0 B8R1.8 BrCCN1C=CC=N1 SY032735 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 BrCCN1C=CN=N1 SY040489 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.8 BrCCN1C=NC=N1 SY040486 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 BrCCN1N=CC=N1 SY253019 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 C#CCC1=NC=CN1 SY283980 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.8 CCCC1=NC=CN1 SY021502 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.8 CCCC1=NNC=C1 SY147130 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.8 CCCN1C=CC=N1 SY023536 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.8 CCCN1C=CN=C1 SY029323 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.8 CNCC1=CC=CS1 SY002432 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.8 CNCC1=CC=CS1 SY002436 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.8 CNCC1=COC=C1 SY014265 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.8 COCC1=CN=CN1 SY159476 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.8 COCC1=NNC=C1 SY262778 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.8 ClCCC1=CNC=N1 SY019470 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.8 ClCCC1=CNN=C1 SY040390 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.8 N#CCC1=CC=CN1 SY017222 [0,0,0,0,0,0|1,0,2]=3 17 B8R1.8 N#CCC1=CC=NO1 SY233661 [0,0,0,0,0,0|1,1,2]=4 18 B8R1.8 N#CCC1=CN=CO1 SY232342 [0,0,0,0,0,0|1,1,2]=4 19 B8R1.8 N#CCC1=CNC=N1 SY041793 [0,0,0,0,0,0|2,0,2]=4 20 B8R1.8 N#CCC1=NNC=C1 SY012822 [0,0,0,0,0,0|2,0,2]=4 21 B8R1.8 NCCC1=CC=CN1 SY010719 [0,0,0,0,0,0|1,0,0]=1 22 B8R1.8 NCCC1=CC=CN1 SY011737 [0,0,0,0,0,0|1,0,0]=1 23 B8R1.8 NCCC1=CC=CO1 SY021981 [0,0,0,0,0,0|0,1,0]=1 24 B8R1.8 NCCC1=CC=CS1 SY004316 [0,0,0,0,0,0|0,0,0]=0 25 B8R1.8 NCCC1=CNC=N1 SY012860 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.8 NCCC1=CNC=N1 SY041787 [0,0,0,0,0,0|2,0,0]=2 27 B8R1.8 NCCC1=CNN=C1 SY039272 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.8 NCCC1=CSC=C1 SY034366 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.8 NCCC1=NC=CN1 SY010697 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.8 NCCC1=NC=CN1 SY059809 [0,0,0,0,0,0|2,0,0]=2 31 B8R1.8 NCCC1=NN=NN1 SY019879 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.8 NCCC1=NN=NN1 SY021057 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.8 NCCC1=NNC=C1 SY021017 [0,0,0,0,0,0|2,0,0]=2 34 B8R1.8 NCCC1=NNC=C1 SY040011 [0,0,0,0,0,0|2,0,0]=2 35 B8R1.8 NCCN1C=CC=N1 SY014106 [0,0,0,0,0,0|2,0,0]=2 36 B8R1.8 NCCN1C=CN=C1 SY014254 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.8 NCCN1C=CN=C1 SY079565 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.8 NCCN1C=CN=C1 SY110715 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.8 NCCN1C=NC=N1 SY008838 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.8 NCCN1C=NN=C1 SY022380 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.8 NOCC1=CSC=C1 SY281788 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.8 NOCC1=CSC=C1 SY281789 [0,0,0,0,0,0|3,0,0]=3 43 B8R1.8 OCCC1=CNN=C1 SY007566 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.8 OCCC1=CSC=C1 SY003714 [0,0,0,0,0,0|3,0,0]=3 45 B8R1.8 OCCC1=NC=CN1 SY009459 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.8 OCCN1C=CC=N1 SY006325 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.8 OCCN1C=CN=C1 SY007581 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.8 OCCN1C=NC=N1 SY078705 [0,0,0,0,0,0|4,0,0]=4 49 B7R1.1 BrCC1=CSC=C1 SY021673 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.1 BrCC1=NC=CN1 SY024828 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.1 BrCC1=NC=CO1 SY024822 [1,0,0,0,0,0|2,1,0]=4 52 B7R1.1 C#CC1=CC=CN1 SY281703 [1,0,0,0,0,0|1,0,2]=4 53 B7R1.1 C#CC1=CC=CO1 