0 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.17 CNCCC1=NC=CC=C1 R750492 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.17 COCCC1=CC=NC=C1 PH007374 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.17 N#CCCC1=NC=CC=C1 CBR00364 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.17 N#CCNC1=CC=CC=C1 CDS003237 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.17 NCCCC1=CN=CN=C1 PH019029 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [0,0,0,0,0,0|0,0,0]=0 20 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.17 [C-]#[N+]CCC1=NC=CC=C1 PH015418 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.17 [N-]=[N+]=NCC1=CN=CC=C1 CBR01635 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,0,0,0,0,0|1,0,2]=4 26 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 CCOC1=CC=CC=N1 S442267 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.8 CNCC1=NC=NC=C1 PH017743 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.8 CNCC1=NC=NC=C1 PH019105 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.8 COCC1=CC=CC=N1 S363146 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [1,0,0,0,0,0|2,0,1]=4 44 B11R1.1 BrCCOC1=CC=C(C=C1)Br S463000 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.1 C#CCOC1=CC=C(C=C1)F CDS024010 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.1 C#CCSC1=CC=C(C=C1)Br CDS024016 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.1 C=CCOC1=CC=C(C=C1)C S433047 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.1 C=CCSC1=CC=C(C=C1)Br S767891 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.1 C=CCSC1=CC=C(C=C1)C S648388 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.1 CC1=CC=C(C=C1)CCNN PH018986 [0,1,0,0,0,0|0,0,0]=1 51 B11R1.1 CC1=CC=C(C=C1)OCC#N S114081 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.1 CC1=CC=C(C=C1)OCCBr PH000131 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.1 CC1=CC=C(C=C1)OCCN OTV000145 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.1 CC1=CC=C(C=C1)SCCO S550264 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.1 CCCSC1=CC=C(C=C1)C S832839 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.1 CCCSC1=CC=C(C=C1)N CBR01435 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.1 CSCSC1=CC=C(C=C1)C S592749 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.1 ClCCSC1=CC=C(C=C1)Cl S614041 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.1 N#CCCC1=CC=C(C=C1)O PH011727 [0,1,0,0,0,0|1,0,1]=3 63 B11R1.1 N#CCNC1=CC=C(C=C1)O S136581 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.1 N#CCNC1=CC=C(C=C1)O S245933 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.1 N#CCNC1=CC=C(C=C1)O S281433 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.1 N#CCOC1=CC=C(C=C1)Br VBP00033 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.1 N#CCSC1=CC=C(C=C1)Cl EME00140 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.1 N#CSCC1=CC=C(C=C1)Br L308307 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.1 NC1=CC=C(C=C1)NCCO TMT00030 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.1 NCCCC1=CC=C(C=C1)F CDS009095 [0,1,0,0,0,0|1,0,0]=2 71 B11R1.1 NCCOC1=CC=C(C=C1)F CBR00598 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.1 NCCSC1=CC=C(C=C1)Cl L308153 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.1 NNCCC1=CC=C(C=C1)F PH019072 [0,1,0,0,0,0|0,0,0]=1 75 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.1 