,2,0,0,0,0|2,0,0]=4 186 B9R1.1 CC1=CN=C(CCl)N=C1 P10954 [0,2,0,0,0,0|2,0,0]=4 187 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [0,2,0,0,0,0|1,0,0]=3 188 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [0,2,0,0,0,0|1,0,0]=3 189 B9R1.1 CC1=NC=C(NN)C=C1 P10368 [0,2,0,0,0,0|1,0,0]=3 190 B9R1.1 CCN1C=CC(=S)C=C1 W16146 [0,2,0,0,0,0|1,0,0]=3 191 B9R1.1 CNC1=CC=C(C)N=N1 AT18436 [0,2,0,0,0,0|2,0,0]=4 192 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [0,2,0,0,0,0|0,0,0]=2 193 B9R1.1 CNC1=NC=C(Cl)C=N1 AT18415 [0,2,0,0,0,0|2,0,0]=4 194 B9R1.1 CNC1=NC=C(F)C=N1 AT18273 [0,2,0,0,0,0|2,0,0]=4 195 B9R1.1 CNC1=NC=C(N)C=C1 Y13586 [0,2,0,0,0,0|1,0,0]=3 196 B9R1.1 COC1=CN=C(I)C=C1 F17075 [0,2,0,0,0,0|1,0,0]=3 197 B9R1.1 COC1=CN=C(I)C=N1 D75305 [0,2,0,0,0,0|2,0,0]=4 198 B9R1.1 COC1=NNC(=O)C=C1 AT17771 [0,2,0,0,0,0|2,0,0]=4 199 B9R1.1 CSC1=CN=C(N)N=C1 C16305 [0,2,0,0,0,0|2,0,0]=4 200 B9R1.1 CSC1=NC=C(C)C=N1 E70474 [0,2,0,0,0,0|2,0,0]=4 201 B9R1.1 CSC1=NC=C(N)C=C1 D73901 [0,2,0,0,0,0|1,0,0]=3 202 B9R1.1 CSC1=NC=C(N)N=C1 92096 [0,2,0,0,0,0|2,0,0]=4 203 B9R1.1 CSC1=NN=C(Br)C=C1 AT17781 [0,2,0,0,0,0|2,0,0]=4 204 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [0,2,0,0,0,0|0,0,0]=2 205 B9R1.1 ClC1=CN=C(CBr)C=C1 S12201 [0,2,0,0,0,0|1,0,0]=3 206 B9R1.1 ClC1=CN=C(CBr)C=N1 95144 [0,2,0,0,0,0|2,0,0]=4 207 B9R1.1 ClCC1=CN=C(Cl)C=C1 W18630 [0,2,0,0,0,0|1,0,0]=3 208 B9R1.1 ClCC1=NC=C(Br)C=N1 P10957 [0,2,0,0,0,0|2,0,0]=4 209 B9R1.1 ClCC1=NC=C(Cl)C=N1 P10953 [0,2,0,0,0,0|2,0,0]=4 210 B9R1.1 FC1=CN=C(CCl)C=C1 P19178 [0,2,0,0,0,0|1,0,0]=3 211 B9R1.1 NC1=CN=C(CO)N=C1 D78843 [0,2,0,0,0,0|2,0,0]=4 212 B9R1.1 NC1=NC=C(CCl)C=C1 AT22351 [0,2,0,0,0,0|1,0,0]=3 213 B9R1.1 NC1=NN=C(CO)C=C1 AT17786 [0,2,0,0,0,0|2,0,0]=4 214 B9R1.1 NCC1=CC=C(F)C=C1 N12249 [0,2,0,0,0,0|0,0,0]=2 215 B9R1.1 NCC1=CC=C(S)C=C1 AT20992 [0,2,0,0,0,0|0,0,0]=2 216 B9R1.1 NCC1=CN=C(Br)C=N1 F30506 [0,2,0,0,0,0|2,0,0]=4 217 B9R1.1 NCC1=NC=C(F)C=C1 83593 [0,2,0,0,0,0|1,0,0]=3 218 B9R1.1 NCC1=NC=C(F)C=N1 W11735 [0,2,0,0,0,0|2,0,0]=4 219 B9R1.1 NCC1=NC=C(I)C=C1 C91084 [0,2,0,0,0,0|1,0,0]=3 220 B9R1.1 NCC1=NN=C(Cl)C=C1 D84868 [0,2,0,0,0,0|2,0,0]=4 221 B9R1.1 NNC1=CN=C(Br)C=C1 68947 [0,2,0,0,0,0|2,0,0]=4 222 B9R1.1 NNC1=CN=C(Br)C=C1 W15223 [0,2,0,0,0,0|2,0,0]=4 223 B9R1.1 NNC1=NC=C(I)C=C1 C91520 [0,2,0,0,0,0|2,0,0]=4 224 B9R1.1 O=C1C=CC(=NCl)C=C1 T72753 [0,2,0,0,0,0|1,0,0]=3 225 B9R1.1 OCC1=NC=C(O)C=N1 72629 [0,2,0,0,0,0|2,0,0]=4 226 B9R1.1 OCC1=NN=C(Cl)C=C1 AT17814 [0,2,0,0,0,0|2,0,0]=4 227 B9R1.1 [2H]CC1=CC=C(F)C=C1 D98910 [0,2,0,0,0,0|0,0,0]=2 228 B9R1.2 C#CC1=CC(C)=CN=C1 AT12963 [0,2,0,0,0,0|1,0,0]=3 229 B9R1.2 C#CC1=CC=CC(N)=N1 C73323 [0,2,0,0,0,0|1,0,1]=4 230 B9R1.2 C#CC1=CN=CC(N)=C1 C76102 [0,2,0,0,0,0|1,0,1]=4 