0 B6R1.2 BrC1=CC=NS1 AT21099 [0,0,0,0,0,0|2,1,0]=3 1 B6R1.2 CC1=CN=CO1 C77581 [0,0,0,0,0,0|1,0,0]=1 2 B6R1.2 CC1=NC=CO1 O10838 [0,0,0,0,0,0|1,0,0]=1 3 B6R1.2 CC1=NSC=C1 AC6637 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 ClC1=CSN=C1 F13704 [0,0,0,0,0,0|4,0,0]=4 5 B6R1.2 ClC1=NC=CO1 F20650 [0,0,0,0,0,0|2,0,0]=2 6 B6R1.2 ClC1=NC=NN1 O11392 [0,0,0,0,0,0|4,0,0]=4 7 B6R1.2 ClC1=NN=CN1 O10979 [0,0,0,0,0,0|4,0,0]=4 8 B6R1.2 ClC1=NSC=C1 F19768 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 ClC1=NSN=C1 AT12128 [0,0,0,0,0,0|4,0,0]=4 10 B6R1.2 IC1=NN=CS1 C74707 [0,0,0,0,0,0|3,1,0]=4 11 B6R1.2 NC1=CC=CS1 44128 [0,0,0,0,0,0|1,1,0]=2 12 B6R1.2 NC1=CC=CS1 F10359 [0,0,0,0,0,0|1,1,0]=2 13 B6R1.2 NC1=CC=NS1 W16800 [0,0,0,0,0,0|2,1,0]=3 14 B6R1.2 NC1=CNC=N1 P20245 [0,0,0,0,0,0|3,0,0]=3 15 B6R1.2 NC1=CNN=N1 AT26923 [0,0,0,0,0,0|4,0,0]=4 16 B6R1.2 OC1=CON=C1 AT21052 [0,0,0,0,0,0|4,0,0]=4 17 B6R1.2 OC1=NN=CS1 AT18843 [0,0,0,0,0,0|3,1,0]=4 18 B6R1.2 SC1=NC=CO1 AT18533 [0,0,0,0,0,0|2,0,0]=2 19 B6R1.2 [2H]N1C=CC=C1 D98995 [0,0,0,0,0,0|3,0,0]=3 20 B5R1.1 C1=CNC=N1 AT25065 [1,0,0,0,0,0|2,0,0]=3 21 B5R1.1 C1=CNC=N1 T71525 [1,0,0,0,0,0|2,0,0]=3 22 B5R1.1 C1=CNC=N1 T72823 [1,0,0,0,0,0|2,0,0]=3 23 B5R1.1 C1=NCCO1 F18129 [1,0,0,0,0,0|1,0,2]=4 24 B7R1.1 BrCC1=CN=CS1 70967 [0,1,0,0,0,0|1,1,0]=3 25 B7R1.1 BrCC1=CNC=N1 AT15560 [0,1,0,0,0,0|2,0,0]=3 26 B7R1.1 BrCC1=COC=N1 F13651 [0,1,0,0,0,0|2,0,0]=3 27 B7R1.1 BrCC1=CSC=N1 70966 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.1 BrCC1=NSN=C1 AT12137 [0,1,0,0,0,0|3,0,0]=4 29 B7R1.1 C=CC1=NC=CS1 C72532 [0,1,0,0,0,0|1,1,1]=4 30 B7R1.1 CCC1=CN=CO1 C77473 [0,1,0,0,0,0|1,0,0]=2 31 B7R1.1 CCC1=COC=N1 C77618 [0,1,0,0,0,0|2,0,0]=3 32 B7R1.1 CCC1=NN=CN1 AT12320 [0,1,0,0,0,0|3,0,0]=4 33 B7R1.1 CNC1=CNN=C1 AT23101 [0,1,0,0,0,0|3,0,0]=4 34 B7R1.1 CNC1=NC=CS1 H11141 [0,1,0,0,0,0|1,1,0]=3 35 B7R1.1 CNC1=NN=CO1 AT18791 [0,1,0,0,0,0|2,0,0]=3 36 B7R1.1 CNC1=NN=CS1 71255 [0,1,0,0,0,0|2,1,0]=4 37 B7R1.1 COC1=NSC=C1 AT11777 [0,1,0,0,0,0|2,0,0]=3 38 B7R1.1 ClCC1=CN=CS1 F13827 [0,1,0,0,0,0|1,1,0]=3 39 B7R1.1 ClCC1=CNC=N1 70851 [0,1,0,0,0,0|2,0,0]=3 40 B7R1.1 ClCC1=COC=N1 C16353 [0,1,0,0,0,0|2,0,0]=3 41 B7R1.1 ClCC1=CSC=C1 AT17055 [0,1,0,0,0,0|2,0,0]=3 42 B7R1.1 ClCC1=NC=CN1 35198 [0,1,0,0,0,0|2,0,0]=3 43 B7R1.1 ClCC1=NC=CS1 AC6679 [0,1,0,0,0,0|1,1,0]=3 44 B7R1.1 ClCC1=NN=CO1 C90532 [0,1,0,0,0,0|2,0,0]=3 45 B7R1.1 ClCN1C=CC=N1 79341 [0,1,0,0,0,0|2,0,0]=3 46 B7R1.1 NCC1=CC=NN1 P10323 [0,1,0,0,0,0|2,0,0]=3 47 B7R1.1 NCC1=CC=NS1 AT13366 [0,1,0,0,0,0|1,1,0]=3 48 B7R1.1 NCC1=CNC=N1 C90275 [0,1,0,0,0,0|2,0,0]=3 49 B7R1.1 NCC1=CNN=C1 83328 [0,1,0,0,0,0|3,0,0]=4 50 B7R1.1 NCC1=COC=C1 61502 [0,1,0,0,0,0|2,0,0]=3 51 B7R1.1 NCC1=COC=N1 73632 [0,1,0,0,0,0|2,0,0]=3 52 B7R1.1 NCC1=CSN=C1 AT21214 [0,1,0,0,0,0|3,0,0]=4 53 B7R1.1 NCC1=NC=NN1 S10770 [0,1,0,0,0,0|3,0,0]=4 54 B7R1.1 NCC1=NN=CO1 AT18772 [0,1,0,0,0,0|2,0,0]=3 55 B7R1.1 NCC1=NNC=N1 C14327 [0,1,0,0,0,0|3,0,0]=4 56 B7R1.1 NCC1=NSC=C1 P10783 [0,1,0,0,0,0|2,0,0]=3 57 B7R1.1 NNC1=CC=CS1 W17128 [0,1,0,0,0,0|1,1,0]=3 58 B7R1.1 NNC1=NC=CN1 25904 [0,1,0,0,0,0|3,0,0]=4 59 B7R1.1 NNC1=NC=CS1 D87841 [0,1,0,0,0,0|2,1,0]=4 60 B7R1.1 OCC1=CC=CN1 AT16114 [0,1,0,0,0,0|1,0,0]=2 61 B7R1.1 OCC1=CC=NN1 H11417 [0,1,0,0,0,0|2,0,0]=3 62 B7R1.1 OCC1=NC=CN1 D72609 [0,1,0,0,0,0|2,0,0]=3 63 B7R1.1 OCC1=NNN=C1 D78628 [0,1,0,0,0,0|3,0,0]=4 64 B7R1.1 OCC1=NON=C1 D74166 [0,1,0,0,0,0|3,0,0]=4 65 B7R1.1 SCC1=CC=CS1 T72725 [0,1,0,0,0,0|0,1,0]=2 66 B7R1.2 BrC1=CN=C(I)N1 P17529 [0,1,0,0,0,0|3,0,0]=4 67 B7R1.2 BrC1=CN=C(I)S1 89501 [0,1,0,0,0,0|2,1,0]=4 68 B7R1.2 BrC1=CNC(Br)=N1 C16160 [0,1,0,0,0,0|3,0,0]=4 69 B7R1.2 BrC1=CSC(I)=C1 F10349 [0,1,0,0,0,0|1,1,0]=3 70 B7R1.2 BrC1=NC=C(I)S1 F16091 [0,1,0,0,0,0|2,1,0]=4 71 B7R1.2 CC1=CC(Br)=CO1 I11460 [0,1,0,0,0,0|0,0,0]=1 72 B7R1.2 CC1=CC(N)=CS1 27442 [0,1,0,0,0,0|0,1,0]=2 73 B7R1.2 CC1=CC(N)=NS1 