OCCOC1=CC=C(C=C1)Cl S359610 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.1 OCCSC1=CC=C(C=C1)Cl L308781 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.1 [C-]#[N+]CCC1=CC=C(C=C1)F PH015031 [0,1,0,0,0,0|1,0,1]=3 81 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.16 C=CCN(C)C1=CC=CC=C1 S438677 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.16 CC(/C=N/O)C1=CC=CC=C1 S619094 [0,1,0,0,0,0|1,0,2]=4 85 B11R1.16 CC(N=C=S)C1=CC=CC=C1 S645478 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.16 CC(N=[N+]=[N-])C1=CC=CC=C1 PH018363 [0,1,0,0,0,0|1,0,2]=4 87 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.16 COCC(N)C1=NC=CC=C1 CBR02363 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.16 ONCC(O)C1=CC=CC=C1 S662003 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.17 C=CCNC1=CC=CC=C1C S432768 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.17 C=CCOC1=CC=CC=C1C S432911 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.17 C=CCOC1=CC=CC=C1Cl S544744 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.17 C=CCSC1=CC=CC=C1N PH000451 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.17 CC1=C(C=CC=C1)NCC#N PH010275 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.17 CC1=C(C=CC=C1)NCCN PH010276 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.17 CC1=C(C=CC=C1)OCC#N S84612 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.17 CC1=C(C=CC=C1)OCCN R414298 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.17 CC1=C(N=CC=C1)NCCN CBR01323 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.17 CC1=CC=CC=C1OCCN OTV000147 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.17 CCCCC1=C(C=CC=C1)N CDS000462 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.17 CCCOC1=CC=CC=C1N CDS014846 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.17 CCCSC1=CC=CC=C1N PH000487 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.17 COCCC1=CC=CC=C1Br S809608 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.17 COCOC1=CC=CC=C1Br CBR01868 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.17 N#CCCN1C=CC=CC1=O PH010422 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.17 NC1=NC=CC=C1CCCO ADE000774 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.17 NCCCC1=C(C=CC=C1)F CBR02360 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.17 NCCCN1C=CC=CC1=O CBR01559 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.17 NCCOC1=C(C=CC=C1)Cl R414425 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.17 NCCOC1=CC=CC=C1F CBR00831 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.17 OCCCC1=C(C=CN=C1)O ADE000771 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.24 C#CCOC1=CC(=CC=C1)Br CDS023209 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.24 CC1=CC(=CC=C1)CCCN CBR00042 [0,1,0,0,0,0|1,0,0]=2 123 B11R1.24 CC1=CC(=CC=C1)CSC#N S411485 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.24 CC1=CC(=CC=C1)OCC#N OTV000130 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.24 CC1=CC(=CC=C1)OCCBr PH000370 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.24 CC1=CC(=CC=C1)OCCO S538558 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.24 CC1=CC(=NC=C1)NCCN PH015402 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.24 CC1=CC=CC(=C1)CCNN PH019073 [0,1,0,0,0,0|0,0,0]=1 129 B11R1.24 CC1=CC=CC(=C1)CN=[N+]=[N-] CDS015331 [0,1,0,0,0,0|1,0,2]=4 130 B11R1.24 