231 B9R1.2 C#CC1=NC(C)=CC=N1 AT18275 [0,2,0,0,0,0|2,0,0]=4 232 B9R1.2 CC1=CC(C=O)=NC=N1 AT18315 [0,2,0,0,0,0|2,0,0]=4 233 B9R1.2 CC1=CC(CBr)=CN=C1 43925 [0,2,0,0,0,0|1,0,0]=3 234 B9R1.2 CC1=CC(CCl)=NC=N1 F52607 [0,2,0,0,0,0|2,0,0]=4 235 B9R1.2 CC1=CC(CN)=NC=N1 AT18324 [0,2,0,0,0,0|2,0,0]=4 236 B9R1.2 CC1=CC=NC(CCl)=N1 P10964 [0,2,0,0,0,0|2,0,0]=4 237 B9R1.2 CC1=CC=NC(CN)=N1 P10960 [0,2,0,0,0,0|2,0,0]=4 238 B9R1.2 CC1=CN=CC(CCl)=N1 O10514 [0,2,0,0,0,0|2,0,0]=4 239 B9R1.2 CC1=CN=CC(CCl)=N1 Y10493 [0,2,0,0,0,0|2,0,0]=4 240 B9R1.2 CC1=CN=CC(CO)=N1 O10143 [0,2,0,0,0,0|2,0,0]=4 241 B9R1.2 CC1=CN=NC(CN)=C1 P13788 [0,2,0,0,0,0|2,0,0]=4 242 B9R1.2 CC1=NC=CC(CCl)=N1 F53395 [0,2,0,0,0,0|2,0,0]=4 243 B9R1.2 CC1=NC=CC(CN)=N1 F14224 [0,2,0,0,0,0|2,0,0]=4 244 B9R1.2 CC1=NC=CC(NN)=C1 F16202 [0,2,0,0,0,0|1,0,0]=3 245 B9R1.2 CCC1=CC(Cl)=NN=C1 S11387 [0,2,0,0,0,0|2,0,0]=4 246 B9R1.2 CCC1=NC=CC(Cl)=N1 W12562 [0,2,0,0,0,0|2,0,0]=4 247 B9R1.2 CNC1=CC(Br)=NC=N1 AT18306 [0,2,0,0,0,0|2,0,0]=4 248 B9R1.2 CNC1=NC=CC(N)=C1 F12690 [0,2,0,0,0,0|1,0,0]=3 249 B9R1.2 COC1=CC(O)=NC=C1 F17762 [0,2,0,0,0,0|1,0,0]=3 250 B9R1.2 COC1=CCC=C(C)C1 AC4015 [0,2,0,0,0,0|0,0,2]=4 251 B9R1.2 COC1=CN=CC(N)=C1 P11509 [0,2,0,0,0,0|1,0,0]=3 252 B9R1.2 CSC1=CC(Cl)=CN=C1 AT19857 [0,2,0,0,0,0|1,0,0]=3 253 B9R1.2 CSC1=CN=CC(Cl)=N1 AT24641 [0,2,0,0,0,0|2,0,0]=4 254 B9R1.2 CSC1=NC(N)=NC=C1 AT18329 [0,2,0,0,0,0|2,0,0]=4 255 B9R1.2 C\N=C1\C=C(C)C=CN1 W18359 [0,2,0,0,0,0|1,0,0]=3 256 B9R1.2 ClC1=NC=CC(CBr)=C1 C16429 [0,2,0,0,0,0|1,0,0]=3 257 B9R1.2 ClC1=NC=CC(CBr)=N1 F12213 [0,2,0,0,0,0|2,0,0]=4 258 B9R1.2 ClCC1=NC=CC(Cl)=C1 C13998 [0,2,0,0,0,0|1,0,0]=3 259 B9R1.2 FC1=CC(CCl)=CN=C1 O10881 [0,2,0,0,0,0|1,0,0]=3 260 B9R1.2 FCC1=CC(Cl)=NC=N1 82110 [0,2,0,0,0,0|2,0,0]=4 261 B9R1.2 N#CC1=CC(I)=NC=C1 A11430 [0,2,0,0,0,0|1,0,1]=4 262 B9R1.2 N#CC1=NC=CC(I)=C1 P10625 [0,2,0,0,0,0|1,0,1]=4 263 B9R1.2 NC1=NC=CC(C=O)=C1 O10660 [0,2,0,0,0,0|1,0,1]=4 264 B9R1.2 NCC1=CC(=O)NC=C1 37540 [0,2,0,0,0,0|1,0,0]=3 265 B9R1.2 NCC1=CC(Br)=CN=C1 F19818 [0,2,0,0,0,0|1,0,0]=3 266 B9R1.2 NCC1=CC(F)=NC=C1 W18404 [0,2,0,0,0,0|1,0,0]=3 267 B9R1.2 NCC1=CC(N)=NC=C1 AC6477 [0,2,0,0,0,0|1,0,0]=3 268 B9R1.2 NCC1=CC=CC(Cl)=N1 C72946 [0,2,0,0,0,0|1,0,0]=3 269 B9R1.2 NCC1=CC=CC(I)=C1 CK2420 [0,2,0,0,0,0|0,0,0]=2 270 B9R1.2 NCC1=CC=CC(O)=N1 F10425 [0,2,0,0,0,0|1,0,0]=3 271 B9R1.2 NCC1=NC=CC(Br)=C1 26892 [0,2,0,0,0,0|1,0,0]=3 272 B9R1.2 NCC1=NC=CC(F)=C1 C71953 [0,2,0,0,0,0|1,0,0]=3 273 B9R1.2 NCC1=NC=CC(N)=C1 77886 [0,2,0,0,0,0|1,0,0]=3 274 B9R1.2 NNC1=NC(N)=CC=C1 C91519 [0,2,0,0,0,0|2,0,0]=4 275 B9R1.2 O=CC1=CC(I)=CN=C1 H10413 [0,2,0,0,0,0|1,0,1]=4 276 B9R1.2 OCC1=CC(O)=NC=N1 59935 [0,2,0,0,0,0|2,0,0]=4 277 B9R1.2 [2H]CC1=CC=CC(F)=C1 D99661 [0,2,0,0,0,0|0,0,0]=2 278 B9R1.2 [O-][N+]1=CC=CC(CCl)=C1 96310 [0,2,0,0,0,0|1,0,0]=3 279 B9R1.6 CN(C)C1=NC=NC=C1 O12006 [0,2,0,0,0,0|2,0,0]=4 280 B9R1.6 C[C@H](Br)C1=NC=CN=C1 C77147 [0,2,0,0,0,0|2,0,0]=4 281 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [0,2,0,0,0,0|1,0,0]=3 282 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [0,2,0,0,0,0|1,0,0]=3 283 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31048 [0,2,0,0,0,0|1,0,0]=3 284 B9R1.6 C[C@H](N)C1=CN=CN=C1 P14618 [0,2,0,0,0,0|2,0,0]=4 285 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [0,2,0,0,0,0|1,0,0]=3 286 B9R1.6 C[C@H](N)C1=NC=CC=N1 72045 [0,2,0,0,0,0|2,0,0]=4 287 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93141 [0,2,0,0,0,0|2,0,0]=4 288 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93144 [0,2,0,0,0,0|2,0,0]=4 289 B9R1.6 C[C@H](N)C1=NC=NC=C1 N10689 [0,2,0,0,0,0|2,0,0]=4 290 B9R1.6 C[C@H](N)C1=NC=NC=C1 P10880 [0,2,0,0,0,0|2,0,0]=4 291 B9R1.6 C[C@H](O)C1=NC=NC=C1 AT18318 [0,2,0,0,0,0|2,0,0]=4 292 B9R1.6 N=C(N)C1=CC=NC=C1 71449 [0,2,0,0,0,0|1,0,1]=4 293 B9R1.6 O=C(Cl)C1=CC=NC=C1 D78267 [0,2,0,0,0,0|1,0,1]=4 294 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [0,2,0,0,0,0|1,0,1]=4 295 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [0,2,0,0,0,0|0,0,1]=3 296 B9R1.6 [2H]C(=C)C1=CC=CC=C1 D97969 [0,2,0,0,0,0|0,0,1]=3 297 B9R1.6 [2H]N([2H])C1=CC=CC=C1 D98688 [0,2,0,0,0,0|1,0,0]=3 298 B9R1.8 BrC#CC1=CN=CC=C1 50128 [0,2,0,0,0,0|1,0,1]=4 299 B9R1.8 BrC#CC1=NC=CC=C1 94426 [0,2,0,0,0,0|1,0,1]=4 300 B9R1.8 BrCCC1=CN=CC=C1 C77647 [0,2,0,0,0,0|1,0,0]=3 301 B9R1.8 C#C[I+]C1=CC=CC=C1 T71678 [0,2,0,0,0,0|0,0,1]=3 302 B9R1.8 CCCC1=CC=CN=C1 O11051 [0,2,0,0,0,0|1,0,0]=3 303 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [0,2,0,0,0,0|1,0,0]=3 304 B9R1.8 CCNC1=NC=CN=C1 C76036 [0,2,0,0,0,0|2,0,0]=4 305 B9R1.8 CNCC1=CN=CN=C1 38577 [0,2,0,0,0,0|2,0,0]=4 306 B9R1.8 CNCC1=NC=CC=N1 27199 [0,2,0,0,0,0|2,0,0]=4 307 B9R1.8 CNCC1=NC=CC=N1 72796 [0,2,0,0,0,0|2,0,0]=4 308 B9R1.8 CNCC1=NC=NC=C1 C14477 [0,2,0,0,0,0|2,0,0]=4 309 B9R1.8 CNNC1=CC=CC=C1 C77159 [0,2,0,0,0,0|0,0,0]=2 310 B9R1.8 FCCC1=CC=CC=C1 75534 [0,2,0,0,0,0|0,0,0]=2 311 B9R1.8 IC#CC1=CC=CC=C1 N11813 [0,2,0,0,0,0|0,0,1]=3 312 B9R1.8 NCCC1=CC=CC=C1 T71816 [0,2,0,0,0,0|0,0,0]=2 313 B9R1.8 NCCC1=CC=CC=C1 T72591 [0,2,0,0,0,0|0,0,0]=2 314 B9R1.8 NCCC1=NC=CC=N1 83201 [0,2,0,0,0,0|2,0,0]=4 315 B9R1.8 NCCC1=NC=CC=N1 P10852 [0,2,0,0,0,0|2,0,0]=4 316 B9R1.8 NCCC1=NC=CN=C1 AT22557 [0,2,0,0,0,0|2,0,0]=4 317 B9R1.8 NCCC1=NC=NC=C1 P10950 [0,2,0,0,0,0|2,0,0]=4 318 B9R1.8 NNCC1=NC=CC=C1 P10521 [0,2,0,0,0,0|1,0,0]=3 319 B9R1.8 NNCC1=NC=CN=C1 D78817 [0,2,0,0,0,0|2,0,0]=4 320 B9R1.8 NNCC1=NC=CN=C1 P19174 [0,2,0,0,0,0|2,0,0]=4 321 