A51223 [0,1,0,0,0,0|1,1,0]=3 74 B7R1.2 CC1=CC=C(S)S1 AT16550 [0,1,0,0,0,0|0,1,0]=2 75 B7R1.2 CC1=CN=C(C)O1 AC5679 [0,1,0,0,0,0|1,0,0]=2 76 B7R1.2 CC1=CN=C(Cl)O1 AT18559 [0,1,0,0,0,0|1,0,0]=2 77 B7R1.2 CC1=CN=C(N)N1 27977 [0,1,0,0,0,0|2,0,0]=3 78 B7R1.2 CC1=COC(Br)=N1 AT18461 [0,1,0,0,0,0|2,0,0]=3 79 B7R1.2 CC1=COC(Cl)=N1 A51023 [0,1,0,0,0,0|2,0,0]=3 80 B7R1.2 CC1=CSC(N)=C1 N12877 [0,1,0,0,0,0|1,1,0]=3 81 B7R1.2 CC1=CSC(N)=C1 S11464 [0,1,0,0,0,0|1,1,0]=3 82 B7R1.2 CC1=CSC(S)=C1 AT16548 [0,1,0,0,0,0|1,1,0]=3 83 B7R1.2 CC1=NC(Br)=NN1 98648 [0,1,0,0,0,0|3,0,0]=4 84 B7R1.2 CC1=NC(Cl)=NN1 AT12255 [0,1,0,0,0,0|3,0,0]=4 85 B7R1.2 CC1=NC(N)=CS1 AC2762 [0,1,0,0,0,0|1,1,0]=3 86 B7R1.2 CC1=NC=C(Br)O1 AT18670 [0,1,0,0,0,0|1,0,0]=2 87 B7R1.2 CC1=NC=C(Cl)S1 AT15021 [0,1,0,0,0,0|1,1,0]=3 88 B7R1.2 CC1=NC=C(N)S1 D85841 [0,1,0,0,0,0|1,1,0]=3 89 B7R1.2 CC1=NN=C(Cl)O1 AT18769 [0,1,0,0,0,0|2,0,0]=3 90 B7R1.2 CC1=NN=C(I)O1 AT18781 [0,1,0,0,0,0|2,0,0]=3 91 B7R1.2 CC1=NN=C(I)S1 AT18990 [0,1,0,0,0,0|2,1,0]=4 92 B7R1.2 CC1=NSC(I)=C1 W12926 [0,1,0,0,0,0|2,0,0]=3 93 B7R1.2 CC1=NSC(I)=N1 E72754 [0,1,0,0,0,0|3,0,0]=4 94 B7R1.2 CC1=NSC(N)=C1 C77679 [0,1,0,0,0,0|2,0,0]=3 95 B7R1.2 CN1C=C(F)C=N1 D79458 [0,1,0,0,0,0|2,0,0]=3 96 B7R1.2 CN1C=CC(N)=C1 77871 [0,1,0,0,0,0|2,0,0]=3 97 B7R1.2 CN1C=C[N+](C)=C1 91466 [0,1,0,0,0,0|3,0,0]=4 98 B7R1.2 CN1C=NC(=O)N1 AT21263 [0,1,0,0,0,0|3,0,0]=4 99 B7R1.2 CN1C=NC(Cl)=N1 AT12342 [0,1,0,0,0,0|3,0,0]=4 100 B7R1.2 CN1C=NC(N)=C1 F13269 [0,1,0,0,0,0|3,0,0]=4 101 B7R1.2 CN1C=NC(N)=N1 AT12103 [0,1,0,0,0,0|3,0,0]=4 102 B7R1.2 CN1N=CC(N)=N1 F13454 [0,1,0,0,0,0|3,0,0]=4 103 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [0,1,0,0,0,0|1,0,2]=4 104 B7R1.2 ClC1=CC=C(I)S1 C74472 [0,1,0,0,0,0|1,1,0]=3 105 B7R1.2 ClC1=CSC(Br)=C1 AT16371 [0,1,0,0,0,0|1,1,0]=3 106 B7R1.2 FC1=NC(Br)=CS1 AT14873 [0,1,0,0,0,0|2,1,0]=4 107 B7R1.2 IC1=COC(I)=N1 D76854 [0,1,0,0,0,0|2,0,0]=3 108 B7R1.2 NC1=CC(N)=NN1 F17293 [0,1,0,0,0,0|3,0,0]=4 109 B7R1.2 NC1=CC(N)=NO1 AT19796 [0,1,0,0,0,0|2,0,0]=3 110 B7R1.2 NC1=CC=C(Cl)S1 D87671 [0,1,0,0,0,0|1,1,0]=3 111 B7R1.2 NC1=CN=C(N)S1 C90580 [0,1,0,0,0,0|2,1,0]=4 112 B7R1.2 NC1=CSC(Br)=N1 70972 [0,1,0,0,0,0|2,1,0]=4 113 B7R1.2 NC1=CSC(Cl)=C1 38492 [0,1,0,0,0,0|1,1,0]=3 114 B7R1.2 NC1=CSC(Cl)=C1 P13129 [0,1,0,0,0,0|1,1,0]=3 115 B7R1.2 O=C1C=C(O)CN1 F14818 [0,1,0,0,0,0|2,0,1]=4 116 B7R1.2 O=C1C=C[C@@H](O)C1 86326 [0,1,0,0,0,0|2,0,1]=4 117 B7R1.2 O=C1NC(O)=CS1 D73417 [0,1,0,0,0,0|2,1,0]=4 118 B7R1.2 SC1=NC=C(Cl)S1 AT15027 [0,1,0,0,0,0|2,1,0]=4 119 B7R1.2 [2H]C1=CC=C([2H])S1 D99575 [0,1,0,0,0,0|1,1,0]=3 120 B7R1.4 BrC1=C(Br)SC=N1 C11305 [0,1,0,0,0,0|2,1,0]=4 121 B7R1.4 BrC1=C(I)C=CS1 AT16380 [0,1,0,0,0,0|1,1,0]=3 122 B7R1.4 CC1=C(Br)C=NN1 O11185 [0,1,0,0,0,0|2,0,0]=3 123 B7R1.4 CC1=C(Br)NN=N1 27531 [0,1,0,0,0,0|3,0,0]=4 124 B7R1.4 CC1=C(Br)OC=C1 F53471 [0,1,0,0,0,0|1,0,0]=2 125 B7R1.4 CC1=C(C)CNC1 AT22666 [0,1,0,0,0,0|2,0,1]=4 126 B7R1.4 CC1=C(I)NN=C1 72687 [0,1,0,0,0,0|3,0,0]=4 127 B7R1.4 CC1=C(N)C=NO1 AT19805 [0,1,0,0,0,0|1,0,0]=2 128 B7R1.4 CC1=C(N)N=CN1 C15418 [0,1,0,0,0,0|2,0,0]=3 129 B7R1.4 CC1=C(N)NN=C1 P11216 [0,1,0,0,0,0|3,0,0]=4 130 B7R1.4 CC1=C(S)C=CS1 A10974 [0,1,0,0,0,0|0,1,0]=2 131 B7R1.4 CC1=CNN=C1I 72684 [0,1,0,0,0,0|3,0,0]=4 132 B7R1.4 CC1=NNC=C1Cl AT10929 [0,1,0,0,0,0|2,0,0]=3 133 B7R1.4 CC1=NOC=C1N AT19806 [0,1,0,0,0,0|2,0,0]=3 134 B7R1.4 CN1N=CC=C1Cl AT15843 [0,1,0,0,0,0|2,0,0]=3 135 B7R1.4 CN1N=CN=C1Cl AT12341 [0,1,0,0,0,0|3,0,0]=4 136 B7R1.4 CN1N=CNC1=O AT21264 [0,1,0,0,0,0|3,0,0]=4 137 B7R1.4 ClC1=C(Br)N=CN1 AT15551 [0,1,0,0,0,0|3,0,0]=4 138 B7R1.4 NC1=C(Br)C=CS1 C16366 [0,1,0,0,0,0|1,1,0]=3 139 B7R1.4 NC1=C(Cl)SC=C1 AT16569 [0,1,0,0,0,0|1,1,0]=3 140 B7R1.4 NC1=C(F)C=NN1 D96709 [0,1,0,0,0,0|3,0,0]=4 141 B7R1.4 NC1=CNN=C1N 37367 [0,1,0,0,0,0|3,0,0]=4 142 B7R1.4 NC1=NOC=C1Cl A50064 [0,1,0,0,0,0|3,0,0]=4 143 B5R0.1 C=C(C)CCC