0 B10R1.17 BrCCCC1=CC=CC=C1 113800 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.17 BrCCOC1=CC=CC=C1 210427 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.17 BrCCSC1=CC=CC=C1 003535 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.17 C#CCCC1=CC=CC=C1 062967 [0,0,0,0,0,0|1,0,3]=4 4 B10R1.17 C(=O)NCC1=CC=CC=C1 300142 [0,0,0,0,0,0|1,0,3]=4 5 B10R1.17 C=CCCC1=CC=CC=C1 342184 [0,0,0,0,0,0|1,0,3]=4 6 B10R1.17 C=CCOC1=CC=CC=C1 242682 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.17 C=CCSC1=CC=CC=C1 003665 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.17 CCC#CC1=CC=CC=C1 103664 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.17 CCCCC1=CC=CC=C1 240933 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.17 CCCC[N+]1=CC=CC=C1 237751 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.17 CCCNC1=CC=CC=C1 324115 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.17 CCCSC1=CC=CC=C1 094618 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.17 CCCSC1=NC=CC=C1 097642 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.17 CCNCC1=CC=CC=C1 239060 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.17 CCNCC1=CC=CN=C1 046110 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.17 CCOCC1=CC=CC=C1 240434 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.17 CCSCC1=CC=CC=C1 094637 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.17 CNCCC1=CC=CC=C1 046956 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.17 ClCCCC1=CC=CC=C1 320132 [0,0,0,0,0,0|1,0,2]=3 20 B10R1.17 ClCCSC1=CC=CC=C1 003536 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.17 ClCOCC1=CC=CC=C1 106900 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.17 ICCOC1=CC=CC=C1 313818 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.17 N#CCCC1=CC=CC=C1 337065 [0,0,0,0,0,0|1,0,3]=4 24 B10R1.17 N#CCOC1=CC=CC=C1 239898 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.17 N#CCSC1=CC=CC=C1 003773 [0,0,0,0,0,0|2,0,2]=4 26 B10R1.17 NCC#CC1=CC=CC=C1 050963 [0,0,0,0,0,0|1,0,2]=3 27 B10R1.17 NCCCC1=CC=CC=C1 008890 [0,0,0,0,0,0|1,0,2]=3 28 B10R1.17 NCCNC1=CC=CC=C1 320056 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.17 NCCNC1=CC=NC=C1 033853 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.17 NCCOC1=CC=CC=C1 078737 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.17 O=CC#CC1=CC=CC=C1 079303 [0,0,0,0,0,0|0,0,4]=4 32 B10R1.17 O=CCCC1=CC=CC=C1 237467 [0,0,0,0,0,0|0,0,4]=4 33 B10R1.17 O=COCC1=CC=CC=C1 240742 [0,0,0,0,0,0|1,0,3]=4 34 B10R1.17 O=C\C=C\C1=CC=CC=C1 099129 [0,0,0,0,0,0|0,0,2]=2 35 B10R1.17 O=C\C=C\C1=CC=CC=C1 224150 [0,0,0,0,0,0|0,0,2]=2 36 B10R1.17 OCC#CC1=CC=CC=C1 166200 [0,0,0,0,0,0|0,0,2]=2 37 B10R1.17 OCCCC1=CC=CC=C1 241187 [0,0,0,0,0,0|0,0,2]=2 38 B10R1.17 OCCCC1=CC=CN=C1 032639 [0,0,0,0,0,0|1,0,2]=3 39 B10R1.17 OCCCC1=CC=NC=C1 093367 [0,0,0,0,0,0|1,0,2]=3 40 B10R1.17 OCCCC1=NC=CC=C1 234266 [0,0,0,0,0,0|1,0,2]=3 41 B10R1.17 OCCNC1=CC=CC=C1 240954 [0,0,0,0,0,0|1,0,1]=2 42 B10R1.17 OCCNC1=CC=NC=C1 034928 [0,0,0,0,0,0|2,0,1]=3 43 B10R1.17 OCCNC1=NC=CC=C1 034929 [0,0,0,0,0,0|2,0,1]=3 44 B10R1.17 OCCNC1=NC=CC=C1 061534 [0,0,0,0,0,0|2,0,1]=3 45 B10R1.17 OCCOC1=CC=CC=C1 005091 [0,0,0,0,0,0|1,0,1]=2 46 B10R1.17 OCCSC1=CC=CC=C1 003534 [0,0,0,0,0,0|1,0,1]=2 47 B10R1.17 OC\C=C\C1=CC=CC=C1 237687 [0,0,0,0,0,0|0,0,0]=0 48 B10R1.17 S=C=NCC1=CC=CC=C1 002504 [0,0,0,0,0,0|1,1,2]=4 49 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 342017 [0,0,0,0,0,0|3,0,1]=4 50 B9R1.8 BrCCC1=CC=CC=C1 019261 [1,0,0,0,0,0|1,0,1]=3 51 B9R1.8 Br\C=C\C1=CC=CC=C1 049835 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.8 C#CCC1=CC=CC=C1 080054 [1,0,0,0,0,0|0,0,3]=4 53 B9R1.8 C=CCC1=CC=CC=C1 005425 [1,0,0,0,0,0|0,0,2]=3 54 B9R1.8 C=CC[N+]1=CC=CC=C1 181022 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.8 C=CSC1=CC=CC=C1 008052 [1,0,0,0,0,0|1,0,1]=3 56 B9R1.8 CC#CC1=CC=CC=C1 166000 [1,0,0,0,0,0|0,0,2]=3 57 B9R1.8 CCCC1=CC=CC=C1 095067 [1,0,0,0,0,0|0,0,2]=3 58 B9R1.8 CCCC1=CC=NC=C1 235894 [1,0,0,0,0,0|1,0,2]=4 59 B9R1.8 CCCC1=NC=CC=C1 242850 [1,0,0,0,0,0|1,0,2]=4 60 B9R1.8 CCNC1=CC=CC=C1 216665 [1,0,0,0,0,0|1,0,1]=3 61 B9R1.8 CCOC1=CC=CC=C1 098890 [1,0,0,0,0,0|1,0,1]=3 62 B9R1.8 CCOC1=NC=CC=C1 049694 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.8 CCSC1=CC=CC=C1 001759 [1,0,0,0,0,0|1,0,1]=3 64 B9R1.8 CCSC1=NC=CC=C1 095363 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.8 CNCC1=CC=CC=C1 020695 [1,0,0,0,0,0|1,0,1]=3 66 B9R1.8 CNCC1=CC=NC=C1 046176 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.8 CSCC1=CC=CC=C1 099640 [1,0,0,0,0,0|1,0,1]=3 68 B9R1.8 C\C=C/C1=CC=CC=C1 167700 [1,0,0,0,0,0|0,0,0]=1 69 B9R1.8 C\C=C\C1=CC=CC=C1 018868 [1,0,0,0,0,0|0,0,0]=1 70 B9R1.8 C\N=C\C1=CC=CC=C1 240625 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.8 ClCCC1=CC=CC=C1 208883 [1,0,0,0,0,0|1,0,1]=3 72 B9R1.8 ClCCC1=CC=CC=N1 070463 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.8 Cl[Mg]CC1=CC=CC=C1 103558 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.8 ICCC1=CC=CC=C1 001087 [1,0,0,0,0,0|1,0,1]=3 75 B9R1.8 N#C[Se]C1=CC=CC=C1 005429 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.8 NCCC1=CC=CC=C1 046873 [1,0,0,0,0,0|1,0,1]=3 77 B9R1.8 NCCC1=CC=CN=C1 010689 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.8 NCCC1=CC=CN=C1 033239 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.8 NCCC1=CC=CN=C1 065473 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.8 NCCC1=CC=NC=C1 010690 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.8 NCCC1=NC=CC=C1 013702 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.8 NNCC1=CC=CC=C1 036859 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.8 NOCC1=CC=CC=C1 036957 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.8 O=C=NC1=CC=CC=C1 165700 [1,0,0,0,0,0|1,0,2]=4 85 B9R1.8 O=CCC1=CC=CC=C1 098878 [1,0,0,0,0,0|0,0,2]=3 86 B9R1.8 O=CNC1=CC=CC=C1 239406 [1,0,0,0,0,0|1,0,1]=3 87 B9R1.8 O=CNC1=NC=CC=C1 474802 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.8 O=S=NC1=CC=CC=C1 341767 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.8 OCCC1=CC=CC=C1 222397 [1,0,0,0,0,0|0,0,1]=2 90 B9R1.8 OCCC1=CC=CN=C1 017523 [1,0,0,0,0,0|1,0,1]=3 91 B9R1.8 OCCC1=CC=NC=C1 228335 [1,0,0,0,0,0|1,0,1]=3 92 B9R1.8 OCCC1=NC=CC=C1 223718 [1,0,0,0,0,0|1,0,1]=3 93 B9R1.8 ONCC1=CC=CC=C1 091512 [1,0,0,0,0,0|1,0,1]=3 94 B9R1.8 ONCC1=CC=CC=C1 238633 [1,0,0,0,0,0|1,0,1]=3 