0 B10R1.17 BrCCCC1=CC=CC=C1 113800 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.17 BrCCOC1=CC=CC=C1 210427 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 BrCCSC1=CC=CC=C1 003535 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.17 C#CCCC1=CC=CC=C1 062967 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.17 C(=O)NCC1=CC=CC=C1 300142 [0,0,0,0,0,0|0,1,2]=3 5 B10R1.17 C=CCCC1=CC=CC=C1 342184 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.17 C=CCOC1=CC=CC=C1 242682 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.17 C=CCSC1=CC=CC=C1 003665 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 CCC#CC1=CC=CC=C1 103664 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.17 CCCCC1=CC=CC=C1 240933 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.17 CCCC[N+]1=CC=CC=C1 237751 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.17 CCCNC1=CC=CC=C1 324115 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.17 CCCSC1=CC=CC=C1 094618 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.17 CCNCC1=CC=CC=C1 239060 [0,0,0,0,0,0|1,0,2]=3 14 B10R1.17 CCNCC1=CC=CN=C1 046110 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.17 CCOCC1=CC=CC=C1 240434 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.17 CCSCC1=CC=CC=C1 094637 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.17 CNCCC1=CC=CC=C1 046956 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.17 CNCCC1=NC=CC=C1 065480 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.17 ClCCCC1=CC=CC=C1 320132 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.17 ClCCSC1=CC=CC=C1 003536 [0,0,0,0,0,0|3,0,1]=4 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|3,0,1]=4 23 B10R1.17 N#CCCC1=CC=CC=C1 337065 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.17 N#CCOC1=CC=CC=C1 239898 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.17 N#CCSC1=CC=CC=C1 003773 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.17 NCC#CC1=CC=CC=C1 050963 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.17 NCCCC1=CC=CC=C1 008890 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.17 NCCNC1=CC=CC=C1 320056 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.17 NCCOC1=CC=CC=C1 078737 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.17 O=CC#CC1=CC=CC=C1 079303 [0,0,0,0,0,0|1,1,2]=4 31 B10R1.17 O=CCCC1=CC=CC=C1 237467 [0,0,0,0,0,0|1,1,1]=3 32 B10R1.17 O=CNCC1=CC=CN=C1 032579 [0,0,0,0,0,0|1,1,2]=4 33 B10R1.17 O=COCC1=CC=CC=C1 240742 [0,0,0,0,0,0|1,1,1]=3 34 B10R1.17 O=C\C=C\C1=CC=CC=C1 099129 [0,0,0,0,0,0|1,1,2]=4 35 B10R1.17 O=C\C=C\C1=CC=CC=C1 224150 [0,0,0,0,0,0|1,1,2]=4 36 B10R1.17 OCC#CC1=CC=CC=C1 166200 [0,0,0,0,0,0|1,1,2]=4 37 B10R1.17 OCCCC1=CC=CC=C1 241187 [0,0,0,0,0,0|1,1,1]=3 38 B10R1.17 OCCCC1=CC=CN=C1 032639 [0,0,0,0,0,0|2,1,1]=4 39 B10R1.17 OCCCC1=CC=NC=C1 093367 [0,0,0,0,0,0|2,1,1]=4 40 B10R1.17 OCCCC1=NC=CC=C1 234266 [0,0,0,0,0,0|2,1,1]=4 41 B10R1.17 OCCNC1=CC=CC=C1 240954 [0,0,0,0,0,0|2,1,1]=4 42 B10R1.17 OCCOC1=CC=CC=C1 005091 [0,0,0,0,0,0|2,1,1]=4 43 B10R1.17 OCCSC1=CC=CC=C1 003534 [0,0,0,0,0,0|2,1,1]=4 44 B10R1.17 OC\C=C\C1=CC=CC=C1 237687 [0,0,0,0,0,0|1,1,2]=4 45 B10R1.17 S=C=NCC1=CC=CC=C1 002504 [0,0,0,0,0,0|0,0,0]=0 46 B10R1.17 S=C=NCC1=CC=CN=C1 009567 [0,0,0,0,0,0|1,0,0]=1 47 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 342017 [0,0,0,0,0,0|2,0,0]=2 48 B9R1.8 BrCCC1=CC=CC=C1 019261 [1,0,0,0,0,0|1,0,1]=3 49 B9R1.8 Br\C=C\C1=CC=CC=C1 049835 [1,0,0,0,0,0|1,0,2]=4 50 B9R1.8 C#CCC1=CC=CC=C1 080054 [1,0,0,0,0,0|1,0,1]=3 51 B9R1.8 