SY253025 [1,0,0,0,0,0|0,1,2]=4 54 B7R1.1 C#CC1=CC=CS1 SY021631 [1,0,0,0,0,0|0,0,2]=3 55 B7R1.1 C=CC1=CC=CS1 SY024253 [1,0,0,0,0,0|0,0,2]=3 56 B7R1.1 CCC1=CC=CS1 SY048489 [1,0,0,0,0,0|0,0,0]=1 57 B7R1.1 CCC1=CNC=N1 SY055411 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.1 CCC1=CSC=C1 SY036406 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.1 CCN1C=CC=N1 SY014479 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.1 CNC1=NC=CS1 SY104581 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.1 COC1=NNC=C1 SY147600 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.1 CSC1=NC=CN1 SY025774 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.1 ClCC1=CN=CO1 SY232319 [1,0,0,0,0,0|2,1,0]=4 64 B7R1.1 ClCC1=NC=CO1 SY016952 [1,0,0,0,0,0|2,1,0]=4 65 B7R1.1 ClCC1=NC=CS1 SY031528 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.1 ClCC1=NNC=C1 SY012821 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.1 N#CC1=CC=CN1 SY012801 [1,0,0,0,0,0|1,0,2]=4 68 B7R1.1 N#CC1=CC=CO1 SY048410 [1,0,0,0,0,0|0,1,2]=4 69 B7R1.1 N#CC1=CN=CS1 SY043007 [1,0,0,0,0,0|1,0,2]=4 70 B7R1.1 N#CC1=NC=CS1 SY013085 [1,0,0,0,0,0|1,0,2]=4 71 B7R1.1 NCC1=CC=CN1 SY032090 [1,0,0,0,0,0|1,0,0]=2 72 B7R1.1 NCC1=CC=NO1 SY021529 [1,0,0,0,0,0|1,1,0]=3 73 B7R1.1 NCC1=CNC=N1 SY018114 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.1 NCC1=CNN=C1 SY042195 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.1 NCC1=CNN=N1 SY192945 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.1 NCC1=COC=C1 SY002989 [1,0,0,0,0,0|2,0,0]=3 77 B7R1.1 NCC1=COC=N1 SY026493 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.1 NCC1=COC=N1 SY043130 [1,0,0,0,0,0|2,0,0]=3 79 B7R1.1 NCC1=CON=C1 SY211967 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.1 NCC1=CSC=C1 SY006774 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.1 NCC1=CSC=C1 SY018599 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.1 NCC1=CSC=N1 SY021530 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.1 NCC1=CSC=N1 SY023202 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.1 NCC1=NC=CN1 SY025359 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.1 NCC1=NC=CO1 SY026394 [1,0,0,0,0,0|1,1,0]=3 86 B7R1.1 NCC1=NC=CS1 SY005679 [1,0,0,0,0,0|1,0,0]=2 87 B7R1.1 NCC1=NC=CS1 SY005981 [1,0,0,0,0,0|1,0,0]=2 88 B7R1.1 NCC1=NNC=C1 SY005508 [1,0,0,0,0,0|2,0,0]=3 89 B7R1.1 NCC1=NNC=N1 SY035453 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.1 NCC1=NOC=C1 SY024118 [1,0,0,0,0,0|2,0,0]=3 91 B7R1.1 NCC1=NOC=C1 SY034799 [1,0,0,0,0,0|2,0,0]=3 92 B7R1.1 O=CC1=CC=CN1 SY001497 [1,0,0,0,0,0|2,0,1]=4 93 B7R1.1 O=CC1=CN=CS1 SY005766 [1,0,0,0,0,0|2,0,1]=4 94 B7R1.1 O=CC1=NC=CS1 SY005879 [1,0,0,0,0,0|2,0,1]=4 95 B7R1.1 OCC1=CC=CS1 SY036796 [1,0,0,0,0,0|1,0,0]=2 96 B7R1.1 OCC1=CC=NO1 SY179337 [1,0,0,0,0,0|2,1,0]=4 97 B7R1.1 OCC1=CN=CO1 SY025391 [1,0,0,0,0,0|2,1,0]=4 98 B7R1.1 OCC1=CN=CS1 SY002035 [1,0,0,0,0,0|2,0,0]=3 99 B7R1.1 OCC1=CNC=N1 SY003265 [1,0,0,0,0,0|3,0,0]=4 100 B7R1.1 OCC1=COC=C1 SY033055 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.1 OCC1=COC=N1 SY012558 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.1 OCC1=CSC=C1 SY017648 [1,0,0,0,0,0|3,0,0]=4 103 B7R1.1 OCC1=NC=CN1 SY041704 [1,0,0,0,0,0|3,0,0]=4 104 B7R1.1 OCC1=NC=CS1 SY017208 [1,0,0,0,0,0|2,0,0]=3 105 B7R1.1 OCC1=NNC=C1 SY012820 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.7 CC1=CC=C(CCN)S1 SY024090 [0,1,0,0,0,0|0,0,0]=1 107 B9R1.7 CC1=CC=C(CCN)S1 SY024091 [0,1,0,0,0,0|0,0,0]=1 108 B9R1.7 CC1=NC(CCO)=CS1 SY023469 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.7 CCCC1=CC(=O)NO1 SY248527 [0,1,0,0,0,0|2,1,0]=4 110 B9R1.7 CCCC1=CC(N)=NN1 SY014078 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.7 CCCC1=NOC(N)=C1 