CC1=CC=CC(=C1)OCCN R414271 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.24 CCCOC1=CC=CC(=C1)N CDS001846 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.24 COCCC1=CC=CC(=N1)C S369543 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.24 ClC1=CC(=CC=C1)CCCBr PH011322 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.24 N#CCCC1=CC(=CC=C1)Br CDS003023 [0,1,0,0,0,0|1,0,1]=3 135 B11R1.24 NC1=CC=CC(=C1)OCCO CBR00211 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.24 NNCCC1=CC(=CC=C1)F PH019005 [0,1,0,0,0,0|0,0,0]=1 137 B11R1.24 OCCCC1=CC=CC(=C1)Cl PH002730 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.24 OCCOC1=CC=CC(=C1)O CDS003378 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.28 C#CCCCC1=CC=CC=C1 CDS001437 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.28 C#CCOCC1=CC=CC=C1 T268720 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.28 C=CCNCC1=CC=CC=C1 ANV00005 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.28 C=CCNCC1=CC=CC=C1 CBR01347 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.28 C=CCNCC1=NC=CC=C1 CDS020991 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.28 CC#CCOC1=CC=CC=C1 PH009632 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.28 CCCCOC1=NC=CC=C1 S434299 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.28 CCNCCC1=CC=CC=N1 S361453 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.28 CCNCCC1=CC=NC=C1 OTV000969 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.28 CCOCCC1=CC=CC=N1 S361402 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.28 CCOCCC1=CC=NC=C1 S368741 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [0,1,0,0,0,0|1,0,0]=2 155 B11R1.28 COCCOC1=CC=CC=C1 S793000 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.28 Cl/C=C/CSC1=CC=CC=C1 S722243 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.28 ClCCCSC1=CC=CC=C1 S799211 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.28 N#CCOCC1=CC=CC=C1 S240400 [0,1,0,0,0,0|1,0,1]=3 162 B11R1.28 NCCCNC1=CC=CC=C1 CDS021448 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.28 NCCCNC1=CC=CC=N1 PH014605 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.28 NCCCOC1=CC=CC=C1 PH010546 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.28 NCCCOC1=CC=CC=C1 VBP00077 [0,1,0,0,0,0|1,0,0]=2 166 B11R1.28 NNCCCC1=CC=NC=C1 PH019436 [0,1,0,0,0,0|1,0,0]=2 167 B11R1.28 NNCCCC1=NC=CC=C1 PH019447 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.28 NOCCOC1=CC=CC=C1 CDS015326 [0,1,0,0,0,0|1,0,0]=2 169 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [0,1,0,0,0,0|1,0,1]=3 170 B11R1.28 OCC/N=C/C1=CC=CC=C1 PH007114 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.28 OCCCNC1=NC=CC=C1 EME00343 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.28 OCCCSC1=CC=CC=C1 S799238 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.28 OCCNCC1=NC=CC=C1 PH014542 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [0,1,0,0,0,0|0,0,0]=1 175 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.40 CNC(C)CC1=NC=CC=C1 CBR00462 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,1,0,0,0,0|1,0,2]=4 182 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,1,0,0,0,0|1,0,2]=4 183 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,1,0,0,0,0|1,0,1]=3 185 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.40 OC(CCl)C[N+]1=CC=CC=C1 S65065 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [0,1,0,0,0,0|1,0,0]=2 