C=CCC1=CC=CC=C1 005425 [1,0,0,0,0,0|1,0,1]=3 52 B9R1.8 C=CC[N+]1=CC=CC=C1 181022 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.8 C=CSC1=CC=CC=C1 008052 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.8 CC#CC1=CC=CC=C1 166000 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.8 CCCC1=CC=CC=C1 095067 [1,0,0,0,0,0|1,0,1]=3 56 B9R1.8 CCCC1=CC=NC=C1 235894 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.8 CCCC1=NC=CC=C1 242850 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.8 CCNC1=CC=CC=C1 216665 [1,0,0,0,0,0|1,0,2]=4 59 B9R1.8 CCOC1=CC=CC=C1 098890 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.8 CCSC1=CC=CC=C1 001759 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.8 CNCC1=CC=CC=C1 020695 [1,0,0,0,0,0|0,0,2]=3 62 B9R1.8 CNCC1=CC=NC=C1 046176 [1,0,0,0,0,0|1,0,2]=4 63 B9R1.8 CSCC1=CC=CC=C1 099640 [1,0,0,0,0,0|1,0,1]=3 64 B9R1.8 C\C=C/C1=CC=CC=C1 167700 [1,0,0,0,0,0|1,0,2]=4 65 B9R1.8 C\C=C\C1=CC=CC=C1 018868 [1,0,0,0,0,0|1,0,2]=4 66 B9R1.8 C\N=C\C1=CC=CC=C1 240625 [1,0,0,0,0,0|0,0,2]=3 67 B9R1.8 ClCCC1=CC=CC=C1 208883 [1,0,0,0,0,0|1,0,1]=3 68 B9R1.8 ClCCC1=CC=CC=N1 070463 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.8 Cl[Mg]CC1=CC=CC=C1 103558 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.8 ICCC1=CC=CC=C1 001087 [1,0,0,0,0,0|1,0,1]=3 71 B9R1.8 N#CCC1=NC=CC=C1 047908 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.8 N#C[Se]C1=CC=CC=C1 005429 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.8 NCCC1=CC=CC=C1 046873 [1,0,0,0,0,0|1,0,1]=3 74 B9R1.8 NCCC1=CC=CN=C1 010689 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.8 NCCC1=CC=CN=C1 033239 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.8 NCCC1=CC=CN=C1 065473 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.8 NCCC1=CC=NC=C1 010690 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.8 NCCC1=NC=CC=C1 013702 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.8 NNCC1=CC=CC=C1 036859 [1,0,0,0,0,0|1,0,1]=3 80 B9R1.8 NOCC1=CC=CC=C1 036957 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.8 O=C=NC1=CC=CC=C1 165700 [1,0,0,0,0,0|0,1,0]=2 82 B9R1.8 O=CCC1=CC=CC=C1 098878 [1,0,0,0,0,0|0,1,1]=3 83 B9R1.8 O=CNC1=CC=CC=C1 239406 [1,0,0,0,0,0|0,1,2]=4 84 B9R1.8 O=S=NC1=CC=CC=C1 341767 [1,0,0,0,0,0|1,1,0]=3 85 B9R1.8 OCCC1=CC=CC=C1 222397 [1,0,0,0,0,0|0,1,1]=3 86 B9R1.8 OCCC1=CC=CN=C1 017523 [1,0,0,0,0,0|1,1,1]=4 87 B9R1.8 OCCC1=CC=NC=C1 228335 [1,0,0,0,0,0|1,1,1]=4 88 B9R1.8 OCCC1=NC=CC=C1 223718 [1,0,0,0,0,0|1,1,1]=4 89 B9R1.8 ONCC1=CC=CC=C1 091512 [1,0,0,0,0,0|0,1,1]=3 90 B9R1.8 ONCC1=CC=CC=C1 238633 [1,0,0,0,0,0|0,1,1]=3 91 B9R1.8 O\N=C\C1=CN=CC=C1 180049 [1,0,0,0,0,0|1,1,1]=4 92 B9R1.8 O\N=C\C1=NC=CC=C1 180048 [1,0,0,0,0,0|1,1,1]=4 93 B9R1.8 O\N=C\C1=NC=CC=C1 227229 [1,0,0,0,0,0|1,1,1]=4 94 B9R1.8 S=C=NC1=CC=CC=C1 358191 [1,0,0,0,0,0|0,0,0]=1 95 B9R1.8 S=C=NC1=CN=CC=C1 017259 [1,0,0,0,0,0|1,0,0]=2 96 B11R1.1 CC1=CC=C(CN=C=O)C=C1 013635 [0,1,0,0,0,0|0,1,0]=2 97 B11R1.1 CC1=CC=C(CN=C=S)C=C1 009521 [0,1,0,0,0,0|0,0,0]=1 98 B11R1.1 CCCCC1=CC=C(Br)C=C1 002481 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.1 CCCCC1=CC=C(I)C=C1 241341 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.1 CCCCC1=CC=C(N)C=C1 037413 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.1 CCCCC1=CC=C(O)C=C1 358059 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.1 FC1=CC=C(CN=C=S)C=C1 006204 [0,1,0,0,0,0|0,0,0]=1 103 B11R1.1 N#CCCC1=CC=C(Br)C=C1 018025 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.1 N#CCCC1=CC=C(Cl)C=C1 018436 