D91296 [0,0,1,0,0,0|1,0,2]=4 144 B5R0.1 C=CCC(=C)C T72918 [0,0,1,0,0,0|1,0,0]=2 145 B5R0.1 C=CC[C@H](C)N AT12969 [0,0,1,0,0,0|1,0,2]=4 146 B5R0.1 C\C(I)=C/CI AC6903 [0,0,1,0,0,0|2,0,1]=4 147 B5R0.1 C\C=C/B(O)O D78549 [0,0,1,0,0,0|2,0,1]=4 148 B5R0.1 C\C=C/C(C)C T72834 [0,0,1,0,0,0|1,0,2]=4 149 B5R0.2 CO\C=C\C#N F16426 [0,0,1,0,0,0|2,0,1]=4 150 B5R0.2 C\C=C\CCN AT22492 [0,0,1,0,0,0|1,0,2]=4 151 B5R0.3 C\C(=C/I)CO E70219 [0,0,1,0,0,0|3,0,0]=4 152 B7R1.3 CC1=CCOCC1 F17726 [0,0,0,0,0,1|1,0,2]=4 153 B7R1.3 ClC1=CC=NC=C1 F17303 [0,0,0,0,0,1|2,0,0]=3 154 B7R1.3 ClC1=CN=NC=C1 F19795 [0,0,0,0,0,1|3,0,0]=4 155 B7R1.3 ClC1=NC=CC=N1 F20795 [0,0,0,0,0,1|2,0,0]=3 156 B7R1.3 ClC1=NC=NC=C1 F18311 [0,0,0,0,0,1|2,0,0]=3 157 B7R1.3 FC1=CC=NC=C1 F19691 [0,0,0,0,0,1|2,0,0]=3 158 B7R1.3 FC1=CN=CN=C1 F14737 [0,0,0,0,0,1|3,0,0]=4 159 B7R1.3 F[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 40525 [0,0,0,0,0,1|2,0,0]=3 160 B7R1.3 IC1=NC=NC=C1 C15557 [0,0,0,0,0,1|2,0,0]=3 161 B7R1.3 O=C1C=NN=CN1 F30273 [0,0,0,0,0,1|3,0,0]=4 162 B7R1.3 OC1=CN=NC=C1 O12057 [0,0,0,0,0,1|3,0,0]=4 163 B7R1.3 SC1=NN=CC=C1 AT13031 [0,0,0,0,0,1|2,0,0]=3 164 B7R1.3 [15NH2]C1=CC=CC=C1 41405 [0,0,0,0,0,1|2,0,0]=3 165 B7R1.3 [2H]C1=CC=CC=C1 D98570 [0,0,0,0,0,1|2,0,0]=3 166 B7R1.3 [2H]C1=CC=NC=C1 D98795 [0,0,0,0,0,1|2,0,0]=3 167 B7R1.3 [2H]C1=NC=CC=C1 D98277 [0,0,0,0,0,1|2,0,0]=3 168 B4R0.1 C=C(Br)C=O AT26024 [1,0,1,0,0,0|2,0,0]=4 169 B4R0.1 C=C=C(C)C T72680 [1,0,1,0,0,0|0,0,2]=4 170 B4R0.2 C=C=CCC T72673 [1,0,1,0,0,0|0,0,2]=4 171 B4R0.2 CC\C=C\Br F11593 [1,0,1,0,0,0|1,0,1]=4 172 B4R0.2 O=C\C=N/O F18478 [1,0,1,0,0,0|2,0,0]=4 173 B4R0.2 O=C\C=N\O F18186 [1,0,1,0,0,0|2,0,0]=4 174 B6R0.1 C=CCC(=O)NO C91025 [0,1,1,0,0,0|1,0,1]=4 175 B6R0.1 C=CC[C@H](O)CN AT10905 [0,1,1,0,0,0|0,0,2]=4 176 B6R0.1 C\C(=C\CO)CO C92111 [0,1,1,0,0,0|1,0,1]=4 177 B6R0.2 C\C(I)=C\C(=O)O W11497 [0,1,1,0,0,0|1,0,1]=4 178 B6R0.3 C=CC(=O)C(C)C C77506 [0,1,1,0,0,0|1,0,1]=4 179 B6R0.3 C=C[C@H](C)[C@H](C)O D85605 [0,1,1,0,0,0|0,0,2]=4 180 B6R0.3 C=C[C@H](C)[C@H](C)O D85606 [0,1,1,0,0,0|0,0,2]=4 181 B6R0.3 C=C[C@H](N)C(=O)O 33549 [0,1,1,0,0,0|1,0,1]=4 182 B6R0.3 C=C[C@H](N)C(=O)O 33604 [0,1,1,0,0,0|1,0,1]=4 183 B6R0.3 C=C[C@H](N)C(=O)O F31266 [0,1,1,0,0,0|1,0,1]=4 184 B6R0.3 C\C=C(/Cl)C(=O)O A50964 [0,1,1,0,0,0|1,0,1]=4 185 B6R0.4 C=C\C=C/C(=O)O C74528 [0,1,1,0,0,0|1,0,0]=3 186 B6R0.4 C=C\C=C\C(=O)O 35918 [0,1,1,0,0,0|1,0,0]=3 187 B6R0.6 CCO\C=C\C=O F18326 [0,1,1,0,0,0|0,0,1]=3 188 B6R0.6 O=C\C=C\C=C\[O-] 98104 [0,1,1,0,0,0|0,0,2]=4 189 B8R1.2 BrCC1=CN=CN=C1 F52462 [0,1,0,0,0,1|2,0,0]=4 190 B8R1.2 BrCC1=NC=CC=N1 D79434 [0,1,0,0,0,1|1,0,0]=3 191 B8R1.2 C=CC1=CC=CN=C1 71366 [0,1,0,0,0,1|1,0,1]=4 192 B8R1.2 C=CC1=NC=CN=C1 T72447 [0,1,0,0,0,1|1,0,1]=4 193 B8R1.2 CNC1=CC=CN=N1 79165 [0,1,0,0,0,1|1,0,0]=3 194 B8R1.2 CSC1=NC=CC=N1 O10841 [0,1,0,0,0,1|1,0,0]=3 195 B8R1.2 ClCC1=NC=NC=C1 A10562 [0,1,0,0,0,1|1,0,0]=3 196 B8R1.2 NCC1=CC=CC=C1 T70846 [0,1,0,0,0,1|1,0,0]=3 197 B8R1.2 NC[C@H]1CCC=CO1 P10036 [0,1,0,0,0,1|0,0,2]=4 198 B8R1.2 NNC1=CC=CN=N1 C15759 [0,1,0,0,0,1|2,0,0]=4 199 B8R1.2 NNC1=NC=NC=C1 57488 [0,1,0,0,0,1|2,0,0]=4 200 B8R1.2 OCC1=CCCCO1 S11090 [0,1,0,0,0,1|0,0,2]=4 201 B8R1.2 SCC1=NC=CN=C1 78318 [0,1,0,0,0,1|1,0,0]=3 202 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [0,1,0,0,0,1|2,0,0]=4 203 B8R1.3 BrC1=NN=C(I)C=C1 AT17784 [0,1,0,0,0,1|2,0,0]=4 204 B8R1.3 CC1=CN=C(C)N=C1 C15366 [0,1,0,0,0,1|1,0,0]=3 205 B8R1.3 CC1=CN=C(Cl)N=C1 F13414 [0,1,0,0,0,1|2,0,0]=4 206 B8R1.3 CC1=CN=C(I)N=C1 90174 [0,1,0,0,0,1|2,0,0]=4 207 B8R1.3 CC1=CN=C(O)N=C1 W10551 [0,1,0,0,0,1|2,0,0]=4 208 B8R1.3 CC1=NC=C(I)C=N1 82252 [0,1,0,0,0,1|1,0,0]=3 209 B8R1.3 FC1=CN=C(I)N=C1 89571 [0,1,0,0,0,1|2,0,0]=4 210 B8R1.3 FC1=NC=C(Cl)C=N1 AT18407 [0,1,0,0,0,1|2,0,0]=4 211 B8R1.3 NC1=CC=C(N)N=N1 D78632 [0,1,0,0,0,1|2,0,0]=4 212 B8R1.3 NC1=CN=C(O)C=N1 N13380 [0,1,0,0,0,1|2,0,0]=4 213 B8R1.3 NC1=CN=C(S)C=C1 AT20609 [0,1,0,0,0,1|2,0,0]=4 214 B8R1.3 NC1=NC=C(O)C=N1 D78823 [0,1,0,0,0,1|2,0,0]=4 215 B8R1.3 NC1=NC=C([S-])C=N1 F51717 [0,1,0,0,0,1|2,0,0]=4 216 B8R1.3 NC1=NNC(=O)C=C1 AT17777 [0,1,0,0,0,1|2,0,0]=4 217 B8R1.3 O=C1C=CC(=O)N=N1 83325 [0,1,0,0,0,1|2,0,0]=4 218 B8R1.3 O=C1C=CC(F)=NN1 AT24740 [0,1,0,0,0,1|2,0,0]=4 219 B8R1.3 S=C1N=CC(Cl)=CN1 O11414 [0,1,0,0,0,1|2,0,0]=4 220 B8R1.3 [2H]C1=CC=C(Cl)C=C1 D98354 [0,1,0,0,0,1|2,0,0]=4 221 B8R1.3 [2H]C1=CC=C([2H])C=C1 D99669 [0,1,0,0,0,1|2,0,0]=4 222 B8R1.4 BrC1=CC(I)=NC=C1 A10666 [0,1,0,0,0,1|2,0,0]=4 223 B8R1.4 CC1=CC(I)=NC=C1 D87895 [0,1,0,0,0,1|1,0,0]=3 224 B8R1.4 CC1=CC=NC(I)=N1 N13215 [0,1,0,0,0,1|1,0,0]=3 225 B8R1.4 CC1=NC(N)=CN=N1 D86296 [0,1,0,0,0,1|2,0,0]=4 226 B8R1.4 C[C@H]1CC(=O)C=CO1 F50263 [0,1,0,0,0,1|0,0,1]=3 227 B8R1.4 ClC1=CC(I)=NC=N1 A51177 [0,1,0,0,0,1|2,0,0]=4 228 B8R1.4 ClC1=CC=NC(Br)=N1 81850 [0,1,0,0,0,1|2,0,0]=4 229 B8R1.4 FC1=NC=CC(Br)=N1 AT18301 [0,1,0,0,0,1|2,0,0]=4 230 B8R1.4 NC1=CC=CC(=S)N1 C15708 [0,1,0,0,0,1|2,0,0]=4 231 B8R1.4 O=C1C=C(S)NC=N1 FD7370 [0,1,0,0,0,1|2,0,0]=4 232 B8R1.4 O=C1C=CNC(=O)O1 C15625 [0,1,0,0,0,1|1,0,0]=3 233 B8R1.4 OC1=CC(I)=CN=C1 D74429 [0,1,0,0,0,1|2,0,0]=4 234 B8R1.4 SC1=CC(Br)=CN=C1 P12662 [0,1,0,0,0,1|2,0,0]=4 235 B8R1.4 [2H]C1=CC=CC([2H])=C1 D99674 [0,1,0,0,0,1|2,0,0]=4 236 B8R1.4 [2H]C1=CC=CC([2H])=N1 D98925 [0,1,0,0,0,1|2,0,0]=4 237 B8R1.5 BrC1=CN=CN=C1I P11647 [0,1,0,0,0,1|2,0,0]=4 238 B8R1.5 CC1=CC=NNC1=O 20227 [0,1,0,0,0,1|2,0,0]=4 239 B8R1.5 CC1=CN=CN=C1Cl 72600 [0,1,0,0,0,1|2,0,0]=4 240 B8R1.5 CC1=CN=NC=C1C C15709 [0,1,0,0,0,1|2,0,0]=4 241 B8R1.5 CC1=NC=CN=C1I P10643 [0,1,0,0,0,1|1,0,0]=3 242 B8R1.5 CC1=[N+](C)C=CC=C1 D87448 [0,1,0,0,0,1|1,0,0]=3 243 B8R1.5 C[C@H]1C=NC=CC1=S AT18149 [0,1,0,0,0,1|1,0,1]=4 244 B8R1.5 FC1=C(F)C=NC=C1 O10910 [0,1,0,0,0,1|2,0,0]=4 245 B8R1.5 FC1=CC=CN=C1S AT18759 [0,1,0,0,0,1|2,0,0]=4 246 B8R1.5 FC1=NC=CN=C1I D76573 [0,1,0,0,0,1|2,0,0]=4 247 B8R1.5 IC1=NC=CN=C1I N13386 [0,1,0,0,0,1|2,0,0]=4 248 B8R1.5 NC1=C(S)C=NC=C1 P11896 [0,1,0,0,0,1|2,0,0]=4 249 B8R1.5 O=C1NC=NC=C1Cl P12334 [0,1,0,0,0,1|2,0,0]=4 250 B8R1.5 O=C1NC=NC=C1I P13009 [0,1,0,0,0,1|2,0,0]=4 251 B8R1.5 O=C1OCCC=C1Br AC2797 [0,1,0,0,0,1|1,0,1]=4 252 B8R1.5 OC1=C(Cl)C=NC=N1 25825 [0,1,0,0,0,1|2,0,0]=4 253 B8R1.5 OC1=[13C](O)C=CC=C1 D98565 [0,1,0,0,0,1|2,0,0]=4 254 B8R1.5 S=C1C=CNC=C1Cl AT18152 [0,1,0,0,0,1|2,0,0]=4 255 B8R1.5 [2H]C1=C([2H])C=CC=C1 D97880 [0,1,0,0,0,1|2,0,0]=4 256 B8R1.5 [O-][N+]1=C([S-])C=CC=C1 S12409 [0,1,0,0,0,1|2,0,0]=4 257 B8R1.1 BrCC1=CC(Br)=NO1 69283 [0,2,0,0,0,0|1,0,0]=3 258 B8R1.1 BrCC1=CC=C(Br)O1 55253 [0,2,0,0,0,0|0,0,0]=2 259 B8R1.1 BrCC1=CC=C(Br)S1 AC9027 [0,2,0,0,0,0|0,1,0]=3 260 B8R1.1 BrCC1=CSC(Br)=C1 AT16378 [0,2,0,0,0,0|1,1,0]=4 261 B8R1.1 BrCC1=CSC(Br)=N1 AT14625 [0,2,0,0,0,0|2,0,0]=4 262 B8R1.1 BrCC1=NC(Br)=CS1 82078 [0,2,0,0,0,0|1,1,0]=4 263 B8R1.1 BrCC1=NC=C(Br)S1 AT14726 [0,2,0,0,0,0|1,1,0]=4 264 B8R1.1 C#CC1=CC=C(Cl)S1 C14710 [0,2,0,0,0,0|0,1,1]=4 265 B8R1.1 C#CC1=CSC(Cl)=C1 P13211 [0,2,0,0,0,0|1,1,0]=4 266 B8R1.1 C#CC1=NC(C)=CS1 C74016 [0,2,0,0,0,0|2,0,0]=4 267 B8R1.1 CC1=CC(CCl)=NN1 AT15945 [0,2,0,0,0,0|2,0,0]=4 268 B8R1.1 CC1=CC(CN)=CO1 AT17525 [0,2,0,0,0,0|0,0,0]=2 269 B8R1.1 CC1=CC(CO)=CO1 AT17479 [0,2,0,0,0,0|0,0,0]=2 270 B8R1.1 CC1=CC(CO)=CS1 AT16765 [0,2,0,0,0,0|0,1,0]=3 271 B8R1.1 CC1=CC(CO)=NN1 O10131 [0,2,0,0,0,0|2,0,0]=4 272 B8R1.1 CC1=CC(CO)=NS1 AT21126 [0,2,0,0,0,0|1,1,0]=4 273 B8R1.1 CC1=CN=C(C=O)O1 AT17128 [0,2,0,0,0,0|1,0,0]=3 274 B8R1.1 CC1=CN=C(CCl)O1 AT18576 [0,2,0,0,0,0|1,0,0]=3 275 B8R1.1 CC1=CN=C(CN)O1 P18975 [0,2,0,0,0,0|1,0,0]=3 276 B8R1.1 CC1=CN=C(CN)S1 32702 [0,2,0,0,0,0|1,1,0]=4 277 B8R1.1 CC1=CN=C(CO)N1 P12877 [0,2,0,0,0,0|2,0,0]=4 278 B8R1.1 CC1=CN=C(CO)O1 AT18512 [0,2,0,0,0,0|1,0,0]=3 279 B8R1.1 CC1=COC(C#N)=C1 AT17407 [0,2,0,0,0,0|0,0,1]=3 280 