SY077214 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.7 CCCN1C=C(N)C=N1 SY263353 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.7 CCCN1C=CC(O)=N1 SY249519 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.7 CN1C=C(CCN)C=N1 SY039274 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.7 FCCN1C=C(I)C=N1 SY262786 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.7 N#CCC1=CC=C(Cl)O1 SY262145 [0,1,0,0,0,0|0,1,2]=4 117 B9R1.7 N#CCC1=CC=C(Cl)S1 SY186530 [0,1,0,0,0,0|0,0,2]=3 118 B9R1.7 N#CCC1=NC=C(Cl)S1 SY262144 [0,1,0,0,0,0|1,0,2]=4 119 B9R1.7 NC1=CN(CCO)N=C1 SY113975 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.7 NC1=NC=C(CCO)S1 SY026958 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.7 NCCC1=CC(Br)=CS1 SY059871 [0,1,0,0,0,0|0,0,0]=1 122 B9R1.7 NCCC1=CC=C(Br)S1 SY058795 [0,1,0,0,0,0|0,0,0]=1 123 B9R1.7 OCCN1C=C(Br)C=N1 SY024912 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.7 OCCN1C=C(I)C=N1 SY120041 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.7 [C-]#[N+]CC1=CC=C(C)O1 SY263040 [0,1,0,0,0,0|2,1,0]=4 126 B9R1.11 CC(CN)C1=CN=CS1 SY271543 [0,1,0,0,0,0|1,0,0]=2 127 B9R1.11 CCC(=O)C1=CC=CS1 SY031388 [0,1,0,0,0,0|1,0,1]=3 128 B9R1.11 COC(=O)C1=CC=CS1 SY048432 [0,1,0,0,0,0|2,0,1]=4 129 B9R1.11 NC(CO)C1=NC=CO1 SY291774 [0,1,0,0,0,0|2,1,0]=4 130 B9R1.11 NCC(=O)C1=CSC=C1 SY269123 [0,1,0,0,0,0|2,0,1]=4 131 B9R1.11 NNC(=O)C1=CC=CO1 SY048471 [0,1,0,0,0,0|1,1,1]=4 132 B9R1.11 NNC(=O)C1=CC=CS1 SY048333 [0,1,0,0,0,0|1,0,1]=3 133 B9R1.11 O=C(CBr)C1=CC=CO1 SY040209 [0,1,0,0,0,0|1,1,1]=4 134 B9R1.11 O=C(CBr)C1=NC=CS1 SY029755 [0,1,0,0,0,0|2,0,1]=4 135 B9R1.11 O=C(CO)C1=CC=CO1 SY131034 [0,1,0,0,0,0|1,1,1]=4 136 B9R1.11 O=C(CO)C1=CC=CS1 SY131036 [0,1,0,0,0,0|1,0,1]=3 137 B9R1.12 CCCCC1=NC=CN1 SY032916 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.12 CCNCC1=CC=CS1 SY002526 [0,1,0,0,0,0|1,0,0]=2 139 B9R1.12 ICCCC1=CC=CS1 SY249459 [0,1,0,0,0,0|1,0,0]=2 140 B9R1.12 N#CCCN1C=CC=C1 SY011924 [0,1,0,0,0,0|2,0,1]=4 141 B9R1.12 NCCCC1=CC=CS1 SY035928 [0,1,0,0,0,0|0,0,0]=1 142 B9R1.12 O=CCCN1C=CC=N1 SY263158 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.12 OCCCC1=CC=CS1 SY003289 [0,1,0,0,0,0|1,0,0]=2 144 B9R1.12 OCCCC1=CSC=C1 SY026504 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.12 OCCCN1C=CC=N1 SY003679 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.13 CC(C)CC1=NNC=C1 SY025165 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.13 CC(N)CC1=CSC=N1 SY271542 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.13 CC(O)CC1=CC=CO1 SY021784 [0,1,0,0,0,0|1,1,0]=3 149 B9R1.13 CN(C)CC1=CC=CN1 SY017221 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.13 O=C(O)CC1=CC=CN1 SY010732 [0,1,0,0,0,0|2,0,1]=4 151 B9R1.13 O=C(O)CC1=NC=CS1 SY025481 [0,1,0,0,0,0|2,0,1]=4 152 B9R1.33 CC1=NC=CN1CCN SY033876 [0,1,0,0,0,0|3,0,0]=4 153 B9R2.2 C1=CN(C2CC2)N=C1 SY057500 [0,0,0,1,0,0|3,0,0]=4 154 B9R2.2 C1=CNC(C2CC2)=N1 SY014881 [0,0,0,1,0,0|3,0,0]=4 155 B9R2.2 C1=NC(C2CC2)=CS1 SY023291 [0,0,0,1,0,0|3,0,0]=4 156 B9R2.2 C1=NC=C(C2CC2)N1 SY059794 [0,0,0,1,0,0|3,0,0]=4 157 B9R2.2 C1=NNC(C2CC2)=C1 SY004983 [0,0,0,1,0,0|3,0,0]=4 158 B9R2.3 C1=CC2=C(C=CS2)S1 SY019859 [0,0,0,1,0,0|1,0,2]=4 159 B9R2.3 C1=CC2=C(CSC2)S1 SY246818 [0,0,0,1,0,0|2,0,0]=3 160 B9R2.3 C1=CC2=CSC=C2S1 SY238332 [0,0,0,1,0,0|2,0,1]=4 161 B9R2.3 C1=CN2CCCC2=N1 SY040307 [0,0,0,1,0,0|3,0,0]=4 162 B9R2.3 C1=NC2=C(CNC2)S1 SY018654 [0,0,0,1,0,0|3,0,0]=4 163 B9R2.3 C1=NC2=C(CNC2)S1 SY023812 [0,0,0,1,0,0|3,0,0]=4 164 B9R1.8 BrCCC1=NC=CC=C1 SY004999 [0,0,0,0,0,1|2,0,0]=3 165 B9R1.8 CCCC1=CC=CCC1 SY292099 [0,0,0,0,0,1|2,0,0]=3 166 B9R1.8 CCCC1=NC=CC=C1 SY035538 [0,0,0,0,0,1|2,0,0]=3 167 B9R1.8 CNCC1=CC=CN=C1 SY002368 [0,0,0,0,0,1|3,0,0]=4 168 B9R1.8 