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.1 N#CCCC1=CC=C(O)C=C1 018729 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.1 O=C=NCC1=CC=C(Cl)C=C1 520610 [0,1,0,0,0,0|0,1,0]=2 107 B11R1.1 OCCCC1=CC=C(Br)C=C1 078163 [0,1,0,0,0,0|1,1,1]=4 108 B11R1.1 S=C=NCC1=CC=C(Cl)C=C1 002529 [0,1,0,0,0,0|0,0,0]=1 109 B11R1.16 CC(CC=O)C1=CC=CC=C1 520893 [0,1,0,0,0,0|1,1,1]=4 110 B11R1.16 CC(N=C=S)C1=CC=CC=C1 009523 [0,1,0,0,0,0|0,0,0]=1 111 B11R1.16 CCC[C@@H](O)C1=CC=CC=C1 355875 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.16 CCC[C@H](O)C1=CC=CC=C1 488025 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.16 CNCC(O)C1=CC=CC=C1 402378 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.16 C[C@@H](N=C=O)C1=CC=CC=C1 013633 [0,1,0,0,0,0|0,1,0]=2 115 B11R1.16 C[C@@H](N=C=S)C1=CC=CC=C1 009522 [0,1,0,0,0,0|0,0,0]=1 116 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 013634 [0,1,0,0,0,0|0,1,0]=2 117 B11R1.16 C[C@H](N=C=S)C1=CC=CC=C1 009524 [0,1,0,0,0,0|0,0,0]=1 118 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 018199 [0,1,0,0,0,0|0,0,1]=2 119 B11R1.16 O=C=NC(=O)C1=CC=CC=C1 046912 [0,1,0,0,0,0|0,1,1]=3 120 B11R1.17 CC1=C(CN=C=S)C=CC=C1 009519 [0,1,0,0,0,0|0,0,0]=1 121 B11R1.17 CCCCC1=CC=CC=C1N 330100 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.17 FC1=C(CN=C=S)C=CC=C1 006202 [0,1,0,0,0,0|0,0,0]=1 123 B11R1.17 N#CSCC1=C(Cl)C=CC=C1 045088 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.17 O=C=NCC1=CC=CC=C1Cl 098608 [0,1,0,0,0,0|0,1,0]=2 125 B11R1.17 OCCCC1=CC=CC=C1Cl 334105 [0,1,0,0,0,0|1,1,1]=4 126 B11R1.17 S=C=NCC1=C(Cl)C=CC=C1 002527 [0,1,0,0,0,0|0,0,0]=1 127 B11R1.24 C=CCCC1=CC=CC(Br)=C1 200069 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.24 CC1=CC(CN=[N+]=[N-])=CC=C1 033924 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.24 CC1=CC=CC(CN=C=S)=C1 009520 [0,1,0,0,0,0|0,0,0]=1 130 B11R1.24 CCCCC1=CC(N)=CC=C1 037562 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.24 CCCCC1=CC=CC(Br)=C1 037560 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.24 CCCCC1=CC=CC(I)=C1 037561 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.24 FC1=CC=CC(CN=C=S)=C1 006203 [0,1,0,0,0,0|0,0,0]=1 134 B11R1.24 N#CCCC1=CC=CC(Br)=C1 018313 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.24 OCCCC1=CC=CC(Cl)=C1 215060 [0,1,0,0,0,0|1,1,1]=4 136 B11R1.24 S=C=NCC1=CC(Cl)=CC=C1 002528 [0,1,0,0,0,0|0,0,0]=1 137 B11R1.28 BrCCCCC1=CC=CC=C1 008935 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.28 BrCCCOC1=CC=CC=C1 001213 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.28 BrCCOCC1=CC=CC=C1 214587 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.28 CCCCNC1=CC=CC=C1 236771 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.28 CCCCOC1=CC=CC=C1 001072 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.28 CNCCOC1=CC=CC=C1 023561 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.28 ClCCCSC1=CC=CC=C1 106017 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.28 ClCCOCC1=CC=CC=C1 222450 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.28 N#CCCNC1=CC=CC=C1 099472 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.28 NCCNCC1=CC=CC=C1 209057 [0,1,0,0,0,0|1,0,2]=4 147 B11R1.28 NCCSCC1=CC=CC=C1 360466 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.28 O=C=NCCC1=CC=CC=C1 067795 [0,1,0,0,0,0|0,1,0]=2 149 B11R1.28 O=CCOCC1=CC=CC=C1 209052 [0,1,0,0,0,0|1,1,1]=4 150 B11R1.28 OCCCCC1=CC=CC=C1 003411 [0,1,0,0,0,0|1,1,1]=4 151 B11R1.28 OCCNCC1=CC=CC=C1 235550 [0,1,0,0,0,0|0,1,2]=4 152 B11R1.28 