B8R1.1 CC1=COC(CO)=C1 AT17124 [0,2,0,0,0,0|0,0,0]=2 281 B8R1.1 CC1=NC(C#N)=CO1 AT18597 [0,2,0,0,0,0|1,0,0]=3 282 B8R1.1 CC1=NC(CCl)=CN1 AT15569 [0,2,0,0,0,0|2,0,0]=4 283 B8R1.1 CC1=NC(CN)=CN1 AT15472 [0,2,0,0,0,0|2,0,0]=4 284 B8R1.1 CC1=NC(CN)=CO1 C71257 [0,2,0,0,0,0|1,0,0]=3 285 B8R1.1 CC1=NC(CN)=CO1 D83900 [0,2,0,0,0,0|1,0,0]=3 286 B8R1.1 CC1=NC(CN)=CS1 D86402 [0,2,0,0,0,0|1,1,0]=4 287 B8R1.1 CC1=NC=C(CCl)O1 C77476 [0,2,0,0,0,0|1,0,0]=3 288 B8R1.1 CC1=NC=C(CCl)S1 AT15077 [0,2,0,0,0,0|1,1,0]=4 289 B8R1.1 CC1=NC=C(CO)N1 W10507 [0,2,0,0,0,0|2,0,0]=4 290 B8R1.1 CC1=NC=C(CO)O1 F12980 [0,2,0,0,0,0|1,0,0]=3 291 B8R1.1 CC1=NN=C(CBr)O1 AT18780 [0,2,0,0,0,0|2,0,0]=4 292 B8R1.1 CC1=NNC(C=O)=C1 79805 [0,2,0,0,0,0|2,0,0]=4 293 B8R1.1 CC1=NNC(CN)=C1 AC1083 [0,2,0,0,0,0|2,0,0]=4 294 B8R1.1 CC1=NOC(CN)=C1 A10590 [0,2,0,0,0,0|1,0,0]=3 295 B8R1.1 CC1=NSC(C=O)=C1 C16590 [0,2,0,0,0,0|2,0,0]=4 296 B8R1.1 CC1=NSC(CN)=C1 AT21220 [0,2,0,0,0,0|1,1,0]=4 297 B8R1.1 CCC1=CC=C(S)S1 AT16555 [0,2,0,0,0,0|0,1,0]=3 298 B8R1.1 CCC1=CN=C(Br)S1 56511 [0,2,0,0,0,0|1,1,0]=4 299 B8R1.1 CCC1=CN=C(S)S1 E72343 [0,2,0,0,0,0|1,1,0]=4 300 B8R1.1 CCC1=CSC(Br)=N1 32166 [0,2,0,0,0,0|2,0,0]=4 301 B8R1.1 CCC1=NC(Br)=CN1 AT15316 [0,2,0,0,0,0|2,0,0]=4 302 B8R1.1 CCC1=NC(Br)=NO1 AT25810 [0,2,0,0,0,0|2,0,0]=4 303 B8R1.1 CCC1=NN(C)C=C1 C91459 [0,2,0,0,0,0|2,0,0]=4 304 B8R1.1 CCC1=NN=C(Br)O1 AT16432 [0,2,0,0,0,0|2,0,0]=4 305 B8R1.1 CCC1=NN=C(Cl)O1 AT18833 [0,2,0,0,0,0|2,0,0]=4 306 B8R1.1 CCC1=NN=C(N)O1 VT1414 [0,2,0,0,0,0|2,0,0]=4 307 B8R1.1 CCC1=NN=C(O)O1 AT18768 [0,2,0,0,0,0|2,0,0]=4 308 B8R1.1 CCN1C=C(I)C=N1 77861 [0,2,0,0,0,0|2,0,0]=4 309 B8R1.1 CCN1C=CC(Br)=N1 AT15804 [0,2,0,0,0,0|2,0,0]=4 310 B8R1.1 CCN1C=CC(Cl)=N1 E72194 [0,2,0,0,0,0|2,0,0]=4 311 B8R1.1 CCN1C=CC(O)=N1 AT14005 [0,2,0,0,0,0|2,0,0]=4 312 B8R1.1 CN1C=C(CBr)C=N1 P19158 [0,2,0,0,0,0|2,0,0]=4 313 B8R1.1 CN1C=CC(CBr)=N1 AT15924 [0,2,0,0,0,0|2,0,0]=4 314 B8R1.1 CN1C=CC(CCl)=N1 AT15950 [0,2,0,0,0,0|2,0,0]=4 315 B8R1.1 CN1C=CC(CN)=C1 AT16243 [0,2,0,0,0,0|2,0,0]=4 316 B8R1.1 CN1C=NC(CBr)=C1 O11081 [0,2,0,0,0,0|2,0,0]=4 317 B8R1.1 CNC1=NC=C(Br)S1 AT14732 [0,2,0,0,0,0|1,1,0]=4 318 B8R1.1 CNC1=NN(C)C=C1 AT14076 [0,2,0,0,0,0|2,0,0]=4 319 B8R1.1 CNC1=NNC(Br)=C1 57327 [0,2,0,0,0,0|2,0,0]=4 320 B8R1.1 CNC1=NNC(C)=C1 57298 [0,2,0,0,0,0|2,0,0]=4 321 B8R1.1 CNC1=NOC(C)=C1 AT19802 [0,2,0,0,0,0|1,0,0]=3 322 B8R1.1 COC1=CC(N)=NN1 76300 [0,2,0,0,0,0|2,0,0]=4 323 B8R1.1 COC1=CC=C(Br)S1 N10622 [0,2,0,0,0,0|0,1,0]=3 324 B8R1.1 COC1=CN(C)N=C1 C91427 [0,2,0,0,0,0|2,0,0]=4 325 B8R1.1 COC1=CSC(Br)=N1 AT14677 [0,2,0,0,0,0|2,0,0]=4 326 B8R1.1 COC1=NN(C)C=C1 AT24917 [0,2,0,0,0,0|2,0,0]=4 327 B8R1.1 COC1=NNC(Br)=C1 P13052 [0,2,0,0,0,0|2,0,0]=4 328 B8R1.1 COC1=NNC(C)=C1 E71889 [0,2,0,0,0,0|2,0,0]=4 329 B8R1.1 ClC1=CC(CBr)=CS1 AT16579 [0,2,0,0,0,0|1,1,0]=4 330 B8R1.1 ClC1=CC=C(CBr)S1 AT16577 [0,2,0,0,0,0|0,1,0]=3 331 B8R1.1 ClC1=NC(CBr)=CS1 AT15272 [0,2,0,0,0,0|2,0,0]=4 332 B8R1.1 ClC1=NC=C(CI)S1 AC9205 [0,2,0,0,0,0|1,1,0]=4 333 B8R1.1 ClCC1=CC(Br)=CS1 F30091 [0,2,0,0,0,0|0,1,0]=3 334 B8R1.1 ClCC1=CC(Br)=NO1 69282 [0,2,0,0,0,0|1,0,0]=3 335 B8R1.1 ClCC1=CC=C(Br)S1 AT16373 [0,2,0,0,0,0|0,1,0]=3 336 B8R1.1 ClCC1=CSC(Br)=C1 AT16374 [0,2,0,0,0,0|1,1,0]=4 337 B8R1.1 ClCC1=NC(Cl)=CS1 AT15212 [0,2,0,0,0,0|1,1,0]=4 338 B8R1.1 ClCC1=NC=C(Br)S1 AT14714 [0,2,0,0,0,0|1,1,0]=4 339 B8R1.1 ClCC1=NC=C(Cl)S1 AT15029 [0,2,0,0,0,0|1,1,0]=4 340 B8R1.1 N#CC1=CC=C(Cl)O1 AT17409 [0,2,0,0,0,0|0,0,1]=3 341 B8R1.1 N#CC1=CNC(N)=C1 W10178 [0,2,0,0,0,0|2,0,0]=4 342 B8R1.1 N#CC1=COC(Br)=C1 AT17097 [0,2,0,0,0,0|1,0,0]=3 343 B8R1.1 N#CC1=CSC(I)=C1 AT17048 [0,2,0,0,0,0|1,1,0]=4 344 B8R1.1 NC1=NC(CCl)=CS1 37206 [0,2,0,0,0,0|2,0,0]=4 345 B8R1.1 NC1=NN=C(CCl)O1 D73977 [0,2,0,0,0,0|2,0,0]=4 346 B8R1.1 NCC1=CC(Br)=CN1 AT16225 [0,2,0,0,0,0|1,0,0]=3 347 B8R1.1 NCC1=CC(Br)=NO1 25297 [0,2,0,0,0,0|1,0,0]=3 348 