B9R1.8 OCCC1=CC=NC=C1 T72404 [0,2,0,0,0,0|1,0,0]=3 322 B9R1.8 OCCC1=NN=CC=C1 D77083 [0,2,0,0,0,0|2,0,0]=4 323 B9R1.8 S=C=NC1=NC=CC=C1 C11368 [0,2,0,0,0,0|1,0,1]=4 324 B9R1.8 SCCC1=NC=CC=C1 F18309 [0,2,0,0,0,0|1,0,0]=3 325 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 AC8779 [0,2,0,0,0,0|1,0,0]=3 326 B9R1.8 [C-]#[N+]CC1=CN=CC=C1 F16136 [0,2,0,0,0,0|1,0,0]=3 327 B9R1.15 C#CC1=C(C)C=CN=C1 AT12962 [0,2,0,0,0,0|1,0,0]=3 328 B9R1.15 C#CC1=C(N)C=NC=C1 D83940 [0,2,0,0,0,0|1,0,1]=4 329 B9R1.15 C#CC1=CC=CN=C1C AT12964 [0,2,0,0,0,0|1,0,0]=3 330 B9R1.15 C#CC1=CC=CN=C1Cl AT12435 [0,2,0,0,0,0|1,0,1]=4 331 B9R1.15 C#CC1=CC=CN=C1N 72370 [0,2,0,0,0,0|1,0,1]=4 332 B9R1.15 C#CC1=NC=CC=C1C 79080 [0,2,0,0,0,0|1,0,0]=3 333 B9R1.15 C=CC1=C(C)C=CC=C1 T72704 [0,2,0,0,0,0|0,0,0]=2 334 B9R1.15 C=CC1=C(C)C=CN=C1 P11580 [0,2,0,0,0,0|1,0,0]=3 335 B9R1.15 C=CC1=CC=CN=C1F P13082 [0,2,0,0,0,0|1,0,1]=4 336 B9R1.15 CC1=C(C#N)C=NN=C1 P16129 [0,2,0,0,0,0|2,0,0]=4 337 B9R1.15 CC1=C(C=O)C=NC=N1 O11269 [0,2,0,0,0,0|2,0,0]=4 338 B9R1.15 CC1=C(CBr)C=CC=N1 FD9046 [0,2,0,0,0,0|1,0,0]=3 339 B9R1.15 CC1=C(CBr)C=CC=N1 P11218 [0,2,0,0,0,0|1,0,0]=3 340 B9R1.15 CC1=C(CCl)C=CC=N1 P10970 [0,2,0,0,0,0|1,0,0]=3 341 B9R1.15 CC1=C(CCl)C=NC=C1 P10971 [0,2,0,0,0,0|1,0,0]=3 342 B9R1.15 CC1=C(CO)C=NC=N1 F31023 [0,2,0,0,0,0|2,0,0]=4 343 B9R1.15 CC1=C(NN)N=NC=C1 O11008 [0,2,0,0,0,0|2,0,0]=4 344 B9R1.15 CC1=CC=CN=C1CBr D97530 [0,2,0,0,0,0|1,0,0]=3 345 B9R1.15 CC1=CC=NN=C1C#N P12501 [0,2,0,0,0,0|2,0,0]=4 346 B9R1.15 CC1=CN=CN=C1C#N F53173 [0,2,0,0,0,0|2,0,0]=4 347 B9R1.15 CC1=NC=CN=C1CCl P17257 [0,2,0,0,0,0|2,0,0]=4 348 B9R1.15 CC1=NC=CN=C1CN 38702 [0,2,0,0,0,0|2,0,0]=4 349 B9R1.15 CCC1=C(Br)C=CN=C1 H11182 [0,2,0,0,0,0|1,0,0]=3 350 B9R1.15 CCC1=C(N)N=NC=C1 S11451 [0,2,0,0,0,0|2,0,0]=4 351 B9R1.15 CCC1=CC=CN=C1C 75814 [0,2,0,0,0,0|1,0,0]=3 352 B9R1.15 CCC1=CN=CN=C1O C15413 [0,2,0,0,0,0|2,0,0]=4 353 B9R1.15 CNC1=C(F)C=NC=N1 AT18309 [0,2,0,0,0,0|2,0,0]=4 354 B9R1.15 CNC1=C(I)C=NC=N1 AT18314 [0,2,0,0,0,0|2,0,0]=4 355 B9R1.15 COC1=C(Br)C=CN=C1 F10479 [0,2,0,0,0,0|1,0,0]=3 356 B9R1.15 COC1=C(C)C=NC=C1 D74380 [0,2,0,0,0,0|1,0,0]=3 357 B9R1.15 COC1=CC=NNC1=O 76149 [0,2,0,0,0,0|2,0,0]=4 358 B9R1.15 COC1=CN=CN=C1Br O11184 [0,2,0,0,0,0|2,0,0]=4 359 B9R1.15 ClC1=CC=CN=C1CBr 79180 [0,2,0,0,0,0|1,0,0]=3 360 B9R1.15 ClC1=CC=CN=C1CBr 86640 [0,2,0,0,0,0|1,0,0]=3 361 B9R1.15 ClCC1=CC=CN=C1Br 55187 [0,2,0,0,0,0|1,0,0]=3 362 B9R1.15 FC1=C(CBr)C=CC=N1 AT20654 [0,2,0,0,0,0|1,0,0]=3 363 B9R1.15 N#CC1=C(O)C=NC=C1 AT12828 [0,2,0,0,0,0|1,0,1]=4 364 B9R1.15 N#CC1=C(S)C=CC=C1 AT20892 [0,2,0,0,0,0|0,0,1]=3 365 B9R1.15 N#CC1=C(S)C=CN=C1 C77520 [0,2,0,0,0,0|1,0,1]=4 366 B9R1.15 NC1=C(C=O)C=NC=C1 W12249 [0,2,0,0,0,0|1,0,1]=4 367 B9R1.15 