0 B8R0.4 CCCCCCCC=O 349298 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.4 CCCCCCOC=O 102668 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.4 CCCCC\C=C\C=O 103998 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.4 CCCC\C=C/CCO 106319 [0,0,0,0,0,0|0,0,4]=4 4 B7R0.1 C=CCCCCCC 200048 [1,0,0,0,0,0|0,0,3]=4 5 B7R0.1 CCCCCCC=O 520883 [1,0,0,0,0,0|0,0,3]=4 6 B7R0.1 CCCC\C=C\C=O 240980 [1,0,0,0,0,0|0,0,1]=2 7 B7R0.1 CC\C=C\C=C\C=O 242611 [1,0,0,0,0,0|0,0,0]=1 8 B9R0.45 CCCCCC\C=C\C=O 106390 [0,1,0,0,0,0|0,0,2]=3 9 B9R0.45 CCCC\C=C\C=C\C=O 106729 [0,1,0,0,0,0|0,0,0]=1 10 B9R1.8 BrCCC1=CC=CC=C1 019261 [0,0,0,1,0,0|2,0,0]=3 11 B9R1.8 C#CCC1=CC=CC=C1 080054 [0,0,0,1,0,0|1,0,2]=4 12 B9R1.8 C=CCC1=CC=CC=C1 005425 [0,0,0,1,0,0|1,0,2]=4 13 B9R1.8 CC#CC1=CC=CC=C1 166000 [0,0,0,1,0,0|1,0,2]=4 14 B9R1.8 CCCC1=CC=CC=C1 095067 [0,0,0,1,0,0|1,0,0]=2 15 B9R1.8 CCCC1=CC=NC=C1 235894 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.8 CCCC1=NC=CC=C1 242850 [0,0,0,1,0,0|1,0,0]=2 17 B9R1.8 CCCC1=NC=CN=C1 002735 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.8 CCNC1=CC=CC=C1 216665 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.8 CCOC1=CC=CC=C1 098890 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.8 CCOC1=NC=CC=C1 049694 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.8 CCSC1=CC=CC=C1 001759 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.8 CCSC1=NC=CC=C1 095363 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.8 CNCC1=CC=CC=C1 020695 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.8 CNCC1=CC=NC=C1 046176 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.8 CSCC1=CC=CC=C1 099640 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.8 C\C=C/C1=CC=CC=C1 167700 [0,0,0,1,0,0|1,0,2]=4 27 B9R1.8 C\C=C\C1=CC=CC=C1 018868 [0,0,0,1,0,0|1,0,2]=4 28 B9R1.8 C\N=C\C1=CC=CC=C1 240625 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.8 ClCCC1=CC=CC=C1 208883 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.8 ClCCC1=CC=CC=N1 070463 [0,0,0,1,0,0|2,0,0]=3 31 B9R1.8 Cl[Mg]CC1=CC=CC=C1 103558 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.8 ICCC1=CC=CC=C1 001087 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.8 N#CCC1=NC=CC=C1 047908 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.8 NCCC1=CC=CC=C1 046873 [0,0,0,1,0,0|2,0,0]=3 35 B9R1.8 NCCC1=CC=CN=C1 010689 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.8 NCCC1=CC=CN=C1 033239 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.8 NCCC1=CC=CN=C1 065473 [0,0,0,1,0,0|3,0,0]=4 38 B9R1.8 NCCC1=CC=NC=C1 010690 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.8 NCCC1=NC=CC=C1 013702 [0,0,0,1,0,0|2,0,0]=3 40 B9R1.8 NNCC1=CC=CC=C1 036859 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.8 NOCC1=CC=CC=C1 036957 