0 B6R0.6 CC\C=C/CCI 98107 [1,0,0,0,0,0|1,0,2]=4 1 B8R0.1 CCOC(=O)CCC=O AB9300 [0,1,0,0,0,0|1,0,2]=4 2 B8R1.2 BrCC1=NC=CN=C1 31757 [0,0,0,1,0,0|3,0,0]=4 3 B8R1.2 BrCC1=NC=NC=C1 Y10744 [0,0,0,1,0,0|3,0,0]=4 4 B8R1.2 BrCC1=NN=CC=C1 27114 [0,0,0,1,0,0|3,0,0]=4 5 B8R1.2 CCC1=NC=NC=C1 F17281 [0,0,0,1,0,0|2,0,0]=3 6 B8R1.2 CNC1=NC=NC=C1 W10133 [0,0,0,1,0,0|3,0,0]=4 7 B8R1.2 COC1=NC=NC=C1 T72699 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.2 ClCC1=NC=CN=C1 37060 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.2 ClCC1=NN=CC=C1 37063 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.2 N#CC1=NC=CC=C1 D77869 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.2 NCC1=CC=CC=C1 RB3068 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.2 NCC1=CC=CN=N1 36976 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.2 NCC1=CC=CN=N1 AT13034 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.2 NCC1=CC=CN=N1 P15536 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.2 NCC1=CC=NC=C1 35876 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.2 NCC1=NC=CN=C1 67569 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.2 O=CC1=NC=NC=C1 26359 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.2 SCC1=CC=NC=C1 F18336 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.2 SCC1=CN=CC=C1 F18343 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.2 SCC1=NC=CC=C1 Y10072 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.5 CC1=C(F)C=CN=C1 F19730 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.5 CC1=C(I)C=CC=N1 F19761 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.5 CC1=C(I)C=NC=C1 C74973 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.5 NC1=[N+]([O-])C=CC=C1 T70263 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.8 CCCC1=NNC=C1 C16284 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.8 CCOC1=NNC=C1 AT14799 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.8 NCCC1=CC=CN1 31556 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.8 NCCC1=CC=CN1 F10331 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.8 OCCC1=CC=CN1 AB10351 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.8 OCCC1=CC=CO1 W10532 [0,0,0,1,0,0|1,0,2]=4 32 B8R1.11 C=CC1=NC=CN1C D84862 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.11 CC1=C(C=O)N=CS1 F12255 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.11 CC1=C(C=O)OC=N1 AT18679 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.11 CC1=C(CO)C=CO1 30727 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.11 CC1=CON=C1C=O W10337 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.11 CC1=CSC=C1C=O P16095 [0,0,0,1,0,0|1,0,1]=3 38 B8R1.11 CC1=CSC=C1CO 57803 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.11 CCC1=C(C)N=CS1 60935 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.11 CCC1=CNN=C1C AC8755 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.11 CCC1=NNC=C1Br 98406 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.11 