0 B8R1.8 BrCCN1C=CC=N1 SY032735 [0,0,0,0,0,0|3,0,1]=4 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|2,0,1]=3 3 B8R1.8 C#CCC1=NC=CN1 SY283980 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.8 CCCC1=NC=CN1 SY021502 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.8 CCCC1=NNC=C1 SY147130 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.8 CCCN1C=CC=N1 SY023536 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.8 CCCN1C=CN=C1 SY029323 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.8 CNCC1=CC=CS1 SY002432 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.8 CNCC1=CC=CS1 SY002436 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.8 CNCC1=COC=C1 SY014265 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.8 COCC1=CN=CN1 SY159476 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.8 ClCCC1=CNC=N1 SY019470 [0,0,0,0,0,0|1,0,2]=3 13 B8R1.8 ClCCC1=CNN=C1 SY040390 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.8 ClCCC1=NN=NN1 SY031270 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.8 N#CCC1=CC=CN1 SY017222 [0,0,0,0,0,0|1,0,2]=3 16 B8R1.8 N#CCC1=CC=NO1 SY233661 [0,0,0,0,0,0|2,0,2]=4 17 B8R1.8 N#CCC1=CN=CO1 SY232342 [0,0,0,0,0,0|1,0,2]=3 18 B8R1.8 N#CCC1=CNC=N1 SY041793 [0,0,0,0,0,0|0,0,4]=4 19 B8R1.8 N#CCN1C=CN=C1 SY008199 [0,0,0,0,0,0|2,0,2]=4 20 B8R1.8 N#CCN1C=NC=N1 SY017401 [0,0,0,0,0,0|1,0,3]=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|2,0,0]=2 24 B8R1.8 NCCC1=CC=CS1 SY004316 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.8 NCCC1=CNC=N1 SY012860 [0,0,0,0,0,0|0,0,2]=2 26 B8R1.8 NCCC1=CNC=N1 SY041787 [0,0,0,0,0,0|0,0,2]=2 27 B8R1.8 NCCC1=CNN=C1 SY039272 [0,0,0,0,0,0|2,0,0]=2 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|2,0,0]=2 32 B8R1.8 NCCC1=NN=NN1 SY021057 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.8 NCCC1=NNC=C1 SY021017 [0,0,0,0,0,0|2,0,1]=3 34 B8R1.8 NCCC1=NNC=C1 SY040011 [0,0,0,0,0,0|2,0,1]=3 35 B8R1.8 NCCN1C=CC=N1 SY014106 [0,0,0,0,0,0|2,0,1]=3 36 B8R1.8 NCCN1C=CN=C1 SY014254 [0,0,0,0,0,0|2,0,0]=2 37 B8R1.8 NCCN1C=CN=C1 SY079565 [0,0,0,0,0,0|2,0,0]=2 38 B8R1.8 NCCN1C=CN=C1 SY110715 [0,0,0,0,0,0|2,0,0]=2 39 B8R1.8 NCCN1C=NC=N1 SY008838 [0,0,0,0,0,0|1,0,1]=2 40 B8R1.8 NCCN1C=NN=C1 SY022380 [0,0,0,0,0,0|3,0,0]=3 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|3,0,0]=3 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|3,0,1]=4 47 B8R1.8 OCCN1C=CN=C1 SY007581 [0,0,0,0,0,0|3,0,0]=3 48 B8R1.8 OCCN1C=NC=N1 SY078705 [0,0,0,0,0,0|2,0,1]=3 49 B8R1.8 OCCN1C=NN=C1 