95 B9R1.8 O\N=C\C1=CN=CC=C1 180049 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.8 O\N=C\C1=NC=CC=C1 180048 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.8 O\N=C\C1=NC=CC=C1 227229 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.8 S=C=NC1=CC=CC=C1 358191 [1,0,0,0,0,0|1,1,1]=4 99 B11R1.1 CC1=CC=C(SCCO)C=C1 094955 [0,1,0,0,0,0|1,0,1]=3 100 B11R1.1 CCCCC1=CC=C(Br)C=C1 002481 [0,1,0,0,0,0|1,0,2]=4 101 B11R1.1 CCCCC1=CC=C(I)C=C1 241341 [0,1,0,0,0,0|1,0,2]=4 102 B11R1.1 CCCCC1=CC=C(N)C=C1 037413 [0,1,0,0,0,0|1,0,2]=4 103 B11R1.1 CCCCC1=CC=C(O)C=C1 358059 [0,1,0,0,0,0|1,0,2]=4 104 B11R1.1 CCCOC1=CC=C(Br)C=C1 080302 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.1 CCCOC1=CC=C(C)C=C1 097641 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.1 CCCOC1=CC=C(O)C=C1 225506 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.1 CCCSC1=CC=C(C)C=C1 094774 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.1 N#C\C=C\C1=CC=C(F)C=C1 005919 [0,1,0,0,0,0|1,0,1]=3 109 B11R1.1 NCCOC1=CC=C(Cl)C=C1 038853 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 242694 [0,1,0,0,0,0|0,0,2]=3 111 B11R1.1 O=C\C=C\C1=CC=C(Cl)C=C1 324046 [0,1,0,0,0,0|0,0,2]=3 112 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 076541 [0,1,0,0,0,0|0,0,2]=3 113 B11R1.1 OCC#CC1=CC=C(Cl)C=C1 031740 [0,1,0,0,0,0|0,0,2]=3 114 B11R1.1 OCCCC1=CC=C(Br)C=C1 078163 [0,1,0,0,0,0|0,0,2]=3 115 B11R1.1 OCCSC1=CC=C(F)C=C1 019281 [0,1,0,0,0,0|1,0,1]=3 116 B11R1.16 CCC[C@@H](O)C1=CC=CC=C1 355875 [0,1,0,0,0,0|1,0,2]=4 117 B11R1.16 CCC[C@H](O)C1=CC=CC=C1 488025 [0,1,0,0,0,0|1,0,2]=4 118 B11R1.16 CCOC(=O)C1=CC=CC=C1 300758 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.16 CCOC(=O)C1=CC=CN=C1 093983 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.16 CCOC(=O)C1=CC=NC=C1 092136 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.16 CCOC(=O)C1=NC=CC=C1 079053 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.16 CCOC(=O)C1=NC=CC=C1 141800 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.16 CCO[PH](=O)C1=CC=CC=C1 230391 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.16 CN(CCO)C1=CC=CC=C1 241296 [0,1,0,0,0,0|1,0,1]=3 125 B11R1.16 CN(CCO)C1=NC=CC=C1 036588 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.16 COCC(=O)C1=CC=CC=C1 321462 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.16 N#CCC(=O)C1=CC=CC=C1 013117 [0,1,0,0,0,0|1,0,2]=4 128 B11R1.16 O=C(CCCl)C1=CC=CC=C1 092658 [0,1,0,0,0,0|1,0,1]=3 129 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 018199 [0,1,0,0,0,0|1,1,1]=4 130 B11R1.16 O=C(NCO)C1=CC=CC=C1 001083 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.16 O=C(OCCl)C1=CC=CC=C1 209542 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.16 O=C(\C=N\O)C1=CC=CC=C1 045202 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.16 O=C=NC(=O)C1=CC=CC=C1 046912 [0,1,0,0,0,0|1,0,2]=4 134 B11R1.17 CCCCC1=CC=CC=C1N 330100 [0,1,0,0,0,0|1,0,2]=4 135 B11R1.17 CCCOC1=CC=CC=C1F 218796 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.17 OCCCC1=CC=CC=C1Cl 334105 [0,1,0,0,0,0|0,0,2]=3 137 B11R1.17 OCCOC1=CC=CC=C1O 319577 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.17 OCCSC1=C(Br)C=CC=C1 019302 [0,1,0,0,0,0|1,0,1]=3 139 B11R1.17 OCCSC1=C(Cl)C=CC=C1 019305 [0,1,0,0,0,0|1,0,1]=3 140 B11R1.17 OCCSC1=C(F)C=CC=C1 019277 [0,1,0,0,0,0|1,0,1]=3 141 B11R1.24 CC1=CC(CCCO)=CC=N1 032560 [0,1,0,0,0,0|1,0,2]=4 142 B11R1.24 CC1=CC=CC(CCCO)=N1 032551 [0,1,0,0,0,0|1,0,2]=4 143 B11R1.24 CCCCC1=CC(N)=CC=C1 037562 [0,1,0,0,0,0|1,0,2]=4 144 B11R1.24 CCCCC1=CC=CC(Br)=C1 037560 [0,1,0,0,0,0|1,0,2]=4 145 B11R1.24 CCCCC1=CC=CC(I)=C1 037561 [0,1,0,0,0,0|1,0,2]=4 146 B11R1.24 CCCOC1=CC=CC(Br)=C1 095129 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.24 CCCOC1=CC=CC(C)=C1 095348 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.24 NCCOC1=CC=CC(Cl)=C1 041893 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.24 OCCCC1=CC=CC(Cl)=C1 215060 [0,1,0,0,0,0|0,0,2]=3 150 B11R1.24 OCCSC1=CC(Br)=CC=C1 086491 [0,1,0,0,0,0|1,0,1]=3 151 B11R1.24 OCCSC1=CC(Cl)=CC=C1 019306 [0,1,0,0,0,0|1,0,1]=3 152 B11R1.24 OCCSC1=CC(F)=CC=C1 019276 [0,1,0,0,0,0|1,0,1]=3 153 B11R1.28 BrCCCCC1=CC=CC=C1 008935 [0,1,0,0,0,0|1,0,2]=4 154 B11R1.28 BrCCCOC1=CC=CC=C1 001213 [0,1,0,0,0,0|1,0,2]=4 155 B11R1.28 BrCCOCC1=CC=CC=C1 214587 [0,1,0,0,0,0|1,0,2]=4 156 B11R1.28 CCCCNC1=CC=CC=C1 236771 [0,1,0,0,0,0|1,0,2]=4 157 B11R1.28 CCCCOC1=CC=CC=C1 001072 [0,1,0,0,0,0|1,0,2]=4 158 B11R1.28 CCC\C=C\C1=CC=CC=C1 099042 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.28 CCO\C=N\C1=CC=CC=C1 102609 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.28 CNCCOC1=CC=CC=C1 023561 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.28 COCCSC1=NC=CC=C1 097658 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.28 ClCCCSC1=CC=CC=C1 106017 [0,1,0,0,0,0|1,0,2]=4 163 B11R1.28 ClCCOCC1=CC=CC=C1 222450 [0,1,0,0,0,0|1,0,2]=4 164 B11R1.28 N#CCCNC1=CC=CC=C1 099472 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.28 NCCNCC1=CC=CC=C1 209057 [0,1,0,0,0,0|1,0,2]=4 166 B11R1.28 NCCSCC1=CC=CC=C1 360466 [0,1,0,0,0,0|1,0,2]=4 167 B11R1.28 O=CCOCC1=CC=CC=C1 209052 [0,1,0,0,0,0|1,0,2]=4 168 B11R1.28 OCCCCC1=CC=CC=C1 003411 [0,1,0,0,0,0|0,0,2]=3 169 B11R1.28 OCCCCC1=CC=NC=C1 032569 [0,1,0,0,0,0|1,0,2]=4 170 B11R1.28 OCCNCC1=CC=CC=C1 235550 [0,1,0,0,0,0|0,0,2]=3 171 B11R1.28 OCCNCC1=CC=CN=C1 025443 [0,1,0,0,0,0|1,0,2]=4 172 B11R1.28 OCCOCC1=CC=CC=C1 238804 [0,1,0,0,0,0|0,0,2]=3 173 B11R1.28 OCCSCC1=CC=CC=C1 003733 [0,1,0,0,0,0|0,0,2]=3 174 B11R1.40 C=CC(=O)NC1=CC=CC=C1 320028 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.40 C=CC(=O)OC1=CC=CC=C1 461814 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.40 CCC(O)CC1=CC=CC=C1 103563 [0,1,0,0,0,0|1,0,2]=4 177 B11R1.40 CNC(=O)CC1=CC=CC=C1 449006 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.40 CNC(=O)NC1=CC=CC=C1 342108 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.40 CNC(=O)OC1=CC=CC=C1 104150 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.40 CNC(=S)NC1=CC=CC=C1 018860 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.40 C\C(=C/C1=CC=CC=C1)CO 531267 [0,1,0,0,0,0|0,0,0]=1 182 B11R1.40 NNC(=O)NC1=CC=CC=C1 358181 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.40 NNC(=S)NC1=CC=CC=C1 011215 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 M04116 [0,1,0,0,0,0|0,0,2]=3 185 