CCN1C=CN=C1Br AT15593 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.11 CN1C=CC=C1CN 88916 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.11 CN1C=CC=C1CO D82110 [0,0,0,1,0,0|1,0,2]=4 45 B8R1.11 CN1N=CN=C1C=O 97733 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.11 CN1N=NC=C1C=O 92411 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.11 ClC1=C(CBr)C=CS1 24714 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.11 NC1=C(CO)SC=C1 70866 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.11 NCC1=C(Cl)C=CS1 38405 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.11 O=C1CCC=C1CO E70389 [0,0,0,1,0,0|1,0,2]=4 51 B8R1.11 O=CC1=C(Br)C=CN1 P11326 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.11 O=CC1=C(Br)SC=C1 57105 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.11 O=CC1=C(Cl)SC=C1 A11316 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.11 O=CC1=C(I)SC=C1 C73596 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.49 C1=CCCC=CCC1 A11943 [0,0,0,1,0,0|1,0,2]=4 56 B8R1.49 C1=CCCC=CCC1 C10709 [0,0,0,1,0,0|1,0,2]=4 57 B8R1.49 C1=CCCC=CCC1 D94664 [0,0,0,1,0,0|1,0,2]=4 58 B8R1.49 C1=CCCC=CCC1 F16608 [0,0,0,1,0,0|1,0,2]=4 59 B8R1.49 C1=CCCC=CCC1 F16639 [0,0,0,1,0,0|1,0,2]=4 60 B8R1.49 C1=CCCC=CCC1 H10532 [0,0,0,1,0,0|1,0,2]=4 61 B8R1.49 C1=CCCC=CCC1 O11699 [0,0,0,1,0,0|1,0,2]=4 62 B8R1.49 C1=CCCC=CCC1 S12179 [0,0,0,1,0,0|1,0,2]=4 63 B8R1.49 C1=CCCC=CCC1 T72889 [0,0,0,1,0,0|1,0,2]=4 64 B7R0.3 C=CC(=O)NCCC AB9941 [1,1,0,0,0,0|1,0,1]=4 65 B7R0.4 C\C=C/C=C/C(=O)O D86563 [1,1,0,0,0,0|0,0,0]=2 66 B7R0.7 C=C=CC(=O)OCC T71774 [1,1,0,0,0,0|1,0,1]=4 67 B9R0.48 CCOC(=O)\C=C\C(C)=O 71109 [0,2,0,0,0,0|1,0,0]=3 68 B9R0.2 CCC\C=C/CCC(=O)O E70288 [0,2,0,0,0,0|0,0,2]=4 69 B7R1.1 C=CC1=CC=CS1 C10114 [1,0,0,1,0,0|0,1,1]=4 70 B7R1.1 C=CC1=NNC=C1 P13173 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.1 CCC1=CNN=C1 72604 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.1 ClCC1=CC=CS1 79790 [1,0,0,1,0,0|1,1,0]=4 73 B7R1.1 NCC1=CC=CN1 25931 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.1 NCC1=CNC=C1 F12967 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.1 O=CC1=CC=C[Se]1 T72165 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.1 O=CC1=CC=NS1 62852 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.1 O=CC1=CCC=C1 77835 [1,0,0,1,0,0|0,0,1]=3 78 B7R1.1 O=CC1=CCCC1 26227 [1,0,0,1,0,0|0,0,1]=3 79 B7R1.1 O=CC1=CCCO1 D79895 [1,0,0,1,0,0|1,0,1]=4 80 B7R1.1 O=CC1=CN=CO1 39069 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.1 O=CC1=NOC=C1 P10400 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.3 NC1=CC=CC=C1 T70935 [1,0,0,1,0,0|1,0,1]=4 83 B7R1.3 NC1=CC=CC=C1 T71037 [1,0,0,1,0,0|1,0,1]=4 84 B7R1.3 O=C1C=CCCN1 88830 [1,0,0,1,0,0|1,0,1]=4 85 B7R1.3 O=C1C=CCOC1 O10790 [1,0,0,1,0,0|1,0,1]=4 86 B7R1.4 CC1=C(C)NC=C1 F20873 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.4 CC1=CCOC1=O T72100 [1,0,0,1,0,0|1,0,1]=4 88 B7R1.4 CC1=CSC=C1N P10841 