OCCOCC1=CC=CC=C1 238804 [0,1,0,0,0,0|1,1,1]=4 153 B11R1.28 OCCSCC1=CC=CC=C1 003733 [0,1,0,0,0,0|1,1,1]=4 154 B11R1.28 S=C=NCCC1=CC=CC=C1 009560 [0,1,0,0,0,0|0,0,0]=1 155 B11R1.40 CCC(O)CC1=CC=CC=C1 103563 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.40 CNC(=O)CC1=CC=CC=C1 449006 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 M04116 [0,1,0,0,0,0|1,1,1]=4 158 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 317870 [0,1,0,0,0,0|1,1,1]=4 159 B11R1.40 N\C(CC1=CC=CC=C1)=N/O 033305 [0,1,0,0,0,0|2,1,0]=4 160 B11R1.40 O=C(CC1=CC=CC=C1)NO 188889 [0,1,0,0,0,0|2,1,0]=4 161 B11R1.40 O[C@H](CCl)CC1=CC=CC=C1 036095 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.91 CC(=N)SCC1=CC=CC=C1 471468 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.91 CC(=O)CCC1=CC=CC=C1 454566 [0,1,0,0,0,0|1,1,1]=4 164 B11R1.91 CC(C)NCC1=CC=CC=C1 366623 [0,1,0,0,0,0|1,0,2]=4 165 B11R1.91 CC(C)OCC1=CC=CC=C1 095354 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.91 CC(O)CCC1=CC=CC=C1 328963 [0,1,0,0,0,0|1,1,1]=4 167 B11R1.91 N=C(N)SCC1=CC=CC=C1 099378 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.91 NC(=O)CCC1=CC=CC=C1 353451 [0,1,0,0,0,0|1,1,1]=4 169 B11R1.91 NC(=O)NCC1=CC=CC=C1 243198 [0,1,0,0,0,0|0,1,2]=4 170 B11R1.91 NC(=O)OCC1=CC=CC=C1 209067 [0,1,0,0,0,0|1,1,1]=4 171 B11R1.91 NC(=S)NCC1=CC=CC=C1 018234 [0,1,0,0,0,0|0,0,2]=3 172 B11R1.91 NC(N)=NCC1=CC=CC=C1 047437 [0,1,0,0,0,0|1,0,1]=3 173 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 448612 [0,1,0,0,0,0|1,1,1]=4 174 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 106076 [0,1,0,0,0,0|1,1,1]=4 175 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 M02865 [0,1,0,0,0,0|1,1,1]=4 176 B11R1.91 O=C(O)CCC1=CC=CC=C1 216287 [0,1,0,0,0,0|1,1,1]=4 177 B11R2.1 CN1N=NC2=CC=CC=C21 018820 [0,0,0,1,0,0|3,0,0]=4 178 B11R2.1 ClC1=NNC2=C1C=CC=C2 076553 [0,0,0,1,0,0|2,0,1]=4 179 B11R2.1 ClC1=NOC2=CC=CC=C21 067548 [0,0,0,1,0,0|2,0,1]=4 180 B11R2.1 NC1=NCC2=CC=CC=C21 387383 [0,0,0,1,0,0|1,0,1]=3 181 B11R2.1 NC1=NNC2=C1C=CC=C2 047410 [0,0,0,1,0,0|2,0,1]=4 182 B11R2.1 NC1CCC2=C1C=CC=C2 219954 [0,0,0,1,0,0|2,0,1]=4 183 B11R2.1 NN1N=NC2=C1C=CC=C2 M01240 [0,0,0,1,0,0|3,0,0]=4 184 B11R2.1 O=C1CCC2=C1C=CC=C2 036208 [0,0,0,1,0,0|1,1,1]=4 185 B11R2.1 O=C1NCC2=C1C=CC=C2 091909 [0,0,0,1,0,0|0,1,2]=4 186 B11R2.1 O=C1OCC2=C1C=CC=C2 091677 [0,0,0,1,0,0|1,1,1]=4 187 B11R2.1 OB1OCC2=C1C=CC=C2 107020 [0,0,0,1,0,0|2,1,0]=4 188 B11R2.1 OC1=NOC2=CC=CC=C21 017185 [0,0,0,1,0,0|1,1,1]=4 189 B11R2.1 OC1CCC2=CC=CC=C21 008845 [0,0,0,1,0,0|1,1,1]=4 190 B11R2.1 ON1N=NC2=C1C=CC=C2 M02875 [0,0,0,1,0,0|2,1,0]=4 191 B11R2.1 ON1N=NC2=CC=CC=C21 317839 [0,0,0,1,0,0|2,1,0]=4 192 B11R2.1 O[C@@H]1CCC2=CC=CC=C21 454961 [0,0,0,1,0,0|1,1,1]=4 193 B11R2.1 O[C@H]1CCC2=CC=CC=C21 106570 [0,0,0,1,0,0|1,1,1]=4 194 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 390375 [0,0,0,1,0,0|2,0,1]=4 195 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 227722 [0,0,0,1,0,0|1,0,2]=4 196 B11R2.20 C1=CC2=C(C=C1)CCCC2 075145 [0,0,0,1,0,0|2,0,1]=4 197 B11R2.20 C1=CC2=C(C=C1)CNCC2 040081 [0,0,0,1,0,0|1,0,2]=4 198 B11R2.20 C1=CC2=C(C=C1)NCCC2 040080 [0,0,0,1,0,0|2,0,1]=4 199 B11R2.20 C1=CC2=CN=CN=C2C=C1 078701 [0,0,0,1,0,0|1,0,2]=4 200 B11R2.20 C1=CC=C2COCCC2=C1 237176 [0,0,0,1,0,0|2,0,1]=4 201 B8R1.2 BrCC1=CC=CC=C1 003666 [2,0,0,0,0,0|1,0,0]=3 202 B8R1.2 BrCC1=CC=CN=C1 214585 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.2 BrCC1=CC=NC=C1 067829 [2,0,0,0,0,0|2,0,0]=4 204 B8R1.2 BrCC1=NC=CC=C1 067831 [2,0,0,0,0,0|2,0,0]=4 205 B8R1.2 