B8R1.1 NCC1=CC(Br)=NO1 69284 [0,2,0,0,0,0|1,0,0]=3 349 B8R1.1 NCC1=CC(Cl)=CO1 50492 [0,2,0,0,0,0|0,0,0]=2 350 B8R1.1 NCC1=CC=C(Br)O1 79914 [0,2,0,0,0,0|0,0,0]=2 351 B8R1.1 NCC1=CC=C(Br)O1 94512 [0,2,0,0,0,0|0,0,0]=2 352 B8R1.1 NCC1=CC=C(Cl)S1 P19111 [0,2,0,0,0,0|0,1,0]=3 353 B8R1.1 NCC1=CSC(Br)=C1 AT16376 [0,2,0,0,0,0|1,1,0]=4 354 B8R1.1 NCC1=CSC(Br)=N1 AT14626 [0,2,0,0,0,0|2,0,0]=4 355 B8R1.1 NCC1=CSC(Cl)=N1 AT14764 [0,2,0,0,0,0|2,0,0]=4 356 B8R1.1 NCC1=NC(Cl)=CS1 AT15205 [0,2,0,0,0,0|1,1,0]=4 357 B8R1.1 NCC1=NC=C(Br)S1 P12853 [0,2,0,0,0,0|1,1,0]=4 358 B8R1.1 NCC1=NC=C(Cl)S1 P11510 [0,2,0,0,0,0|1,1,0]=4 359 B8R1.1 NCC1=NNC(=S)O1 AT18831 [0,2,0,0,0,0|2,0,0]=4 360 B8R1.1 O=C1C=C[C@H](CO)O1 A51108 [0,2,0,0,0,0|0,0,1]=3 361 B8R1.1 O=CC1=CC(Cl)=CO1 50491 [0,2,0,0,0,0|0,0,1]=3 362 B8R1.1 O=CC1=CC(Cl)=CS1 P11080 [0,2,0,0,0,0|0,1,1]=4 363 B8R1.1 O=CC1=COC(Br)=C1 AT17110 [0,2,0,0,0,0|1,0,0]=3 364 B8R1.1 OCC1=CC(Cl)=CS1 37631 [0,2,0,0,0,0|0,1,0]=3 365 B8R1.1 OCC1=COC(Cl)=N1 P10563 [0,2,0,0,0,0|2,0,0]=4 366 B8R1.1 OCC1=CSC(Br)=C1 AT16369 [0,2,0,0,0,0|1,1,0]=4 367 B8R1.1 OCC1=CSC(F)=N1 AT14869 [0,2,0,0,0,0|2,0,0]=4 368 B8R1.1 OCC1=NC=C(Br)N1 P17528 [0,2,0,0,0,0|2,0,0]=4 369 B8R1.1 OCC1=NNC(O)=C1 C90528 [0,2,0,0,0,0|2,0,0]=4 370 B8R1.7 C=C(C)C1=NC=CS1 T71747 [0,2,0,0,0,0|1,1,0]=4 371 B8R1.7 CC(=O)C1=CN=CO1 F19037 [0,2,0,0,0,0|1,0,0]=3 372 B8R1.7 CC(=O)C1=COC=N1 AT18593 [0,2,0,0,0,0|2,0,0]=4 373 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [0,2,0,0,0,0|0,0,0]=2 374 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [0,2,0,0,0,0|0,0,0]=2 375 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [0,2,0,0,0,0|0,0,0]=2 376 B8R1.7 C[C@H](N)C1=CN=CN1 D71963 [0,2,0,0,0,0|2,0,0]=4 377 B8R1.7 C[C@H](N)C1=CN=CS1 AT14771 [0,2,0,0,0,0|1,1,0]=4 378 B8R1.7 C[C@H](N)C1=CN=CS1 AT14772 [0,2,0,0,0,0|1,1,0]=4 379 B8R1.7 C[C@H](N)C1=COC=C1 AT17538 [0,2,0,0,0,0|2,0,0]=4 380 B8R1.7 C[C@H](N)C1=COC=C1 N16718 [0,2,0,0,0,0|2,0,0]=4 381 B8R1.7 C[C@H](N)C1=CSC=C1 27875 [0,2,0,0,0,0|2,0,0]=4 382 B8R1.7 C[C@H](N)C1=CSC=N1 AT12534 [0,2,0,0,0,0|2,0,0]=4 383 B8R1.7 C[C@H](N)C1=CSC=N1 N14692 [0,2,0,0,0,0|2,0,0]=4 384 B8R1.7 C[C@H](N)C1=CSC=N1 N14693 [0,2,0,0,0,0|2,0,0]=4 385 B8R1.7 C[C@H](N)C1=NC=CN1 AT15627 [0,2,0,0,0,0|2,0,0]=4 386 B8R1.7 C[C@H](N)C1=NC=CN1 AT15630 [0,2,0,0,0,0|2,0,0]=4 387 B8R1.7 C[C@H](N)C1=NC=CN1 W10071 [0,2,0,0,0,0|2,0,0]=4 388 B8R1.7 C[C@H](N)C1=NC=CS1 AT14699 [0,2,0,0,0,0|1,1,0]=4 389 B8R1.7 C[C@H](N)C1=NNC=C1 32104 [0,2,0,0,0,0|2,0,0]=4 390 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [0,2,0,0,0,0|0,1,0]=3 391 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [0,2,0,0,0,0|0,1,0]=3 392 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [0,2,0,0,0,0|0,1,0]=3 393 B8R1.7 C[C@H](O)C1=CN=CS1 AT14775 [0,2,0,0,0,0|1,1,0]=4 394 B8R1.7 C[C@H](O)C1=CN=CS1 AT14778 [0,2,0,0,0,0|1,1,0]=4 395 B8R1.7 C[C@H](O)C1=CN=CS1 AT14782 [0,2,0,0,0,0|1,1,0]=4 396 B8R1.7 C[C@H](O)C1=COC=C1 AT17475 [0,2,0,0,0,0|2,0,0]=4 397 B8R1.7 C[C@H](O)C1=COC=C1 AT17477 [0,2,0,0,0,0|2,0,0]=4 398 B8R1.7 C[C@H](O)C1=COC=N1 F13182 [0,2,0,0,0,0|2,0,0]=4 399 B8R1.7 C[C@H](O)C1=CSC=N1 AT14859 [0,2,0,0,0,0|2,0,0]=4 400 B8R1.7 C[C@H](O)C1=NC=CN1 AT15608 [0,2,0,0,0,0|2,0,0]=4 401 B8R1.7 C[C@H](O)C1=NC=CS1 AT14682 [0,2,0,0,0,0|1,1,0]=4 402 B8R1.7 C[C@H](O)C1=NC=CS1 AT14685 [0,2,0,0,0,0|1,1,0]=4 403 B8R1.7 C[C@H](O)C1=NNC=C1 AT15830 [0,2,0,0,0,0|2,0,0]=4 404 B8R1.7 C[C@H](O)C1=NNC=C1 AT15831 [0,2,0,0,0,0|2,0,0]=4 405 B8R1.7 C[C@H](O)C1=NNC=C1 AT15832 [0,2,0,0,0,0|2,0,0]=4 406 B8R1.7 FC(F)N1C=CC=N1 AT12045 [0,2,0,0,0,0|2,0,0]=4 407 B8R1.7 N=C(N)C1=CC=CN1 F18689 [0,2,0,0,0,0|1,0,1]=4 408 B8R1.7 NC(=S)C1=CC=CO1 F11945 [0,2,0,0,0,0|0,0,1]=3 409 B8R1.7 O=C([O-])C1=NC=CO1 AT18513 [0,2,0,0,0,0|1,0,1]=4 410 B8R1.7 O=[S@](O)C1=CC=CS1 AT16558 [0,2,0,0,0,0|1,1,0]=4 411 B8R1.8 BrCCC1=CC=CS1 F20027 [0,2,0,0,0,0|0,1,0]=3 