SY022378 [0,0,0,0,0,0|4,0,0]=4 50 B7R1.1 BrCC1=CSC=C1 SY021673 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.1 BrCC1=NC=CN1 SY024828 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.1 C#CC1=CC=CN1 SY281703 [1,0,0,0,0,0|1,0,2]=4 53 B7R1.1 CCC1=CC=CS1 SY048489 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.1 CCC1=CNC=N1 SY055411 [1,0,0,0,0,0|0,0,2]=3 55 B7R1.1 CCC1=CSC=C1 SY036406 [1,0,0,0,0,0|2,0,0]=3 56 B7R1.1 CCN1C=CC=N1 SY014479 [1,0,0,0,0,0|2,0,1]=4 57 B7R1.1 COC1=CNN=C1 SY100279 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.1 CSC1=NC=CN1 SY025774 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.1 ClCC1=CN=CO1 SY232319 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.1 N#CC1=CC=CN1 SY012801 [1,0,0,0,0,0|1,0,2]=4 61 B7R1.1 N#CC1=CN=CS1 SY043007 [1,0,0,0,0,0|1,0,2]=4 62 B7R1.1 NCC1=CC=CN1 SY032090 [1,0,0,0,0,0|1,0,0]=2 63 B7R1.1 NCC1=CC=NO1 SY021529 [1,0,0,0,0,0|2,0,0]=3 64 B7R1.1 NCC1=CNC=N1 SY018114 [1,0,0,0,0,0|0,0,2]=3 65 B7R1.1 NCC1=CNN=C1 SY042195 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.1 NCC1=CNN=N1 SY192945 [1,0,0,0,0,0|1,0,2]=4 67 B7R1.1 NCC1=COC=C1 SY002989 [1,0,0,0,0,0|2,0,0]=3 68 B7R1.1 NCC1=COC=N1 SY026493 [1,0,0,0,0,0|1,0,1]=3 69 B7R1.1 NCC1=COC=N1 SY043130 [1,0,0,0,0,0|1,0,1]=3 70 B7R1.1 NCC1=CON=C1 SY211967 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.1 NCC1=CSC=C1 SY006774 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.1 NCC1=CSC=C1 SY018599 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.1 NCC1=CSC=N1 SY021530 [1,0,0,0,0,0|1,0,1]=3 74 B7R1.1 NCC1=CSC=N1 SY023202 [1,0,0,0,0,0|1,0,1]=3 75 B7R1.1 NCC1=NC=CN1 SY025359 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.1 NCC1=NC=CO1 SY026394 [1,0,0,0,0,0|2,0,1]=4 77 B7R1.1 NCC1=NC=CS1 SY005679 [1,0,0,0,0,0|2,0,1]=4 78 B7R1.1 NCC1=NC=CS1 SY005981 [1,0,0,0,0,0|2,0,1]=4 79 B7R1.1 NCC1=NN=NN1 SY021958 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.1 NCC1=NNC=C1 SY005508 [1,0,0,0,0,0|2,0,1]=4 81 B7R1.1 NCC1=NNC=N1 SY035453 [1,0,0,0,0,0|1,0,2]=4 82 B7R1.1 NCC1=NNN=N1 SY024525 [1,0,0,0,0,0|2,0,1]=4 83 B7R1.1 NCC1=NOC=C1 SY024118 [1,0,0,0,0,0|2,0,1]=4 84 B7R1.1 NCC1=NOC=C1 SY034799 [1,0,0,0,0,0|2,0,1]=4 85 B7R1.1 O=CC1=CC=CN1 SY001497 [1,0,0,0,0,0|2,0,1]=4 86 B7R1.1 O=CC1=CN=CO1 SY025934 [1,0,0,0,0,0|2,0,1]=4 87 B7R1.1 O=CC1=CN=CS1 SY005766 [1,0,0,0,0,0|2,0,1]=4 88 B7R1.1 OCC1=CC=CS1 SY036796 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.1 OCC1=CC=NO1 SY179337 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.1 