Br[Mg]C1=CC=CC=C1 103487 [2,0,0,0,0,0|2,0,0]=4 206 B8R1.2 Br[Mg]C1=CC=CC=C1 214282 [2,0,0,0,0,0|2,0,0]=4 207 B8R1.2 C#CC1=CC=CC=C1 003009 [2,0,0,0,0,0|0,0,2]=4 208 B8R1.2 C=CC1=CC=CC=C1 520455 [2,0,0,0,0,0|0,0,2]=4 209 B8R1.2 CCC1=CC=CC=C1 094632 [2,0,0,0,0,0|0,0,1]=3 210 B8R1.2 CCC1=CC=CC=N1 098941 [2,0,0,0,0,0|1,0,1]=4 211 B8R1.2 CCC1=CC=CN=C1 242838 [2,0,0,0,0,0|1,0,1]=4 212 B8R1.2 CCC1=CC=NC=C1 319885 [2,0,0,0,0,0|1,0,1]=4 213 B8R1.2 CC[N+]1=CC=CC=C1 046807 [2,0,0,0,0,0|1,0,1]=4 214 B8R1.2 CNC1=CC=CC=C1 094625 [2,0,0,0,0,0|0,0,2]=4 215 B8R1.2 COC1=CC=CC=C1 M03556 [2,0,0,0,0,0|1,0,1]=4 216 B8R1.2 CSC1=CC=CC=C1 002945 [2,0,0,0,0,0|1,0,1]=4 217 B8R1.2 ClCC1=CC=CC=C1 106800 [2,0,0,0,0,0|1,0,0]=3 218 B8R1.2 ClCC1=CC=CC=N1 026180 [2,0,0,0,0,0|2,0,0]=4 219 B8R1.2 ClCC1=CC=CN=C1 043884 [2,0,0,0,0,0|2,0,0]=4 220 B8R1.2 ClCC1=CC=NC=C1 050512 [2,0,0,0,0,0|2,0,0]=4 221 B8R1.2 Cl[Hg]C1=CC=CC=C1 101463 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.2 Cl[Se]C1=CC=CC=C1 005554 [2,0,0,0,0,0|2,0,0]=4 223 B8R1.2 N#CC1=CC=CC=C1 035786 [2,0,0,0,0,0|0,0,2]=4 224 B8R1.2 N#CC1=CC=CC=C1 102548 [2,0,0,0,0,0|0,0,2]=4 225 B8R1.2 NCC1=CC=CC=C1 098408 [2,0,0,0,0,0|0,0,1]=3 226 B8R1.2 NCC1=CC=CC=C1 241882 [2,0,0,0,0,0|0,0,1]=3 227 B8R1.2 NCC1=CC=CN=C1 078185 [2,0,0,0,0,0|1,0,1]=4 228 B8R1.2 NCC1=CC=NC=C1 065475 [2,0,0,0,0,0|1,0,1]=4 229 B8R1.2 NCC1=NC=CC=C1 009750 [2,0,0,0,0,0|1,0,1]=4 230 B8R1.2 NNC1=CC=CC=C1 079470 [2,0,0,0,0,0|1,0,1]=4 231 B8R1.2 NNC1=CC=CC=C1 098902 [2,0,0,0,0,0|1,0,1]=4 232 B8R1.2 O=NC1=CC=CC=C1 106182 [2,0,0,0,0,0|0,1,0]=3 233 B8R1.2 OCC1=CC=CC=C1 094986 [2,0,0,0,0,0|0,1,0]=3 234 B8R1.2 OCC1=CC=CC=C1 105725 [2,0,0,0,0,0|0,1,0]=3 235 B8R1.2 OCC1=CC=CN=C1 208628 [2,0,0,0,0,0|1,1,0]=4 236 B8R1.2 OCC1=CC=NC=C1 078602 [2,0,0,0,0,0|1,1,0]=4 237 B8R1.2 OCC1=NC=CC=C1 043374 [2,0,0,0,0,0|1,1,0]=4 238 B8R1.2 SCC1=CC=CC=C1 098994 [2,0,0,0,0,0|0,0,1]=3 239 B8R1.2 [C-]#[N+]C1=CC=CC=C1 180012 [2,0,0,0,0,0|0,0,2]=4 240 B8R1.2 [O-]CC1=CC=CC=C1 105697 [2,0,0,0,0,0|0,1,0]=3 241 B10R1.1 CC1=CC=C(CC#N)C=C1 078705 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.1 CC1=CC=C(CCN)C=C1 018851 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.1 CC1=CC=C(CCO)C=C1 216320 [1,1,0,0,0,0|0,1,1]=4 244 B10R1.1 CC1=CC=C(N=C=O)C=C1 099850 [1,1,0,0,0,0|0,1,0]=3 245 B10R1.1 CC1=CC=C(N=C=S)C=C1 001282 [1,1,0,0,0,0|0,0,0]=2 246 B10R1.1 CC1=CC=C(\C=N\O)C=C1 300271 [1,1,0,0,0,0|0,1,1]=4 247 B10R1.1 CCCC1=CC=C(Cl)C=C1 018453 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.1 CCCC1=CC=C(O)C=C1 068339 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.1 CNCC1=CC=C(Br)C=C1 076658 [1,1,0,0,0,0|0,0,2]=4 250 B10R1.1 CNCC1=CC=C(C)C=C1 078911 [1,1,0,0,0,0|0,0,2]=4 251 B10R1.1 CNCC1=CC=C(F)C=C1 040105 [1,1,0,0,0,0|0,0,2]=4 252 B10R1.1 COCC1=CC=C(Br)C=C1 325028 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.1 ClC1=CC=C(CCBr)C=C1 020895 [1,1,0,0,0,0|1,0,1]=4 254 B10R1.1 FC1=CC=C(CCBr)C=C1 020897 [1,1,0,0,0,0|1,0,1]=4 255 B10R1.1 FC1=CC=C(CCCl)C=C1 010403 [1,1,0,0,0,0|1,0,1]=4 256 B10R1.1 FC1=CC=C(N=C=S)C=C1 001283 [1,1,0,0,0,0|0,0,0]=2 257 B10R1.1 N#CCC1=CC=C(Br)C=C1 BR1112 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.1 N#CCC1=CC=C(Cl)C=C1 079011 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.1 N#CCC1=CC=C(F)C=C1 001189 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.1 N#CCC1=CC=C(I)C=C1 149501 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.1 N#CCC1=CC=C(O)C=C1 018726 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.1 NC1=CC=C(CCO)C=C1 