NC1=C(CCl)C=CC=N1 89794 [0,2,0,0,0,0|1,0,0]=3 368 B9R1.15 NC1=C(CO)C=NC=N1 AT18389 [0,2,0,0,0,0|2,0,0]=4 369 B9R1.15 NCC1=C(Br)C=NC=C1 98160 [0,2,0,0,0,0|1,0,0]=3 370 B9R1.15 NCC1=C(Cl)C=CN=C1 C11073 [0,2,0,0,0,0|1,0,0]=3 371 B9R1.15 NCC1=C(F)C=CN=C1 C90218 [0,2,0,0,0,0|1,0,0]=3 372 B9R1.15 NCC1=C(I)C=CC=C1 AT26620 [0,2,0,0,0,0|0,0,0]=2 373 B9R1.15 NCC1=C(O)C=CC=N1 C73700 [0,2,0,0,0,0|1,0,0]=3 374 B9R1.15 NCC1=C(O)C=CN=C1 AT18117 [0,2,0,0,0,0|1,0,0]=3 375 B9R1.15 NCC1=CC=CN=C1Cl 37571 [0,2,0,0,0,0|1,0,0]=3 376 B9R1.15 NCC1=CC=CN=C1N CL0345 [0,2,0,0,0,0|1,0,0]=3 377 B9R1.15 NCC1=[N+]([O-])C=CC=C1 D86206 [0,2,0,0,0,0|1,0,0]=3 378 B9R1.15 NNC1=C(Br)C=CC=N1 F30216 [0,2,0,0,0,0|2,0,0]=4 379 B9R1.15 NNC1=CC=CN=C1Cl D76828 [0,2,0,0,0,0|2,0,0]=4 380 B9R1.15 O=CC1=CNC=CC1=O O11278 [0,2,0,0,0,0|1,0,1]=4 381 B9R1.15 OCC1=C(F)C=CN=C1 P11878 [0,2,0,0,0,0|1,0,0]=3 382 B9R1.15 [2H]CC1=C(F)C=CC=C1 D99779 [0,2,0,0,0,0|0,0,0]=2 383 B9R1.15 [C-]#[N+]C1=C(Cl)C=CC=C1 AC9402 [0,2,0,0,0,0|0,0,1]=3 384 B9R1.15 [O-][N+]1=C(CCl)N=CC=C1 AT18290 [0,2,0,0,0,0|2,0,0]=4 385 B9R1.69 BrC1=C(Br)C=C(I)C=C1 T73057 [0,2,0,0,0,0|1,0,0]=3 386 B9R1.69 BrC1=CN=C(I)C(Br)=C1 AT22131 [0,2,0,0,0,0|2,0,0]=4 387 B9R1.69 CC1=C(C)N=C(Br)C=C1 F16237 [0,2,0,0,0,0|1,0,0]=3 388 B9R1.69 CC1=C(C)N=C(O)C=C1 F51184 [0,2,0,0,0,0|1,0,0]=3 389 B9R1.69 CC1=C(C)NC(=O)C=C1 F52969 [0,2,0,0,0,0|1,0,0]=3 390 B9R1.69 CC1=C(Cl)C=C(Cl)C=N1 61810 [0,2,0,0,0,0|1,0,0]=3 391 B9R1.69 CC1=C(F)N=C(Br)C=C1 AT22416 [0,2,0,0,0,0|1,0,0]=3 392 B9R1.69 CC1=C(N)C=CC(S)=C1 AT20958 [0,2,0,0,0,0|0,0,0]=2 393 B9R1.69 CC1=C(O)N=C(Cl)N=C1 AC8001 [0,2,0,0,0,0|2,0,0]=4 394 B9R1.69 CC1=C(S)C=C(Br)C=C1 AT20875 [0,2,0,0,0,0|0,0,0]=2 395 B9R1.69 CC1=C(S)C=C(N)C=C1 AT20843 [0,2,0,0,0,0|0,0,0]=2 396 B9R1.69 CC1=C(S)C=CC(Br)=C1 AT20848 [0,2,0,0,0,0|0,0,0]=2 397 B9R1.69 CC1=C(S)N=C(S)N=C1 W17242 [0,2,0,0,0,0|2,0,0]=4 398 B9R1.69 CC1=CC(Br)=COC1=O E71746 [0,2,0,0,0,0|1,0,0]=3 399 B9R1.69 CC1=CC(Br)=NC=C1O 96317 [0,2,0,0,0,0|1,0,0]=3 400 B9R1.69 CC1=CC(Br)=NN=C1C AT17779 [0,2,0,0,0,0|2,0,0]=4 401 B9R1.69 CC1=CC(C)=C(N)N=N1 A51049 [0,2,0,0,0,0|2,0,0]=4 402 B9R1.69 CC1=CC(Cl)=NN=C1N AT17812 [0,2,0,0,0,0|2,0,0]=4 403 B9R1.69 CC1=CC(I)=C(Br)N=C1 I10150 [0,2,0,0,0,0|1,0,0]=3 404 B9R1.69 CC1=CC(I)=C(Cl)N=C1 I10136 [0,2,0,0,0,0|1,0,0]=3 405 B9R1.69 CC1=CC(I)=C(O)C=N1 96425 [0,2,0,0,0,0|1,0,0]=3 406 B9R1.69 CC1=CC(I)=NC=C1N 80294 [0,2,0,0,0,0|1,0,0]=3 407 B9R1.69 CC1=CC(N)=C(S)C=C1 AT19644 [0,2,0,0,0,0|0,0,0]=2 408 B9R1.69 CC1=CC(S)=C(Cl)C=C1 AT20814 [0,2,0,0,0,0|0,0,0]=2 409 B9R1.69 CC1=CC(S)=C(N)C=C1 AT19639 [0,2,0,0,0,0|0,0,0]=2 410 B9R1.69 CC1=CC(S)=C(N)C=C1 AT19640 [0,2,0,0,0,0|0,0,0]=2 411 B9R1.69 CC1=CC(S)=C(N)N=N1 P10200 [0,2,0,0,0,0|2,0,0]=4 412 