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.8 O=CCC1=CC=CC=C1 098878 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.8 OCCC1=CC=CC=C1 222397 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.8 OCCC1=CC=CN=C1 017523 [0,0,0,1,0,0|3,0,0]=4 45 B9R1.8 OCCC1=CC=NC=C1 228335 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.8 OCCC1=NC=CC=C1 223718 [0,0,0,1,0,0|2,0,0]=3 47 B9R1.8 ONCC1=CC=CC=C1 091512 [0,0,0,1,0,0|3,0,0]=4 48 B9R1.8 ONCC1=CC=CC=C1 238633 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.15 BrCC1=C(Br)C=CC=C1 001366 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.15 BrCC1=C(I)C=CC=C1 044924 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.15 C(=O)C1=C(C)C=CC=C1 001389 [0,0,0,1,0,0|0,0,2]=3 52 B9R1.15 CC1=C(N=O)C=CC=C1 099261 [0,0,0,1,0,0|1,0,2]=4 53 B9R1.15 CC1=CC=CC=C1CBr 227715 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.15 CC1=CC=CC=C1CN 227781 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.15 CCC1=C(Br)C=CC=C1 018276 [0,0,0,1,0,0|1,0,1]=3 56 B9R1.15 CCC1=C(Cl)C=CC=C1 018372 [0,0,0,1,0,0|1,0,1]=3 57 B9R1.15 CCC1=C(I)C=CC=C1 001197 [0,0,0,1,0,0|1,0,1]=3 58 B9R1.15 CCC1=C(N)C=CC=C1 043275 [0,0,0,1,0,0|1,0,1]=3 59 B9R1.15 CCC1=C(S)C=CC=C1 001289 [0,0,0,1,0,0|0,1,1]=3 60 B9R1.15 CCC1=CC=CC=C1O 240992 [0,0,0,1,0,0|0,0,2]=3 61 B9R1.15 CCC1=CC=NC=C1C 188677 [0,0,0,1,0,0|2,0,1]=4 62 B9R1.15 CCC1=[N+]([O-])C=CC=C1 032650 [0,0,0,1,0,0|1,0,2]=4 63 B9R1.15 CC[N+]1=C(Br)C=CC=C1 008541 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.15 CNC1=C(Cl)C=CC=C1 009648 [0,0,0,1,0,0|2,0,1]=4 65 B9R1.15 CNC1=C(F)C=CC=C1 019280 [0,0,0,1,0,0|2,0,1]=4 66 B9R1.15 CNC1=CC=CC=C1N 078664 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.15 CNC1=CC=CC=C1N 220032 [0,0,0,1,0,0|2,0,1]=4 68 B9R1.15 COC1=C(Br)C=CC=C1 002965 [0,0,0,1,0,0|2,0,1]=4 69 B9R1.15 COC1=C(F)C=CC=C1 002694 [0,0,0,1,0,0|2,0,1]=4 70 B9R1.15 COC1=C(I)C=CC=C1 001302 [0,0,0,1,0,0|2,0,1]=4 71 B9R1.15 COC1=C(N)C=CC=C1 043317 [0,0,0,1,0,0|2,0,1]=4 72 B9R1.15 COC1=C(S)C=CC=C1 003589 [0,0,0,1,0,0|1,1,1]=4 73 B9R1.15 COC1=CC=CC=C1C 242932 [0,0,0,1,0,0|2,0,1]=4 74 B9R1.15 COC1=CC=CC=C1O 241127 [0,0,0,1,0,0|1,0,2]=4 75 B9R1.15 CSC1=C(Br)C=CC=C1 001732 [0,0,0,1,0,0|2,0,1]=4 76 B9R1.15 CSC1=C(Cl)C=CC=C1 003552 [0,0,0,1,0,0|2,0,1]=4 77 B9R1.15 CSC1=C(F)C=CC=C1 019279 [0,0,0,1,0,0|2,0,1]=4 78 B9R1.15 CSC1=C(I)C=CC=C1 003738 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.15 CSC1=C(N)C=CC=C1 002979 [0,0,0,1,0,0|2,0,1]=4 80 B9R1.15 CSC1=C(O)C=CC=C1 001770 [0,0,0,1,0,0|1,0,2]=4 81 B9R1.15 ClC1=C(CBr)C=CC=C1 001008 [0,0,0,1,0,0|2,0,1]=4 82 B9R1.15 ClCC1=CC=CC=C1Cl 088365 [0,0,0,1,0,0|2,0,1]=4 83 B9R1.15 FC1=C(CBr)C=CC=C1 006200 [0,0,0,1,0,0|2,0,1]=4 84 B9R1.15 FC1=C(CCl)C=CC=C1 001422 [0,0,0,1,0,0|2,0,1]=4 85 B9R1.15 FC1=C(CS)C=CC=C1 