OCC1=CN=CO1 SY025391 [1,0,0,0,0,0|2,0,0]=3 91 B7R1.1 OCC1=CN=CS1 SY002035 [1,0,0,0,0,0|2,0,0]=3 92 B7R1.1 OCC1=CNC=N1 SY003265 [1,0,0,0,0,0|1,0,2]=4 93 B7R1.1 OCC1=CNN=C1 SY042536 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.1 OCC1=COC=C1 SY033055 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.1 OCC1=COC=N1 SY012558 [1,0,0,0,0,0|2,0,1]=4 96 B7R1.1 OCC1=CSC=C1 SY017648 [1,0,0,0,0,0|3,0,0]=4 97 B7R1.1 OCC1=NC=CN1 SY041704 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.7 CC1=CC=C(CCN)S1 SY024090 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.7 CC1=CC=C(CCN)S1 SY024091 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.7 CC1=NC(CCO)=CS1 SY023469 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.7 CCCC1=CC(N)=NN1 SY014078 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.7 CN1C=C(CCN)C=N1 SY039274 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.7 NC1=NC=C(CCO)S1 SY026958 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.7 NCCC1=CC(Br)=CS1 SY059871 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.7 NCCC1=CC=C(Br)S1 SY058795 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.11 CC(CN)C1=CN=CS1 SY271543 [0,1,0,0,0,0|1,0,0]=2 107 B9R1.11 NCC(=O)C1=CSC=C1 SY269123 [0,1,0,0,0,0|2,0,1]=4 108 B9R1.12 BrCCCN1C=NC=N1 SY040500 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.12 CCCCC1=NC=CN1 SY032916 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.12 CCNCC1=CC=CS1 SY002526 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.12 ClCCCN1C=CN=C1 SY029764 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.12 ICCCC1=CC=CS1 SY249459 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.12 NCCCC1=CC=CS1 SY035928 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.12 NCCCN1C=NN=C1 SY022469 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.12 OCCCC1=CC=CS1 SY003289 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.12 OCCCC1=CSC=C1 SY026504 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.13 CC(N)CC1=CSC=N1 SY271542 [0,1,0,0,0,0|1,0,1]=3 118 B9R1.13 CC(O)CC1=CC=CO1 SY021784 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.13 CN(C)CC1=CC=CN1 SY017221 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.13 O=C(O)CC1=CC=CN1 SY010732 [0,1,0,0,0,0|2,0,1]=4 121 B9R1.13 O=C(O)CC1=CN=CO1 SY129690 [0,1,0,0,0,0|2,0,1]=4 122 B9R1.33 CC1=C(CC#N)OC=N1 SY233046 [0,1,0,0,0,0|1,0,2]=4 123 B9R1.33 CC1=NC=CN1CCN SY033876 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.33 CN1C=NC=C1N=C=O