B9R1.69 CC1=CC(S)=NN=C1C AT17808 [0,2,0,0,0,0|2,0,0]=4 413 B9R1.69 CC1=CC=C(Cl)N=C1Br O10690 [0,2,0,0,0,0|1,0,0]=3 414 B9R1.69 CC1=CC=C(I)C(=O)N1 93733 [0,2,0,0,0,0|1,0,0]=3 415 B9R1.69 CC1=CC=C(N)C(N)=N1 C16371 [0,2,0,0,0,0|1,0,0]=3 416 B9R1.69 CC1=CC=C(N)C(O)=N1 68793 [0,2,0,0,0,0|1,0,0]=3 417 B9R1.69 CC1=CN=C(Cl)C=C1F F18561 [0,2,0,0,0,0|1,0,0]=3 418 B9R1.69 CC1=CN=C(N)C(N)=C1 27799 [0,2,0,0,0,0|1,0,0]=3 419 B9R1.69 CC1=CN=C(O)C=C1C AT24357 [0,2,0,0,0,0|1,0,0]=3 420 B9R1.69 CC1=CNC(=O)NC1=S C15659 [0,2,0,0,0,0|2,0,0]=4 421 B9R1.69 CC1=NC(=O)C(N)=CN1 O11345 [0,2,0,0,0,0|2,0,0]=4 422 B9R1.69 CC1=NC(Br)=CN=C1Br N13385 [0,2,0,0,0,0|2,0,0]=4 423 B9R1.69 CC1=NC(Cl)=C(I)C=N1 O11217 [0,2,0,0,0,0|2,0,0]=4 424 B9R1.69 CC1=[N+]([O-])C=C(F)C=C1 AC6175 [0,2,0,0,0,0|1,0,0]=3 425 B9R1.69 CC1=[N+]([O-])C=CC(Cl)=C1 AT14034 [0,2,0,0,0,0|1,0,0]=3 426 B9R1.69 CN1C=CC(=O)C=C1Br C73679 [0,2,0,0,0,0|1,0,0]=3 427 B9R1.69 ClC1=C(Br)C=C(Br)C=C1 N12666 [0,2,0,0,0,0|1,0,0]=3 428 B9R1.69 ClC1=C(Cl)N=C(Br)C=C1 N12997 [0,2,0,0,0,0|2,0,0]=4 429 B9R1.69 ClC1=CC=C(Br)N=C1Br C15980 [0,2,0,0,0,0|2,0,0]=4 430 B9R1.69 FC1=C(Br)C=C(S)C=C1 AT20850 [0,2,0,0,0,0|1,0,0]=3 431 B9R1.69 FC1=C(I)C=C(I)C=C1 AT18537 [0,2,0,0,0,0|1,0,0]=3 432 B9R1.69 FC1=C(S)C=C(Br)C=C1 AT20849 [0,2,0,0,0,0|1,0,0]=3 433 B9R1.69 FC1=C(S)C=C(Cl)C=C1 AT20862 [0,2,0,0,0,0|1,0,0]=3 434 B9R1.69 FC1=CC(Br)=C(S)C=C1 AT20837 [0,2,0,0,0,0|1,0,0]=3 435 B9R1.69 FC1=CC(Cl)=C(I)C=N1 O11206 [0,2,0,0,0,0|2,0,0]=4 436 B9R1.69 FC1=CC(I)=C(Br)N=C1 AT19915 [0,2,0,0,0,0|2,0,0]=4 437 B9R1.69 FC1=CC(I)=C(Cl)N=C1 O10733 [0,2,0,0,0,0|2,0,0]=4 438 B9R1.69 FC1=CC(S)=C(Br)C=C1 AT20853 [0,2,0,0,0,0|1,0,0]=3 439 B9R1.69 NC1=C(Cl)C=C(O)C=N1 D87909 [0,2,0,0,0,0|2,0,0]=4 440 B9R1.69 NC1=C(F)C=C(Br)C=C1 36801 [0,2,0,0,0,0|1,0,0]=3 441 B9R1.69 NC1=C(I)C=C(Cl)C=C1 F13699 [0,2,0,0,0,0|1,0,0]=3 442 B9R1.69 NC1=C(I)C=NC(F)=C1 W19621 [0,2,0,0,0,0|2,0,0]=4 443 B9R1.69 NC1=C(O)C=CC(I)=C1 I10250 [0,2,0,0,0,0|1,0,0]=3 444 B9R1.69 NC1=C(S)C=C(Br)C=C1 AT20886 [0,2,0,0,0,0|1,0,0]=3 445 B9R1.69 NC1=C(S)C=CC(F)=C1 C90392 [0,2,0,0,0,0|1,0,0]=3 446 B9R1.69 NC1=CC(Br)=C(S)C=C1 AT20835 [0,2,0,0,0,0|1,0,0]=3 447 B9R1.69 NC1=CC(Cl)=C(S)C=C1 AT20821 [0,2,0,0,0,0|1,0,0]=3 448 B9R1.69 NC1=CC(F)=CN=C1O AT11534 [0,2,0,0,0,0|2,0,0]=4 449 B9R1.69 NC1=CC(F)=CNC1=O AT11533 [0,2,0,0,0,0|2,0,0]=4 450 B9R1.69 NC1=CC(I)=C(F)C=C1 98239 [0,2,0,0,0,0|1,0,0]=3 451 B9R1.69 NC1=CC(O)=C(Br)C=C1 C91066 [0,2,0,0,0,0|1,0,0]=3 452 B9R1.69 NC1=CC(S)=C(Cl)C=C1 AT20816 [0,2,0,0,0,0|1,0,0]=3 453 B9R1.69 NC1=CC=C(Br)C(=O)N1 AT18218 [0,2,0,0,0,0|2,0,0]=4 454 B9R1.69 NC1=CC=C(F)C(Cl)=N1 91518 [0,2,0,0,0,0|2,0,0]=4 455 B9R1.69 NC1=CC=C(F)C(F)=N1 N16971 [0,2,0,0,0,0|2,0,0]=4 456 B9R1.69 NC1=CN=C(Cl)C=C1N