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 317870 [0,1,0,0,0,0|0,0,2]=3 186 B11R1.40 N\C(CC1=CC=CC=C1)=N/O 033305 [0,1,0,0,0,0|1,0,1]=3 187 B11R1.40 N\C(CC1=NC=CC=C1)=N/O 098169 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.40 O=C(CBr)NC1=CC=CC=C1 080331 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.40 O=C(CBr)OC1=CC=CC=C1 235583 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.40 O=C(CC1=CC=CC=C1)NO 188889 [0,1,0,0,0,0|1,0,1]=3 191 B11R1.40 O=C(CCl)NC1=CC=CC=C1 307343 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 321306 [0,1,0,0,0,0|0,0,2]=3 193 B11R1.40 O[C@H](CCl)CC1=CC=CC=C1 036095 [0,1,0,0,0,0|1,0,2]=4 194 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 104115 [0,1,0,0,0,0|0,0,2]=3 195 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 234993 [0,1,0,0,0,0|0,0,2]=3 196 B11R1.91 CC(C)NCC1=CC=CC=C1 366623 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.91 CC(C)OCC1=CC=CC=C1 095354 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.91 CC(O)CCC1=CC=CC=C1 328963 [0,1,0,0,0,0|0,0,2]=3 199 B11R1.91 CC(O)COC1=CC=CC=C1 099908 [0,1,0,0,0,0|1,0,1]=3 200 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 240025 [0,1,0,0,0,0|0,0,2]=3 201 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 099114 [0,1,0,0,0,0|0,0,2]=3 202 B11R1.91 O=C(O)C#CC1=CC=CC=C1 046965 [0,1,0,0,0,0|0,0,3]=4 203 B11R1.91 O=C(O)CCC1=CC=CC=C1 216287 [0,1,0,0,0,0|0,0,3]=4 204 B11R1.91 O=C(O)CNC1=CC=CC=C1 011837 [0,1,0,0,0,0|1,0,2]=4 205 B11R1.91 O=C(O)COC1=CC=CC=C1 222559 [0,1,0,0,0,0|1,0,2]=4 206 B11R1.91 O=C(O)CSC1=CC=CC=C1 001321 [0,1,0,0,0,0|1,0,2]=4 207 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 209013 [0,1,0,0,0,0|0,0,1]=2 208 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 003424 [0,1,0,0,0,0|1,0,1]=3 209 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 009848 [0,1,0,0,0,0|1,0,1]=3 210 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 009847 [0,1,0,0,0,0|1,0,1]=3 211 B11R1.91 O=C(O)\C=C\c1ccccc1 195963 [0,1,0,0,0,0|0,0,1]=2 212 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 239114 [0,1,0,0,0,0|1,0,1]=3 213 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 303994 [0,1,0,0,0,0|1,0,0]=2 214 B11R2.1 CC1=CNC2=CC=CC=C12 068788 [0,0,0,1,0,0|2,0,1]=4 215 B11R2.1 CC1=COC2=CC=CC=C12 013629 [0,0,0,1,0,0|2,0,1]=4 216 B11R2.1 CC1=CSC2=CC=CC=C12 018819 [0,0,0,1,0,0|2,0,1]=4 217 B11R2.1 CC1CNC2=C1C=CC=C2 209516 [0,0,0,1,0,0|2,0,1]=4 218 B11R2.1 CN1C=CC2=C1C=CC=C2 208790 [0,0,0,1,0,0|2,0,0]=3 219 B11R2.1 CN1C=NC2=CC=CC=C21 222302 [0,0,0,1,0,0|3,0,0]=4 220 B11R2.1 NC1CCC2=C1C=CC=C2 219954 [0,0,0,1,0,0|1,0,2]=4 221 B11R2.1 OB1OCC2=C1C=CC=C2 107020 [0,0,0,1,0,0|2,0,1]=4 222 B11R2.1 OC1=NOC2=CC=CC=C21 017185 [0,0,0,1,0,0|2,0,1]=4 223 B11R2.1 OC1CCC2=CC=CC=C21 008845 [0,0,0,1,0,0|0,0,2]=3 224 B11R2.1 ON1N=NC2=C1C=CC=C2 M02875 [0,0,0,1,0,0|3,0,0]=4 225 B11R2.1 ON1N=NC2=CC=CC=C21 317839 [0,0,0,1,0,0|3,0,0]=4 226 B11R2.1 O[C@@H]1CCC2=CC=CC=C21 454961 [0,0,0,1,0,0|0,0,2]=3 227 B11R2.1 O[C@H]1CCC2=CC=CC=C21 106570 [0,0,0,1,0,0|0,0,2]=3 228 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 390375 [0,0,0,1,0,0|1,0,2]=4 229 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 227722 [0,0,0,1,0,0|2,0,0]=3 230 B11R2.20 C1=CC2=C(C=C1)CCCC2 075145 [0,0,0,1,0,0|1,0,2]=4 231 B11R2.20 C1=CC2=C(C=C1)CNCC2 040081 [0,0,0,1,0,0|2,0,1]=4 232 B11R2.20 C1=CC2=C(C=C1)NCCC2 040080 [0,0,0,1,0,0|1,0,2]=4 233 B11R2.20 C1=CC2=CN=CN=C2C=C1 078701 [0,0,0,1,0,0|2,0,1]=4 234 B11R2.20 C1=CC=C2C=CC=CC2=C1 240561 [0,0,0,1,0,0|1,0,1]=3 235 B11R2.20 C1=CC=C2COCCC2=C1 237176 [0,0,0,1,0,0|2,0,1]=4 236 B11R2.20 C1=CC=C2N=CC=CC2=C1 104868 [0,0,0,1,0,0|1,0,1]=3 237 B11R2.20 C1=CC=C2N=CC=CC2=C1 227698 [0,0,0,1,0,0|1,0,1]=3 238 B11R2.20 C1=CC=C2N=CC=NC2=C1 079216 [0,0,0,1,0,0|2,0,1]=4 239 B11R2.20 C1=CC=C2OCCNC2=C1 075546 [0,0,0,1,0,0|1,0,1]=3 240 B11R2.20 C1=CN=C2N=CC=CC2=C1 077859 [0,0,0,1,0,0|2,0,1]=4 241 B8R1.2 BrCC1=CC=CC=C1 003666 [2,0,0,0,0,0|1,0,0]=3 242 B8R1.2 BrCC1=CC=CN=C1 214585 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.2 BrCC1=CC=NC=C1 067829 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.2 BrCC1=NC=CC=C1 067831 [2,0,0,0,0,0|2,0,0]=4 245 B8R1.2 Br[Mg]C1=CC=CC=C1 103487 [2,0,0,0,0,0|2,0,0]=4 246 B8R1.2 Br[Mg]C1=CC=CC=C1 214282 [2,0,0,0,0,0|2,0,0]=4 247 B8R1.2 C#CC1=CC=CC=C1 003009 [2,0,0,0,0,0|0,0,2]=4 248 B8R1.2 C=CC1=CC=CC=C1 520455 [2,0,0,0,0,0|0,0,0]=2 249 B8R1.2 CCC1=CC=CC=C1 094632 [2,0,0,0,0,0|0,0,1]=3 250 B8R1.2 CCC1=CC=CC=N1 098941 [2,0,0,0,0,0|1,0,1]=4 251 B8R1.2 CCC1=CC=CN=C1 242838 [2,0,0,0,0,0|1,0,1]=4 252 B8R1.2 CCC1=CC=NC=C1 319885 [2,0,0,0,0,0|1,0,1]=4 253 B8R1.2 CC[N+]1=CC=CC=C1 046807 [2,0,0,0,0,0|1,0,1]=4 254 B8R1.2 CNC1=CC=CC=C1 094625 [2,0,0,0,0,0|1,0,0]=3 255 B8R1.2 CNC1=CC=CN=C1 079398 [2,0,0,0,0,0|2,0,0]=4 256 B8R1.2 CNC1=CC=NC=C1 208626 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.2 CNC1=NC=CC=C1 233304 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.2 COC1=CC=CC=C1 M03556 [2,0,0,0,0,0|1,0,0]=3 259 B8R1.2 COC1=CC=CN=C1 079847 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.2 COC1=CC=NC=C1 045194 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.2 COC1=NC=CC=C1 045214 [2,0,0,0,0,0|2,0,0]=4 262 B8R1.2 CSC1=CC=CC=C1 002945 [2,0,0,0,0,0|1,0,0]=3 263 B8R1.2 ClCC1=CC=CC=C1 106800 [2,0,0,0,0,0|1,0,0]=3 264 B8R1.2 ClCC1=CC=CC=N1 026180 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.2 ClCC1=CC=CN=C1 043884 [2,0,0,0,0,0|2,0,0]=4 266 B8R1.2 ClCC1=CC=NC=C1 050512 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.2 Cl[Hg]C1=CC=CC=C1 101463 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.2 Cl[Se]C1=CC=CC=C1 005554 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.2 N#CC1=CC=CC=C1 035786 [2,0,0,0,0,0|1,0,1]=4 270 B8R1.2 N#CC1=CC=CC=C1 102548 [2,0,0,0,0,0|1,0,1]=4 271 B8R1.2 NCC1=CC=CC=C1 098408 [2,0,0,0,0,0|1,0,0]=3 272 B8R1.2 NCC1=CC=CC=C1 241882 [2,0,0,0,0,0|1,0,0]=3 273 B8R1.2 NCC1=CC=CN=C1 078185 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.2 NCC1=CC=NC=C1 065475 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.2 NCC1=NC=CC=C1 009750 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.2 NNC1=CC=CC=C1 079470 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.2 NNC1=CC=CC=C1 098902 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.2 O=CC1=CC=CN=C1 065202 [2,0,0,0,0,0|1,0,1]=4 279 B8R1.2 O=CC1=CC=NC=C1 091501 [2,0,0,0,0,0|1,0,1]=4 