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.4 CN1C=CNC1=O F12570 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.2 C#CC1=CC=CC(=O)N1 N11855 [0,1,0,1,0,0|0,0,2]=4 91 B9R1.2 C=CC1=CC(C)=CC=C1 F16162 [0,1,0,1,0,0|1,0,1]=4 92 B9R1.2 C=CC1=NC(C)=CC=C1 C71408 [0,1,0,1,0,0|1,0,1]=4 93 B9R1.2 CC1=CC(CCl)=NC=C1 25774 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.2 CC1=CC(CN)=NC=C1 72801 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.2 CC1=CC(CN)=NC=C1 78899 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [0,1,0,1,0,0|1,0,1]=4 98 B9R1.2 CCC1=CC(=O)NC=N1 F13915 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.2 CCC1=CC(=O)NN=C1 S11511 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.2 CCC1=CC(Br)=CN=C1 25835 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.2 CCC1=CC(Cl)=NC=N1 F17302 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.2 CCC1=CC=CC(Br)=N1 O10692 [0,1,0,1,0,0|1,0,0]=3 103 B9R1.2 CCC1=CC=NC(Cl)=N1 30656 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.2 CCC1=NC(C)=CN=C1 D84033 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.2 CCC1=NC=CC(Br)=C1 S10560 [0,1,0,1,0,0|1,0,0]=3 106 B9R1.2 CCC1=NC=CC(O)=N1 W12565 [0,1,0,1,0,0|1,0,1]=4 107 B9R1.2 CNC1=CC(N)=CC=C1 36494 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.2 CNC1=NC=CC(Br)=C1 32749 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.2 CNC1=NC=CC(N)=C1 27435 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.2 COC1=CC(=O)NC=C1 25837 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.2 CSC1=CC(F)=CC=C1 A12732 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.2 CSC1=CC(O)=CC=C1 W12966 [0,1,0,1,0,0|1,0,1]=4 113 B9R1.2 CSC1=CC=CC(Cl)=N1 F14554 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.2 CSC1=NC(N)=CC=C1 W18184 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.2 ClC1=CC=CC(CBr)=N1 55241 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.2 ClCC1=CC=CC(Cl)=N1 F52578 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.2 ClCC1=NC=CC(Cl)=C1 AC1913 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.2 FC1=CC(CBr)=NC=C1 AC8874 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.2 FC1=CC=CC(CBr)=N1 25716 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.2 FC1=CC=CC(CCl)=N1 88353 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.2 N#CC1=CC=CC(=O)N1 P11008 [0,1,0,1,0,0|1,0,1]=4 122 B9R1.2 NC1=CC(CO)=NC=C1 AC1095 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.2 NC1=CC=CC(C=O)=C1 CK2096 [0,1,0,1,0,0|0,0,2]=4 124 B9R1.2 NC1=CC=CC(C=O)=N1 D70565 [0,1,0,1,0,0|1,0,1]=4 125 B9R1.2 NC1=CC=CC(CF)=C1 32172 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.2 NCC1=CC=CC(=O)N1 78897 [0,1,0,1,0,0|1,0,0]=3 127 B9R1.2 NCC1=CC=CC(Br)=N1 CS1515 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.2 NCC1=CC=CC(Cl)=N1 C73611 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.2 NCC1=CC=CC(F)=N1 25846 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.2 NCC1=CC=CC(N)=N1 