024341 [0,0,0,1,0,0|2,0,1]=4 86 B9R1.15 NC1=CC=CC=C1CO 036679 [0,0,0,1,0,0|2,0,1]=4 87 B9R1.15 NC1=NC=CC=C1C=O 023408 [0,0,0,1,0,0|2,0,1]=4 88 B9R1.15 NCC1=C(Cl)C=CC=C1 008868 [0,0,0,1,0,0|2,0,1]=4 89 B9R1.15 NCC1=C(F)C=CC=C1 006197 [0,0,0,1,0,0|2,0,1]=4 90 B9R1.15 NCC1=C(O)C=CC=C1 023454 [0,0,0,1,0,0|1,0,2]=4 91 B9R1.15 NCC1=CC=CC=C1Br 065390 [0,0,0,1,0,0|2,0,1]=4 92 B9R1.15 NCC1=CC=CC=C1N 076007 [0,0,0,1,0,0|2,0,1]=4 93 B9R1.15 O=CC1=C(Br)C=CC=C1 109700 [0,0,0,1,0,0|1,0,2]=4 94 B9R1.15 O=CC1=C(Cl)C=CC=C1 118500 [0,0,0,1,0,0|1,0,2]=4 95 B9R1.15 O=CC1=C(Cl)N=CC=C1 036249 [0,0,0,1,0,0|2,0,1]=4 96 B9R1.15 O=CC1=C(F)C=CC=C1 001671 [0,0,0,1,0,0|1,0,2]=4 97 B9R1.15 O=CC1=C(I)C=CC=C1 024292 [0,0,0,1,0,0|1,0,2]=4 98 B9R1.15 O=CC1=C(O)C=CC=C1 169200 [0,0,0,1,0,0|1,0,2]=4 99 B9R1.15 O=CC1=CC=CN=C1Br 048768 [0,0,0,1,0,0|2,0,1]=4 100 B9R1.15 OCC1=C(Cl)C=CC=C1 001375 [0,0,0,1,0,0|2,0,1]=4 101 B9R1.15 OCC1=C(F)C=CC=C1 006196 [0,0,0,1,0,0|2,0,1]=4 102 B9R1.15 OCC1=C(S)C=CC=C1 001239 [0,0,0,1,0,0|1,1,1]=4 103 B9R1.15 OCC1=CC=CC=C1I 093337 [0,0,0,1,0,0|2,0,1]=4 104 B9R1.15 OCC1=CC=CC=C1O 078974 [0,0,0,1,0,0|1,0,2]=4 105 B9R1.15 SCC1=C(Br)C=CC=C1 024350 [0,0,0,1,0,0|2,0,1]=4 106 B6R0.6 C=COCCCC 106580 [2,0,0,0,0,0|1,0,1]=4 107 B6R0.6 CCCCCC=O 094968 [2,0,0,0,0,0|0,0,2]=4 108 B6R0.6 CCCCNC=O 103559 [2,0,0,0,0,0|1,0,1]=4 109 B6R0.6 CCC\C=C\C=O 098868 [2,0,0,0,0,0|0,0,0]=2 110 B6R0.6 C\C=C\C=C\C=O 242913 [2,0,0,0,0,0|0,0,0]=2 111 B8R0.1 CCOC(=O)\C=C\C=O 235591 [1,1,0,0,0,0|1,0,0]=3 112 B8R0.6 C=CC(=O)OCCCC 099438 [1,1,0,0,0,0|1,0,1]=4 113 B8R0.7 CCCC\C=C\C(C)=O 104079 [1,1,0,0,0,0|0,0,1]=3 114 B10R0.71 CCCCCCC\C=C\C=O 319883 [0,2,0,0,0,0|0,0,2]=4 115 B10R0.71 CCCCC\C=C\C=C\C=O 240376 [0,2,0,0,0,0|0,0,0]=2 116 B8R1.2 BrCC1=CC=CC=C1 003666 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.2 BrCC1=NC=CC=C1 067831 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.2 CCC1=CC=CC=C1 094632 [1,0,0,1,0,0|0,0,1]=3 119 B8R1.2 CCC1=CC=CC=N1 098941 [1,0,0,1,0,0|1,0,0]=3 120 B8R1.2 CCC1=CC=CN=C1 242838 [1,0,0,1,0,0|1,0,1]=4 121 B8R1.2 CCC1=CC=NC=C1 319885 [1,0,0,1,0,0|1,0,1]=4 122 B8R1.2 CCC1=NC=CN=C1 002727 [1,0,0,1,0,0|2,0,0]=4 123 B8R1.2 CC[N+]1=CC=CC=C1 046807 [1,0,0,1,0,0|1,0,0]=3 124 B8R1.2 CNC1=CC=CC=C1 094625 [1,0,0,1,0,0|1,0,1]=4 125 B8R1.2 CNC1=NC=CC=C1 233304 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.2 COC1=CC=CC=C1 M03556 [1,0,0,1,0,0|1,0,1]=4 127 B8R1.2 COC1=NC=CC=C1 045214 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.2 CSC1=CC=CC=C1 002945 [1,0,0,1,0,0|1,0,1]=4 129 B8R1.2 ClCC1=CC=CC=C1 106800 [1,0,0,1,0,0|1,0,1]=4 130 B8R1.2 ClCC1=CC=CC=N1 026180 [1,0,0,1,0,0|2,0,0]=4 131 B8R1.2 NCC1=CC=CC=C1 098408 [1,0,0,1,0,0|1,0,1]=4 132 B8R1.2 NCC1=CC=CC=C1 241882 [1,0,0,1,0,0|1,0,1]=4 133 B8R1.2 NCC1=NC=CC=C1 009750 [1,0,0,1,0,0|2,0,0]=4 134 B8R1.2 O=CC1=CC=CN=C1 065202 [1,0,0,1,0,0|1,0,1]=4 135 B8R1.2 O=CC1=CCCCC1 235736 [1,0,0,1,0,0|0,0,1]=3 136 B8R1.2 O=CC1=NC=CC=C1 065201 [1,0,0,1,0,0|1,0,1]=4 137 B8R1.2 OCC1=CC=CC=C1 094986 [1,0,0,1,0,0|1,0,1]=4 138 B8R1.2 OCC1=CC=CC=C1 105725 [1,0,0,1,0,0|1,0,1]=4 139 B8R1.2 OCC1=NC=CC=C1 043374 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.2 SCC1=CC=CC=C1 098994 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.2 [O-]CC1=CC=CC=C1 105697 [1,0,0,1,0,0|1,0,1]=4 142 B8R1.5 CC1=C(Br)C=CC=C1 001397 [1,0,0,1,0,0|1,0,1]=4 143 B8R1.5 CC1=C(C)C=CC=C1 094836 [1,0,0,1,0,0|1,0,1]=4 144 B8R1.5 CC1=C(C)C=CC=C1 098283 [1,0,0,1,0,0|1,0,1]=4 145 B8R1.5 CC1=C(F)C=CC=C1 001423 [1,0,0,1,0,0|1,0,1]=4 146 B8R1.5 CC1=C(I)C=CC=C1 001199 [1,0,0,1,0,0|1,0,1]=4 147 B8R1.5 CC1=C(N)C=CC=C1 043316 [1,0,0,1,0,0|1,0,1]=4 148 B8R1.5 CC1=C(S)C=CC=C1 172400 [1,0,0,1,0,0|0,1,1]=4 149 B8R1.5 CC1=C([NH3+])C=CC=C1 180149 [1,0,0,1,0,0|1,0,1]=4 150 B8R1.5 CC1=CC=CC=C1Cl 235783 [1,0,0,1,0,0|1,0,1]=4 151 B8R1.5 CC1=CC=CC=C1O 239923 [1,0,0,1,0,0|0,0,2]=4 152 B8R1.5 CC1=CC=CC=[N+]1C 181294 [1,0,0,1,0,0|2,0,0]=4 153 B8R1.5 CC1=CC=CNC1=O 077668 [1,0,0,1,0,0|1,0,1]=4 154 B8R1.5 CN1C=CC=CC1=O 233629 [1,0,0,1,0,0|1,0,0]=3 155 B8R1.5 C[N+]1=C(Br)C=CC=C1 182517 [1,0,0,1,0,0|2,0,0]=4 156 B8R1.5 C[N+]1=C(Cl)C=CC=C1 067321 [1,0,0,1,0,0|2,0,0]=4 157 B8R1.8 CCCC1=CC=CS1 003676 [1,0,0,1,0,0|0,1,0]=3 158 B8R1.8 CNCC1=CC=CO1 226183 [1,0,0,1,0,0|1,0,1]=4 159 B8R1.8 CNCC1=CC=CS1 065484 [1,0,0,1,0,0|1,1,0]=4 160 B8R1.8 ClCCN1C=CC=C1 046765 [1,0,0,1,0,0|2,0,0]=4 161 B8R1.8 NCCC1=CC=CS1 021380 [1,0,0,1,0,0|1,1,0]=4 162 B8R1.8 OCCC1=CC=CS1 208753 [1,0,0,1,0,0|1,1,0]=4 163 B8R1.8 OCCC1=CSC=C1 076012 [1,0,0,1,0,0|2,0,0]=4 164 B8R1.11 CC1=C(C=O)SC=C1 024308 [1,0,0,1,0,0|1,0,1]=4 165 B8R1.11 CN1C=CC=C1C=O 079662 [1,0,0,1,0,0|1,0,0]=3 166 B8R1.11 CN1C=CN=C1C=O 024306 [1,0,0,1,0,0|2,0,0]=4 167 B8R1.11 CN1N=CC=C1C=O 031350 [1,0,0,1,0,0|2,0,0]=4 168 B8R1.22 O=C1C=CCCCC1 208633 [1,0,0,1,0,0|0,0,1]=3 169 B10R1.10 CC1=CC=CC(CCO)=C1 068240 [0,1,0,1,0,0|2,0,0]=4 170 B10R1.10 CCCC1=CC=CC(O)=C1 431370 [0,1,0,1,0,0|0,0,1]=3 171 B10R1.10 CCNC1=CC=CC(C)=C1 216666 [0,1,0,1,0,0|2,0,0]=4 172 B10R1.10 CCOC1=CC(C)=CC=C1 095135 [0,1,0,1,0,0|2,0,0]=4 173 B10R1.10 CCSC1=CC(Br)=CC=C1 094879 [0,1,0,1,0,0|2,0,0]=4 174 B10R1.10 CNCC1=CC=CC(C)=C1 224541 [0,1,0,1,0,0|2,0,0]=4 175 B10R1.10 CNCC1=CC=CC(F)=C1 077129 [0,1,0,1,0,0|2,0,0]=4 176 B10R1.10 COCC1=CC(Br)=CC=C1 235324 [0,1,0,1,0,0|2,0,0]=4 177 B10R1.10 ClC1=CC=CC(CCBr)=C1 020894 [0,1,0,1,0,0|2,0,0]=4 178 B10R1.10 NCCC1=CC=CC(Br)=C1 048827 [0,1,0,1,0,0|2,0,0]=4 179 B10R1.10 NCCC1=CC=CC(Cl)=C1 018421 [0,1,0,1,0,0|2,0,0]=4 180 B10R1.10 NCCC1=CC=CC(F)=C1 040107 [0,1,0,1,0,0|2,0,0]=4 181 B10R1.10 NCCC1=CC=CC(O)=C1 009950 [0,1,0,1,0,0|1,0,1]=4 182 B10R1.10 OCCC1=CC(O)=CC=C1 092020 [0,1,0,1,0,0|1,0,1]=4 183 B10R1.10 OCCC1=CC=CC(Br)=C1 092240 [0,1,0,1,0,0|2,0,0]=4 184 B10R1.10 OCCC1=CC=CC(Cl)=C1 078742 [0,1,0,1,0,0|2,0,0]=4 185 B10R1.10 OCCC1=CC=CC(F)=C1 010684 [0,1,0,1,0,0|2,0,0]=4 186 B10R1.18 CC(Br)CC1=CC=CC=C1 243231 [0,1,0,1,0,0|1,0,0]=3 187 B10R1.18 CC(C)CC1=CC=NC=C1 032546 [0,1,0,1,0,0|2,0,0]=4 188 B10R1.18 CC(C)NC1=CC=CC=C1 079480 [0,1,0,1,0,0|2,0,0]=4 189 B10R1.18 CC(C)OC1=CC=CC=C1 038454 [0,1,0,1,0,0|2,0,0]=4 190 B10R1.18 CC(O)CC1=CC=CC=C1 339985 [0,1,0,1,0,0|1,0,0]=3 191 B10R1.18 CN(C)CC1=CC=CC=C1 102405 [0,1,0,1,0,0|2,0,0]=4 192 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 036085 [0,1,0,1,0,0|1,0,0]=3 193 B10R1.18 C[C@H](O)CC1=CC=CC=C1 036086 [0,1,0,1,0,0|1,0,0]=3 194 B10R1.39 CCN1C=CC=C1C(C)=O 002746 [0,1,0,1,0,0|1,0,0]=3 195 B10R1.39 CCN1N=CC=C1C(=O)O 014531 [0,1,0,1,0,0|2,0,0]=4 196 B10R1.61 CC(C)C1=C(Br)C=CC=C1 009741 [0,1,0,1,0,0|1,0,1]=4 197 B10R1.61 CC(C)C1=C(I)C=CC=C1 001198 [0,1,0,1,0,0|1,0,1]=4 198 B10R1.61 CC(C)C1=C(N)C=CC=C1 033911 [0,1,0,1,0,0|1,0,1]=4 199 B10R1.61 CC(C)C1=CC=CC=C1O 208839 [0,1,0,1,0,0|0,0,2]=4 200 B10R1.61 CC(C)C1=CC=CC=C1S 023120 [0,1,0,1,0,0|0,1,1]=4 201 B10R1.61 CC(O)C1=C(Br)C=CC=C1 094463 [0,1,0,1,0,0|1,0,1]=4 202 B10R1.61 CC(O)C1=C(F)C=CC=C1 006337 [0,1,0,1,0,0|1,0,1]=4 203 B10R1.61 CC1=C(C(=O)Cl)C=CC=C1 387693 [0,1,0,1,0,0|0,0,2]=4 204 B10R1.61 CC1=C(C(=O)O)C=CC=N1 043686 [0,1,0,1,0,0|1,0,1]=4 205 B10R1.61 CC1=C(C(N)=O)C=CC=C1 341826 [0,1,0,1,0,0|0,0,2]=4 206 B10R1.61 CC1=CC=CC=C1C(=O)O 242818 [0,1,0,1,0,0|0,0,2]=4 207 B10R1.11 CCCC(=O)C1=CC=CS1 024321 [0,1,0,1,0,0|0,1,0]=3 208 B10R1.11 CCCC(O)C1=CC=CS1 102687 [0,1,0,1,0,0|0,1,1]=4 209 B10R1.11 CCOC(=O)C1=CC=CN1 044380 [0,1,0,1,0,0|2,0,0]=4 210 B10R1.11 CCOC(=O)C1=CC=CO1 094583 [0,1,0,1,0,0|1,0,1]=4 211 B10R1.11 CCOC(=O)C1=CC=CS1 209197 [0,1,0,1,0,0|1,1,0]=4 212 B10R1.21 CCCCCC1=CC=CO1 241560 [0,1,0,1,0,0|0,0,2]=4 213 B10R1.25 C(=O)C1=C(C)C=C(F)C=C1 022355 [0,1,0,1,0,0|0,0,2]=4 214 B10R1.25 C(=O)C1=CC=C(Cl)C=C1C 022354 [0,1,0,1,0,0|0,0,2]=4 215 B10R1.25 CC1=C(C=O)C=CC(O)=C1 040085 [0,1,0,1,0,0|0,0,2]=4 216 B10R1.25 CC1=CC(Br)=CC=C1C=O 079274 [0,1,0,1,0,0|0,0,2]=4 217 B10R1.25 CC1=CC=C(C=O)C(C)=C1 092111 [0,1,0,1,0,0|0,0,2]=4 218 B10R1.25 CCC1=C(Cl)C=C(Cl)C=C1 105745 [0,1,0,1,0,0|1,0,1]=4 219 B10R1.96 CCCN1C=C(C=O)C=N1 059052 [0,1,0,1,0,0|2,0,0]=4 220 B10R1.245 CC1=C(C=O)C(F)=CC=C1 092258 [0,1,0,1,0,0|0,0,2]=4 221 B10R1.245 CC1=CC=CC(C)=C1C=O 077695 [0,1,0,1,0,0|0,0,2]=4 222 B10R1.245 CC1=CC=CC(Cl)=C1C=O 032490 [0,1,0,1,0,0|0,0,2]=4 223 B10R1.4 CC1=C(CCN)C=CC=C1 018849 [0,1,0,1,0,0|1,0,1]=4 224 B10R1.4 CC1=C(CCN)C=CC=C1 094128 [0,1,0,1,0,0|1,0,1]=4 225 B10R1.4 CC1=CC=CC=C1CCO 243106 [0,1,0,1,0,0|1,0,1]=4 226 B10R1.4 CC1=CC=CC=C1NC=O 180097 [0,1,0,1,0,0|0,0,2]=4 227 B10R1.4 CC1=CC=CN=C1CCO 032581 [0,1,0,1,0,0|2,0,0]=4 228 B10R1.4 CCCC1=CC=NC=C1C 032545 [0,1,0,1,0,0|1,0,0]=3 229 B10R1.4 CCNC1=C(F)C=CC=C1 017358 [0,1,0,1,0,0|1,0,1]=4 230 B10R1.4 CCNC1=CC=CC=C1C 243028 [0,1,0,1,0,0|1,0,1]=4 231 B10R1.4 CCOC1=C(Br)C=CC=C1 239298 [0,1,0,1,0,0|1,0,1]=4 232 B10R1.4 CCOC1=C(C)C=CC=C1 095339 [0,1,0,1,0,0|1,0,1]=4 233 B10R1.4 CCOC1=C(F)C=CC=C1 006316 [0,1,0,1,0,0|1,0,1]=4 234 B10R1.4 CCOC1=C(N)C=CC=C1 044850 [0,1,0,1,0,0|1,0,1]=4 235 B10R1.4 CCOC1=CC=CC=C1O 216685 [0,1,0,1,0,0|0,0,2]=4 236 B10R1.4 CCSC1=C(Cl)C=CC=C1 094570 [0,1,0,1,0,0|1,0,1]=4 237 B10R1.4 CNCC1=CC=CC=C1F 077128 [0,1,0,1,0,0|1,0,1]=4 238 B10R1.4 COCC1=CC=CC=C1Br 233857 [0,1,0,1,0,0|1,0,1]=4 239 B10R1.4 NCCC1=C(Cl)C=CC=C1 008893 [0,1,0,1,0,0|1,0,1]=4 240 B10R1.4 NCCC1=C(F)C=CC=C1 044800 [0,1,0,1,0,0|1,0,1]=4 241 B10R1.4 NCCC1=CC=CC=C1Br 067221 [0,1,0,1,0,0|1,0,1]=4 242 B10R1.4 OCCC1=C(F)C=CC=C1 006314 [0,1,0,1,0,0|1,0,1]=4 243 B10R1.4 OCCC1=CC=CC=C1Br 210426 [0,1,0,1,0,0|1,0,1]=4 244 B10R1.4 OCCC1=CC=CC=C1Cl 329148 [0,1,0,1,0,0|1,0,1]=4 245 B10R1.4 OCCC1=CC=CC=C1O 215704 [0,1,0,1,0,0|0,0,2]=4 246 B10R1.17 BrCCCC1=CC=CC=C1 113800 [0,1,0,1,0,0|1,0,0]=3 247 B10R1.17 BrCCOC1=CC=CC=C1 210427 [0,1,0,1,0,0|2,0,0]=4 248 B10R1.17 BrCCSC1=CC=CC=C1 003535 [0,1,0,1,0,0|2,0,0]=4 249 B10R1.17 C#CCCC1=CC=CC=C1 062967 [0,1,0,1,0,0|1,0,1]=4 250 B10R1.17 C=CCCC1=CC=CC=C1 342184 [0,1,0,1,0,0|1,0,1]=4 251 B10R1.17 CCC#CC1=CC=CC=C1 103664 [0,1,0,1,0,0|1,0,1]=4 252 B10R1.17 CCCCC1=CC=CC=C1 240933 [0,1,0,1,0,0|1,0,0]=3 253 B10R1.17 CCCC[N+]1=CC=CC=C1 237751 [0,1,0,1,0,0|1,0,1]=4 254 B10R1.17 CCCNC1=CC=CC=C1 324115 [0,1,0,1,0,0|1,0,0]=3 255 B10R1.17 CCCSC1=CC=CC=C1 094618 [0,1,0,1,0,0|1,0,0]=3 256 B10R1.17 CCCSC1=NC=CC=C1 097642 [0,1,0,1,0,0|1,0,0]=3 257 B10R1.17 CCNCC1=CC=CC=C1 239060 [0,1,0,1,0,0|1,0,0]=3 258 B10R1.17 CCNCC1=CC=CN=C1 046110 [0,1,0,1,0,0|2,0,0]=4 259 B10R1.17 CCOCC1=CC=CC=C1 240434 [0,1,0,1,0,0|1,0,0]=3 260 B10R1.17 CCSCC1=CC=CC=C1 094637 [0,1,0,1,0,0|1,0,0]=3 261 B10R1.17 CNCCC1=CC=CC=C1 046956 [0,1,0,1,0,0|1,0,0]=3 262 B10R1.17 CNCCC1=NC=CC=C1 065480 [0,1,0,1,0,0|1,0,0]=3 263 B10R1.17 ClCCCC1=CC=CC=C1 320132 [0,1,0,1,0,0|1,0,0]=3 264 B10R1.17 ClCCSC1=CC=CC=C1 003536 [0,1,0,1,0,0|2,0,0]=4 265 B10R1.17 ClCOCC1=CC=CC=C1 106900 [0,1,0,1,0,0|2,0,0]=4 266 B10R1.17 ICCOC1=CC=CC=C1 313818 [0,1,0,1,0,0|2,0,0]=4 267 B10R1.17 N#CCCC1=CC=CC=C1 337065 [0,1,0,1,0,0|1,0,1]=4 268 B10R1.17 NCCCC1=CC=CC=C1 008890 [0,1,0,1,0,0|1,0,0]=3 269 B10R1.17 NCCNC1=CC=CC=C1 320056 [0,1,0,1,0,0|2,0,0]=4 270 B10R1.17 NCCOC1=CC=CC=C1 078737 [0,1,0,1,0,0|2,0,0]=4 271 B10R1.17 O=CCCC1=CC=CC=C1 237467 [0,1,0,1,0,0|1,0,1]=4 272 B10R1.17 OCCCC1=CC=CC=C1 241187 [0,1,0,1,0,0|1,0,0]=3 273 B10R1.17 OCCCC1=CC=CN=C1 032639 [0,1,0,1,0,0|2,0,0]=4 274 