199 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 R428108 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 S361119 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.91 CN(C)CCC1=CC=NC=C1 PH000201 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.91 CN(C)CCC1=CN=CC=N1 PH012649 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.91 CN(C)CCC1=NC=CC=C1 PH000750 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.91 CN(C)CCC1=NC=CC=C1 S456276 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [0,1,0,0,0,0|0,0,0]=1 207 B11R1.91 CN(O)CCC1=CC=NC=C1 PH008939 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.91 N=C(N)CCC1=NC=CC=C1 PH015393 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,1,0,0,0,0|2,0,0]=3 215 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [0,1,0,0,0,0|2,1,0]=4 224 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,0,0,1,0,0|3,0,0]=4 225 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,0,0,1,0,0|3,0,0]=4 226 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [0,0,0,1,0,0|2,0,0]=3 227 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,0,0,1,0,0|3,0,0]=4 228 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [0,0,0,1,0,0|1,0,0]=2 229 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [0,0,0,1,0,0|2,0,1]=4 230 B11R2.20 C1=CC=C2OCCNC2=C1 CDS019685 [0,0,0,1,0,0|2,0,0]=3 231 B11R2.20 C1=CN=C2CCCNC2=C1 T316458 [0,0,0,1,0,0|2,0,0]=3 232 B11R2.20 C1=CN=C2NCCCC2=C1 CDS022647 [0,0,0,1,0,0|2,0,0]=3 233 B11R2.20 C1=CN=C2OCCNC2=C1 ADE001247 [0,0,0,1,0,0|3,0,0]=4 234 B11R2.20 C1=NC=C2CCCNC2=C1 CDS016859 [0,0,0,1,0,0|2,0,0]=3 235 B11R2.20 C1=NC=C2CCCOC2=C1 ADE000002 [0,0,0,1,0,0|3,0,0]=4 236 B11R2.20 C1=NC=C2OCCNC2=C1 ADE001246 [0,0,0,1,0,0|3,0,0]=4 237 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [0,0,0,1,0,0|3,0,0]=4 238 B11R2.239 C1=CC(=CC=N1)C2CNC2 PH019033 [0,0,0,1,0,0|2,0,0]=3 239 B11R2.239 C1=CC(=NN=C1)C2CNC2 PH019031 [0,0,0,1,0,0|3,0,0]=4 240 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [0,0,0,1,0,0|1,0,0]=2 241 B11R2.239 C1=CN=C(C=C1)C2CNC2 PH018991 [0,0,0,1,0,0|2,0,0]=3 242 B11R2.239 C1=CN=C(N=C1)C2CNC2 PH018956 [0,0,0,1,0,0|3,0,0]=4 243 B11R2.239 C1=CN=CC(=C1)C2CNC2 PH019032 [0,0,0,1,0,0|2,0,0]=3 244 B11R2.239 C1=NC=C(C=N1)C2CNC2 PH019030 [0,0,0,1,0,0|3,0,0]=4 245 B9R1.12 CCCCC1=CC=CO1 CDS001204 [0,0,0,0,1,0|3,0,0]=4 246 B9R1.12 CCCCC1=CC=CS1 CDS001487 [0,0,0,0,1,0|3,0,0]=4 247 B9R1.12 CNCCN1C=CN=C1 CBR02318 [0,0,0,0,1,0|3,0,0]=4 248 B9R1.12 N#CCCC1=CC=CO1 T208493 [0,0,0,0,1,0|2,0,1]=4 249 B9R1.12 N#CCCC1=CC=CS1 PH001287 [0,0,0,0,1,0|2,0,1]=4 250 B9R1.12 NCCCC1=CC=CO1 CBR00236 [0,0,0,0,1,0|2,0,0]=3 251 B9R1.12 NCCCC1=CNN=C1 CDS001685 [0,0,0,0,1,0|3,0,0]=4 252 B9R1.12 NCCCN1C=CC=C1 CDS020841 [0,0,0,0,1,0|2,0,0]=3 253 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 254 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|0,0,2]=4 255 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|0,0,2]=4 256 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|0,0,2]=4 257 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|0,0,0]=2 259 B8R1.2 NCC1=CN=CC=C1 S763780 [2,0,0,0,0,0|1,0,0]=3 260 B8R1.2 NCC1=CN=CC=N1 CDS009594 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|1,1,0]=4 262 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|2,0,0]=4 263 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,1,0,0,0,0|0,0,0]=2 