005442 [1,1,0,0,0,0|0,1,1]=4 263 B10R1.1 NCCC1=CC=C(Br)C=C1 013456 [1,1,0,0,0,0|1,0,1]=4 264 B10R1.1 NCCC1=CC=C(Br)C=C1 018305 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.1 NCCC1=CC=C(Cl)C=C1 008894 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.1 NCCC1=CC=C(F)C=C1 040108 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.1 NCCC1=CC=C(F)C=C1 240692 [1,1,0,0,0,0|1,0,1]=4 268 B10R1.1 NCCC1=CC=C(N)C=C1 040089 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.1 NCCC1=CC=C(O)C=C1 078887 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.1 NCCC1=CC=C(O)C=C1 241212 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.1 O=C=NC1=CC=C(Br)C=C1 046917 [1,1,0,0,0,0|0,1,0]=3 272 B10R1.1 O=C=NC1=CC=C(Cl)C=C1 403156 [1,1,0,0,0,0|0,1,0]=3 273 B10R1.1 O=C=NC1=CC=C(F)C=C1 002336 [1,1,0,0,0,0|0,1,0]=3 274 B10R1.1 O=C=NC1=CC=C(I)C=C1 149800 [1,1,0,0,0,0|0,1,0]=3 275 B10R1.1 OCCC1=CC=C(Br)C=C1 040529 [1,1,0,0,0,0|0,1,1]=4 276 B10R1.1 OCCC1=CC=C(Cl)C=C1 209207 [1,1,0,0,0,0|0,1,1]=4 277 B10R1.1 OCCC1=CC=C(F)C=C1 006315 [1,1,0,0,0,0|0,1,1]=4 278 B10R1.1 OCCC1=CC=C(I)C=C1 078447 [1,1,0,0,0,0|0,1,1]=4 279 B10R1.1 OCCC1=CC=C(O)C=C1 077935 [1,1,0,0,0,0|0,1,1]=4 280 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 217622 [1,1,0,0,0,0|0,1,1]=4 281 B10R1.1 O\N=C\C1=CC=C(F)C=C1 011169 [1,1,0,0,0,0|0,1,1]=4 282 B10R1.1 S=C=NC1=CC=C(Br)C=C1 001275 [1,1,0,0,0,0|0,0,0]=2 283 B10R1.1 S=C=NC1=CC=C(Cl)C=C1 008775 [1,1,0,0,0,0|0,0,0]=2 284 B10R1.1 S=C=NC1=CC=C(I)C=C1 008984 [1,1,0,0,0,0|0,0,0]=2 285 B10R1.1 [NH3+]OCC1=CC=C(F)C=C1 010009 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.4 C=CCC1=C(O)C=CC=C1 520493 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.4 CC1=C(CCN)C=CC=C1 018849 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.4 CC1=C(CCN)C=CC=C1 094128 [1,1,0,0,0,0|1,0,1]=4 289 B10R1.4 CC1=C(N=C=O)C=CC=C1 403155 [1,1,0,0,0,0|0,1,0]=3 290 B10R1.4 CC1=C(N=C=S)C=CC=C1 001280 [1,1,0,0,0,0|0,0,0]=2 291 B10R1.4 CC1=CC=CC=C1CCO 243106 [1,1,0,0,0,0|0,1,1]=4 292 B10R1.4 CNCC1=CC=CC=C1F 077128 [1,1,0,0,0,0|0,0,2]=4 293 B10R1.4 COCC1=CC=CC=C1Br 233857 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.4 FC1=C(N=C=S)C=CC=C1 001385 [1,1,0,0,0,0|0,0,0]=2 295 B10R1.4 N#CCC1=C(Br)C=CC=C1 001135 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.4 N#CCC1=C(F)C=CC=C1 001187 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.4 N#CCC1=CC=CC=C1Cl 225964 [1,1,0,0,0,0|1,0,1]=4 298 B10R1.4 N#CCC1=CC=CC=C1N 208802 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.4 NCCC1=C(Cl)C=CC=C1 008893 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.4 NCCC1=C(F)C=CC=C1 044800 [1,1,0,0,0,0|1,0,1]=4 301 B10R1.4 NCCC1=CC=CC=C1Br 067221 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.4 NNCC1=C(F)C=CC=C1 070628 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.4 O=C=NC1=C(Br)C=CC=C1 046915 [1,1,0,0,0,0|0,1,0]=3 304 B10R1.4 O=C=NC1=C(Cl)C=CC=C1 046923 [1,1,0,0,0,0|0,1,0]=3 305 B10R1.4 O=C=NC1=C(F)C=CC=C1 002334 [1,1,0,0,0,0|0,1,0]=3 306 B10R1.4 O=C=NC1=CC=CC=C1I 013613 [1,1,0,0,0,0|0,1,0]=3 307 B10R1.4 OCCC1=C(F)C=CC=C1 006314 [1,1,0,0,0,0|0,1,1]=4 308 B10R1.4 OCCC1=CC=CC=C1Br 210426 [1,1,0,0,0,0|0,1,1]=4 309 B10R1.4 OCCC1=CC=CC=C1Cl 329148 [1,1,0,0,0,0|0,1,1]=4 310 B10R1.4 OCCC1=CC=CC=C1O 215704 [1,1,0,0,0,0|0,1,1]=4 311 B10R1.4 S=C=NC1=C(Br)C=CC=C1 001373 [1,1,0,0,0,0|0,0,0]=2 312 B10R1.4 S=C=NC1=C(Cl)C=CC=C1 008773 [1,1,0,0,0,0|0,0,0]=2 313 B10R1.4 S=C=NC1=CC=CC=C1I 008982 [1,1,0,0,0,0|0,0,0]=2 314 B10R1.10 C=CCC1=CC=CC(Cl)=C1 022313 