B10R1.17 OCCCC1=CC=NC=C1 093367 [0,1,0,1,0,0|2,0,0]=4 275 B10R1.17 OCCCC1=NC=CC=C1 234266 [0,1,0,1,0,0|1,0,0]=3 276 B10R1.17 OCCNC1=CC=CC=C1 240954 [0,1,0,1,0,0|2,0,0]=4 277 B10R1.17 OCCNC1=NC=CC=C1 034929 [0,1,0,1,0,0|2,0,0]=4 278 B10R1.17 OCCNC1=NC=CC=C1 061534 [0,1,0,1,0,0|2,0,0]=4 279 B10R1.17 OCCOC1=CC=CC=C1 005091 [0,1,0,1,0,0|2,0,0]=4 280 B10R1.17 OCCSC1=CC=CC=C1 003534 [0,1,0,1,0,0|2,0,0]=4 281 B10R1.30 C(=O)C1=C(C)C=CC(F)=C1 022378 [0,1,0,1,0,0|0,0,2]=4 282 B10R1.30 CC1=CC=C(C)C(C=O)=C1 329590 [0,1,0,1,0,0|0,0,2]=4 283 B10R1.30 CCC1=C(Br)C=CC(Br)=C1 037720 [0,1,0,1,0,0|1,0,1]=4 284 B10R1.30 CCC1=C(Br)C=CC(N)=C1 044816 [0,1,0,1,0,0|1,0,1]=4 285 B10R1.30 CCC1=C(Cl)C=CC(Br)=C1 037719 [0,1,0,1,0,0|1,0,1]=4 286 B10R1.30 CCC1=C(Cl)C=CC(O)=C1 049114 [0,1,0,1,0,0|1,0,1]=4 287 B10R1.30 CCC1=C(I)C=CC(Br)=C1 024167 [0,1,0,1,0,0|1,0,1]=4 288 B10R1.30 CCC1=C(N)C=CC(Br)=C1 037858 [0,1,0,1,0,0|1,0,1]=4 289 B10R1.30 CCC1=C(O)C=CC(F)=C1 006110 [0,1,0,1,0,0|0,0,2]=4 290 B10R1.30 CCC1=CC(Cl)=CC=C1Br 037714 [0,1,0,1,0,0|1,0,1]=4 291 B10R1.30 CCC1=CC(I)=CC=C1Br 037713 [0,1,0,1,0,0|1,0,1]=4 292 B10R1.20 CCC1=C(CO)C=CC=C1 456420 [0,1,0,1,0,0|0,0,2]=4 293 B10R1.20 CCC1=C(NN)C=CC=C1 008798 [0,1,0,1,0,0|1,0,1]=4 294 B10R1.20 CCC1=C(SC)C=CC=C1 094763 [0,1,0,1,0,0|0,1,1]=4 295 B10R1.20 CCC1=CC=CC=C1C=O 092103 [0,1,0,1,0,0|0,0,1]=3 296 B10R1.20 COC1=CC=CC=C1C=O 242823 [0,1,0,1,0,0|0,0,2]=4 297 B10R1.20 CSC1=C(C=O)C=CC=C1 103584 [0,1,0,1,0,0|0,0,2]=4 298 B10R1.1 CC1=CC=C(CCN)C=C1 018851 [0,1,0,1,0,0|2,0,0]=4 299 B10R1.1 CC1=CC=C(CCO)C=C1 216320 [0,1,0,1,0,0|2,0,0]=4 300 B10R1.1 CCCC1=CC=C(Cl)C=C1 018453 [0,1,0,1,0,0|1,0,0]=3 301 B10R1.1 CCCC1=CC=C(O)C=C1 068339 [0,1,0,1,0,0|1,0,0]=3 302 B10R1.1 CCOC1=CC=C(Br)C=C1 024186 [0,1,0,1,0,0|2,0,0]=4 303 B10R1.1 CCOC1=CC=C(F)C=C1 006317 [0,1,0,1,0,0|2,0,0]=4 304 B10R1.1 CCOC1=CC=C(I)C=C1 038701 [0,1,0,1,0,0|2,0,0]=4 305 B10R1.1 CCOC1=CC=C(N)C=C1 230478 [0,1,0,1,0,0|2,0,0]=4 306 B10R1.1 CCOC1=CC=C(O)C=C1 049967 [0,1,0,1,0,0|2,0,0]=4 307 B10R1.1 CCOC1=NC=C(I)C=C1 363566 [0,1,0,1,0,0|2,0,0]=4 308 B10R1.1 CCSC1=CC=C(C)C=C1 094757 [0,1,0,1,0,0|2,0,0]=4 309 B10R1.1 CCSC1=CC=C(Cl)C=C1 094917 [0,1,0,1,0,0|2,0,0]=4 310 B10R1.1 CCSC1=CC=C(F)C=C1 094569 [0,1,0,1,0,0|2,0,0]=4 311 B10R1.1 CNCC1=CC=C(Br)C=C1 076658 [0,1,0,1,0,0|2,0,0]=4 312 B10R1.1 CNCC1=CC=C(C)C=C1 078911 [0,1,0,1,0,0|2,0,0]=4 313 B10R1.1 CNCC1=CC=C(F)C=C1 040105 [0,1,0,1,0,0|2,0,0]=4 314 B10R1.1 COCC1=CC=C(Br)C=C1 325028 [0,1,0,1,0,0|2,0,0]=4 315 B10R1.1 ClC1=CC=C(CCBr)C=C1 020895 [0,1,0,1,0,0|2,0,0]=4 316 B10R1.1 FC1=CC=C(CCBr)C=C1 020897 [0,1,0,1,0,0|2,0,0]=4 317 B10R1.1 FC1=CC=C(CCCl)C=C1 010403 [0,1,0,1,0,0|2,0,0]=4 318 B10R1.1 NC1=CC=C(CCO)C=C1 005442 [0,1,0,1,0,0|2,0,0]=4 319 B10R1.1 NCCC1=CC=C(Br)C=C1 013456 [0,1,0,1,0,0|2,0,0]=4 320 