H10329 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.2 NCC1=NC=CC(Br)=C1 26881 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.2 NCC1=NC=CC(Br)=C1 P17869 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.2 NCC1=NC=CC(Cl)=C1 P18502 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.2 NCC1=NC=CC(Cl)=C1 Y12031 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.2 O=C1C=C(CCl)C=CN1 AT18186 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.2 O=C1C=C(CO)C=CN1 37365 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.2 O=CC1=CC=CC(=O)N1 N12900 [0,1,0,1,0,0|1,0,1]=4 138 B9R1.2 O=CC1=C[N+]([O-])=CC=C1 O11007 [0,1,0,1,0,0|1,0,1]=4 139 B9R1.2 O=CC1=NC=CC(O)=C1 W18365 [0,1,0,1,0,0|1,0,1]=4 140 B9R1.2 OCC1=NC=CC(I)=C1 W18502 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.2 OCC1=NC=CC(O)=C1 O10524 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.7 CCO[C@@H]1C=CC(=O)O1 91454 [0,1,0,1,0,0|1,0,1]=4 143 B9R1.8 BrCCC1=CC=NC=C1 C71689 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.8 CCNC1=CC=CN=C1 C15578 [0,1,0,1,0,0|2,0,0]=4 145 B9R1.8 CNCC1=CC=NC=C1 AR1712 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.8 CNCC1=NC=CC=N1 W11490 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.8 ClCCC1=CC=NC=C1 O11064 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.8 NCCC1=NC=CC=N1 P15951 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.8 NCCC1=NC=CN=C1 AR1061 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.8 NCCC1=NC=NC=C1 P18517 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.8 NNCC1=NC=CC=C1 78929 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.8 OCCC1=NC=CC=N1 C14218 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [0,1,0,1,0,0|1,0,1]=4 154 B9R1.12 CCNCC1=CC=CO1 C77903 [0,1,0,1,0,0|0,0,2]=4 155 B9R1.15 BrCC1=C(Br)C=CC=N1 N13045 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.15 C=CC1=CC=CN=C1C P11579 [0,1,0,1,0,0|1,0,1]=4 157 B9R1.15 CC1=C(C=O)C=CN=C1 AB10090 [0,1,0,1,0,0|0,0,1]=3 158 B9R1.15 CC1=C(CBr)C=CC=N1 F16424 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.15 CC1=C(CCl)C=CC=N1 24248 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.15 CC1=C(CCl)C=NC=C1 C72783 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.15 CC1=C(CO)C=NC=C1 38669 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.15 CC1=CC=CN=C1CN C72913 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.15 CC1=NC=CC=C1CN 72802 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.15 CC1=NC=CC=C1CN AB7634 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.15 CC1=NC=CN=C1C=O 30985 [0,1,0,1,0,0|1,0,1]=4 166 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [0,1,0,1,0,0|1,0,0]=3 167 B9R1.15 CCC1=C(Br)C=CN=C1 38064 [0,1,0,1,0,0|1,0,0]=3 168 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [0,1,0,1,0,0|1,0,0]=3 169 B9R1.15 CCC1=C(O)C=CC=N1 71246 [0,1,0,1,0,0|0,0,1]=3 170 B9R1.15 CCC1=CC=CN=C1Br D80252 [0,1,0,1,0,0|1,0,0]=3 171 B9R1.15 CCC1=CC=CN=C1N 55791 [0,1,0,1,0,0|1,0,0]=3 172 B9R1.15 CCC1=CC=NN=C1Cl S11385 [0,1,0,1,0,0|2,0,0]=4 173 B9R1.15 CCC1=CC=NNC1=O S11452 [0,1,0,1,0,0|1,0,0]=3 174 B9R1.15 CCC1=NC=CN=C1N RB3385 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.15 CCC1=NC=CNC1=O S12194 [0,1,0,1,0,0|1,0,0]=3 176 B9R1.15 CNC1=C(C)C=CN=C1 C12398 [0,1,0,1,0,0|2,0,0]=4 177 B9R1.15 CNC1=C(I)C=NC=C1 D83398 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.15 CNC1=C(N)C=CN=C1 F51691 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.15 CNC1=C(N)C=NC=C1 C73540 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.15 CNC1=CC=CN=C1N 94808 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.15 CNC1=NC=CC=C1N 72351 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.15 COC1=C(Br)C=CN=C1 26564 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.15 COC1=C(I)C=CN=C1 D82954 [0,1,0,1,0,0|2,0,0]=4 184 B9R1.15 COC1=C(N)C=CN=C1 35474 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.15 COC1=C(O)C=NC=C1 79066 [0,1,0,1,0,0|1,0,1]=4 186 B9R1.15 COC1=CNC=NC1=O H10327 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.15 COC1=NC=CC=C1C C73664 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.15 CSC1=C(F)N=CC=C1 F50785 [0,1,0,1,0,0|2,0,0]=4 189 B9R1.15 CSC1=C(N)C=CN=C1 W16024 [0,1,0,1,0,0|2,0,0]=4 190 B9R1.15 ClCC1=C(Br)C=CC=N1 W15864 [0,1,0,1,0,0|2,0,0]=4 191 B9R1.15 ClCC1=C(Br)C=NC=C1 32531 [0,1,0,1,0,0|2,0,0]=4 192 B9R1.15 ClCC1=C(Cl)C=CC=N1 86866 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.15 ClCC1=C(Cl)C=CC=N1 C71965 [0,1,0,1,0,0|2,0,0]=4 194 B9R1.15 FC1=C(CBr)C=CC=N1 72213 [0,1,0,1,0,0|2,0,0]=4 195 B9R1.15 FC1=C(CCl)C=CN=C1 72889 [0,1,0,1,0,0|2,0,0]=4 196 B9R1.15 FC1=CC=CN=C1CBr 38126 [0,1,0,1,0,0|2,0,0]=4 197 B9R1.15 FC1=CC=CN=C1CCl AC1446 [0,1,0,1,0,0|2,0,0]=4 198 B9R1.15 N#CC1=CNC=CC1=O 88910 [0,1,0,1,0,0|1,0,1]=4 199 B9R1.15 NC1=C(CO)C=CN=C1 F13531 [0,1,0,1,0,0|2,0,0]=4 200 B9R1.15 NC1=C(CO)C=NC=C1 28348 [0,1,0,1,0,0|2,0,0]=4 201 B9R1.15 NC1=CC=CN=C1C=O 80155 [0,1,0,1,0,0|1,0,1]=4 202 B9R1.15 NC1=CC=CN=C1CO H10562 [0,1,0,1,0,0|2,0,0]=4 203 B9R1.15 NCC1=C(Br)C=CC=N1 N13373 [0,1,0,1,0,0|2,0,0]=4 204 B9R1.15 NCC1=C(Br)C=CC=N1 Y13366 [0,1,0,1,0,0|2,0,0]=4 205 B9R1.15 NCC1=C(Br)C=CN=C1 F30244 [0,1,0,1,0,0|2,0,0]=4 206 B9R1.15 NCC1=C(Br)C=NC=C1 O10077 [0,1,0,1,0,0|2,0,0]=4 207 B9R1.15 NCC1=C(Cl)C=CC=N1 20194 [0,1,0,1,0,0|2,0,0]=4 208 B9R1.15 NCC1=C(Cl)C=CN=C1 73185 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.15 NCC1=C(Cl)C=NC=C1 D79765 [0,1,0,1,0,0|2,0,0]=4 210 B9R1.15 NCC1=C(Cl)C=NC=C1 F50132 [0,1,0,1,0,0|2,0,0]=4 211 B9R1.15 NCC1=C(F)C=CC=N1 37501 [0,1,0,1,0,0|2,0,0]=4 212 B9R1.15 NCC1=C(F)C=CC=N1 71993 [0,1,0,1,0,0|2,0,0]=4 213 B9R1.15 NCC1=C(F)C=CC=N1 P10857 [0,1,0,1,0,0|2,0,0]=4 214 B9R1.15 NCC1=C(F)C=NC=C1 26837 [0,1,0,1,0,0|2,0,0]=4 215 B9R1.15 NCC1=C(F)C=NC=C1 78901 [0,1,0,1,0,0|2,0,0]=4 216 B9R1.15 NCC1=C(I)C=CC=C1 C75019 [0,1,0,1,0,0|1,0,1]=4 217 B9R1.15 NCC1=CC=CN=C1Br D82416 [0,1,0,1,0,0|2,0,0]=4 218 B9R1.15 