CNCC1=CC=NC=C1 SY002386 [0,0,0,0,0,1|3,0,0]=4 169 B9R1.8 CNCC1=NC=CC=C1 SY003781 [0,0,0,0,0,1|3,0,0]=4 170 B9R1.8 COCC1=CC=CC=C1 SY049310 [0,0,0,0,0,1|3,0,0]=4 171 B9R1.8 N#CCC1=CC=NC=C1 SY012818 [0,0,0,0,0,1|1,0,2]=4 172 B9R1.8 N#CCC1=NC=CC=N1 SY097474 [0,0,0,0,0,1|1,0,2]=4 173 B9R1.8 NCCC1=CC=CN=C1 SY003234 [0,0,0,0,0,1|1,0,0]=2 174 B9R1.8 NNCC1=CC=CC=C1 SY004756 [0,0,0,0,0,1|2,0,0]=3 175 B9R1.8 NNCC1=CC=CC=C1 SY004764 [0,0,0,0,0,1|2,0,0]=3 176 B9R1.8 NNCC1=NC=CC=C1 SY042125 [0,0,0,0,0,1|2,0,0]=3 177 B9R1.8 NOCC1=CC=CC=C1 SY005671 [0,0,0,0,0,1|2,0,0]=3 178 B9R1.8 NOCC1=CC=CC=C1 SY018100 [0,0,0,0,0,1|2,0,0]=3 179 B9R1.8 NOCC1=CC=CN=C1 SY029692 [0,0,0,0,0,1|2,0,0]=3 180 B9R1.8 NOCC1=CC=CN=C1 SY281597 [0,0,0,0,0,1|2,0,0]=3 181 B9R1.8 NOCC1=CC=NC=C1 SY281602 [0,0,0,0,0,1|2,0,0]=3 182 B9R1.8 NOCC1=CC=NC=C1 SY281603 [0,0,0,0,0,1|2,0,0]=3 183 B9R1.8 NOCC1=NC=CC=C1 SY281576 [0,0,0,0,0,1|2,0,0]=3 184 B9R1.8 NOCC1=NC=CC=C1 SY281577 [0,0,0,0,0,1|2,0,0]=3 185 B9R1.8 OCCC1=CC=CN=C1 SY004170 [0,0,0,0,0,1|2,0,0]=3 186 B9R1.8 OCCC1=CC=NC=C1 SY001138 [0,0,0,0,0,1|2,0,0]=3 187 B9R1.8 OCCC1=NC=CN=C1 SY025413 [0,0,0,0,0,1|2,0,0]=3 188 B9R1.8 ONCC1=CC=CC=C1 SY019534 [0,0,0,0,0,1|3,0,0]=4 189 B9R1.8 ONCC1=CC=CC=C1 SY024088 [0,0,0,0,0,1|3,0,0]=4 190 B9R1.8 SCCC1=CC=CC=C1 SY039368 [0,0,0,0,0,1|2,0,0]=3 191 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 SY263029 [0,0,0,0,0,1|3,0,0]=4 192 B6R1.2 BrC1=CN=CS1 SY005152 [2,0,0,0,0,0|2,0,0]=4 193 B6R1.2 BrC1=NC=CS1 SY001649 [2,0,0,0,0,0|2,0,0]=4 194 B6R1.2 CC1=CC=CN1 SY004787 [2,0,0,0,0,0|1,0,0]=3 195 B6R1.2 CC1=CC=NO1 SY038700 [2,0,0,0,0,0|1,1,0]=4 196 B6R1.2 CC1=CNC=C1 SY014135 [2,0,0,0,0,0|2,0,0]=4 197 B6R1.2 CC1=COC=N1 SY046619 [2,0,0,0,0,0|2,0,0]=4 198 B6R1.2 CC1=CSC=N1 SY004152 [2,0,0,0,0,0|2,0,0]=4 199 B6R1.2 CC1=NC=CS1 SY009541 [2,0,0,0,0,0|1,0,0]=3 200 B6R1.2 IC1=CC=CS1 SY001504 [2,0,0,0,0,0|1,0,0]=3 201 B6R1.2 NC1=CN=CS1 SY069459 [2,0,0,0,0,0|1,0,0]=3 202 B6R1.2 NC1=COC=C1 SY237155 [2,0,0,0,0,0|2,0,0]=4 203 B6R1.2 NC1=CSC=C1 SY003022 [2,0,0,0,0,0|2,0,0]=4 204 B6R1.2 NC1=CSC=C1 SY098699 [2,0,0,0,0,0|2,0,0]=4 205 B6R1.2 NC1=CSC=N1 SY017948 [2,0,0,0,0,0|2,0,0]=4 206 B6R1.2 NC1=NC=CN1 SY007805 [2,0,0,0,0,0|2,0,0]=4 207 B6R1.2 NC1=NC=CO1 SY004397 [2,0,0,0,0,0|1,1,0]=4 208 B6R1.2 NC1=NC=CS1 SY001447 [2,0,0,0,0,0|1,0,0]=3 209 B6R1.2 NC1=NC=CS1 SY112313 [2,0,0,0,0,0|1,0,0]=3 210 B6R1.2 NC1=NC=NS1 SY010738 [2,0,0,0,0,0|2,0,0]=4 211 B6R1.2 NC1=NC=NS1 SY021614 [2,0,0,0,0,0|2,0,0]=4 212 B6R1.2 NC1=NOC=C1 SY007959 [2,0,0,0,0,0|2,0,0]=4 213 B6R1.2 NN1C=CC=C1 SY041957 [2,0,0,0,0,0|2,0,0]=4 214 B6R1.2 OC1=CC=CS1 SY248518 [2,0,0,0,0,0|1,0,0]=3 215 B8R1.1 BrCC1=CC=C(Br)S1 SY257749 [1,1,0,0,0,0|1,0,0]=3 216 B8R1.1 C#CC1=CC(Br)=CS1 SY277113 [1,1,0,0,0,0|0,0,2]=4 217 B8R1.1 C#CC1=CC=C(Br)S1 SY027998 [1,1,0,0,0,0|0,0,2]=4 218 B8R1.1 C#CC1=CC=C(C)S1 SY284950 [1,1,0,0,0,0|0,0,2]=4 219 B8R1.1 CC1=CC(CN)=NO1 SY022793 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.1 CC1=CC=C(C#N)S1 SY106743 [1,1,0,0,0,0|0,0,2]=4 221 B8R1.1 CC1=CC=C(C=O)S1 SY005122 [1,1,0,0,0,0|1,0,1]=4 222 B8R1.1 CC1=CC=C(CN)S1 SY031087 [1,1,0,0,0,0|0,0,0]=2 223 B8R1.1 CC1=CC=C(CO)O1 SY046643 [1,1,0,0,0,0|1,1,0]=4 224 B8R1.1 CC1=CN=C(CN)S1 SY024631 [1,1,0,0,0,0|1,0,0]=3 225 B8R1.1 CC1=CNC(CN)=N1 SY025135 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.1 CC1=CSC(C=O)=C1 SY035937 [1,1,0,0,0,0|1,0,1]=4 227 B8R1.1 CC1=CSC(CN)=N1 SY023478 [1,1,0,0,0,0|1,0,0]=3 228 B8R1.1 CC1=NN=C(CN)S1 SY245683 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.1 CC1=NNC(CN)=C1 SY038660 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.1 CC1=NNC(CN)=C1 SY040860 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.1 CCC1=CC(N)=NN1 SY008703 