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.10 C=CCC1=CC=CC(F)=C1 022325 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.10 CC1=CC(CC#N)=CC=C1 092558 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.10 CC1=CC=CC(CCO)=C1 068240 [1,1,0,0,0,0|0,1,1]=4 318 B10R1.10 CC1=CC=CC(N=C=O)=C1 046957 [1,1,0,0,0,0|0,1,0]=3 319 B10R1.10 CC1=CC=CC(N=C=S)=C1 001281 [1,1,0,0,0,0|0,0,0]=2 320 B10R1.10 CCCC1=CC=CC(O)=C1 431370 [1,1,0,0,0,0|1,0,1]=4 321 B10R1.10 CNCC1=CC=CC(C)=C1 224541 [1,1,0,0,0,0|0,0,2]=4 322 B10R1.10 CNCC1=CC=CC(F)=C1 077129 [1,1,0,0,0,0|0,0,2]=4 323 B10R1.10 COCC1=CC(Br)=CC=C1 235324 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.10 ClC1=CC=CC(CCBr)=C1 020894 [1,1,0,0,0,0|1,0,1]=4 325 B10R1.10 FC1=CC=CC(N=C=S)=C1 001386 [1,1,0,0,0,0|0,0,0]=2 326 B10R1.10 N#CCC1=CC(Br)=CC=C1 001136 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.10 N#CCC1=CC(F)=CC=C1 001188 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.10 N#CCC1=CC=CC(Cl)=C1 078843 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.10 NCCC1=CC=CC(Br)=C1 048827 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.10 NCCC1=CC=CC(Cl)=C1 018421 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.10 NCCC1=CC=CC(F)=C1 040107 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.10 NCCC1=CC=CC(O)=C1 009950 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.10 O=C=NC1=CC(Br)=CC=C1 046916 [1,1,0,0,0,0|0,1,0]=3 334 B10R1.10 O=C=NC1=CC(Cl)=CC=C1 094703 [1,1,0,0,0,0|0,1,0]=3 335 B10R1.10 O=C=NC1=CC(F)=CC=C1 002335 [1,1,0,0,0,0|0,1,0]=3 336 B10R1.10 O=C=NC1=CC(I)=CC=C1 104022 [1,1,0,0,0,0|0,1,0]=3 337 B10R1.10 OCCC1=CC(O)=CC=C1 092020 [1,1,0,0,0,0|0,1,1]=4 338 B10R1.10 OCCC1=CC=CC(Br)=C1 092240 [1,1,0,0,0,0|0,1,1]=4 339 B10R1.10 OCCC1=CC=CC(Cl)=C1 078742 [1,1,0,0,0,0|0,1,1]=4 340 B10R1.10 OCCC1=CC=CC(F)=C1 010684 [1,1,0,0,0,0|0,1,1]=4 341 B10R1.10 S=C=NC1=CC(Br)=CC=C1 001374 [1,1,0,0,0,0|0,0,0]=2 342 B10R1.10 S=C=NC1=CC(Cl)=CC=C1 008774 [1,1,0,0,0,0|0,0,0]=2 343 B10R1.10 S=C=NC1=CC=CC(I)=C1 008983 [1,1,0,0,0,0|0,0,0]=2 344 B10R1.10 [N-]=[N+]=NC1=CC(Br)=CC=C1 099706 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.10 [NH3+]OCC1=CC(F)=CC=C1 010010 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.15 C(=O)C(C)C1=CC=CC=C1 003859 [1,1,0,0,0,0|0,1,1]=4 347 B10R1.15 CC(C#N)C1=CC=CC=C1 001059 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.15 CC(CN)C1=CC=CC=C1 008888 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.15 CCC(C)C1=CC=CC=C1 094615 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.15 CCC(O)C1=CC=CC=C1 242652 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 208825 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 103637 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.15 CC[C@H](N)C1=CC=CC=C1 227613 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.15 CNC(C)C1=CC=CC=C1 371108 [1,1,0,0,0,0|0,0,2]=4 355 B10R1.15 CN[C@H](C)C1=CC=CC=C1 337064 [1,1,0,0,0,0|0,0,2]=4 356 B10R1.15 N#CC(O)C1=CC=CC=C1 403371 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.15 N#C[C@@H](N)C1=CC=CC=C1 324116 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.15 NC(CO)C1=CC=CC=C1 364268 [1,1,0,0,0,0|0,1,1]=4 359 B10R1.15 NCC(O)C1=CC=CC=C1 008897 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 318280 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.15 NC[C@H](O)C1=CC=CC=C1 077860 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 040100 [1,1,0,0,0,0|0,1,1]=4 363 B10R1.15 N[C@H](CO)C1=CC=CC=C1 034311 [1,1,0,0,0,0|0,1,1]=4 