280 B8R1.2 O=CC1=NC=CC=C1 065201 [2,0,0,0,0,0|1,0,1]=4 281 B8R1.2 O=NC1=CC=CC=C1 106182 [2,0,0,0,0,0|1,0,1]=4 282 B8R1.2 OCC1=CC=CC=C1 094986 [2,0,0,0,0,0|0,0,0]=2 283 B8R1.2 OCC1=CC=CC=C1 105725 [2,0,0,0,0,0|0,0,0]=2 284 B8R1.2 OCC1=CC=CN=C1 208628 [2,0,0,0,0,0|1,0,0]=3 285 B8R1.2 OCC1=CC=CN=N1 045003 [2,0,0,0,0,0|2,0,0]=4 286 B8R1.2 OCC1=CC=NC=C1 078602 [2,0,0,0,0,0|1,0,0]=3 287 B8R1.2 OCC1=NC=CC=C1 043374 [2,0,0,0,0,0|1,0,0]=3 288 B8R1.2 OCC1=NC=CC=N1 067743 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.2 SCC1=CC=CC=C1 098994 [2,0,0,0,0,0|0,1,0]=3 290 B8R1.2 [C-]#[N+]C1=CC=CC=C1 180012 [2,0,0,0,0,0|1,0,1]=4 291 B8R1.2 [O-]CC1=CC=CC=C1 105697 [2,0,0,0,0,0|0,0,1]=3 292 B10R1.1 CC1=CC=C(CCN)C=C1 018851 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.1 CC1=CC=C(CCO)C=C1 216320 [1,1,0,0,0,0|0,0,1]=3 294 B10R1.1 CC1=CC=C(NC=O)C=C1 180098 [1,1,0,0,0,0|1,0,1]=4 295 B10R1.1 CC1=CC=C(\C=N\O)C=C1 300271 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.1 CCCC1=CC=C(Cl)C=C1 018453 [1,1,0,0,0,0|0,0,2]=4 297 B10R1.1 CCCC1=CC=C(O)C=C1 068339 [1,1,0,0,0,0|0,0,2]=4 298 B10R1.1 CCOC1=CC=C(Br)C=C1 024186 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.1 CCOC1=CC=C(F)C=C1 006317 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.1 CCOC1=CC=C(I)C=C1 038701 [1,1,0,0,0,0|1,0,1]=4 301 B10R1.1 CCOC1=CC=C(N)C=C1 230478 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.1 CCOC1=CC=C(O)C=C1 049967 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.1 CCSC1=CC=C(C)C=C1 094757 [1,1,0,0,0,0|1,0,1]=4 304 B10R1.1 CCSC1=CC=C(Cl)C=C1 094917 [1,1,0,0,0,0|1,0,1]=4 305 B10R1.1 CCSC1=CC=C(F)C=C1 094569 [1,1,0,0,0,0|1,0,1]=4 306 B10R1.1 CNCC1=CC=C(Br)C=C1 076658 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.1 CNCC1=CC=C(C)C=C1 078911 [1,1,0,0,0,0|1,0,1]=4 308 B10R1.1 CNCC1=CC=C(F)C=C1 040105 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.1 COCC1=CC=C(Br)C=C1 325028 [1,1,0,0,0,0|1,0,1]=4 310 B10R1.1 ClC1=CC=C(CCBr)C=C1 020895 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.1 FC1=CC=C(CCBr)C=C1 020897 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.1 FC1=CC=C(CCCl)C=C1 010403 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.1 NC1=CC=C(CCO)C=C1 005442 [1,1,0,0,0,0|0,0,1]=3 314 B10R1.1 NCCC1=CC=C(Br)C=C1 013456 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.1 NCCC1=CC=C(Br)C=C1 018305 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.1 NCCC1=CC=C(Cl)C=C1 008894 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.1 NCCC1=CC=C(F)C=C1 040108 [1,1,0,0,0,0|1,0,1]=4 318 B10R1.1 NCCC1=CC=C(F)C=C1 240692 [1,1,0,0,0,0|1,0,1]=4 319 B10R1.1 NCCC1=CC=C(N)C=C1 040089 [1,1,0,0,0,0|1,0,1]=4 320 B10R1.1 NCCC1=CC=C(O)C=C1 078887 [1,1,0,0,0,0|1,0,1]=4 321 B10R1.1 NCCC1=CC=C(O)C=C1 241212 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.1 OCCC1=CC=C(Br)C=C1 040529 [1,1,0,0,0,0|0,0,1]=3 323 B10R1.1 OCCC1=CC=C(Cl)C=C1 209207 [1,1,0,0,0,0|0,0,1]=3 324 B10R1.1 OCCC1=CC=C(F)C=C1 006315 [1,1,0,0,0,0|0,0,1]=3 325 B10R1.1 OCCC1=CC=C(I)C=C1 078447 [1,1,0,0,0,0|0,0,1]=3 326 B10R1.1 OCCC1=CC=C(O)C=C1 077935 [1,1,0,0,0,0|0,0,1]=3 327 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 217622 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.1 O\N=C\C1=CC=C(F)C=C1 011169 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.4 C=CCC1=C(O)C=CC=C1 520493 [1,1,0,0,0,0|0,0,2]=4 330 B10R1.4 CC1=C(CCN)C=CC=C1 018849 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.4 CC1=C(CCN)C=CC=C1 094128 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.4 CC1=CC=CC=C1CCO 243106 [1,1,0,0,0,0|0,0,1]=3 333 B10R1.4 CC1=CC=CC=C1NC=O 180097 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.4 CC1=CC=CN=C1CCO 032581 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.4 CCNC1=C(F)C=CC=C1 017358 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.4 CCNC1=CC=CC=C1C 243028 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.4 CCOC1=C(Br)C=CC=C1 239298 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.4 CCOC1=C(C)C=CC=C1 095339 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.4 CCOC1=C(F)C=CC=C1 006316 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.4 CCOC1=C(N)C=CC=C1 044850 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.4 CCOC1=CC=CC=C1O 216685 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.4 CCSC1=C(Cl)C=CC=C1 094570 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.4 CNCC1=CC=CC=C1F 077128 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.4 COCC1=CC=CC=C1Br 233857 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.4 NCCC1=C(Cl)C=CC=C1 008893 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.4 NCCC1=C(F)C=CC=C1 044800 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.4 NCCC1=CC=CC=C1Br 067221 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.4 O=CNC1=C(Br)C=CC=C1 530777 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.4 OCCC1=C(F)C=CC=C1 006314 [1,1,0,0,0,0|0,0,1]=3 350 B10R1.4 OCCC1=CC=CC=C1Br 210426 [1,1,0,0,0,0|0,0,1]=3 351 B10R1.4 OCCC1=CC=CC=C1Cl 329148 [1,1,0,0,0,0|0,0,1]=3 352 B10R1.4 OCCC1=CC=CC=C1O 215704 [1,1,0,0,0,0|0,0,1]=3 353 B10R1.10 C=CCC1=CC=CC(Cl)=C1 022313 [1,1,0,0,0,0|0,0,2]=4 354 B10R1.10 C=CCC1=CC=CC(F)=C1 022325 [1,1,0,0,0,0|0,0,2]=4 355 B10R1.10 CC1=CC=CC(CCO)=C1 068240 [1,1,0,0,0,0|0,0,1]=3 356 B10R1.10 CCCC1=CC=CC(O)=C1 431370 [1,1,0,0,0,0|0,0,2]=4 357 B10R1.10 CCNC1=CC=CC(C)=C1 216666 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.10 CCOC1=CC(C)=CC=C1 095135 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.10 CCSC1=CC(Br)=CC=C1 094879 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.10 CNCC1=CC=CC(C)=C1 224541 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.10 CNCC1=CC=CC(F)=C1 077129 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.10 COCC1=CC(Br)=CC=C1 235324 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.10 ClC1=CC=CC(CCBr)=C1 020894 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.10 NCCC1=CC=CC(Br)=C1 048827 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.10 NCCC1=CC=CC(Cl)=C1 018421 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.10 NCCC1=CC=CC(F)=C1 040107 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.10 NCCC1=CC=CC(O)=C1 009950 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.10 OCCC1=CC(O)=CC=C1 092020 [1,1,0,0,0,0|0,0,1]=3 369 B10R1.10 OCCC1=CC=CC(Br)=C1 