412 B8R1.8 CCNC1=NN=CO1 AT18792 [0,2,0,0,0,0|2,0,0]=4 413 B8R1.8 CNCC1=CC=NN1 27042 [0,2,0,0,0,0|2,0,0]=4 414 B8R1.8 CNCC1=CC=NN1 AT10969 [0,2,0,0,0,0|2,0,0]=4 415 B8R1.8 CNCC1=CN=CS1 71400 [0,2,0,0,0,0|1,1,0]=4 416 B8R1.8 CNCC1=CSC=C1 AT16803 [0,2,0,0,0,0|2,0,0]=4 417 B8R1.8 CNCC1=CSC=N1 AT10976 [0,2,0,0,0,0|2,0,0]=4 418 B8R1.8 CNCC1=CSC=N1 AT14743 [0,2,0,0,0,0|2,0,0]=4 419 B8R1.8 CNCC1=NC=CN1 W10149 [0,2,0,0,0,0|2,0,0]=4 420 B8R1.8 CNCC1=NC=CS1 AT10974 [0,2,0,0,0,0|1,1,0]=4 421 B8R1.8 CNCC1=NNC=C1 F31265 [0,2,0,0,0,0|2,0,0]=4 422 B8R1.8 CNCC1=NOC=C1 AT10962 [0,2,0,0,0,0|2,0,0]=4 423 B8R1.8 COCC1=NC=CN1 P10070 [0,2,0,0,0,0|2,0,0]=4 424 B8R1.8 ClCCC1=CNC=N1 D82567 [0,2,0,0,0,0|2,0,0]=4 425 B8R1.8 N#CCC1=CC=NO1 AC6956 [0,2,0,0,0,0|1,0,0]=3 426 B8R1.8 N#CCC1=CN=CS1 97777 [0,2,0,0,0,0|1,1,0]=4 427 B8R1.8 N#CCC1=NC=CN1 F17294 [0,2,0,0,0,0|2,0,0]=4 428 B8R1.8 N#CCN1C=CC=C1 F50604 [0,2,0,0,0,0|2,0,0]=4 429 B8R1.8 NCCC1=CN=CN1 S10979 [0,2,0,0,0,0|2,0,0]=4 430 B8R1.8 NCCC1=COC=N1 AT18667 [0,2,0,0,0,0|2,0,0]=4 431 B8R1.8 NCCC1=NC=CS1 F51904 [0,2,0,0,0,0|1,1,0]=4 432 B8R1.8 NCCC1=NNC=C1 AC2815 [0,2,0,0,0,0|2,0,0]=4 433 B8R1.8 NCCN1C=CC=N1 AT10968 [0,2,0,0,0,0|2,0,0]=4 434 B8R1.8 NNCC1=CC=CS1 P10519 [0,2,0,0,0,0|0,1,0]=3 435 B8R1.8 NNCC1=CSC=C1 P10771 [0,2,0,0,0,0|2,0,0]=4 436 B8R1.8 O=CCC1=CC=CS1 O10539 [0,2,0,0,0,0|0,1,0]=3 437 B8R1.8 O=CCC1=NC=CS1 D88143 [0,2,0,0,0,0|1,1,0]=4 438 B8R1.8 O=CCC1=NN=CO1 W10330 [0,2,0,0,0,0|2,0,0]=4 439 B8R1.11 BrCC1=CSC=C1Br 88259 [0,2,0,0,0,0|2,0,0]=4 440 B8R1.11 C=CN1C=CN=C1C T72225 [0,2,0,0,0,0|2,0,0]=4 441 B8R1.11 CC1=C(C#N)C=CO1 AT17522 [0,2,0,0,0,0|0,0,0]=2 442 B8R1.11 CC1=C(C#N)C=NO1 AC5754 [0,2,0,0,0,0|1,0,0]=3 443 B8R1.11 CC1=C(C#N)N=CO1 58494 [0,2,0,0,0,0|1,0,0]=3 444 B8R1.11 CC1=C(C#N)SC=N1 AT15031 [0,2,0,0,0,0|2,0,0]=4 445 B8R1.11 CC1=C(C=O)C=CS1 AT16762 [0,2,0,0,0,0|0,1,0]=3 446 B8R1.11 CC1=C(C=O)N=CO1 AT18594 [0,2,0,0,0,0|1,0,0]=3 447 B8R1.11 CC1=C(CBr)SC=N1 AT24615 [0,2,0,0,0,0|1,1,0]=4 448 B8R1.11 CC1=C(CCl)C=NO1 AC2811 [0,2,0,0,0,0|1,0,0]=3 449 B8R1.11 CC1=C(CCl)N=CS1 AT15300 [0,2,0,0,0,0|1,1,0]=4 450 B8R1.11 CC1=C(CCl)OC=N1 C11081 [0,2,0,0,0,0|1,0,0]=3 451 B8R1.11 CC1=C(CCl)SC=N1 74336 [0,2,0,0,0,0|1,1,0]=4 452 B8R1.11 CC1=C(CCl)SC=N1 AT15073 [0,2,0,0,0,0|1,1,0]=4 453 B8R1.11 CC1=C(CN)C=CO1 AT17524 [0,2,0,0,0,0|0,0,0]=2 454 B8R1.11 CC1=C(CN)C=CO1 AT17541 [0,2,0,0,0,0|0,0,0]=2 455 B8R1.11 CC1=C(CN)C=CS1 AT16801 [0,2,0,0,0,0|0,1,0]=3 456 B8R1.11 CC1=C(CN)C=NO1 72465 [0,2,0,0,0,0|1,0,0]=3 457 B8R1.11 CC1=C(CN)C=NO1 W10068 [0,2,0,0,0,0|1,0,0]=3 458 B8R1.11 CC1=C(CN)N=CN1 AT15470 [0,2,0,0,0,0|2,0,0]=4 459 B8R1.11 CC1=C(CN)N=CO1 AT18605 [0,2,0,0,0,0|1,0,0]=3 460 B8R1.11 CC1=C(CN)NC=N1 F19544 [0,2,0,0,0,0|2,0,0]=4 461 B8R1.11 CC1=C(CN)OC=C1 AT17196 [0,2,0,0,0,0|0,0,0]=2 462 B8R1.11 CC1=C(CN)OC=N1 AT18687 [0,2,0,0,0,0|1,0,0]=3 463 B8R1.11 CC1=C(CN)SC=C1 71361 [0,2,0,0,0,0|0,1,0]=3 464 B8R1.11 CC1=C(CO)N=CS1 AT21447 [0,2,0,0,0,0|1,1,0]=4 465 B8R1.11 CC1=C(CO)ON=C1 A51017 [0,2,0,0,0,0|1,0,0]=3 466 B8R1.11 CC1=C(CO)SC=N1 74180 [0,2,0,0,0,0|1,1,0]=4 467 B8R1.11 CC1=CNC=C1C#N AT16242 [0,2,0,0,0,0|2,0,0]=4 468 B8R1.11 CC1=CNN=C1CCl AT15943 [0,2,0,0,0,0|2,0,0]=4 469 B8R1.11 CC1=CON=C1CO 95084 [0,2,0,0,0,0|2,0,0]=4 470 B8R1.11 CC1=CSC=C1CN AT16790 [0,2,0,0,0,0|2,0,0]=4 471 B8R1.11 CC1=NOC=C1CCl AT19032 [0,2,0,0,0,0|2,0,0]=4 472 B8R1.11 CC1=NSC=C1CO AT21132 [0,2,0,0,0,0|2,0,0]=4 473 B8R1.11 CCC1=C(N)C=NO1 AT19807 [0,2,0,0,0,0|1,0,0]=3 474 B8R1.11 CCC1=C(N)ON=C1 AT19811 [0,2,0,0,0,0|2,0,0]=4 475 B8R1.11 CCC1=C(N)SC=N1 W15853 [0,2,0,0,0,0|2,0,0]=4 476 B8R1.11 CCC1=NNC=C1I I11378 [0,2,0,0,0,0|2,0,0]=4 477 B8R1.11 CCC1=NNC=C1N AT14204 [0,2,0,0,0,0|2,0,0]=4 478 B8R1.11 CCN1C=CN=C1C F16031 [0,2,0,0,0,0|2,0,0]=4 479 B8R1.11 CCN1N=CC=C1Br F17300 [0,2,0,0,0,0|2,0,0]=4 480 B8R1.11 CCN1N=CC=C1Cl AT15849 [0,2,0,0,0,0|2,0,0]=4 481 B8R1.11 