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.1 CCC1=CC(O)=NO1 SY248522 [1,1,0,0,0,0|1,1,0]=4 233 B8R1.1 CCC1=CCC(C)=C1 SY308291 [1,1,0,0,0,0|1,0,1]=4 234 B8R1.1 CCC1=CN=C(N)S1 SY106256 [1,1,0,0,0,0|1,0,0]=3 235 B8R1.1 CCC1=NC(C)=CN1 SY036797 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.1 CCN1C=C(Br)C=N1 SY012330 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.1 CCN1C=C(I)C=N1 SY026014 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.1 CCN1C=C(N)C=N1 SY024886 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.1 CN1C=CC(CN)=N1 SY024167 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.1 CN1C=NC(CN)=C1 SY035068 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.1 ClC1=NC=C(CBr)S1 SY222476 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.1 ClC1=NC=C(CI)S1 SY251089 [1,1,0,0,0,0|2,0,0]=4 243 B8R1.1 N#CC1=CC(Br)=CS1 SY050901 [1,1,0,0,0,0|0,0,2]=4 244 B8R1.1 N#CC1=CC=C(Br)S1 SY051282 [1,1,0,0,0,0|0,0,2]=4 245 B8R1.1 N#CC1=CC=C(Cl)S1 SY042138 [1,1,0,0,0,0|0,0,2]=4 246 B8R1.1 NCC1=CC=C(Br)O1 SY019914 [1,1,0,0,0,0|0,1,0]=3 247 B8R1.1 NCC1=CC=C(Br)S1 SY019897 [1,1,0,0,0,0|0,0,0]=2 248 B8R1.1 NCC1=CC=C(F)S1 SY098666 [1,1,0,0,0,0|0,0,0]=2 249 B8R1.1 NCC1=CN=C(Cl)S1 SY031011 [1,1,0,0,0,0|1,0,0]=3 250 B8R1.1 O=CC1=CC(Br)=CS1 SY002444 [1,1,0,0,0,0|1,0,1]=4 251 B8R1.1 O=CC1=CC=C(Br)S1 SY006056 [1,1,0,0,0,0|1,0,1]=4 252 B8R1.1 O=CC1=CC=C(Cl)S1 SY005588 [1,1,0,0,0,0|1,0,1]=4 253 B8R1.1 OCC1=CC(Br)=CS1 SY023657 [1,1,0,0,0,0|1,0,0]=3 254 B8R1.1 OCC1=CC=C(Cl)O1 SY251088 [1,1,0,0,0,0|1,1,0]=4 255 B8R1.1 OCC1=CC=C(I)O1 SY264013 [1,1,0,0,0,0|1,1,0]=4 256 B8R1.1 OCC1=CN=C(Br)S1 SY040567 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.1 OCC1=NC(Br)=CS1 SY097640 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.1 OCC1=NC=C(Br)S1 SY028411 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.7 C=C(C)C1=CC=CO1 SY225341 [1,1,0,0,0,0|0,1,1]=4 260 B8R1.7 C=C(C)C1=CC=CS1 SY225340 [1,1,0,0,0,0|0,0,1]=3 261 B8R1.7 CC(=O)C1=CC=CN1 SY011279 [1,1,0,0,0,0|1,0,1]=4 262 B8R1.7 CC(=O)C1=NC=CS1 SY004958 [1,1,0,0,0,0|1,0,1]=4 263 B8R1.7 CC(C)C1=CNC=N1 SY037472 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.7 CC(C)C1=NNC=C1 SY025107 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.7 CC(C)N1C=CC=C1 SY300558 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.7 CC(C)N1C=CC=N1 SY024130 [1,1,0,0,0,0|2,0,0]=4 267 B8R1.7 CC(N)C1=NC=CS1 SY006409 [1,1,0,0,0,0|1,0,0]=3 268 B8R1.7 CC(N)C1=NC=CS1 SY020075 [1,1,0,0,0,0|1,0,0]=3 269 B8R1.7 C[C@@H](N)C1=CC=CS1 SY193850 [1,1,0,0,0,0|0,0,0]=2 270 B8R1.7 C[C@@H](N)C1=CNC=N1 SY307692 [1,1,0,0,0,0|2,0,0]=4 271 B8R1.7 C[C@H](N)C1=CNC=N1 SY307691 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.7 FC(F)C1=CC=CS1 SY265629 [1,1,0,0,0,0|1,0,0]=3 273 B8R1.7 FC(F)C1=CN=CS1 SY265771 [1,1,0,0,0,0|2,0,0]=4 274 B8R1.7 FC(F)C1=NC=CS1 SY265772 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.7 N=C(N)C1=NC=CS1 SY013207 [1,1,0,0,0,0|1,0,1]=4 276 B8R1.7 O=C(O)C1=CC=CS1 SY001476 [1,1,0,0,0,0|1,0,1]=4 277 B8R1.7 OB(O)C1=CC=CS1 SY002974 [1,1,0,0,0,0|2,0,0]=4 278 B8R1.11 CCC1=CN=CN1C SY268701 [1,1,0,0,0,0|2,0,0]=4 279 B8R1.11 CCC1=NNC=C1I SY247711 [1,1,0,0,0,0|2,0,0]=4 280 B8R1.11 CCN1N=CC=C1N SY042021 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.11 CN1C=CN=C1CN SY020883 [1,1,0,0,0,0|2,0,0]=4 282 B8R1.11 CN1C=NC=C1CN SY004189 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.11 CN1N=CC=C1CN SY023427 [1,1,0,0,0,0|2,0,0]=4 284 B8R1.11 CN1N=CC=C1CN SY035234 [1,1,0,0,0,0|2,0,0]=4 285 B8R1.11 N#CC1=C(Br)C=CS1 SY023656 [1,1,0,0,0,0|0,0,2]=4 286 B8R1.11 NC1=C(CO)SC=C1 SY269223 [1,1,0,0,0,0|1,0,0]=3 287 B8R1.11 O=CC1=C(Br)C=CS1 SY019172 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.1 CC1=CC=C(CCO)C=C1 