092240 [1,1,0,0,0,0|0,0,1]=3 370 B10R1.10 OCCC1=CC=CC(Cl)=C1 078742 [1,1,0,0,0,0|0,0,1]=3 371 B10R1.10 OCCC1=CC=CC(F)=C1 010684 [1,1,0,0,0,0|0,0,1]=3 372 B10R1.15 C(=O)C(C)C1=CC=CC=C1 003859 [1,1,0,0,0,0|0,0,2]=4 373 B10R1.15 CC(CN)C1=CC=CC=C1 008888 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.15 CCC(=O)C1=CC=CC=C1 094675 [1,1,0,0,0,0|0,0,1]=3 375 B10R1.15 CCC(=O)C1=CC=CN=C1 494152 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.15 CCC(=O)C1=CC=NC=C1 218389 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.15 CCC(C)C1=CC=CC=C1 094615 [1,1,0,0,0,0|0,0,2]=4 378 B10R1.15 CCC(O)C1=CC=CC=C1 242652 [1,1,0,0,0,0|0,0,2]=4 379 B10R1.15 CCN(C)C1=CC=CC=C1 092421 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 208825 [1,1,0,0,0,0|0,0,2]=4 381 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 103637 [1,1,0,0,0,0|0,0,2]=4 382 B10R1.15 CC[C@H](N)C1=CC=CC=C1 227613 [1,1,0,0,0,0|0,0,2]=4 383 B10R1.15 CN(C=O)C1=CC=CC=C1 208822 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.15 CNC(=O)C1=CC=CC=C1 341719 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.15 CNC(=O)C1=CC=CN=C1 180107 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.15 CNC(=S)C1=CC=CC=C1 180197 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.15 CNC(C)C1=CC=CC=C1 371108 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.15 CN[C@H](C)C1=CC=CC=C1 337064 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.15 COC(=O)C1=CC=CC=C1 223218 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.15 COC(=O)C1=CC=NC=C1 040095 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.15 COC(=O)C1=CN=CC=C1 078909 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.15 COC(=O)C1=NC=CC=C1 078704 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.15 COS(=O)C1=CC=CC=C1 023251 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.15 C\C(=N/O)C1=CC=CN=C1 075987 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.15 C\C(=N/O)C1=CC=NC=C1 076004 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.15 C\C(=N/O)C1=NC=CC=C1 075986 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.15 N#CC(=O)C1=CC=CC=C1 241276 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.15 NC(CO)C1=CC=CC=C1 364268 [1,1,0,0,0,0|0,0,1]=3 399 B10R1.15 NCC(=O)C1=CC=CC=C1 040292 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.15 NCC(O)C1=CC=CC=C1 008897 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 318280 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.15 NC[C@H](O)C1=CC=CC=C1 077860 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.15 NNC(=O)C1=CC=CC=C1 227678 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 040100 [1,1,0,0,0,0|0,0,1]=3 405 B10R1.15 N[C@H](CO)C1=CC=CC=C1 034311 [1,1,0,0,0,0|0,0,1]=3 406 B10R1.15 N\C(=N/O)C1=CC=CC=C1 067963 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.15 N\C(=N/O)C1=CC=CC=C1 097873 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.15 N\C(=N/O)C1=CC=CC=N1 017302 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.15 N\C(=N/O)C1=CC=CN=C1 017303 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.15 N\C(=N\O)C1=CC=CC=C1 106200 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.15 N\C(=N\O)C1=CC=NC=C1 017299 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.15 O=C(CBr)C1=CC=CC=C1 040508 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.15 O=C(CBr)C1=CC=CN=C1 005885 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.15 O=C(CBr)C1=CC=NC=C1 017122 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.15 O=C(CBr)C1=NC=CC=C1 005884 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.15 O=C(CCl)C1=CC=CC=C1 228091 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.15 O=C(CO)C1=CC=CC=C1 219236 [1,1,0,0,0,0|0,0,0]=2 418 B10R1.15 O=C(NO)C1=CC=CC=C1 317419 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.15 O=CC(=O)C1=CC=CC=C1 454875 [1,1,0,0,0,0|0,0,1]=3 420 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 103828 [1,1,0,0,0,0|1,0,1]=4 421 B10R1.18 CC(=O)NC1=CC=CC=C1 098888 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.18 CC(=O)NC1=CC=CC=C1 236729 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.18 CC(=O)NC1=CC=CN=C1 032565 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.18 CC(=O)NC1=CC=NC=C1 235412 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.18 CC(=O)OC1=CC=CC=C1 106321 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.18 CC(=O)SC1=CC=CC=C1 180205 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.18 CC(Br)CC1=CC=CC=C1 243231 [1,1,0,0,0,0|0,0,2]=4 428 B10R1.18 CC(C)NC1=CC=CC=C1 079480 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.18 CC(C)OC1=CC=CC=C1 038454 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.18 CC(O)CC1=CC=CC=C1 339985 [1,1,0,0,0,0|0,0,1]=3 431 B10R1.18 CN(C)CC1=CC=CC=C1 102405 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 036085 [1,1,0,0,0,0|0,0,1]=3 433 B10R1.18 C[C@H](O)CC1=CC=CC=C1 036086 [1,1,0,0,0,0|0,0,1]=3 434 B10R1.18 N=C(O)NC1=CC=CC=C1 364335 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.18 NC(=O)CC1=CC=CC=C1 018952 [1,1,0,0,0,0|0,0,2]=4 436 B10R1.18 NC(=O)OC1=CC=CC=C1 180113 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.18 NC(=S)CC1=CC=CC=C1 047341 [1,1,0,0,0,0|0,1,1]=4 438 B10R1.18 NC(=S)NC1=CC=CC=C1 358215 [1,1,0,0,0,0|1,1,0]=4 439 B10R1.18 O=C(Cl)CC1=CC=CC=C1 099401 [1,1,0,0,0,0|0,0,2]=4 440 B10R1.18 O=C(Cl)OC1=CC=CC=C1 235668 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.18 O=C(Cl)SC1=CC=CC=C1 015276 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.18 O=C(O)CC1=CC=CN=C1 066081 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.18 O=C(O)CC1=CC=CN=C1 076680 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.18 O=C(O)CC1=CC=NC=C1 001787 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.18 O=C(O)CC1=NC=CC=C1 066003 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 180385 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.18 S=C(Cl)OC1=CC=CC=C1 046963 [1,1,0,0,0,0|1,1,0]=4 448 B10R1.18 S=C(Cl)SC1=CC=CC=C1 239805 [1,1,0,0,0,0|1,1,0]=4 449 B10R1.66 O=C(O)\C=C\C1=CC=CO1 099099 [0,1,0,0,1,0|1,0,1]=4 450 B10R1.66 O=C(O)\C=C\C1=CC=CS1 018999 [0,1,0,0,1,0|1,0,1]=4 451 B12R1.1 COCCOC1=CC=C(Br)C=C1 472903 [0,2,0,0,0,0|1,0,1]=4 452 B12R1.1 COCCSC1=CC=C(Br)C=C1 102411 [0,2,0,0,0,0|1,0,1]=4 453 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 242531 [0,2,0,0,0,0|1,0,1]=4 454 B12R1.16 CCCC(=O)C1=CC=C(Cl)C=C1 103303 [0,2,0,0,0,0|1,0,1]=4 455 B12R1.16 CCCC(=O)C1=CC=C(N)C=C1 002497 [0,2,0,0,0,0|1,0,1]=4 456 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 046141 [0,2,0,0,0,0|1,0,1]=4 457 B12R1.16 CCNC(=O)C1=CC=C(Br)C=C1 080303 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 078889 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 235782 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 006108 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 005465 [0,2,0,0,0,0|2,0,0]=4 462 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 037356 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 209419 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.16 N#C\C=C(/Cl)C1=CC=C(Cl)C=C1 019560 [0,2,0,0,0,0|1,0,1]=4 465 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 040399 [0,2,0,0,0,0|0,0,2]=4 466 B12R1.16 N[C@H](CCO)C1=CC=C(Cl)C=C1 034404 [0,2,0,0,0,0|0,0,2]=4 467 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 002958 [0,2,0,0,0,0|1,0,1]=4 468 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 001742 [0,2,0,0,0,0|1,0,1]=4 469 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 046849 [0,2,0,0,0,0|0,0,1]=3 470 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 104178 [0,2,0,0,0,0|0,0,1]=3 471 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 239541 [0,2,0,0,0,0|0,0,1]=3 472 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 464926 [0,2,0,0,0,0|0,0,1]=3 473 B12R1.21 O=C(Cl)\C=C\C1=CC=C(F)C=C1 014744 [0,2,0,0,0,0|0,0,2]=4 474 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 001109 [0,2,0,0,0,0|0,0,1]=3 475 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 001144 [0,2,0,0,0,0|0,0,1]=3 476 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 001180 [0,2,0,0,0,0|0,0,1]=3 477 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 076727 [0,2,0,0,0,0|0,0,1]=3 478 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 195783 [0,2,0,0,0,0|0,0,1]=3 479 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(Br)C=C1 454357 [0,2,0,0,0,0|1,0,1]=4 480 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(F)C=C1 006306 [0,2,0,0,0,0|1,0,1]=4 481 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(O)C=C1 018725 [0,2,0,0,0,0|1,0,1]=4 482 B12R1.49 CC1=CC=C(C\C(N)=N\O)C=C1 098049 [0,2,0,0,0,0|1,0,1]=4 483 B12R1.49 CCC(=O)OC1=CC=C(Br)C=C1 043371 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.49 N\C(CC1=CC=C(Br)C=C1)=N\O 011107 [0,2,0,0,0,0|1,0,1]=4 485 B12R1.49 N\C(CC1=CC=C(F)C=C1)=N/O 098048 [0,2,0,0,0,0|1,0,1]=4 486 B12R1.49 O=C(CBr)NC1=CC=C(Br)C=C1 368213 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 004368 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.69 OCCOC1=C(Cl)C=C(Cl)C=C1 018531 [0,2,0,0,0,0|1,0,1]=4 489 B12R1.69 OCCSC1=C(Cl)C=C(Cl)C=C1 019390 [0,2,0,0,0,0|1,0,1]=4 490 B12R1.69 OCCSC1=C(F)C=C(F)C=C1 019397 [0,2,0,0,0,0|1,0,1]=4 491 B12R1.71 COC1=CC=C(CCCO)C=C1 463295 [0,2,0,0,0,0|0,0,2]=4 492 B12R1.71 COC1=CC=C(SCCO)C=C1 019386 [0,2,0,0,0,0|1,0,1]=4 493 B12R1.71 COC1=CC=C(\C=C\C#N)C=C1 106456 [0,2,0,0,0,0|1,0,1]=4 494 B12R1.71 COC1=CC=C(\C=C\C=O)C=C1 103214 [0,2,0,0,0,0|0,0,2]=4 495 B12R1.385 OCCSC1=CC(Cl)=C(Cl)C=C1 019393 [0,2,0,0,0,0|1,0,1]=4 496 B12R1.3 CCN(CCO)C1=CC=CC=C1 228743 [0,2,0,0,0,0|1,0,1]=4 497 B12R1.17 CCNC(=O)C1=CC(Br)=CC=C1 094001 [0,2,0,0,0,0|2,0,0]=4 498 B12R1.17 CCOC(=O)C1=CC(Br)=CC=C1 139301 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.17 CCOC(=O)C1=CC(F)=CC=C1 006107 [0,2,0,0,0,0|2,0,0]=4 500 B12R1.17 CCOC(=O)C1=CC(I)=CC=C1 038712 [0,2,0,0,0,0|2,0,0]=4 501 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 236969 [0,2,0,0,0,0|2,0,0]=4 502 B12R1.17 CCOC(=O)C1=CC=CC(Cl)=C1 092105 [0,2,0,0,0,0|2,0,0]=4 503 B12R1.17 CCOC(=O)C1=CC=CC(N)=C1 229713 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.17 CCOC(=O)C1=CC=CC(O)=C1 079871 [0,2,0,0,0,0|2,0,0]=4 505 B12R1.30 C#CCOC(=O)C1=CC=CC=C1 238055 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.30 CCCCC(=O)C1=CC=CC=C1 242807 [0,2,0,0,0,0|1,0,1]=4 507 B12R1.30 CCCNC(=O)C1=CC=CC=C1 104632 [0,2,0,0,0,0|1,0,1]=4 508 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 209363 [0,2,0,0,0,0|2,0,0]=4 509 B12R1.34 C\C(=N/O)C(=O)C1=CC=CC=C1 320741 [0,2,0,0,0,0|1,0,0]=3 510 B12R1.39 O=S(=O)(CCO)C1=CC=CC=C1 003120 [0,2,0,0,0,0|1,0,1]=4 511 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 229777 [0,2,0,0,0,0|1,0,1]=4 512 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 209348 [0,2,0,0,0,0|2,0,0]=4 513 B12R1.107 C\C(N)=C\C(=O)C1=CC=CC=C1 185695 [0,2,0,0,0,0|1,0,1]=4 514 B12R1.308 CCNC(=O)C1=C(Br)C=CC=C1 094000 [0,2,0,0,0,0|2,0,0]=4 515 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 003723 [0,2,0,0,0,0|2,0,0]=4 516 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 006106 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 038707 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.308 CCOC(=O)C1=CC=CC=C1Cl 243036 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.308 CCOC(=O)C1=CC=CC=C1O 240949 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.308 CCOC(=S)C1=CC=CC=C1O 097589 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.25 OCCSC1=C(Cl)C(Cl)=CC=C1 019389 [0,2,0,0,0,0|1,0,1]=4 522 B12R1.121 COC1=C(SCCO)C=CC=C1 019395 [0,2,0,0,0,0|1,0,1]=4 523 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O 340690 [0,2,0,0,0,0|0,0,1]=3 524 B12R1.125 NC(=O)\C=C\C1=C(F)C=CC=C1 102686 [0,2,0,0,0,0|0,0,2]=4 525 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1F 014739 [0,2,0,0,0,0|0,0,2]=4 526 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 001107 [0,2,0,0,0,0|0,0,1]=3 527 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 001142 [0,2,0,0,0,0|0,0,1]=3 528 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F 001440 [0,2,0,0,0,0|0,0,1]=3 529 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O 375171 [0,2,0,0,0,0|0,0,1]=3 530 B12R1.125 O=[N+]([O-])\C=C\C1=C(F)C=CC=C1 006305 [0,2,0,0,0,0|1,0,1]=4 531 B12R1.125 O=[N+]([O-])\C=C\C1=CC=CC=C1Cl 241709 [0,2,0,0,0,0|1,0,1]=4 532 B12R1.267 COCCOC1=C(Br)C=CC=C1 465864 [0,2,0,0,0,0|1,0,1]=4 533 B12R1.267 COCCOC1=C(N)C=CC=C1 060092 [0,2,0,0,0,0|1,0,1]=4 534 B12R1.267 COCCSC1=C(Br)C=CC=C1 102384 [0,2,0,0,0,0|1,0,1]=4 535 B12R1.371 CC1=CC=CC=C1NC(=O)CCl 026033 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.371 O=C(CCl)NC1=CC=CC=C1Cl 365264 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.374 