264 B10R1.1 CC1=CC=C(C=N1)CNN PH019120 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.1 CC1=CN=C(C=C1)CNN PH019260 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.1 CC1=CN=C(C=N1)CNN PH019269 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.1 CNCC1=CC=C(N=C1)Cl CBR01530 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [1,1,0,0,0,0|0,0,0]=2 282 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [1,1,0,0,0,0|1,0,1]=4 283 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [1,1,0,0,0,0|0,0,0]=2 284 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [1,1,0,0,0,0|0,0,0]=2 285 B10R1.4 CC1=CC=CN=C1CCN CDS009037 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.4 CC1=NC=CC=C1CNN PH019261 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.4 CCNC1=CC=CC=C1C S571016 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.4 CCOC1=CC=CC=C1F S362085 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.4 CNCC1=CC=CN=C1Cl CBR00860 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.4 CSCC1=CC=CC=C1Br S663395 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [1,1,0,0,0,0|0,0,0]=2 295 B10R1.4 NCCN1C=CC=CC1=O PH019084 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.4 NCCN1C=CC=CC1=O T300829 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [1,1,0,0,0,0|0,0,0]=2 298 B10R1.4 O=C1C=CC=CN1CCO T161284 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [1,1,0,0,0,0|1,0,1]=4 301 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [1,1,0,0,0,0|0,0,0]=2 302 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.10 CC1=CC=CC(=N1)CNN PH019298 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.10 CC1=NC=CC(=C1)CNN PH019247 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.10 CNCC1=CC=CC(=N1)N PH015469 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.10 CNCC1=NC(=CC=C1)C S363774 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [1,1,0,0,0,0|0,0,0]=2 315 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [1,1,0,0,0,0|0,0,0]=2 316 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [1,1,0,0,0,0|1,0,1]=4 318 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [1,1,0,0,0,0|0,0,0]=2 320 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [1,1,0,0,0,0|0,0,0]=2 333 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [1,1,0,0,0,0|0,0,1]=3 334 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.18 BrC(Br)[Hg]C1=CC=CC=C1 S110507 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,1,0,0,0,0|0,0,0]=2 344 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.11 CNC[C@@H](O)C1=CC=CO1 PH008825 [0,1,0,0,1,0|2,0,0]=4 348 B10R1.27 NNC(=O)CC1=CSC=C1 CDS014395 [0,1,0,0,1,0|1,0,1]=4 349 B12R1.1 BrCCCOC1=CC=C(C=C1)Br PH000245 [0,2,0,0,0,0|2,0,0]=4 350 B12R1.1 CC1=CC=C(C=C1)CCCCO JRD0946 [0,2,0,0,0,0|2,0,0]=4 351 B12R1.1 CC1=CC=C(C=C1)NCCC#N S745715 [0,2,0,0,0,0|1,0,1]=4 352 B12R1.1 CC1=CC=C(C=C1)OCCCBr PH011050 [0,2,0,0,0,0|2,0,0]=4 353 B12R1.1 CC1=CC=C(C=C1)OCCNN PH019543 [0,2,0,0,0,0|0,0,0]=2 354 B12R1.1 CC1=CC=C(C=C1)SCCC#N PH009968 [0,2,0,0,0,0|1,0,1]=4 355 B12R1.1 CC1=CN=C(C=C1)NCCCN CBR01354 [0,2,0,0,0,0|2,0,0]=4 356 B12R1.1 CCCCOC1=CC=C(C=C1)Br PH014759 [0,2,0,0,0,0|2,0,0]=4 357 B12R1.1 CCCCSC1=CC=C(C=C1)C S799149 [0,2,0,0,0,0|2,0,0]=4 358 B12R1.1 CCCNCC1=CC=C(C=C1)Cl PH010169 [0,2,0,0,0,0|2,0,0]=4 359 B12R1.1 CNCCOC1=CC=C(C=C1)C PH012059 [0,2,0,0,0,0|1,0,0]=3 360 B12R1.1 ClCCCSC1=CC=C(C=C1)Br