CCN1N=CC=C1O AT14056 [0,2,0,0,0,0|2,0,0]=4 482 B8R1.11 CN1C=CN=C1CBr AT15680 [0,2,0,0,0,0|2,0,0]=4 483 B8R1.11 CN1C=CN=C1CN AT15625 [0,2,0,0,0,0|2,0,0]=4 484 B8R1.11 CN1C=NC=C1CBr O11296 [0,2,0,0,0,0|2,0,0]=4 485 B8R1.11 CN1C=NC=C1CCl 94781 [0,2,0,0,0,0|2,0,0]=4 486 B8R1.11 CN1N=CC=C1CBr AT15925 [0,2,0,0,0,0|2,0,0]=4 487 B8R1.11 CNC1=CC=NN1C AT14117 [0,2,0,0,0,0|2,0,0]=4 488 B8R1.11 CNC1=CN=CN1C 98139 [0,2,0,0,0,0|2,0,0]=4 489 B8R1.11 CNC1=CSN=C1C AT21113 [0,2,0,0,0,0|2,0,0]=4 490 B8R1.11 CNC1=NC=CN1C AT15602 [0,2,0,0,0,0|2,0,0]=4 491 B8R1.11 CNC1=NNC=C1C 57305 [0,2,0,0,0,0|2,0,0]=4 492 B8R1.11 COC1=C(Br)C=CS1 AT16340 [0,2,0,0,0,0|0,1,0]=3 493 B8R1.11 COC1=C(Br)SC=N1 AT14705 [0,2,0,0,0,0|2,0,0]=4 494 B8R1.11 COC1=C(C)C=CS1 91670 [0,2,0,0,0,0|0,1,0]=3 495 B8R1.11 C[S@H]1C=CC=C1CN AT17306 [0,2,0,0,0,0|0,1,0]=3 496 B8R1.11 ClC1=C(CBr)SC=N1 AT15037 [0,2,0,0,0,0|1,1,0]=4 497 B8R1.11 ClCC1=C(Br)C=CS1 AT16718 [0,2,0,0,0,0|0,1,0]=3 498 B8R1.11 ClCC1=C(Br)SC=N1 AT14723 [0,2,0,0,0,0|2,0,0]=4 499 B8R1.11 ClCC1=C(Cl)C=CS1 AT16716 [0,2,0,0,0,0|0,1,0]=3 500 B8R1.11 ClCC1=C(Cl)SC=C1 AT17068 [0,2,0,0,0,0|1,1,0]=4 501 B8R1.11 N#CC1=C(Br)C=CO1 AT17437 [0,2,0,0,0,0|0,0,1]=3 502 B8R1.11 N#CC1=C(Cl)SC=C1 AT16561 [0,2,0,0,0,0|1,1,0]=4 503 B8R1.11 NC1=C(C=O)SC=C1 O10948 [0,2,0,0,0,0|0,1,1]=4 504 B8R1.11 NCC1=C(Br)C=CS1 P10346 [0,2,0,0,0,0|0,1,0]=3 505 B8R1.11 NCC1=CSC=C1Br AT16740 [0,2,0,0,0,0|2,0,0]=4 506 B8R1.11 NCC1=CSC=C1Cl AT16880 [0,2,0,0,0,0|2,0,0]=4 507 B8R1.11 O=CC1=C(I)C=CS1 AT16727 [0,2,0,0,0,0|0,1,1]=4 508 B8R1.11 OCC1=C(Br)C=NN1 58515 [0,2,0,0,0,0|2,0,0]=4 509 B8R1.11 OCC1=C(Cl)N=CS1 AT14780 [0,2,0,0,0,0|1,1,0]=4 510 B8R1.11 OCC1=C(Cl)SC=C1 AT16564 [0,2,0,0,0,0|1,1,0]=4 511 B8R1.11 OCC1=CSC=C1Br 88258 [0,2,0,0,0,0|2,0,0]=4 512 B8R1.11 OCC1=CSC=C1Cl AT16882 [0,2,0,0,0,0|2,0,0]=4 513 B8R1.18 CC1=C(C)OC(=O)N1 AT18454 [0,2,0,0,0,0|1,0,0]=3 514 B8R1.18 CC1=C(C)OC(Br)=N1 AT18457 [0,2,0,0,0,0|1,0,0]=3 515 B8R1.18 CC1=C(C)OC(S)=N1 AT18536 [0,2,0,0,0,0|1,0,0]=3 516 B8R1.18 CC1=C(C)SC(Br)=C1 95200 [0,2,0,0,0,0|0,1,0]=3 517 B8R1.18 CC1=C(Cl)N=C(Cl)S1 O10590 [0,2,0,0,0,0|1,1,0]=4 518 B8R1.18 CC1=CC(=O)NN1C AT14000 [0,2,0,0,0,0|2,0,0]=4 519 B8R1.18 CC1=CC(C)=C(S)S1 AT16553 [0,2,0,0,0,0|0,1,0]=3 520 B8R1.18 CC1=CC(I)=C(C)S1 CS2241 [0,2,0,0,0,0|0,1,0]=3 521 B8R1.18 CC1=CN(C)C(Br)=N1 71593 [0,2,0,0,0,0|2,0,0]=4 522 B8R1.18 CC1=NN(C)C(I)=C1 71879 [0,2,0,0,0,0|2,0,0]=4 523 B8R1.18 CC1=NN(C)C=C1N CL3439 [0,2,0,0,0,0|2,0,0]=4 524 B8R1.18 CN1C=C(Br)C(O)=N1 AT14036 [0,2,0,0,0,0|2,0,0]=4 525 B8R1.18 CN1C=C(Cl)C(N)=N1 AT14074 [0,2,0,0,0,0|2,0,0]=4 526 B8R1.18 CN1C=C(I)C(O)=N1 AT14039 [0,2,0,0,0,0|2,0,0]=4 527 B8R1.18 CN1C=C(N)C(Br)=N1 AT13631 [0,2,0,0,0,0|2,0,0]=4 528 B8R1.18 CN1N=C(Cl)C=C1N P14551 [0,2,0,0,0,0|2,0,0]=4 529 B8R1.18 CN1N=C(I)C=C1F P15024 [0,2,0,0,0,0|2,0,0]=4 530 B8R1.18 CN1N=C(N)C=C1N F17296 [0,2,0,0,0,0|2,0,0]=4 531 B8R1.18 C[C@@H]1OC(=O)NC1=O D75118 [0,2,0,0,0,0|1,0,1]=4 532 B8R1.50 CC1=C(C)C(O)=NO1 AT21054 [0,2,0,0,0,0|1,0,0]=3 533 B8R1.50 CC1=C(Cl)C(N)=NN1 AT25139 [0,2,0,0,0,0|2,0,0]=4 534 B8R1.50 CC1=C(Cl)C(N)=NO1 AT19795 [0,2,0,0,0,0|1,0,0]=3 535 B8R1.50 CC1=C(N)C=NN1C C10730 [0,2,0,0,0,0|2,0,0]=4 536 B8R1.50 CC1=CC=C(C)N1N AT25958 [0,2,0,0,0,0|1,0,0]=3 537 B8R1.50 CC1=NOC(C)=C1Cl D76793 [0,2,0,0,0,0|1,0,0]=3 538 B8R1.50 CC1=NOC(N)=C1I AT19824 [0,2,0,0,0,0|2,0,0]=4 539 B8R1.50 CC1=NSC(N)=C1Br AT21089 [0,2,0,0,0,0|2,0,0]=4 540 B8R1.50 CC1=NSC(N)=C1Cl AT21116 [0,2,0,0,0,0|2,0,0]=4 541 B8R1.50 CC1=NSC(N)=C1I AT21119 [0,2,0,0,0,0|2,0,0]=4 542 B8R1.50 CN1N=CC(I)=C1N AT14123 [0,2,0,0,0,0|2,0,0]=4 543 B8R1.50 CN1N=CC(N)=C1Br AT13634 [0,2,0,0,0,0|2,0,0]=4 544 B8R1.50 CN1N=CC(N)=C1Cl AT25123 [0,2,0,0,0,0|2,0,0]=4 545 B8R1.50 CN1N=CC(N)=C1N A10126 [0,2,0,0,0,0|2,0,0]=4 546 B8R1.50 O=C1OCC(O)=C1Br D75457 [0,2,0,0,0,0|1,0,1]=4 547 B6R1.1 C1=COCCO1 T71041 [0,0,1,1,0,0|1,0,1]=4