OCCSC1=C(Cl)C=CC(Cl)=C1 019391 [0,2,0,0,0,0|1,0,1]=4 538 B12R1.1631 CC1=CC=CC(C)=C1SCCO 019383 [0,2,0,0,0,0|1,0,1]=4 539 B12R1.1631 OCCSC1=C(Cl)C=CC=C1Cl 019392 [0,2,0,0,0,0|1,0,1]=4 540 B12R1.28 COCCOC1=CC=CC(Br)=C1 095036 [0,2,0,0,0,0|1,0,1]=4 541 B12R1.50 O=C(CCl)NC1=CC(F)=CC=C1 004367 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.100 OCCSC1=CC(Cl)=CC(Cl)=C1 019394 [0,2,0,0,0,0|1,0,1]=4 543 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 239535 [0,2,0,0,0,0|0,0,1]=3 544 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 001108 [0,2,0,0,0,0|0,0,1]=3 545 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 358032 [0,2,0,0,0,0|0,0,1]=3 546 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 209894 [0,2,0,0,0,0|0,0,1]=3 547 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 001441 [0,2,0,0,0,0|0,0,1]=3 548 B12R1.226 O=[N+]([O-])\C=C\C1=CC(F)=CC=C1 240147 [0,2,0,0,0,0|1,0,1]=4 549 B12R1.382 COC1=CC=CC(SCCO)=C1 019380 [0,2,0,0,0,0|1,0,1]=4 550 B12R1.382 O=CC1=CC=CC(OCCO)=C1 059656 [0,2,0,0,0,0|1,0,1]=4 551 B12R1.8 OCCCCCC1=CC=CC=C1 242471 [0,2,0,0,0,0|0,0,2]=4 552 B12R1.8 OCCCOCC1=CC=CC=C1 224650 [0,2,0,0,0,0|0,0,2]=4 553 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 209319 [0,2,0,0,0,0|0,0,1]=3 554 B12R1.27 NCC(=O)OCC1=CC=CC=C1 038264 [0,2,0,0,0,0|1,0,1]=4 555 B12R1.27 NCC(=O)OCC1=CC=CC=C1 M03020 [0,2,0,0,0,0|1,0,1]=4 556 B12R1.27 NCC(O)COC1=CC=CC=C1 471059 [0,2,0,0,0,0|1,0,1]=4 557 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 080332 [0,2,0,0,0,0|1,0,1]=4 558 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 057933 [0,2,0,0,0,0|1,0,1]=4 559 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 320035 [0,2,0,0,0,0|1,0,1]=4 560 B12R1.27 O=C(CO)OCC1=CC=CC=C1 243220 [0,2,0,0,0,0|0,0,1]=3 561 B12R1.27 OCC(O)COC1=CC=CC=C1 001784 [0,2,0,0,0,0|0,0,2]=4 562 B12R1.32 CCNC(=O)NC1=CC=CC=C1 342140 [0,2,0,0,0,0|2,0,0]=4 563 B12R1.32 CCOC(=O)NC1=CC=CC=C1 018973 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.32 CN(CCO)CC1=CC=CC=C1 214692 [0,2,0,0,0,0|0,0,2]=4 565 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 066637 [0,2,0,0,0,0|1,0,1]=4 566 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 242318 [0,2,0,0,0,0|0,0,2]=4 567 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 242317 [0,2,0,0,0,0|0,0,2]=4 568 B12R1.252 O=C(O)CCCC1=CC=CC=C1 214820 [0,2,0,0,0,0|0,0,2]=4 569 B12R1.252 O=C(O)CCNC1=CC=CC=C1 387000 [0,2,0,0,0,0|1,0,1]=4 570 B12R1.252 O=C(O)CCSC1=CC=CC=C1 065695 [0,2,0,0,0,0|1,0,1]=4 571 B12R1.252 O=C(O)CNCC1=CC=CC=C1 011446 [0,2,0,0,0,0|1,0,1]=4 572 B12R1.252 O=C(O)CSCC1=CC=CC=C1 003688 [0,2,0,0,0,0|1,0,1]=4 573 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O 209321 [0,2,0,0,0,0|0,0,2]=4 574 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 241185 [0,2,0,0,0,0|0,0,1]=3 575 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 209399 [0,2,0,0,0,0|0,0,2]=4 576 B12R1.118 N#CC(C#N)=CC1=CC=CC=C1 235863 [0,2,0,0,0,0|1,0,1]=4 577 B10R1.30 CC1=C(CO)C=C(F)C=C1 005795 [0,0,1,1,0,0|1,0,1]=4 578 B10R1.30 CC1=CC(CO)=C(O)C=C1 104296 [0,0,1,1,0,0|1,0,1]=4 579 B10R1.30 CC1=CC=C(N)C(CO)=C1 338195 [0,0,1,1,0,0|1,0,1]=4 580 B10R1.30 NC1=CC=C(Cl)C=C1CO 242435 [0,0,1,1,0,0|2,0,0]=4 581 B10R1.30 OCC1=C(Br)C=CC(Cl)=C1 033229 [0,0,1,1,0,0|2,0,0]=4 582 B10R1.30 OCC1=C(Br)C=CC(F)=C1 013216 [0,0,1,1,0,0|2,0,0]=4 583 B10R1.30 OCC1=C(Cl)C=CC(F)=C1 005624 [0,0,1,1,0,0|2,0,0]=4 584 B10R1.30 OCC1=C(F)C=CC(Br)=C1 013220 [0,0,1,1,0,0|2,0,0]=4 585 B10R1.30 OCC1=C(F)C=CC(Cl)=C1 005627 [0,0,1,1,0,0|2,0,0]=4 586 B10R1.30 OCC1=C(F)C=CC(F)=C1 001938 [0,0,1,1,0,0|2,0,0]=4 587 B10R1.30 OCC1=CC(Br)=CC=C1Cl 220023 [0,0,1,1,0,0|2,0,0]=4 588 B10R1.30 OCC1=CC(Cl)=CC=C1Cl 329563 [0,0,1,1,0,0|2,0,0]=4 589 B10R1.30 OCC1=CC(Cl)=CC=C1O 018378 [0,0,1,1,0,0|2,0,0]=4 590 B10R1.20 C=CC1=CC=CC=C1C=C 245965 [0,0,1,1,0,0|1,0,1]=4 591 B10R1.172 COC1=CC(CO)=CC=C1 235697 [0,0,1,1,0,0|1,0,1]=4 592 B10R1.172 N#CC1=CC(CO)=CC=C1 208807 [0,0,1,1,0,0|1,0,1]=4 593 B10R1.172 OCC1=CC=CC(CO)=C1 463279 [0,0,1,1,0,0|1,0,1]=4 594 B10R2.6 C1=CC=C(C2CC2)C=C1 049412 [1,0,0,1,0,0|0,0,2]=4 595 B10R2.6 C1=CC=C(C2CO2)C=C1 227689 [1,0,0,1,0,0|0,0,1]=3 596 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 221507 [1,0,0,1,0,0|0,0,1]=3 597 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 223292 [1,0,0,1,0,0|0,0,1]=3 598 B10R2.7 C1=CC2=C(C=C1)CC=C2 358247 [1,0,0,1,0,0|0,0,0]=2 599 B10R2.7 C1=CC2=C(C=C1)CCC2 046831 [1,0,0,1,0,0|0,0,2]=4 600 B10R2.7 C1=CC2=C(C=C1)NN=C2 044571 [1,0,0,1,0,0|2,0,0]=4 601 B10R2.7 C1=CC2=C(C=CN2)N=C1 036833 [1,0,0,1,0,0|2,0,0]=4 602 B10R2.7 C1=CC2=CC=NC=C2N1 040034 [1,0,0,1,0,0|2,0,0]=4 603 B10R2.7 C1=CC2=CN=CC=C2N1 040035 [1,0,0,1,0,0|2,0,0]=4 604 B10R2.7 C1=CC=C2CNCC2=C1 041927 [1,0,0,1,0,0|1,0,1]=4 605 B10R2.7 C1=CC=C2NC=CC2=C1 068792 [1,0,0,1,0,0|1,0,0]=3 606 B10R2.7 C1=CC=C2NC=NC2=C1 235007 [1,0,0,1,0,0|2,0,0]=4 607 B10R2.7 C1=CC=C2NCCC2=C1 068790 [1,0,0,1,0,0|1,0,1]=4 608 B10R2.7 C1=CC=C2OC=CC2=C1 078727 [1,0,0,1,0,0|0,0,0]=2 609 B10R2.7 C1=CC=C2OC=NC2=C1 078910 [1,0,0,1,0,0|1,0,0]=3 610 B10R2.7 C1=CC=C2OCCC2=C1 017117 [1,0,0,1,0,0|0,0,1]=3 611 B10R2.7 C1=CC=C2OCOC2=C1 022089 [1,0,0,1,0,0|1,0,0]=3 612 B10R2.7 C1=CC=C2SC=CC2=C1 003497 [1,0,0,1,0,0|0,1,0]=3 613 B10R2.7 C1=CC=C2SC=NC2=C1 093451 [1,0,0,1,0,0|1,1,0]=4 614 B10R2.7 C1=CN=C2NC=CC2=C1 032720 [1,0,0,1,0,0|2,0,0]=4 615 B12R2.24 BrC1=CC2=C(C=CC=C2)N=C1 044937 [0,1,0,1,0,0|1,0,1]=4 616 B12R2.24 BrC1=CC2=C(C=CN=C2)C=C1 038558 [0,1,0,1,0,0|2,0,0]=4 617 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 077976 [0,1,0,1,0,0|1,0,1]=4 618 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 076676 [0,1,0,1,0,0|1,0,1]=4 619 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 036991 [0,1,0,1,0,0|2,0,0]=4 620 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 067503 [0,1,0,1,0,0|1,0,1]=4 621 B12R2.24 BrC1=CC=C2NCCOC2=C1 079243 [0,1,0,1,0,0|1,0,1]=4 622 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 076108 [0,1,0,1,0,0|1,0,1]=4 623 B12R2.24 CC1=CC2=C(C=C1)C=NC=C2 208923 [0,1,0,1,0,0|2,0,0]=4 624 B12R2.24 CC1=CC=C2C=CC=CC2=C1 216647 [0,1,0,1,0,0|1,0,1]=4 625 B12R2.24 CC1=NC2=CC=CC=C2C=C1 078623 [0,1,0,1,0,0|1,0,1]=4 626 B12R2.24 ClC1=CC2=CC=CN=C2C=C1 049700 [0,1,0,1,0,0|1,0,1]=4 627 B12R2.24 IC1=CC2=C(C=CC=C2)C=C1 238872 [0,1,0,1,0,0|1,0,1]=4 628 B12R2.24 NC1=CC2=C(C=C1)OCCO2 008859 [0,1,0,1,0,0|1,0,1]=4 629 B12R2.24 