SC3001 [0,2,0,0,0,0|2,0,0]=4 457 B9R1.69 NC1=CNC(=O)C=C1Cl 94340 [0,2,0,0,0,0|2,0,0]=4 458 B9R1.69 NC1=NC(N)=C(Cl)C=C1 D87713 [0,2,0,0,0,0|2,0,0]=4 459 B9R1.69 O=C1C=C(Cl)C(Br)=CN1 C90977 [0,2,0,0,0,0|2,0,0]=4 460 B9R1.69 O=C1C=C(O)C(Cl)=CN1 43948 [0,2,0,0,0,0|2,0,0]=4 461 B9R1.69 O=C1OC=C(Br)C=C1Br 51893 [0,2,0,0,0,0|2,0,0]=4 462 B9R1.69 OC1=C(Br)C=NC(F)=C1 F30342 [0,2,0,0,0,0|2,0,0]=4 463 B9R1.69 OC1=C(Cl)N=C(Br)C=C1 F30996 [0,2,0,0,0,0|2,0,0]=4 464 B9R1.69 OC1=C(I)C=C(F)C=N1 D74689 [0,2,0,0,0,0|2,0,0]=4 465 B9R1.69 OC1=C(I)C=C(F)N=C1 AT19114 [0,2,0,0,0,0|2,0,0]=4 466 B9R1.69 OC1=C(I)C=CC(Cl)=N1 N10090 [0,2,0,0,0,0|2,0,0]=4 467 B9R1.69 OC1=C(I)C=NC(F)=C1 E71631 [0,2,0,0,0,0|2,0,0]=4 468 B9R1.69 OC1=CC(Br)=NC=C1Br 94341 [0,2,0,0,0,0|2,0,0]=4 469 B9R1.69 OC1=CC(Cl)=CN=C1Cl 92617 [0,2,0,0,0,0|2,0,0]=4 470 B9R1.69 OC1=CC(Cl)=CN=C1I C92793 [0,2,0,0,0,0|2,0,0]=4 471 B9R1.69 OC1=CC(F)=CN=C1I C91418 [0,2,0,0,0,0|2,0,0]=4 472 B9R1.69 OC1=CC(I)=C(F)C=C1 79298 [0,2,0,0,0,0|1,0,0]=3 473 B9R1.69 OC1=CC(S)=C(O)C=C1 79473 [0,2,0,0,0,0|1,0,0]=3 474 B9R1.69 OC1=NC(Br)=C(I)C=C1 N10163 [0,2,0,0,0,0|2,0,0]=4 475 B9R1.69 OC1=NC(Cl)=C(Br)C=C1 AC3279 [0,2,0,0,0,0|2,0,0]=4 476 B9R1.69 SC1=C(Br)C=CC(Cl)=C1 AT20839 [0,2,0,0,0,0|1,0,0]=3 477 B9R1.69 SC1=C(Cl)C=C(Br)C=C1 AT20954 [0,2,0,0,0,0|1,0,0]=3 478 B9R1.69 SC1=CC(Cl)=C(Br)C=C1 AT20846 [0,2,0,0,0,0|1,0,0]=3 479 B9R1.69 [BH3-]C1=C(F)C=NC(N)=C1 AC8350 [0,2,0,0,0,0|2,0,0]=4 480 B9R1.69 [O-][N+]1=C(Cl)C=C(I)C=C1 W15291 [0,2,0,0,0,0|2,0,0]=4 481 B9R1.69 [O-][N+]1=C(Cl)C=CC(Cl)=C1 32966 [0,2,0,0,0,0|2,0,0]=4 482 B9R1.69 [O-][N+]1=CC(Br)=C(Cl)C=C1 O10961 [0,2,0,0,0,0|2,0,0]=4 483 B9R1.3 CC1=C(Br)C(=O)NC=C1 29620 [0,2,0,0,0,0|1,0,0]=3 484 B9R1.3 CC1=C(F)C(=O)NC=N1 54993 [0,2,0,0,0,0|2,0,0]=4 485 B9R1.3 CC1=C(F)C(Br)=NC=N1 54994 [0,2,0,0,0,0|2,0,0]=4 486 B9R1.3 CC1=C(F)C(Cl)=NC=N1 C77032 [0,2,0,0,0,0|2,0,0]=4 487 B9R1.3 CC1=C(F)C=NC=C1O AC4170 [0,2,0,0,0,0|1,0,0]=3 488 B9R1.3 CC1=C(I)C(=O)C=CN1 D84797 [0,2,0,0,0,0|1,0,0]=3 489 B9R1.3 CC1=C(N)C(Cl)=NC=N1 W15310 [0,2,0,0,0,0|2,0,0]=4 490 B9R1.3 CC1=CC=CC(S)=C1C F20973 [0,2,0,0,0,0|0,0,0]=2 491 B9R1.3 CC1=CC=CC(S)=C1N AT19641 [0,2,0,0,0,0|0,0,0]=2 492 B9R1.3 CC1=CC=NC(C)=C1O F17537 [0,2,0,0,0,0|1,0,0]=3 493 B9R1.3 CC1=CC=NC(Cl)=C1I H11415 [0,2,0,0,0,0|1,0,0]=3 494 B9R1.3 CC1=CC=NC(F)=C1I AT21585 [0,2,0,0,0,0|1,0,0]=3 495 B9R1.3 CC1=CC=NC(N)=C1Cl D71951 [0,2,0,0,0,0|1,0,0]=3 496 B9R1.3 CC1=CC=NC(N)=C1I 65853 [0,2,0,0,0,0|1,0,0]=3 497 B9R1.3 CC1=CN=NC(N)=C1Br AT10447 [0,2,0,0,0,0|2,0,0]=4 498 B9R1.3 CC1=NC=CC(Cl)=C1N O11210 [0,2,0,0,0,0|1,0,0]=3 499 B9R1.3 CC1=NC=CC(N)=C1Br D96170 [0,2,0,0,0,0|1,0,0]=3 500 B9R1.3 CC1=NC=C[N+]([O-])=C1Cl F18066 [0,2,0,0,0,0|2,0,0]=4 501 B9R1.3 