SY296830 [0,1,0,0,0,0|2,0,1]=4 125 B9R1.33 OCCN1NN=NC1=S SY109999 [0,1,0,0,0,0|3,0,0]=4 126 B9R2.2 C1=CN(C2CC2)C=N1 SY029758 [0,0,0,1,0,0|3,0,0]=4 127 B9R2.2 C1=CNC(C2CC2)=N1 SY014881 [0,0,0,1,0,0|3,0,0]=4 128 B9R2.2 C1=NC(C2CC2)=CS1 SY023291 [0,0,0,1,0,0|2,0,1]=4 129 B9R2.2 C1=NC=C(C2CC2)N1 SY059794 [0,0,0,1,0,0|1,0,0]=2 130 B9R2.2 C1=NNC(C2CC2)=C1 SY004983 [0,0,0,1,0,0|3,0,0]=4 131 B9R2.3 C1=CN2CCCC2=N1 SY040307 [0,0,0,1,0,0|3,0,0]=4 132 B9R2.3 C1=NC2=C(CNC2)S1 SY018654 [0,0,0,1,0,0|3,0,0]=4 133 B9R2.3 C1=NC2=C(CNC2)S1 SY023812 [0,0,0,1,0,0|3,0,0]=4 134 B9R2.3 C1CN2CCNC2=N1 SY038762 [0,0,0,1,0,0|2,0,1]=4 135 B9R1.8 BrCCC1=NC=CC=C1 SY004999 [0,0,0,0,0,1|2,0,1]=4 136 B9R1.8 CCCC1=CC=CCC1 SY292099 [0,0,0,0,0,1|3,0,0]=4 137 B9R1.8 CCCC1=NC=CC=C1 SY035538 [0,0,0,0,0,1|2,0,1]=4 138 B9R1.8 CNCC1=CC=CN=C1 SY002368 [0,0,0,0,0,1|3,0,0]=4 139 B9R1.8 CNCC1=CC=NC=C1 SY002386 [0,0,0,0,0,1|3,0,0]=4 140 B9R1.8 N#CCC1=CC=NC=C1 SY012818 [0,0,0,0,0,1|1,0,2]=4 141 B9R1.8 NCCC1=CC=CN=C1 SY003234 [0,0,0,0,0,1|1,0,0]=2 142 B9R1.8 NNCC1=CC=CC=C1 SY004756 [0,0,0,0,0,1|3,0,0]=4 143 B9R1.8 NNCC1=CC=CC=C1 SY004764 [0,0,0,0,0,1|3,0,0]=4 144 B9R1.8 NNCC1=NC=CC=C1 SY042125 [0,0,0,0,0,1|2,0,1]=4 145 B9R1.8 NOCC1=CC=CC=C1 SY005671 [0,0,0,0,0,1|3,0,0]=4 146 B9R1.8 NOCC1=CC=CC=C1 SY018100 [0,0,0,0,0,1|3,0,0]=4 147 B9R1.8 NOCC1=CC=CN=C1 SY029692 [0,0,0,0,0,1|2,0,0]=3 148 B9R1.8 NOCC1=CC=CN=C1 SY281597 [0,0,0,0,0,1|2,0,0]=3 149 B9R1.8 NOCC1=CC=NC=C1 SY281602 [0,0,0,0,0,1|2,0,0]=3 150 B9R1.8 NOCC1=CC=NC=C1 SY281603 [0,0,0,0,0,1|2,0,0]=3 151 B9R1.8 NOCC1=NC=CC=C1 SY281576 [0,0,0,0,0,1|2,0,1]=4 152 B9R1.8 NOCC1=NC=CC=C1 SY281577 [0,0,0,0,0,1|2,0,1]=4 153 B9R1.8 OCCC1=CC=CN=C1 SY004170 [0,0,0,0,0,1|2,0,0]=3 154 B9R1.8 OCCC1=CC=NC=C1 SY001138 [0,0,0,0,0,1|2,0,0]=3 155 B9R1.8 OCCC1=NC=CN=C1 SY025413 [0,0,0,0,0,1|1,0,1]=3 156 B9R1.8 SCCC1=CC=CC=C1 SY039368 [0,0,0,0,0,1|3,0,0]=4 157 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 SY263029 [0,0,0,0,0,1|3,0,0]=4 158 B6R1.2 BrC1=CN=CS1 SY005152 [2,0,0,0,0,0|2,0,0]=4 159 B6R1.2 CC1=CC=CN1 SY004787 [2,0,0,0,0,0|1,0,0]=3 160 B6R1.2 CC1=CC=NO1 SY038700 [2,0,0,0,0,0|2,0,0]=4 161 B6R1.2 CC1=CNC=C1 SY014135 [2,0,0,0,0,0|1,0,1]=4 162 B6R1.2 CC1=CNN=C1 SY006499 [2,0,0,0,0,0|2,0,0]=4 163 B6R1.2 CC1=COC=N1 SY046619 [2,0,0,0,0,0|1,0,1]=4 164 B6R1.2 CC1=CSC=N1 SY004152 [2,0,0,0,0,0|1,0,1]=4 165 B6R1.2 CC1=NN=NN1 SY031544 [2,0,0,0,0,0|2,0,0]=4 166 B6R1.2 CN1C=NC=N1 SY046529 [2,0,0,0,0,0|1,0,1]=4 167 B6R1.2 ClC1=CN=CN1 SY056650 [2,0,0,0,0,0|1,0,0]=3 