SY036805 [0,1,0,0,0,1|2,0,0]=4 289 B10R1.1 CC1=CC=C(CNN)C=C1 SY048073 [0,1,0,0,0,1|2,0,0]=4 290 B10R1.1 CCCC1=CC=C(Br)C=C1 SY016468 [0,1,0,0,0,1|2,0,0]=4 291 B10R1.1 ClC1=CC=C(CCBr)C=C1 SY101293 [0,1,0,0,0,1|2,0,0]=4 292 B10R1.1 FC1=CC=C(CCBr)C=C1 SY004855 [0,1,0,0,0,1|2,0,0]=4 293 B10R1.1 NC1=CC=C(CCO)C=C1 SY030989 [0,1,0,0,0,1|2,0,0]=4 294 B10R1.1 NCCC1=CC=C(Br)C=C1 SY004635 [0,1,0,0,0,1|1,0,0]=3 295 B10R1.1 NCCC1=CC=C(Cl)C=C1 SY006689 [0,1,0,0,0,1|1,0,0]=3 296 B10R1.1 NCCC1=CC=C(F)C=C1 SY279169 [0,1,0,0,0,1|1,0,0]=3 297 B10R1.1 NCCC1=CC=C(N)C=C1 SY002473 [0,1,0,0,0,1|1,0,0]=3 298 B10R1.1 NCCC1=CC=C(O)C=C1 SY002127 [0,1,0,0,0,1|1,0,0]=3 299 B10R1.1 NCCC1=CC=C(O)C=C1 SY057039 [0,1,0,0,0,1|1,0,0]=3 300 B10R1.1 NNCC1=CC=C(Br)C=C1 SY048080 [0,1,0,0,0,1|2,0,0]=4 301 B10R1.1 NOCC1=CC=C(Br)C=C1 SY281555 [0,1,0,0,0,1|2,0,0]=4 302 B10R1.1 NOCC1=CC=C(Br)C=C1 SY281556 [0,1,0,0,0,1|2,0,0]=4 303 B10R1.1 NOCC1=CC=C(F)C=C1 SY246091 [0,1,0,0,0,1|2,0,0]=4 304 B10R1.1 NOCC1=CC=C(I)C=C1 SY281768 [0,1,0,0,0,1|2,0,0]=4 305 B10R1.1 NOCC1=CC=C(I)C=C1 SY281769 [0,1,0,0,0,1|2,0,0]=4 306 B10R1.1 NOCC1=NC=C(Br)C=C1 SY281642 [0,1,0,0,0,1|2,0,0]=4 307 B10R1.1 NOCC1=NC=C(Br)C=C1 SY281643 [0,1,0,0,0,1|2,0,0]=4 308 B10R1.1 NOCC1=NC=C(Cl)C=C1 SY281648 [0,1,0,0,0,1|2,0,0]=4 309 B10R1.1 NOCC1=NC=C(Cl)C=C1 SY281649 [0,1,0,0,0,1|2,0,0]=4 310 B10R1.1 OC1=CC=C(CCBr)C=C1 SY020164 [0,1,0,0,0,1|2,0,0]=4 311 B10R1.1 OCCC1=CC=C(Br)C=C1 SY002573 [0,1,0,0,0,1|2,0,0]=4 312 B10R1.1 OCCC1=CC=C(Br)N=C1 SY253046 [0,1,0,0,0,1|2,0,0]=4 313 B10R1.1 OCCC1=CC=C(Cl)C=C1 SY018274 [0,1,0,0,0,1|2,0,0]=4 314 B10R1.1 OCCC1=CC=C(Cl)N=C1 SY035951 [0,1,0,0,0,1|2,0,0]=4 315 B10R1.1 OCCC1=CC=C(F)C=C1 SY016325 [0,1,0,0,0,1|2,0,0]=4 316 B10R1.1 OCCC1=CC=C(F)N=C1 SY262258 [0,1,0,0,0,1|2,0,0]=4 317 B10R1.1 OCCC1=CC=C(I)C=C1 SY105110 [0,1,0,0,0,1|2,0,0]=4 318 B10R1.1 OCCC1=CC=C(O)C=C1 SY001653 [0,1,0,0,0,1|2,0,0]=4 319 B10R1.1 OCCC1=NC=C(Br)C=C1 SY234050 [0,1,0,0,0,1|2,0,0]=4 320 B10R1.4 CC1=CC=CC=C1CCO SY036944 [0,1,0,0,0,1|2,0,0]=4 321 B10R1.4 ClC1=C(CCBr)C=CC=C1 SY004845 [0,1,0,0,0,1|2,0,0]=4 322 B10R1.4 FC1=CC=CC=C1CCCl SY035952 [0,1,0,0,0,1|2,0,0]=4 323 B10R1.4 NCCC1=CC=CC=C1N SY104426 [0,1,0,0,0,1|1,0,0]=3 324 B10R1.4 NCCC1=CC=CC=C1O SY040467 [0,1,0,0,0,1|1,0,0]=3 325 B10R1.4 NNCC1=CC=CC=C1Br SY048078 [0,1,0,0,0,1|2,0,0]=4 326 B10R1.4 NNCC1=CC=CC=C1Cl SY040715 [0,1,0,0,0,1|2,0,0]=4 327 B10R1.4 NNCC1=CC=CC=C1F SY033589 [0,1,0,0,0,1|2,0,0]=4 328 B10R1.4 NOCC1=C(Br)C=NC=C1 SY281604 [0,1,0,0,0,1|2,0,0]=4 329 B10R1.4 NOCC1=C(Br)C=NC=C1 SY281605 [0,1,0,0,0,1|2,0,0]=4 330 B10R1.4 NOCC1=C(F)C=NC=C1 SY281606 [0,1,0,0,0,1|2,0,0]=4 331 B10R1.4 NOCC1=C(F)C=NC=C1 SY281607 [0,1,0,0,0,1|2,0,0]=4 332 B10R1.4 NOCC1=CC=CC=C1Br SY281558 [0,1,0,0,0,1|2,0,0]=4 333 B10R1.4 NOCC1=CC=CC=C1Br SY281559 [0,1,0,0,0,1|2,0,0]=4 334 B10R1.4 NOCC1=CC=CC=C1Cl SY281561 [0,1,0,0,0,1|2,0,0]=4 335 B10R1.4 NOCC1=CC=CC=C1F SY047853 [0,1,0,0,0,1|2,0,0]=4 336 B10R1.4 NOCC1=CC=CC=C1F SY281571 [0,1,0,0,0,1|2,0,0]=4 337 B10R1.4 NOCC1=CC=CC=C1I SY281752 [0,1,0,0,0,1|2,0,0]=4 338 B10R1.4 NOCC1=NC=CC=C1F SY281659 [0,1,0,0,0,1|2,0,0]=4 339 B10R1.4 NOCC1=NC=CC=C1F SY281660 [0,1,0,0,0,1|2,0,0]=4 340 B10R1.4 OCCC1=C(Br)C=CC=C1 SY011299 [0,1,0,0,0,1|2,0,0]=4 341 B10R1.4 OCCC1=C(Cl)C=CC=C1 SY005018 [0,1,0,0,0,1|2,0,0]=4 342 B10R1.4 OCCC1=CC=CC=C1F SY021828 [0,1,0,0,0,1|2,0,0]=4 343 B10R1.4 OCCC1=CC=CC=C1I SY096684 [0,1,0,0,0,1|2,0,0]=4 344 B10R1.4 OCCC1=CC=CC=C1O SY066615 [0,1,0,0,0,1|2,0,0]=4 345 B10R1.4 OCCC1=NC=CN=C1Cl SY247692 [0,1,0,0,0,1|2,0,0]=4 346 B10R1.10 CC1=CC(CCO)=CC=C1 SY051329 [0,1,0,0,0,1|2,0,0]=4 347 B10R1.10 CC1=CC(CON)=CC=C1 SY281673 [0,1,0,0,0,1|2,0,0]=4 348 B10R1.10 CC1=CC(CON)=CC=C1 SY281674 [0,1,0,0,0,1|2,0,0]=4 349 