S799203 [0,2,0,0,0,0|2,0,0]=4 361 B12R1.1 ClCCCSC1=CC=C(C=C1)Cl S803723 [0,2,0,0,0,0|2,0,0]=4 362 B12R1.1 ClCCNCC1=CC=C(C=C1)Cl S377902 [0,2,0,0,0,0|2,0,0]=4 363 B12R1.1 ClCCSCC1=CC=C(C=C1)Cl S637939 [0,2,0,0,0,0|2,0,0]=4 364 B12R1.1 ClCNCNC1=CC=C(C=C1)I R433829 [0,2,0,0,0,0|2,0,0]=4 365 B12R1.1 FC1=CC=C(C=C1)OCCCBr PH011047 [0,2,0,0,0,0|2,0,0]=4 366 B12R1.1 N#CCCNC1=CC=C(C=C1)Br S745731 [0,2,0,0,0,0|1,0,1]=4 367 B12R1.1 N#CCCNC1=CC=C(C=C1)Cl S742872 [0,2,0,0,0,0|1,0,1]=4 368 B12R1.1 N#CCCSC1=CC=C(C=C1)Cl S614424 [0,2,0,0,0,0|1,0,1]=4 369 B12R1.1 NCCCOC1=CC=C(C=C1)Cl PH011995 [0,2,0,0,0,0|1,0,0]=3 370 B12R1.1 O=CNCCC1=CC=C(C=C1)Br PH000598 [0,2,0,0,0,0|1,0,0]=3 371 B12R1.1 O=CNCCC1=CC=C(C=C1)O PH010511 [0,2,0,0,0,0|1,0,0]=3 372 B12R1.1 OCCCCC1=CC=C(C=C1)Br JRD0948 [0,2,0,0,0,0|2,0,0]=4 373 B12R1.1 OCCCCC1=CC=C(C=C1)Cl JRD0947 [0,2,0,0,0,0|2,0,0]=4 374 B12R1.1 OCCCCC1=CC=C(C=C1)F JRD0949 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.1 OCCCOC1=CC=C(C=C1)F PH016159 [0,2,0,0,0,0|2,0,0]=4 376 B12R1.1 OCCNCC1=CC=C(C=C1)Cl S378291 [0,2,0,0,0,0|2,0,0]=4 377 B12R1.1 OCCSCC1=CC=C(C=C1)Cl S614092 [0,2,0,0,0,0|2,0,0]=4 378 B12R1.16 C=CCC(N)C1=CC=C(C=C1)F PH014951 [0,2,0,0,0,0|2,0,0]=4 379 B12R1.16 CCCC(O)C1=CC=C(C=C1)Br S431877 [0,2,0,0,0,0|2,0,0]=4 380 B12R1.16 CCCC(O)C1=CC=C(C=C1)C S446955 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.16 CCCC(O)C1=CC=C(C=C1)Cl S418080 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.16 CCCC(O)C1=CC=C(C=C1)F S447226 [0,2,0,0,0,0|2,0,0]=4 383 B12R1.16 CNCC(O)C1=CC=C(C=C1)O S433233 [0,2,0,0,0,0|1,0,0]=3 384 B12R1.21 CC(C)CCC1=CC=C(C=C1)O S511803 [0,2,0,0,0,0|2,0,0]=4 385 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)N S343307 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S452254 [0,2,0,0,0,0|1,0,0]=3 387 B12R1.21 CN(C)CSC1=CC=C(C=C1)Cl PH007326 [0,2,0,0,0,0|2,0,0]=4 388 B12R1.21 N=C(N)COC1=CC=C(C=C1)Br CBR01126 [0,2,0,0,0,0|2,0,0]=4 389 B12R1.21 N=C(N)COC1=CC=C(C=C1)F PH015367 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.21 N=C(N)SCC1=CC=C(C=C1)Cl PH012544 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.21 N=C(N)SCC1=CC=C(C=C1)F T165948 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [0,2,0,0,0,0|1,0,0]=3 393 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.21 NC(=[S+]CC1=CC=C(C=C1)Cl)N R278254 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.49 CC1=CC=C(C=C1)CC(O)CCl S838438 [0,2,0,0,0,0|2,0,0]=4 398 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [0,2,0,0,0,0|1,0,0]=3 399 B12R1.49 NC(CC1=CC=C(C=C1)O)N=O PH016710 [0,2,0,0,0,0|1,0,1]=4 400 B12R1.69 CC1=CC(=C(C=C1)OCCN)Br R414468 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.69 CC1=CC(=C(C=C1)OCCN)C R414352 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.69 OCCCC1=C(C=C(C=C1)Cl)Cl PH017193 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.71 CCC1=CC=C(C=C1)OCCN R414301 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.71 CCCCC1=CC=C(C=C1)CN CDS001572 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.71 [C-]#[N+]CCC1=CC=C(C=C1)OC PH015493 [0,2,0,0,0,0|1,0,1]=4 406 B12R1.385 CC1=CC(=CC=C1Cl)OCCN CDS018207 [0,2,0,0,0,0|2,0,0]=4 407 B12R1.385 CCCCC1=CC(=C(C=C1)N)C CDS010548 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.3 COC(CCCl)C1=CC=CC=C1 S352489 [0,2,0,0,0,0|2,0,0]=4 409 B12R1.3 OCCC(CO)C1=CC=CC=C1 PH007446 [0,2,0,0,0,0|2,0,0]=4 410 B12R1.17 