B10R1.1 NCCC1=CC=C(Br)C=C1 018305 [0,1,0,1,0,0|2,0,0]=4 321 B10R1.1 NCCC1=CC=C(Cl)C=C1 008894 [0,1,0,1,0,0|2,0,0]=4 322 B10R1.1 NCCC1=CC=C(F)C=C1 040108 [0,1,0,1,0,0|2,0,0]=4 323 B10R1.1 NCCC1=CC=C(F)C=C1 240692 [0,1,0,1,0,0|2,0,0]=4 324 B10R1.1 NCCC1=CC=C(N)C=C1 040089 [0,1,0,1,0,0|2,0,0]=4 325 B10R1.1 NCCC1=CC=C(O)C=C1 078887 [0,1,0,1,0,0|2,0,0]=4 326 B10R1.1 NCCC1=CC=C(O)C=C1 241212 [0,1,0,1,0,0|2,0,0]=4 327 B10R1.1 OCCC1=CC=C(Br)C=C1 040529 [0,1,0,1,0,0|2,0,0]=4 328 B10R1.1 OCCC1=CC=C(Cl)C=C1 209207 [0,1,0,1,0,0|2,0,0]=4 329 B10R1.1 OCCC1=CC=C(F)C=C1 006315 [0,1,0,1,0,0|2,0,0]=4 330 B10R1.1 OCCC1=CC=C(I)C=C1 078447 [0,1,0,1,0,0|2,0,0]=4 331 B10R1.1 OCCC1=CC=C(O)C=C1 077935 [0,1,0,1,0,0|2,0,0]=4 332 B10R1.2 CC1=C(C)C(C=O)=CC=C1 079056 [0,1,0,1,0,0|0,0,2]=4 333 B10R1.2 CC1=C(C=O)C=CC=C1Cl 044797 [0,1,0,1,0,0|0,0,2]=4 334 B10R1.2 CCC1=C(Br)C(C)=CC=C1 038639 [0,1,0,1,0,0|1,0,1]=4 335 B10R1.15 CC(CN)C1=CC=CC=C1 008888 [0,1,0,1,0,0|2,0,0]=4 336 B10R1.15 CCC(=O)C1=CC=CC=C1 094675 [0,1,0,1,0,0|1,0,1]=4 337 B10R1.15 CCC(C)C1=CC=CC=C1 094615 [0,1,0,1,0,0|1,0,0]=3 338 B10R1.15 CCC(O)C1=CC=CC=C1 242652 [0,1,0,1,0,0|1,0,0]=3 339 B10R1.15 CCN(C)C1=CC=CC=C1 092421 [0,1,0,1,0,0|2,0,0]=4 340 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 208825 [0,1,0,1,0,0|1,0,0]=3 341 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 103637 [0,1,0,1,0,0|1,0,0]=3 342 B10R1.15 CC[C@H](N)C1=CC=CC=C1 227613 [0,1,0,1,0,0|1,0,0]=3 343 B10R1.15 CNC(C)C1=CC=CC=C1 371108 [0,1,0,1,0,0|2,0,0]=4 344 B10R1.15 CN[C@H](C)C1=CC=CC=C1 337064 [0,1,0,1,0,0|2,0,0]=4 345 B10R1.15 NC(CO)C1=CC=CC=C1 364268 [0,1,0,1,0,0|2,0,0]=4 346 B10R1.15 NCC(O)C1=CC=CC=C1 008897 [0,1,0,1,0,0|2,0,0]=4 347 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 318280 [0,1,0,1,0,0|2,0,0]=4 348 B10R1.15 NC[C@H](O)C1=CC=CC=C1 077860 [0,1,0,1,0,0|2,0,0]=4 349 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 040100 [0,1,0,1,0,0|2,0,0]=4 350 B10R1.15 N[C@H](CO)C1=CC=CC=C1 034311 [0,1,0,1,0,0|2,0,0]=4 351 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 103828 [0,1,0,1,0,0|2,0,0]=4 352 B10R1.172 COC1=CC(C=O)=CC=C1 208834 [0,1,0,1,0,0|1,0,1]=4 353 B10R1.172 COC1=CC=CC(C=O)=N1 065223 [0,1,0,1,0,0|1,0,1]=4 354 B10R2.6 C1=CC=C(C2CC2)C=C1 049412 [0,0,0,2,0,0|1,0,0]=3 355 B10R2.6 C1=CC=C(C2CO2)C=C1 227689 [0,0,0,2,0,0|2,0,0]=4 356 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 221507 [0,0,0,2,0,0|2,0,0]=4 357 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 223292 [0,0,0,2,0,0|2,0,0]=4 358 B10R2.7 C1=CC2=C(C=C1)CCC2 046831 [0,0,0,2,0,0|1,0,0]=3 359 B10R2.7 C1=CC=C2CNCC2=C1 041927 [0,0,0,2,0,0|2,0,0]=4 360 B10R2.7 C1=CC=C2NCCC2=C1 068790 [0,0,0,2,0,0|1,0,1]=4 361 B10R2.7 C1=CC=C2OCCC2=C1 017117 [0,0,0,2,0,0|0,0,2]=4 362 B10R2.7 C1=CN=C2CCCC2=C1 075302 [0,0,0,2,0,0|1,0,0]=3