B10R1.10 CC1=CC=CC(CCO)=N1 SY162922 [0,1,0,0,0,1|2,0,0]=4 350 B10R1.10 CC1=CC=CC(CON)=N1 SY281644 [0,1,0,0,0,1|2,0,0]=4 351 B10R1.10 CC1=CC=CC(CON)=N1 SY281645 [0,1,0,0,0,1|2,0,0]=4 352 B10R1.10 CC1=NC(CCBr)=CC=C1 SY224318 [0,1,0,0,0,1|2,0,0]=4 353 B10R1.10 ClC1=CC=CC(CCBr)=C1 SY004844 [0,1,0,0,0,1|2,0,0]=4 354 B10R1.10 FC1=CC(CCBr)=CC=C1 SY035660 [0,1,0,0,0,1|2,0,0]=4 355 B10R1.10 NC1=CC(CCO)=CC=C1 SY076026 [0,1,0,0,0,1|2,0,0]=4 356 B10R1.10 NC1=CC(CCO)=NC=N1 SY248870 [0,1,0,0,0,1|2,0,0]=4 357 B10R1.10 NC1=CC=NC(CCO)=C1 SY026069 [0,1,0,0,0,1|2,0,0]=4 358 B10R1.10 NCCC1=CC=CC(Cl)=C1 SY011429 [0,1,0,0,0,1|1,0,0]=3 359 B10R1.10 NCCC1=CC=CC(O)=C1 SY005806 [0,1,0,0,0,1|1,0,0]=3 360 B10R1.10 NNCC1=CC=CC(Br)=C1 SY048079 [0,1,0,0,0,1|2,0,0]=4 361 B10R1.10 NNCC1=CC=CC(Cl)=C1 SY040680 [0,1,0,0,0,1|2,0,0]=4 362 B10R1.10 NNCC1=CC=CC(F)=C1 SY048077 [0,1,0,0,0,1|2,0,0]=4 363 B10R1.10 NOCC1=CC(Br)=CN=C1 SY281624 [0,1,0,0,0,1|2,0,0]=4 364 B10R1.10 NOCC1=CC(Br)=CN=C1 SY281625 [0,1,0,0,0,1|2,0,0]=4 365 B10R1.10 NOCC1=CC=CC(Br)=C1 SY281696 [0,1,0,0,0,1|2,0,0]=4 366 B10R1.10 NOCC1=CC=CC(Br)=C1 SY281697 [0,1,0,0,0,1|2,0,0]=4 367 B10R1.10 NOCC1=CC=CC(F)=C1 SY281567 [0,1,0,0,0,1|2,0,0]=4 368 B10R1.10 NOCC1=CC=CC(I)=C1 SY281770 [0,1,0,0,0,1|2,0,0]=4 369 B10R1.10 NOCC1=CC=CC(I)=C1 SY281771 [0,1,0,0,0,1|2,0,0]=4 370 B10R1.10 OCCC1=CC(Br)=CC=C1 SY006105 [0,1,0,0,0,1|2,0,0]=4 371 B10R1.10 OCCC1=CC(Cl)=CC=C1 SY005019 [0,1,0,0,0,1|2,0,0]=4 372 B10R1.10 OCCC1=CC(F)=CC=C1 SY015136 [0,1,0,0,0,1|2,0,0]=4 373 B10R1.10 OCCC1=CC=CC(Br)=N1 SY037350 [0,1,0,0,0,1|2,0,0]=4 374 B10R1.10 OCCC1=CC=CC(O)=C1 SY011808 [0,1,0,0,0,1|2,0,0]=4 375 B10R1.10 OCCC1=NC=CC(Br)=C1 SY037353 [0,1,0,0,0,1|2,0,0]=4 376 B10R1.15 CCC(N)C1=CC=CN=C1 SY014378 [0,1,0,0,0,1|2,0,0]=4 377 B10R1.15 CCC(N)C1=CC=CN=C1 SY023048 [0,1,0,0,0,1|2,0,0]=4 378 B10R1.15 CCC(N)C1=CC=NC=C1 SY011556 [0,1,0,0,0,1|2,0,0]=4 379 B10R1.15 CCC(N)C1=NC=CC=C1 SY014377 [0,1,0,0,0,1|2,0,0]=4 380 B10R1.15 CCC(O)C1=CC=CC=C1 SY020321 [0,1,0,0,0,1|2,0,0]=4 381 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 SY017826 [0,1,0,0,0,1|1,0,0]=3 382 B10R1.15 C[C@H](CO)C1=CC=CC=C1 SY036226 [0,1,0,0,0,1|2,0,0]=4 383 B10R1.15 NC(CF)C1=CC=CC=C1 SY045869 [0,1,0,0,0,1|2,0,0]=4 384 B10R1.15 NC(CO)C1=CC=CC=C1 SY002083 [0,1,0,0,0,1|2,0,0]=4 385 B10R1.15 NC(CO)C1=CC=CC=N1 SY007452 [0,1,0,0,0,1|2,0,0]=4 386 B10R1.15 NC(CO)C1=CC=NC=C1 SY007453 [0,1,0,0,0,1|2,0,0]=4 387 B10R1.15 NCC(=O)C1=CC=CC=C1 SY007242 [0,1,0,0,0,1|1,0,1]=4 388 B10R1.15 NCC(O)C1=CC=CC=C1 SY042533 [0,1,0,0,0,1|1,0,0]=3 389 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 SY013940 [0,1,0,0,0,1|1,0,0]=3 390 B10R1.15 NC[C@H](O)C1=CC=CC=C1 SY009089 [0,1,0,0,0,1|1,0,0]=3 391 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 SY045870 [0,1,0,0,0,1|2,0,0]=4 392 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 SY003526 [0,1,0,0,0,1|2,0,0]=4 393 B10R1.15 N[C@H](CF)C1=CC=CC=C1 SY045868 [0,1,0,0,0,1|2,0,0]=4 394 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SY001952 [0,1,0,0,0,1|2,0,0]=4 395 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 SY017542 [0,1,0,0,0,1|2,0,0]=4 396 B10R1.15 OC[C@H](O)C1=CC=CC=C1 SY017543 [0,1,0,0,0,1|2,0,0]=4 397 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 SY101214 [0,1,0,0,0,1|2,0,0]=4 398 B10R1.17 BrCCCC1=CC=CC=C1 SY046253 [0,1,0,0,0,1|2,0,0]=4 399 B10R1.17 C1=CC=CC=C1CCC#N SY246292 [0,1,0,0,0,1|1,0,1]=4 400 B10R1.17 CCNCC1=CC=CN=C1 SY005910 [0,1,0,0,0,1|2,0,0]=4 401 B10R1.17 CCNCC1=CC=NC=C1 SY009304 [0,1,0,0,0,1|2,0,0]=4 402 B10R1.17 CCNCC1=NC=CC=C1 SY005911 [0,1,0,0,0,1|2,0,0]=4 403 B10R1.17 CNCCC1=CC=CC=C1 SY002512 [0,1,0,0,0,1|1,0,0]=3 404 B10R1.17 ClCCCC1=CC=CC=C1 SY048978 [0,1,0,0,0,1|2,0,0]=4 405 B10R1.17 ClCCOC1=CC=CC=C1 