NC1=CC2=CC=CC=C2N=C1 064971 [0,1,0,1,0,0|1,0,1]=4 630 B12R2.24 NC1=CC2=CC=CN=C2C=C1 045222 [0,1,0,1,0,0|1,0,1]=4 631 B12R2.24 NC1=CC=C2C=CC=CC2=C1 079046 [0,1,0,1,0,0|1,0,1]=4 632 B12R2.24 NC1=CC=C2C=NC=CC2=C1 036790 [0,1,0,1,0,0|2,0,0]=4 633 B12R2.24 NC1=NC2=CC=CC=C2C=C1 105400 [0,1,0,1,0,0|1,0,1]=4 634 B12R2.24 O=C1C=C2C=CC=CC2=CN1 208952 [0,1,0,1,0,0|2,0,0]=4 635 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 358402 [0,1,0,1,0,0|0,0,2]=4 636 B12R2.24 O=C1C=CC2=CC=CC=C2O1 239149 [0,1,0,1,0,0|0,0,1]=3 637 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 012252 [0,1,0,1,0,0|1,0,1]=4 638 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 047953 [0,1,0,1,0,0|2,0,0]=4 639 B12R2.24 O=C1CCC2=CC=CC=C2O1 236946 [0,1,0,1,0,0|2,0,0]=4 640 B12R2.24 O=C1CNC2=CC=CC=C2N1 015374 [0,1,0,1,0,0|2,0,0]=4 641 B12R2.24 O=C1COC2=CC=CC=C2N1 012228 [0,1,0,1,0,0|1,0,0]=3 642 B12R2.24 O=C1CSC2=CC=CC=C2N1 011093 [0,1,0,1,0,0|1,1,0]=4 643 B12R2.24 OC1=CC2=CC=CC=C2N=C1 076701 [0,1,0,1,0,0|1,0,1]=4 644 B12R2.24 OC1=CC=C2C=CC=CC2=C1 235727 [0,1,0,1,0,0|0,0,1]=3 645 B12R2.24 OC1=CC=C2C=CC=NC2=C1 076325 [0,1,0,1,0,0|1,0,1]=4 646 B12R2.24 OC1=CC=C2C=CN=CC2=C1 068840 [0,1,0,1,0,0|1,0,1]=4 647 B12R2.24 OC1=CC=C2N=CC=CC2=C1 076700 [0,1,0,1,0,0|1,0,1]=4 648 B12R2.24 SC1=CC=C2C=CC=CC2=C1 227409 [0,1,0,1,0,0|0,1,1]=4 649 B12R2.2 C1=CC=C(C2=CN=CS2)C=C1 209295 [0,1,0,1,0,0|0,1,1]=4 650 B12R2.2 C1=CC=C(C2=CNC=N2)C=C1 208941 [0,1,0,1,0,0|1,0,1]=4 651 B12R2.2 C1=CC=C(C2=CNN=N2)C=C1 036926 [0,1,0,1,0,0|2,0,0]=4 652 B12R2.2 C1=CC=C(C2=CSN=N2)C=C1 316731 [0,1,0,1,0,0|2,0,0]=4 653 B12R2.2 C1=CC=C(C2=NC=CN2)C=C1 208942 [0,1,0,1,0,0|1,0,1]=4 654 B12R2.2 C1=CC=C(C2=NCCN2)C=C1 232941 [0,1,0,1,0,0|1,0,1]=4 655 B12R2.2 C1=CC=C(C2=NN=CO2)C=C1 216488 [0,1,0,1,0,0|1,0,1]=4 656 B12R2.2 C1=CC=C(C2=NNC=C2)C=C1 017112 [0,1,0,1,0,0|1,0,1]=4 657 B12R2.2 C1=CC=C(C2=NOC=C2)C=C1 033649 [0,1,0,1,0,0|0,0,1]=3 658 B12R2.2 C1=CC=C(N2C=CC=C2)C=C1 458341 [0,1,0,1,0,0|1,0,1]=4 659 B12R2.2 C1=CC=C(N2C=CN=C2)C=C1 002610 [0,1,0,1,0,0|2,0,0]=4 660 B12R2.1081 BrC1=C2C=CC=CC2=CC=C1 222044 [0,1,0,1,0,0|1,0,1]=4 661 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 040578 [0,1,0,1,0,0|1,0,1]=4 662 B12R2.1081 BrC1=CC=CC2=C1C=CN=C2 038557 [0,1,0,1,0,0|2,0,0]=4 663 B12R2.1081 BrC1=CC=CC2=C1C=NC=C2 038559 [0,1,0,1,0,0|2,0,0]=4 664 B12R2.1081 BrC1=CC=CC2=NC=CC=C12 048864 [0,1,0,1,0,0|1,0,1]=4 665 B12R2.1081 BrC1=CC=NC2=C1C=CC=C2 048863 [0,1,0,1,0,0|1,0,1]=4 666 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 067513 [0,1,0,1,0,0|1,0,1]=4 667 B12R2.1081 CC1=C2N=CC=CC2=CC=C1 001208 [0,1,0,1,0,0|1,0,1]=4 668 B12R2.1081 CC1=CC=CC2=CC=CC=C12 099064 [0,1,0,1,0,0|1,0,1]=4 669 B12R2.1081 CC1=CC=NC2=CC=CC=C12 079132 [0,1,0,1,0,0|1,0,1]=4 670 B12R2.1081 ClC1=C2C=CC=CC2=NC=C1 049298 [0,1,0,1,0,0|1,0,1]=4 671 B12R2.1081 ClC1=C2C=CC=NC2=CC=C1 092866 [0,1,0,1,0,0|1,0,1]=4 672 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 040234 [0,1,0,1,0,0|1,0,1]=4 673 B12R2.1081 FC1=CC=CC2=CC=CC=C12 002697 [0,1,0,1,0,0|1,0,1]=4 674 B12R2.1081 IC1=CC=CC2=CC=CC=C12 005439 [0,1,0,1,0,0|1,0,1]=4 675 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 216423 [0,1,0,1,0,0|1,0,1]=4 676 B12R2.1081 NC1=C2C=CC=CC2=CC=N1 064975 [0,1,0,1,0,0|1,0,1]=4 677 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 092958 [0,1,0,1,0,0|1,0,1]=4 678 B12R2.1081 NC1=CC=CC2=NC=CC=C12 048215 [0,1,0,1,0,0|1,0,1]=4 679 B12R2.1081 NC1=CC=NC2=CC=CC=C12 076699 [0,1,0,1,0,0|1,0,1]=4 680 B12R2.1081 NC1=CN=CC2=CC=CC=C12 064972 [0,1,0,1,0,0|1,0,1]=4 681 B12R2.1081 O=C1CCCC2=C1C=CC=C2 208977 [0,1,0,1,0,0|1,0,1]=4 682 B12R2.1081 O=C1CCOC2=C1C=CC=C2 317966 [0,1,0,1,0,0|0,0,1]=3 683 B12R2.1081 O=C1OCCC2=C1C=CC=C2 209012 [0,1,0,1,0,0|2,0,0]=4 684 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 208940 [0,1,0,1,0,0|0,0,1]=3 685 B12R2.1081 OC1=C2C=CC=CC2=NC=N1 013606 [0,1,0,1,0,0|1,0,1]=4 686 B12R2.1081 OC1=C2C=CC=CC2=NN=C1 077034 [0,1,0,1,0,0|1,0,1]=4 687 B12R2.1081 OC1=C2C=CC=NC2=CC=C1 076698 [0,1,0,1,0,0|1,0,1]=4 688 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 093034 [0,1,0,1,0,0|1,0,1]=4 689 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 099744 [0,1,0,1,0,0|1,0,1]=4 690 B12R2.1081 OC1=CC=CC2=C1C=CN=C2 076330 [0,1,0,1,0,0|1,0,1]=4 691 B12R2.1081 OC1=CC=NC2=CC=CC=C12 050335 [0,1,0,1,0,0|0,0,1]=3 692 B12R2.1081 OC1=CN=CC2=C1C=CC=C2 093707 [0,1,0,1,0,0|0,0,1]=3 693 B12R2.1081 OC1CCCC2=CC=CC=C21 069137 [0,1,0,1,0,0|0,0,2]=4 694 B12R2.1081 OC1CCOC2=CC=CC=C21 104541 [0,1,0,1,0,0|0,0,2]=4 695 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 219879 [0,1,0,1,0,0|0,0,2]=4 696 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 219880 [0,1,0,1,0,0|0,0,2]=4 697 B12R2.1081 [O-][N+]1=CC=NC2=CC=CC=C21 184748 [0,1,0,1,0,0|1,0,1]=4 698 B12R2.2028 CC1=CN(C)C2=C1C=CC=C2 180164 [0,1,0,1,0,0|2,0,0]=4 699 B12R2.2028 O=C1OC(Br)C2=CC=CC=C12 113900 [0,1,0,1,0,0|2,0,0]=4 700 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 204011 [0,1,0,1,0,0|1,0,1]=4 701 B12R2.32 ClCC1=NC2=CC=CC=C2N1 010651 [0,1,0,1,0,0|2,0,0]=4 702 B12R2.32 NCC1=CC2=C(C=CC=C2)S1 034919 [0,1,0,1,0,0|1,0,0]=3 703 B12R2.32 NCC1=NC2=CC=CC=C2N1 077977 [0,1,0,1,0,0|2,0,0]=4 704 B12R2.32 NCC1=NC2=CC=CC=C2N1 078249 [0,1,0,1,0,0|2,0,0]=4 705 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 013717 [0,1,0,1,0,0|0,0,2]=4 706 B12R2.32 O=CC1=CC2=CC=CC=C2O1 036892 [0,1,0,1,0,0|0,0,2]=4 707 B12R2.32 OCC1=CC2=CC=CC=C2S1 017493 [0,1,0,1,0,0|0,0,0]=2 708 B12R2.32 OCC1=NC2=CC=CC=C2N1 010653 [0,1,0,1,0,0|1,0,0]=3 709 B12R2.32 OCC1=NC2=CC=CC=C2S1 013600 [0,1,0,1,0,0|1,0,0]=3 710 B12R2.32 ON=C1CC2=C(C=CC=C2)C1 098928 [0,1,0,1,0,0|1,0,1]=4 711 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 235071 [0,1,0,1,0,0|2,0,0]=4 712 B12R2.612 CN1C=CC2=C1C=CC(N)=C2 023909 [0,1,0,1,0,0|2,0,0]=4 713 B12R2.1 N#CC1=CNC2=CC=CC=C12 019326 [0,1,0,1,0,0|1,0,1]=4 714 B12R2.1 O=CC1=CNC2=C1C=CC=C2 036402 [0,1,0,1,0,0|0,0,2]=4 715 B12R2.1 O=CC1=CSC2=CC=CC=C12 065306 [0,1,0,1,0,0|0,0,2]=4 716 B12R2.1 OCC1=CNC2=C1C=CC=C2 045221 [0,1,0,1,0,0|0,0,0]=2 717 B12R2.1 OCN1C=NC2=CC=CC=C21 336776 [0,1,0,1,0,0|1,0,0]=3 718 B12R2.1 OCN1N=NC2=CC=CC=C21 036888 [0,1,0,1,0,0|2,0,0]=4 719 B12R2.18 CC1=CC2=C(C=CC=C2)N1C 078998 [0,1,0,1,0,0|2,0,0]=4 720 B12R2.18 OC1C2=CC=CC=C2CC1Br 003061 [0,1,0,1,0,0|0,0,2]=4 721 B8R1.8 OCCC1=CC=CS1 208753 [1,0,0,0,1,0|1,0,1]=4 722 B8R1.8 OCCC1=CSC=C1 076012 [1,0,0,0,1,0|1,0,1]=4