364 B10R1.15 N\C(=N/O)C1=CC=CC=C1 067963 [1,1,0,0,0,0|0,1,1]=4 365 B10R1.15 N\C(=N/O)C1=CC=CC=C1 097873 [1,1,0,0,0,0|0,1,1]=4 366 B10R1.15 N\C(=N\O)C1=CC=CC=C1 106200 [1,1,0,0,0,0|0,1,1]=4 367 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 103828 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.18 CC(Br)CC1=CC=CC=C1 243231 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.18 CC(O)CC1=CC=CC=C1 339985 [1,1,0,0,0,0|0,1,1]=4 370 B10R1.18 CN(C)CC1=CC=CC=C1 102405 [1,1,0,0,0,0|0,0,2]=4 371 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 036085 [1,1,0,0,0,0|0,1,1]=4 372 B10R1.18 C[C@H](O)CC1=CC=CC=C1 036086 [1,1,0,0,0,0|0,1,1]=4 373 B10R1.18 NC(=O)CC1=CC=CC=C1 018952 [1,1,0,0,0,0|0,1,1]=4 374 B10R1.18 NC(=S)CC1=CC=CC=C1 047341 [1,1,0,0,0,0|0,0,1]=3 375 B10R1.18 NC(=S)NC1=CC=CC=C1 358215 [1,1,0,0,0,0|0,0,2]=4 376 B10R1.18 O=C(Cl)CC1=CC=CC=C1 099401 [1,1,0,0,0,0|0,1,1]=4 377 B10R1.18 S=C(Cl)OC1=CC=CC=C1 046963 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.18 S=C(Cl)SC1=CC=CC=C1 239805 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.21 O=C=NCCC1=CC=CS1 017478 [0,1,0,0,1,0|1,1,0]=4 380 B12R1.1 O=C=NCCC1=CC=C(F)C=C1 104409 [0,2,0,0,0,0|0,1,0]=3 381 B12R1.1 S=C=NCCC1=CC=C(Cl)C=C1 018422 [0,2,0,0,0,0|0,0,0]=2 382 B12R1.16 C[C@@H](N=C=S)C1=CC=C(Br)C=C1 103205 [0,2,0,0,0,0|0,0,0]=2 383 B12R1.16 O=C(N=C=S)C1=CC=C(Cl)C=C1 002526 [0,2,0,0,0,0|0,0,1]=3 384 B12R1.21 CC1=CC=C(CNC(N)=S)C=C1 018822 [0,2,0,0,0,0|0,0,2]=4 385 B12R1.21 NC(=S)NCC1=CC=C(Cl)C=C1 018363 [0,2,0,0,0,0|0,0,2]=4 386 B12R1.71 COC1=CC=C(CN=C=O)C=C1 367191 [0,2,0,0,0,0|0,1,0]=3 387 B12R1.71 COC1=CC=C(CN=C=S)C=C1 008998 [0,2,0,0,0,0|0,0,0]=2 388 B12R1.385 S=C=NCC1=CC(Cl)=C(Cl)C=C1 018522 [0,2,0,0,0,0|0,0,0]=2 389 B12R1.308 CC1=C(C(=O)N=C=S)C=CC=C1 009516 [0,2,0,0,0,0|0,0,1]=3 390 B12R1.308 O=C(N=C=S)C1=C(Cl)C=CC=C1 002524 [0,2,0,0,0,0|0,0,1]=3 391 B12R1.121 COC1=C(CN=C=O)C=CC=C1 104480 [0,2,0,0,0,0|0,1,0]=3 392 B12R1.121 COC1=CC=CC=C1CN=C=S 008996 [0,2,0,0,0,0|0,0,0]=2 393 B12R1.267 O=C=NCCC1=C(F)C=CC=C1 104408 [0,2,0,0,0,0|0,1,0]=3 394 B12R1.100 O=C=NCC1=CC(F)=CC(F)=C1 105269 [0,2,0,0,0,0|0,1,0]=3 395 B12R1.382 COC1=CC(CN=C=S)=CC=C1 008997 [0,2,0,0,0,0|0,0,0]=2 396 B12R1.8 S=C=NCCCC1=CC=CC=C1 009566 [0,2,0,0,0,0|0,0,0]=2 397 B12R1.27 CNC(=S)NCC1=CC=CC=C1 018213 [0,2,0,0,0,0|0,0,2]=4 398 B12R1.27 NNC(=S)NCC1=CC=CC=C1 018233 [0,2,0,0,0,0|0,0,2]=4 399 B12R1.252 NC(=S)NCCC1=CC=CC=C1 010668 [0,2,0,0,0,0|0,0,2]=4 400 B10R2.6 C1=CC=C(C2CC2)C=C1 049412 [1,0,0,1,0,0|1,0,1]=4 401 B10R2.6 C1=CC=C(C2CO2)C=C1 227689 [1,0,0,1,0,0|0,1,1]=4 402 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 221507 [1,0,0,1,0,0|0,1,1]=4 403 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 223292 [1,0,0,1,0,0|0,1,1]=4 404 B10R2.7 C1=CC2=C(C=C1)CC=C2 358247 [1,0,0,1,0,0|1,0,1]=4 405 B10R2.7 C1=CC2=C(C=C1)CCC2 046831 [1,0,0,1,0,0|1,0,1]=4 406 B10R2.7 C1=CC2=C(C=C1)NN=C2 044571 [1,0,0,1,0,0|1,0,1]=4 407 B10R2.7 C1=CC2=C(C=C1)[N-]N=N2 180127 [1,0,0,1,0,0|2,0,0]=4 408 B10R2.7 C1=CC2=NSN=C2C=C1 038587 [1,0,0,1,0,0|2,0,0]=4 409 B10R2.7 C1=CC=C2CNCC2=C1 041927 [1,0,0,1,0,0|0,0,2]=4 410 B10R2.7 C1=CC=C2NC=NC2=C1 235007 [1,0,0,1,0,0|1,0,1]=4 411 B10R2.7 C1=CC=C2NCCC2=C1 068790 [1,0,0,1,0,0|1,0,1]=4 412 B10R2.7 C1=CC=C2NN=NC2=C1 003815 [1,0,0,1,0,0|2,0,0]=4 413 B10R2.7 C1=CC=C2OC=NC2=C1 078910 [1,0,0,1,0,0|0,1,1]=4 414 B10R2.7 C1=CC=C2OCCC2=C1 017117 [1,0,0,1,0,0|0,1,1]=4 415 B10R2.7 C1=CC=C2SC=NC2=C1 093451 [1,0,0,1,0,0|0,0,2]=4 416 B12R2.24 S=C1NCC2=C(C=CC=C2)S1 190132 [0,1,0,1,0,0|0,0,2]=4