SY033599 [0,1,0,0,0,1|2,0,0]=4 406 B10R1.17 ClCOCC1=CC=CC=C1 SY003069 [0,1,0,0,0,1|2,0,0]=4 407 B10R1.17 ICCCC1=CC=CC=C1 SY249461 [0,1,0,0,0,1|2,0,0]=4 408 B10R1.17 ICCCC1=CC=CN=C1 SY250698 [0,1,0,0,0,1|2,0,0]=4 409 B10R1.17 NCCCC1=CC=CC=C1 SY049659 [0,1,0,0,0,1|1,0,0]=3 410 B10R1.17 NCCCC1=CC=CN=C1 SY022422 [0,1,0,0,0,1|1,0,0]=3 411 B10R1.17 NCCCC1=CC=NC=C1 SY022421 [0,1,0,0,0,1|1,0,0]=3 412 B10R1.17 NCCCC1=NC=CC=C1 SY022423 [0,1,0,0,0,1|1,0,0]=3 413 B10R1.17 NCCNC1=CC=CC=C1 SY009366 [0,1,0,0,0,1|1,0,0]=3 414 B10R1.17 NCCOC1=CC=CC=C1 SY004523 [0,1,0,0,0,1|1,0,0]=3 415 B10R1.17 NCCOC1=CC=CN=C1 SY027634 [0,1,0,0,0,1|1,0,0]=3 416 B10R1.17 NCCOC1=NC=CC=C1 SY020759 [0,1,0,0,0,1|1,0,0]=3 417 B10R1.17 NC\C=C\C1=CC=CC=C1 SY123671 [0,1,0,0,0,1|1,0,1]=4 418 B10R1.17 NNCCC1=CC=CC=C1 SY048081 [0,1,0,0,0,1|1,0,0]=3 419 B10R1.17 NOCCC1=CC=CC=C1 SY114401 [0,1,0,0,0,1|1,0,0]=3 420 B10R1.17 NOCCC1=CC=CC=C1 SY281546 [0,1,0,0,0,1|1,0,0]=3 421 B10R1.17 OCCCC1=CC=CC=C1 SY003672 [0,1,0,0,0,1|2,0,0]=4 422 B10R1.17 OCCCC1=CC=CN=C1 SY129435 [0,1,0,0,0,1|2,0,0]=4 423 B10R1.17 OCCCC1=CC=NC=C1 SY003677 [0,1,0,0,0,1|2,0,0]=4 424 B10R1.17 OCCCC1=NC=CC=C1 SY023125 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.18 CC(C)CC1=CC=NC=C1 SY028398 [0,1,0,0,0,1|2,0,0]=4 426 B10R1.18 CC(O)CC1=CC=CC=C1 SY051093 [0,1,0,0,0,1|2,0,0]=4 427 B10R1.18 FC(F)CC1=CC=CC=C1 SY265774 [0,1,0,0,0,1|2,0,0]=4 428 B10R1.18 NC(=O)CC1=CC=CC=C1 SY017094 [0,1,0,0,0,1|1,0,1]=4 429 B10R1.14 CC1=CC=C(C(=O)CO)S1 SY131041 [0,2,0,0,0,0|1,0,1]=4 430 B10R1.14 CC[C@@H](N)C1=CC=C(C)O1 SY245167 [0,2,0,0,0,0|1,1,0]=4 431 B10R1.14 O=C(CBr)C1=CC=C(Cl)S1 SY079930 [0,2,0,0,0,0|1,0,1]=4 432 B10R1.14 O=C(CCl)C1=CC=C(Br)S1 SY285539 [0,2,0,0,0,0|1,0,1]=4 433 B10R1.54 O=C(Cl)CC1=CC=C(Br)S1 SY261965 [0,2,0,0,0,0|1,0,1]=4 434 B10R1.54 O=C(O)CC1=CC=C(Br)S1 SY077014 [0,2,0,0,0,0|1,0,1]=4 435 B10R1.6 CC(C)(CO)C1=CC=CS1 SY233035 [0,2,0,0,0,0|1,0,0]=3 436 B10R1.6 COC(C)(C)C1=CC=CS1 SY233048 [0,2,0,0,0,0|2,0,0]=4 437 B10R1.23 NC(C(=O)O)C1=CC=CS1 SY014049 [0,2,0,0,0,0|1,0,1]=4 438 B10R1.21 CCCCCC1=CC=CS1 SY034123 [0,2,0,0,0,0|1,0,0]=3 439 B10R1.21 CCNCCN1C=CC=N1 SY024491 [0,2,0,0,0,0|2,0,0]=4 440 B10R1.27 COC(=O)CC1=CC=CS1 SY233030 [0,2,0,0,0,0|1,0,1]=4 441 B10R1.66 CN(C)CCC1=NC=CN1 SY262766 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.66 CN(C)CCN1C=CC=N1 SY263617 [0,2,0,0,0,0|2,0,0]=4 443 B10R1.66 O=C(O)CCC1=CC=CS1 SY005413 [0,2,0,0,0,0|1,0,0]=3 444 B10R1.66 O=C(O)CCC1=NC=CS1 SY019802 [0,2,0,0,0,0|2,0,0]=4 445 B10R1.187 NCCN1C(=O)C=CC1=O SY057186 [0,2,0,0,0,0|2,0,0]=4 446 B10R1.187 NCCN1C(=O)C=CC1=O SY073024 [0,2,0,0,0,0|2,0,0]=4 447 B8R1.2 NCC1=CC=CC=C1 SY020429 [0,0,1,1,0,0|1,0,1]=4 448 B10R2.6 C1=CC(C2CC2)=CC=N1 SY275036 [0,0,0,1,0,1|2,0,0]=4 449 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 SY033347 [0,0,0,1,0,1|2,0,0]=4 450 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 SY032955 [0,0,0,1,0,1|2,0,0]=4 451 B10R2.7 C1=CC2=C(C=C1)NCC2 SY012760 [0,0,0,1,0,1|1,0,0]=3 452 B10R2.7 C1=CC2=C(C=C1)OCC2 SY003884 [0,0,0,1,0,1|2,0,0]=4 453 B10R2.7 C1=CC2=C(N=C1)NCC2 SY005307 [0,0,0,1,0,1|1,0,0]=3 454 B10R2.7 C1=CN=C2CCCC2=C1 SY005163 [0,0,0,1,0,1|2,0,0]=4 455 B10R2.7 C1=CN=C2CCNC2=C1 SY253170 [0,0,0,1,0,1|1,0,0]=3 456 B10R2.7 C1=CN=C2CCOC2=C1 SY285018 [0,0,0,1,0,1|2,0,0]=4 457 B10R2.7 C1=NN=C2NCCC2=C1 SY294612 [0,0,0,1,0,1|2,0,0]=4 458 B10R2.2 ClC1=NC2=C(CCC2)S1 SY145557 [0,1,0,1,0,0|2,0,0]=4 459 B10R2.2 NC1=NC2=C(C=CS2)S1 SY211665 [0,1,0,1,0,0|1,0,1]=4 460 B10R2.2 NC1=NC2=C(CCC2)S1 SY109187 [0,1,0,1,0,0|2,0,0]=4 461 B10R2.14 BrC1=CSC(C2CC2)=N1 SY270886 [0,1,0,1,0,0|2,0,0]=4 462 B10R2.32 O=C1CCC2=C1C=CS2 SY056658 [0,1,0,1,0,0|1,0,0]=3 463 B10R2.32 O=C1CCC2=C1SC=C2 SY027678 [0,1,0,1,0,0|1,0,1]=4