C=CCC(N)C1=CC=CC(=C1)Cl PH015654 [0,2,0,0,0,0|2,0,0]=4 411 B12R1.17 C=CCC(O)C1=CC=CC(=C1)Br PH018221 [0,2,0,0,0,0|2,0,0]=4 412 B12R1.17 CNC[C@H](O)C1=CC(=CC=C1)O CDS000481 [0,2,0,0,0,0|1,0,0]=3 413 B12R1.30 C#CCNC(C)C1=CC=CC=C1 CDS017603 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.30 CC(OCCO)C1=CC=CC=C1 PH001956 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.30 CCCCC(O)C1=CC=CC=C1 S458872 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S412244 [0,2,0,0,0,0|1,0,1]=4 417 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S445061 [0,2,0,0,0,0|1,0,1]=4 418 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [0,2,0,0,0,0|1,0,1]=4 423 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 PH018434 [0,2,0,0,0,0|1,0,0]=3 424 B12R1.34 N#CC(Br)C(Br)C1=CC=CC=C1 S886327 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.34 NC(CO)C(Cl)C1=CC=CC=C1 PH013300 [0,2,0,0,0,0|2,0,0]=4 426 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH011988 [0,2,0,0,0,0|2,0,0]=4 427 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH012669 [0,2,0,0,0,0|2,0,0]=4 428 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH018696 [0,2,0,0,0,0|2,0,0]=4 429 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 PH006903 [0,2,0,0,0,0|0,0,1]=3 430 B12R1.39 C=CCC(C)(O)C1=CC=CC=C1 S837326 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.39 CC(C)(CC#N)C1=CC=CC=C1 PH001293 [0,2,0,0,0,0|1,0,1]=4 432 B12R1.39 CC(C)(C[Hg]Cl)C1=CC=CC=C1 S882038 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.39 CCCC(C)(O)C1=CC=CC=C1 S109665 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.39 CNCC(C)(O)C1=CC=CC=C1 PH015679 [0,2,0,0,0,0|1,0,0]=3 435 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 CDS008511 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.107 CC(CN(C)N)C1=CC=CC=C1 PH001335 [0,2,0,0,0,0|0,0,0]=2 437 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH011871 [0,2,0,0,0,0|1,0,0]=3 438 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH018832 [0,2,0,0,0,0|1,0,0]=3 439 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 PH018728 [0,2,0,0,0,0|1,0,0]=3 440 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [0,2,0,0,0,0|2,0,0]=4 441 B12R1.308 C=CCC(N)C1=C(C=CC=C1)Cl PH014964 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.308 CCCC(C)C1=CC=CC=C1O S371343 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.121 COC1=C(C=CC=C1)CCCO S97595 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.121 COC1=C(C=CC=C1)OCCN CDS000191 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.121 COC1=C(C=CC=C1)OCCN PH009790 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.121 COC1=CC=CC=C1CCCBr PH009801 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.121 COC1=CC=CC=C1CCCN CDS008328 [0,2,0,0,0,0|1,0,0]=3 448 B12R1.125 CC1=C(C=CC=C1)OCC(=S)N OTV000238 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.125 CC1=CC=CC=C1OCC(=O)N R715522 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.125 CC1=CC=CC=[N+]1CCC(=O)N S343285 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.125 N=C(N)CCC1=C(C=CC=C1)Cl PH015728 [0,2,0,0,0,0|1,0,0]=3 452 B12R1.125 N=C(N)SCC1=C(C=CC=C1)Cl T282057 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [0,2,0,0,0,0|2,0,0]=4 454 B12R1.125 NC(=O)COC1=C(C=CC=C1)O CDS020826 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.267 BrCCCOC1=C(C=CC=C1)Br PH011151 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.267 