168 B6R1.2 NC1=CN=CS1 SY069459 [2,0,0,0,0,0|1,0,0]=3 169 B6R1.2 NC1=CNN=C1 SY006645 [2,0,0,0,0,0|2,0,0]=4 170 B6R1.2 NC1=COC=C1 SY237155 [2,0,0,0,0,0|2,0,0]=4 171 B6R1.2 NC1=CON=C1 SY041839 [2,0,0,0,0,0|2,0,0]=4 172 B6R1.2 NC1=CSC=C1 SY003022 [2,0,0,0,0,0|2,0,0]=4 173 B6R1.2 NC1=CSC=C1 SY098699 [2,0,0,0,0,0|2,0,0]=4 174 B6R1.2 NC1=CSC=N1 SY017948 [2,0,0,0,0,0|1,0,1]=4 175 B6R1.2 NC1=CSN=C1 SY241022 [2,0,0,0,0,0|2,0,0]=4 176 B6R1.2 NC1=NC=CN1 SY007805 [2,0,0,0,0,0|2,0,0]=4 177 B6R1.2 NC1=NC=NS1 SY010738 [2,0,0,0,0,0|1,0,1]=4 178 B6R1.2 NC1=NC=NS1 SY021614 [2,0,0,0,0,0|1,0,1]=4 179 B6R1.2 NC1=NN=CO1 SY022770 [2,0,0,0,0,0|2,0,0]=4 180 B6R1.2 [S-]C1=CN=NN1 SY026376 [2,0,0,0,0,0|2,0,0]=4 181 B8R1.1 CC1=CC=C(CN)S1 SY031087 [1,1,0,0,0,0|2,0,0]=4 182 B8R1.1 CC1=CNC(CN)=N1 SY025135 [1,1,0,0,0,0|2,0,0]=4 183 B8R1.1 CC1=NN=C(CN)S1 SY245683 [1,1,0,0,0,0|2,0,0]=4 184 B8R1.1 CC1=NNC(CN)=C1 SY038660 [1,1,0,0,0,0|2,0,0]=4 185 B8R1.1 CC1=NNC(CN)=C1 SY040860 [1,1,0,0,0,0|2,0,0]=4 186 B8R1.1 CCC1=CC(N)=NN1 SY008703 [1,1,0,0,0,0|2,0,0]=4 187 B8R1.1 CCC1=CC(O)=NO1 SY248522 [1,1,0,0,0,0|2,0,0]=4 188 B8R1.1 CCC1=CCC(C)=C1 SY308291 [1,1,0,0,0,0|2,0,0]=4 189 B8R1.1 CCC1=CN=C(N)S1 SY106256 [1,1,0,0,0,0|1,0,0]=3 190 B8R1.1 CCC1=NC(C)=CN1 SY036797 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.1 CN1C=C(CN)C=N1 SY035452 [1,1,0,0,0,0|2,0,0]=4 192 B8R1.1 CN1C=NC(CN)=C1 SY035068 [1,1,0,0,0,0|0,0,2]=4 193 B8R1.1 ClC1=NC=C(CBr)S1 SY222476 [1,1,0,0,0,0|2,0,0]=4 194 B8R1.1 ClC1=NC=C(CI)S1 SY251089 [1,1,0,0,0,0|2,0,0]=4 195 B8R1.1 NCC1=CC=C(Br)O1 SY019914 [1,1,0,0,0,0|2,0,0]=4 196 B8R1.1 NCC1=CC=C(Br)S1 SY019897 [1,1,0,0,0,0|2,0,0]=4 197 B8R1.1 NCC1=CC=C(F)S1 SY098666 [1,1,0,0,0,0|2,0,0]=4 198 B8R1.1 NCC1=CN=C(Cl)S1 SY031011 [1,1,0,0,0,0|1,0,0]=3 199 B8R1.1 O=CC1=CN=C(Br)N1 SY023138 [1,1,0,0,0,0|1,0,1]=4 200 B8R1.1 OCC1=CN=C(Br)S1 SY040567 [1,1,0,0,0,0|2,0,0]=4 201 B8R1.7 CC(=O)C1=CC=CN1 SY011279 [1,1,0,0,0,0|1,0,1]=4 202 B8R1.7 CC(=O)C1=CN=CN1 SY042637 [1,1,0,0,0,0|0,0,1]=3 203 B8R1.7 CC(C)C1=CNC=N1 SY037472 [1,1,0,0,0,0|0,0,2]=4 204 B8R1.7 CC(C)C1=CNN=C1 SY278608 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.7 CC(C)N1C=CN=C1 SY015614 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.7 C[C@@H](N)C1=CC=CS1 SY193850 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.7 C[C@@H](N)C1=CNC=N1 SY307692 [1,1,0,0,0,0|0,0,2]=4 208 B8R1.7 C[C@H](N)C1=CNC=N1 SY307691 [1,1,0,0,0,0|0,0,2]=4 209 B8R1.7 FC(F)C1=CN=CS1 SY265771 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.11 