CC1=NC=NC(C)=C1N AT18386 [0,2,0,0,0,0|2,0,0]=4 502 B9R1.3 CN1C(=O)C=CN=C1N AT13875 [0,2,0,0,0,0|2,0,0]=4 503 B9R1.3 CN1C=CN=C(Cl)C1=O AT19208 [0,2,0,0,0,0|2,0,0]=4 504 B9R1.3 CN1C=CN=C(N)C1=O AT13880 [0,2,0,0,0,0|2,0,0]=4 505 B9R1.3 CN1N=CC=C(Cl)C1=O 55553 [0,2,0,0,0,0|2,0,0]=4 506 B9R1.3 ClC1=CC=NC(Br)=C1I C11069 [0,2,0,0,0,0|2,0,0]=4 507 B9R1.3 ClC1=CN=CC(Br)=C1Br O10907 [0,2,0,0,0,0|2,0,0]=4 508 B9R1.3 FC1=CC=CC(Br)=C1S AT20836 [0,2,0,0,0,0|1,0,0]=3 509 B9R1.3 FC1=CC=CC(Cl)=C1S AT20825 [0,2,0,0,0,0|1,0,0]=3 510 B9R1.3 FC1=CN=CC(F)=C1Br 24292 [0,2,0,0,0,0|2,0,0]=4 511 B9R1.3 FC1=CN=CC(F)=C1F C76146 [0,2,0,0,0,0|2,0,0]=4 512 B9R1.3 F[N+]1=C(Cl)C=CC=C1Cl C14552 [0,2,0,0,0,0|2,0,0]=4 513 B9R1.3 NC1=C(F)C(=O)NC=C1 F18691 [0,2,0,0,0,0|2,0,0]=4 514 B9R1.3 NC1=C(S)C=CC=C1F C16304 [0,2,0,0,0,0|1,0,0]=3 515 B9R1.3 NC1=CC=CC(Cl)=C1S AT19651 [0,2,0,0,0,0|1,0,0]=3 516 B9R1.3 NC1=CC=CC(I)=C1Cl D96226 [0,2,0,0,0,0|1,0,0]=3 517 B9R1.3 NC1=CC=CC(N)=C1N C75845 [0,2,0,0,0,0|1,0,0]=3 518 B9R1.3 NC1=CC=CC(N)=C1O O10621 [0,2,0,0,0,0|1,0,0]=3 519 B9R1.3 NC1=CC=CC(O)=C1O 30915 [0,2,0,0,0,0|1,0,0]=3 520 B9R1.3 NC1=NC=CC(N)=C1N 98115 [0,2,0,0,0,0|2,0,0]=4 521 B9R1.3 NC1=NC=CC(N)=C1N CS1386 [0,2,0,0,0,0|2,0,0]=4 522 B9R1.3 O=C1NC=CC(Br)=C1Br 91734 [0,2,0,0,0,0|2,0,0]=4 523 B9R1.3 OC1=CC=CC(I)=C1O D82483 [0,2,0,0,0,0|1,0,0]=3 524 B9R1.3 OC1=CC=NC(F)=C1Cl 91690 [0,2,0,0,0,0|2,0,0]=4 525 B9R1.3 OC1=CN=CC(Br)=C1F N16972 [0,2,0,0,0,0|2,0,0]=4 526 B9R1.3 [2H]C1=CC=CC(I)=C1[2H] D97970 [0,2,0,0,0,0|1,0,0]=3 527 B9R1.34 CC1=CC(Cl)=CC(F)=N1 91500 [0,2,0,0,0,0|1,0,0]=3 528 B9R1.34 CC1=CC(F)=CC(F)=N1 C16435 [0,2,0,0,0,0|1,0,0]=3 529 B9R1.34 CC1=CC(F)=NC(N)=N1 92215 [0,2,0,0,0,0|2,0,0]=4 530 B9R1.34 CC1=CC(I)=CC(C)=N1 O11249 [0,2,0,0,0,0|1,0,0]=3 531 B9R1.34 CC1=CC(N)=CC(=O)O1 W11226 [0,2,0,0,0,0|1,0,0]=3 532 B9R1.34 CC1=CC(N)=CC(O)=N1 D80759 [0,2,0,0,0,0|1,0,0]=3 533 B9R1.34 CC1=CC(O)=CC(Cl)=N1 C15794 [0,2,0,0,0,0|1,0,0]=3 534 B9R1.34 ClC1=CC(I)=CC(Br)=N1 AT13204 [0,2,0,0,0,0|2,0,0]=4 535 B9R1.34 NC1=CC(Br)=CC(F)=N1 E71786 [0,2,0,0,0,0|2,0,0]=4 536 B9R1.34 NC1=CC(Br)=CC(O)=C1 53862 [0,2,0,0,0,0|1,0,0]=3 537 B9R1.34 NC1=CC(I)=CC(I)=C1 59844 [0,2,0,0,0,0|1,0,0]=3 538 B9R1.34 NC1=CC(O)=CC(O)=C1 11229 [0,2,0,0,0,0|1,0,0]=3 539 B9R1.34 SC1=CC(Br)=CC(Cl)=C1 AT20882 [0,2,0,0,0,0|1,0,0]=3 540 B9R1.34 SC1=CC(S)=CC(S)=C1 T70854 [0,2,0,0,0,0|1,0,0]=3 541 B9R1.34 [2H]C1=CC([2H])=CC(Cl)=C1 D99131 [0,2,0,0,0,0|1,0,0]=3 542 B9R1.34 [2H]C1=CC([2H])=CC(O)=C1 D99082 [0,2,0,0,0,0|1,0,0]=3 543 B9R1.34 [O-][N+]1=CC(O)=CC(Cl)=C1 AB22391 [0,2,0,0,0,0|2,0,0]=4 544 B5R1.1 C1=CNC=N1 AT25065 [1,0,0,0,1,0|2,0,0]=4 545 B5R1.1 C1=CNC=N1 T71525 [1,0,0,0,1,0|2,0,0]=4 546 B5R1.1 C1=CNC=N1 T72823 [1,0,0,0,1,0|2,0,0]=4