NCC1=CC=CN=C1Cl 51113 [0,1,0,1,0,0|2,0,0]=4 219 B9R1.15 NCC1=CC=CN=C1N 89358 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.15 NCC1=CC=CN=C1O 55767 [0,1,0,1,0,0|1,0,1]=4 221 B9R1.15 NCC1=NC=CC=C1N AC4283 [0,1,0,1,0,0|2,0,0]=4 222 B9R1.15 O=C1NC=CC=C1CO P16012 [0,1,0,1,0,0|1,0,0]=3 223 B9R1.15 O=CC1=C(Br)C=CN=C1 P16584 [0,1,0,1,0,0|1,0,1]=4 224 B9R1.15 O=CC1=C(Br)CCCC1 AC9040 [0,1,0,1,0,0|0,0,2]=4 225 B9R1.15 O=CC1=C(Cl)C=CC=C1 D77644 [0,1,0,1,0,0|0,0,2]=4 226 B9R1.15 O=CC1=C(Cl)CCCC1 31222 [0,1,0,1,0,0|0,0,2]=4 227 B9R1.15 O=CC1=C(O)C=CN=C1 P10968 [0,1,0,1,0,0|1,0,1]=4 228 B9R1.15 O=CC1=C(O)C=NC=C1 25615 [0,1,0,1,0,0|1,0,1]=4 229 B9R1.15 OCC1=C(Br)C=CN=C1 71972 [0,1,0,1,0,0|2,0,0]=4 230 B9R1.15 OCC1=C(F)C=CN=C1 P15839 [0,1,0,1,0,0|2,0,0]=4 231 B9R1.15 OCC1=C(O)C=NC=C1 D84251 [0,1,0,1,0,0|1,0,1]=4 232 B9R1.22 CN1C=C(Br)N=C1C=O W16940 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.27 CC1=C(C=O)N(C)C=N1 C15686 [0,1,0,1,0,0|2,0,0]=4 234 B9R1.27 CN1C=NC(I)=C1C=O P10192 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.27 CN1N=CC(Br)=C1C=O 71410 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.27 CN1N=CC(I)=C1C=O W16901 [0,1,0,1,0,0|2,0,0]=4 237 B9R1.33 CN1C=CC=C1CCN 70855 [0,1,0,1,0,0|2,0,0]=4 238 B9R1.33 CN1C=CC=C1CCO F13299 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.69 CC1=C(F)C=C(Cl)C=C1 D77788 [0,1,0,1,0,0|1,0,1]=4 240 B9R1.69 CC1=C(F)C=CC(Br)=C1 AC7936 [0,1,0,1,0,0|1,0,1]=4 241 B9R1.69 CC1=C(N)C=CC(N)=C1 D87687 [0,1,0,1,0,0|1,0,1]=4 242 B9R1.69 CC1=C(O)C=C(I)C=C1 D76555 [0,1,0,1,0,0|0,0,2]=4 243 B9R1.69 CC1=C(O)C=CC(S)=C1 63544 [0,1,0,1,0,0|0,0,2]=4 244 B9R1.69 CC1=CC=C(Cl)NC1=O 78111 [0,1,0,1,0,0|1,0,1]=4 245 B9R1.69 CN1C=C(F)C=CC1=O C75398 [0,1,0,1,0,0|1,0,0]=3 246 B9R1.69 CN1C=CC(=O)NC1=O AT19346 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.69 CN1C=CC(Cl)=NC1=O AC9729 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.69 CN1C=CC(I)=CC1=O W16774 [0,1,0,1,0,0|1,0,0]=3 249 B9R1.69 CN1C=CC(N)=NC1=O CS1032 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.69 CN1C=CC(O)=CC1=O 32621 [0,1,0,1,0,0|1,0,0]=3 251 B9R1.69 CN1C=NC(Cl)=CC1=O 26623 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.69 CN1N=C(Br)C=CC1=O 72308 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.69 CN1N=C(Cl)C=CC1=O 68813 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.69 CN1N=CC(I)=CC1=O P13043 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.69 O=C1C=CC(=O)C(Br)=C1 T70875 [0,1,0,1,0,0|1,0,1]=4 256 B9R1.5 NC1=CC=CC=CC1=O F11661 [0,1,0,1,0,0|0,0,2]=4 257 B9R1.14 CCN1C=NC=C1C=O C73658 [0,1,0,1,0,0|1,0,0]=3 258 B9R1.14 CCN1C=NC=C1C=O S10760 [0,1,0,1,0,0|1,0,0]=3 259 B9R1.14 COC1=C(C=O)OC=C1 65862 [0,1,0,1,0,0|1,0,0]=3 260 B9R1.14 N#CC1=C(C=O)NC=C1 C75638 [0,1,0,1,0,0|1,0,1]=4 261 B9R1.1 BrCC1=NC=C(Br)C=C1 28859 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [0,1,0,1,0,0|2,0,0]=4 266 B9R1.1 CCC1=CN=C(N)C=N1 27455 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.1 