CC1=C(C=O)NC=N1 SY017270 [1,1,0,0,0,0|1,0,1]=4 211 B8R1.11 CC1=C(CCl)OC=N1 SY233036 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.11 CC1=C(CN)C=NO1 SY035076 [1,1,0,0,0,0|2,0,0]=4 213 B8R1.11 CC1=C(CO)NC=N1 SY007668 [1,1,0,0,0,0|1,0,0]=3 214 B8R1.11 CC1=NON=C1CN SY109552 [1,1,0,0,0,0|1,0,1]=4 215 B8R1.11 CCC1=CN=CN1C SY268701 [1,1,0,0,0,0|0,0,0]=2 216 B8R1.11 CCC1=CNN=C1C SY263511 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.11 CN1C=CN=C1CN SY020883 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.11 CN1C=NC=C1C=O SY017852 [1,1,0,0,0,0|1,0,1]=4 219 B8R1.11 CN1C=NC=C1CN SY004189 [1,1,0,0,0,0|0,0,0]=2 220 B8R1.11 CN1C=NN=C1CO SY043008 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.11 CN1N=CC=C1CN SY023427 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.11 CN1N=CC=C1CN SY035234 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.1 NCCC1=CC=C(Br)C=C1 SY004635 [0,1,0,0,0,1|2,0,0]=4 224 B10R1.1 NCCC1=CC=C(Cl)C=C1 SY006689 [0,1,0,0,0,1|2,0,0]=4 225 B10R1.1 NCCC1=CC=C(F)C=C1 SY279169 [0,1,0,0,0,1|2,0,0]=4 226 B10R1.1 NCCC1=CC=C(N)C=C1 SY002473 [0,1,0,0,0,1|2,0,0]=4 227 B10R1.1 NCCC1=CC=C(O)C=C1 SY002127 [0,1,0,0,0,1|2,0,0]=4 228 B10R1.1 NCCC1=CC=C(O)C=C1 SY057039 [0,1,0,0,0,1|2,0,0]=4 229 B10R1.1 OCCC1=CC=C(Br)N=C1 SY253046 [0,1,0,0,0,1|2,0,0]=4 230 B10R1.1 OCCC1=CC=C(Cl)N=C1 SY035951 [0,1,0,0,0,1|2,0,0]=4 231 B10R1.1 OCCC1=CC=C(F)N=C1 SY262258 [0,1,0,0,0,1|2,0,0]=4 232 B10R1.4 NCCC1=CC=CC=C1N SY104426 [0,1,0,0,0,1|2,0,0]=4 233 B10R1.4 NCCC1=CC=CC=C1O SY040467 [0,1,0,0,0,1|2,0,0]=4 234 B10R1.4 NOCC1=C(Br)C=NC=C1 SY281604 [0,1,0,0,0,1|2,0,0]=4 235 B10R1.4 NOCC1=C(Br)C=NC=C1 SY281605 [0,1,0,0,0,1|2,0,0]=4 236 B10R1.4 NOCC1=C(F)C=NC=C1 SY281606 [0,1,0,0,0,1|2,0,0]=4 237 B10R1.4 NOCC1=C(F)C=NC=C1 SY281607 [0,1,0,0,0,1|2,0,0]=4 238 B10R1.4 OCCC1=NC=CN=C1Cl SY247692 [0,1,0,0,0,1|1,0,1]=4 239 B10R1.10 NC1=CC(CCO)=NC=N1 SY248870 [0,1,0,0,0,1|1,0,1]=4 240 B10R1.10 NCCC1=CC=CC(Cl)=C1 SY011429 [0,1,0,0,0,1|2,0,0]=4 241 B10R1.10 NCCC1=CC=CC(O)=C1 SY005806 [0,1,0,0,0,1|2,0,0]=4 242 B10R1.10 NOCC1=CC(Br)=CN=C1 SY281624 [0,1,0,0,0,1|2,0,0]=4 243 B10R1.10 NOCC1=CC(Br)=CN=C1 SY281625 [0,1,0,0,0,1|2,0,0]=4 244 B10R1.15 CCC(N)C1=CC=CN=C1 SY014378 [0,1,0,0,0,1|2,0,0]=4 245 B10R1.15 CCC(N)C1=CC=CN=C1 SY023048 [0,1,0,0,0,1|2,0,0]=4 246 B10R1.15 CCC(N)C1=CC=NC=C1 SY011556 [0,1,0,0,0,1|2,0,0]=4 247 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 SY017826 [0,1,0,0,0,1|2,0,0]=4 248 B10R1.15 NC(CO)C1=CC=NC=C1 SY007453 [0,1,0,0,0,1|2,0,0]=4 249 B10R1.15 NCC(O)C1=CC=CC=C1 SY042533 [0,1,0,0,0,1|2,0,0]=4 250 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 SY013940 [0,1,0,0,0,1|2,0,0]=4 251 B10R1.15 NC[C@H](O)C1=CC=CC=C1 SY009089 [0,1,0,0,0,1|2,0,0]=4 252 B10R1.17 CCNCC1=CC=CN=C1 SY005910 [0,1,0,0,0,1|2,0,0]=4 253 B10R1.17 CCNCC1=CC=NC=C1 SY009304 [0,1,0,0,0,1|2,0,0]=4 254 B10R1.17 CNCCC1=CC=CC=C1 SY002512 [0,1,0,0,0,1|2,0,0]=4 255 B10R1.17 ICCCC1=CC=CN=C1 SY250698 [0,1,0,0,0,1|2,0,0]=4 256 B10R1.17 NCCCC1=CC=CC=C1 SY049659 [0,1,0,0,0,1|2,0,0]=4 257 B10R1.17 NCCCC1=CC=CN=C1 SY022422 [0,1,0,0,0,1|1,0,0]=3 258 B10R1.17 NCCCC1=CC=NC=C1 SY022421 [0,1,0,0,0,1|1,0,0]=3 259 B10R1.17 NCCCC1=NC=CC=C1 SY022423 [0,1,0,0,0,1|1,0,1]=4 260 B10R1.17 NCCNC1=CC=CC=C1 SY009366 [0,1,0,0,0,1|2,0,0]=4 261 B10R1.17 NCCOC1=CC=CC=C1 SY004523 [0,1,0,0,0,1|2,0,0]=4 262 B10R1.17 NCCOC1=CC=CN=C1 SY027634 [0,1,0,0,0,1|1,0,0]=3 263 B10R1.17 NCCOC1=NC=CC=C1 SY020759 [0,1,0,0,0,1|1,0,1]=4 264 B10R1.17 NNCCC1=CC=CC=C1 SY048081 [0,1,0,0,0,1|2,0,0]=4 265 B10R1.17 NOCCC1=CC=CC=C1 SY114401 [0,1,0,0,0,1|2,0,0]=4 266 B10R1.17 NOCCC1=CC=CC=C1 SY281546 [0,1,0,0,0,1|2,0,0]=4 267 B10R1.17 OCCCC1=CC=CN=C1 SY129435 [0,1,0,0,0,1|2,0,0]=4 268 B10R1.17 OCCCC1=CC=NC=C1 SY003677 [0,1,0,0,0,1|2,0,0]=4 269 B10R1.18 CC(C)CC1=CC=NC=C1 SY028398 [0,1,0,0,0,1|2,0,0]=4 270 B10R1.96 CCC1=NN=C(CCN)O1 SY039431 [0,2,0,0,0,0|2,0,0]=4 271 B10R1.21 CCNCCN1C=CN=C1 SY024490 [0,2,0,0,0,0|2,0,0]=4 272 B10R1.66 CN(C)CCC1=NC=CN1 SY262766 [0,2,0,0,0,0|2,0,0]=4 273 B10R1.66 NC(=O)CCN1C=CN=C1 SY084458 [0,2,0,0,0,0|2,0,0]=4 274 B8R1.2 NCC1=CN=CN=C1 SY104794 [0,0,1,1,0,0|0,0,2]=4 275 B8R1.2 NCC1=NC=NC=C1 SY041990 [0,0,1,1,0,0|0,0,2]=4 276 B8R1.5 NC1=C(N)N=CC=N1 SY020176 [0,0,1,1,0,0|1,0,1]=4 277 B8R1.4 NC1=CN=CC(N)=C1 SY009704 [0,0,1,1,0,0|0,0,2]=4 278 B8R1.4 NC1=CN=CC(N)=N1 SY015544 [0,0,1,1,0,0|1,0,1]=4 279 B8R1.4 O=C1CCNC(=O)N1 SY027535 [0,0,1,1,0,0|2,0,0]=4 280 B10R2.6 C1=CC(C2CC2)=CC=N1 SY275036 [0,0,0,1,0,1|2,0,0]=4 281 B10R2.7 C1=CC2=C(C=C1)NCC2 SY012760 [0,0,0,1,0,1|2,0,0]=4 282 B10R2.7 C1=CC2=C(N=C1)NCC2 SY005307 [0,0,0,1,0,1|1,0,0]=3 283 B10R2.7 C1=CN=C2CCCC2=C1 SY005163 [0,0,0,1,0,1|2,0,0]=4 284 B10R2.7 C1=CN=C2CCNC2=C1 SY253170 [0,0,0,1,0,1|1,0,1]=4 285 B10R2.7 C1=NN=C2NCCC2=C1 SY294612 [0,0,0,1,0,1|1,0,0]=3 286 B10R2.2 ClC1=NC2=C(CCC2)S1 SY145557 [0,1,0,1,0,0|2,0,0]=4 287 B10R2.2 NC1=NC2=C(CCC2)S1 SY109187 [0,1,0,1,0,0|2,0,0]=4 288 B10R2.32 OC1CCN2C=NC=C12 SY298406 [0,1,0,1,0,0|1,0,0]=3 289 B10R2.136 C1=CN(C2CNC2)C=N1 SY045523 [0,1,0,1,0,0|2,0,0]=4