CCC1=CN=C(O)C=C1 25325 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [0,1,0,1,0,0|1,0,0]=3 269 B9R1.1 CCC1=NC=C(Br)C=N1 27600 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [0,1,0,1,0,0|1,0,0]=3 271 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [0,1,0,1,0,0|1,0,0]=3 272 B9R1.1 CCC1=NC=C(N)C=N1 81903 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.1 CCC1=NN=C(Cl)C=C1 59639 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.1 CCC1=NNC(=O)C=C1 65671 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.1 CNC1=CC=C(O)C=C1 D77985 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.1 CNC1=NC=C(N)C=C1 C74450 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.1 ClCC1=CC=C(I)C=C1 AB8901 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.1 ClCC1=NC=C(Br)C=C1 12269 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.1 ClCC1=NC=C(Br)C=C1 C77222 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.1 FCC1=CC=C(Br)C=C1 W10394 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.1 NC1=CN=C(C=O)C=C1 D77164 [0,1,0,1,0,0|1,0,1]=4 282 B9R1.1 NCC1=CC=C(O)C=C1 AC1832 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.1 NCC1=NC=C(Br)C=C1 32062 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.1 NCC1=NC=C(Cl)C=C1 W13681 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.1 NCC1=NC=C(F)C=C1 70856 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.1 NCC1=NC=C(N)C=C1 O11499 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.1 NCC1=NC=C(N)C=C1 W11510 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.1 NCC1=NC=C(O)C=C1 24338 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.1 O=CC1=NN=C(Br)C=C1 P20764 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.1 O=CC1=NN=C(Cl)C=C1 25514 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.1 O=CC1=NN=C(O)C=C1 C77199 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.1 OCC1=CC=C(S)C=C1 Y11017 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.3 CC1=C(I)C=CNC1=O W18300 [0,1,0,1,0,0|1,0,1]=4 294 B9R1.3 CC1=C(O)C=CNC1=O D94824 [0,1,0,1,0,0|1,0,1]=4 295 B9R1.3 CC1=CC=CC(I)=C1Br CL9287 [0,1,0,1,0,0|1,0,1]=4 296 B9R1.3 CC1=CC=CC(I)=C1Cl D82348 [0,1,0,1,0,0|1,0,1]=4 297 B9R1.3 CC1=CC=CC(I)=C1F 55203 [0,1,0,1,0,0|1,0,1]=4 298 B9R1.3 CN1C(=O)C=CC=C1Br C76858 [0,1,0,1,0,0|1,0,0]=3 299 B9R1.3 CN1C(=O)C=CNC1=O F12763 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.3 CN1C=CC=C(Br)C1=O P11117 [0,1,0,1,0,0|1,0,0]=3 301 B9R1.3 CN1C=CC=C(N)C1=O CS1614 [0,1,0,1,0,0|1,0,0]=3 302 B9R1.3 CN1C=NC=C(Br)C1=O P19038 [0,1,0,1,0,0|2,0,0]=4 303 B9R1.11 CCC(=O)C1=CNC=N1 D93407 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.11 CCC(=O)C1=COC=C1 N14291 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.11 CCC(=O)C1=NC=CS1 F53520 [0,1,0,1,0,0|1,1,0]=4 306 B9R1.11 CC[C@H](N)C1=CC=CO1 N16694 [0,1,0,1,0,0|0,0,2]=4 307 B9R1.11 O=C(CBr)C1=CC=CO1 D79351 [0,1,0,1,0,0|1,0,1]=4 308 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [0,1,0,1,0,0|1,0,1]=4 309 B9R1.11 O=CC(=O)C1=CC=CO1 D94856 [0,1,0,1,0,0|1,0,1]=4 310 B9R1.21 CCC1=CSC(C=O)=N1 H10618 [0,1,0,1,0,0|1,0,0]=3 311 B9R1.21 CCC1=NC=C(C=O)N1 AT15333 [0,1,0,1,0,0|1,0,0]=3 312 B9R1.21 CCC1=NC=C(C=O)S1 O10772 [0,1,0,1,0,0|1,0,0]=3 313 B9R1.21 CCC1=NOC(C=O)=C1 D79227 [0,1,0,1,0,0|2,0,0]=4 314 B9R1.21 CCN1C=NC(C=O)=C1 AT15572 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.21 O=CC1=CC=C(CBr)O1 N16894 [0,1,0,1,0,0|1,0,0]=3 316 B9R1.21 O=CC1=CC=C(CO)N1 O11303 [0,1,0,1,0,0|1,0,0]=3 317 B9R1.132 CC1=CNC(C=O)=C1C 39169 [0,1,0,1,0,0|1,0,1]=4 318 B9R1.132 CC1=NC=C(C=O)N1C C15385 [0,1,0,1,0,0|2,0,0]=4 319 B9R1.132 CN1C(Br)=CC=C1C=O O11356 [0,1,0,1,0,0|1,0,0]=3 320 B9R1.132 CN1C(Br)=CN=C1C=O P17173 [0,1,0,1,0,0|2,0,0]=4 321 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [0,1,0,1,0,0|1,0,1]=4 322 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [0,1,0,1,0,0|1,0,0]=3 324 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [0,1,0,1,0,0|1,0,0]=3 325 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [0,1,0,1,0,0|2,0,0]=4 326 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [0,1,0,1,0,0|2,0,0]=4 329 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [0,1,0,1,0,0|2,0,0]=4 331 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90214 [0,1,0,1,0,0|2,0,0]=4 333 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90215 [0,1,0,1,0,0|2,0,0]=4 334 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90324 [0,1,0,1,0,0|2,0,0]=4 335 B9R1.6 C[C@H](N)C1=NC=CC=N1 S11170 [0,1,0,1,0,0|2,0,0]=4 336 B9R1.6 C[C@H](N)C1=NC=CN=C1 24931 [0,1,0,1,0,0|2,0,0]=4 337 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [0,1,0,1,0,0|1,0,0]=3 338 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [0,1,0,1,0,0|1,0,0]=3 339 B9R1.6 C[C@H](O)C1=NC=CC=N1 72303 [0,1,0,1,0,0|2,0,0]=4 340 B9R1.6 C[C@H](O)C1=NC=CC=N1 P19373 [0,1,0,1,0,0|2,0,0]=4 341 B9R1.6 C[C@H](O)C1=NC=CC=N1 P20178 [0,1,0,1,0,0|2,0,0]=4 342 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [0,1,0,1,0,0|2,0,0]=4 343 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [0,1,0,1,0,0|2,0,0]=4 344 B9R1.6 NC(=O)C1=NN=CC=C1 F30255 [0,1,0,1,0,0|2,0,0]=4 345 B9R1.6 O=C(Cl)C1=NN=CC=C1 D93513 [0,1,0,1,0,0|2,0,0]=4 346 B9R1.6 O=C(O)C1=CCNCC1 30668 [0,1,0,1,0,0|1,0,1]=4 347 B9R1.13 O=C(O)CC1=CCC=C1 78226 [0,1,0,1,0,0|0,0,2]=4 348 B9R1.41 CC(=O)C1=CN=CN1C W13364 [0,1,0,1,0,0|2,0,0]=4 349 B9R1.41 CC(=O)C1=CNC=C1C W17613 [0,1,0,1,0,0|1,0,1]=4 350 B9R1.41 CC(=O)C1=NC=CN1C 38319 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.41 CC1=C(C(=O)O)C=CN1 W10234 [0,1,0,1,0,0|1,0,1]=4 352 B9R1.41 CN1C=NC=C1C(=O)Cl 64255 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.41 CN1N=CC=C1C(=O)Cl 79490 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.41 CN1N=CC=C1C(N)=O D86182 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.41 NC(=O)C1=CC=CN1N P15055 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.84 O=C(O)\C=C\C1CCC1 F53092 [0,1,0,1,0,0|0,0,2]=4