CC1=CC=CC=C1NCCC#N S365092 [0,2,0,0,0,0|1,0,1]=4 458 B12R1.267 CC1=CC=CC=C1OCCCBr PH000372 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.267 CCCCOC1=CC=CC=C1C S518476 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.267 CCCCOC1=CC=CC=C1N CDS001693 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.267 CCCNCC1=CC=CC=C1N PH010097 [0,2,0,0,0,0|2,0,0]=4 462 B12R1.267 CNCCOC1=CC=CC=C1C PH012062 [0,2,0,0,0,0|1,0,0]=3 463 B12R1.267 COCCOC1=C(C=CC=C1)N CBR00261 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.267 ClC1=C(C=CC=C1)OCCCBr PH000248 [0,2,0,0,0,0|2,0,0]=4 465 B12R1.267 N#CCCNC1=CC=CC=C1Cl PH003692 [0,2,0,0,0,0|1,0,1]=4 466 B12R1.371 CNC(C)CC1=NC=CC=C1C PH015005 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.371 NNC(=O)CC1=C(C=CC=C1)F CBR02131 [0,2,0,0,0,0|0,0,1]=3 468 B12R1.371 NNC(=O)CC1=CC=CC=C1O S668850 [0,2,0,0,0,0|0,0,1]=3 469 B12R1.374 CC1=CC=C(C(=C1)CCNN)C PH019452 [0,2,0,0,0,0|0,0,0]=2 470 B12R1.1631 CC1=CC=CC(=C1NCCN)C PH002687 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.1631 CC1=CC=CC(=C1OCCN)C OTV000226 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.1631 CC1=CC=CC(=C1OCCN)C R414344 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.1631 NCCCC1=C(C=CC=C1F)F CDS022487 [0,2,0,0,0,0|1,0,0]=3 474 B12R1.28 CC1=CC(=CC=C1)OCCC#N PH001328 [0,2,0,0,0,0|1,0,1]=4 475 B12R1.28 CC1=CC(=CC=C1)OCCNN PH019453 [0,2,0,0,0,0|0,0,0]=2 476 B12R1.28 CC1=CC(=CC=C1)SCCCCl S799289 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.28 CC1=CC=CC(=C1)OCCCBr PH000366 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.28 CCCCOC1=CC=CC(=C1)N CBR00368 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.28 CCCCOC1=CC=CC(=C1)O PH015345 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.28 COCCOC1=CC(=CC=C1)N CBR01420 [0,2,0,0,0,0|2,0,0]=4 481 B12R1.28 ClC1=CC(=CC=C1)OCCCBr PH000250 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.28 N#CCCNC1=CC=CC(=C1)Cl S295124 [0,2,0,0,0,0|1,0,1]=4 483 B12R1.28 NCCCOC1=CC=CC(=C1)Cl CDS002045 [0,2,0,0,0,0|1,0,0]=3 484 B12R1.100 CC1=CC(=CC(=C1)OCCN)C OTV000146 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.226 CC1=C[N+](=CC=C1)CCC(=O)N S343293 [0,2,0,0,0,0|2,0,0]=4 486 B12R1.226 N=C(N)COC1=CC=CC(=C1)Cl CBR01127 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.226 N=C(N)SCC1=CC(=CC=C1)Cl S533416 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.382 COC1=CC(=CC=C1)CCCN CBR01749 [0,2,0,0,0,0|1,0,0]=3 491 B12R1.382 COC1=CC(=CC=C1)CCCO PH016113 [0,2,0,0,0,0|2,0,0]=4 492 B12R1.382 COC1=CC(=CC=C1)OCCN R414409 [0,2,0,0,0,0|2,0,0]=4 493 B12R1.382 COC1=CC=CC(=C1)CCNN PH019074 [0,2,0,0,0,0|0,0,0]=2 494 B12R1.8 BrCCCCCC1=CC=CC=C1 PH016116 [0,2,0,0,0,0|2,0,0]=4 495 B12R1.8 BrCCCCSC1=CC=CC=C1 PH010302 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.8 C#CCCOCC1=CC=CC=C1 T269069 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.8 CCCCCOC1=CC=CC=C1 S563374 [0,2,0,0,0,0|2,0,0]=4 498 B12R1.8 CCCCN=CC1=CC=CC=C1 S381322 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.8 CCCNCCC1=CC=CC=C1 CBR00107 [0,2,0,0,0,0|1,0,0]=3 500 B12R1.8 CCCNCCC1=NC=CC=C1 VBP00004 [0,2,0,0,0,0|2,0,0]=4 501 B12R1.8 CCNCCCC1=CC=CC=C1 PH014136 [0,2,0,0,0,0|1,0,0]=3 502 B12R1.8 CCNCCOC1=CC=CC=C1 CBR00951 [0,2,0,0,0,0|1,0,0]=3 503 B12R1.8 CNCC/C=C/C1=CN=CC=C1 PH006788 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.8 CNCCNCC1=CC=CC=C1 PH010277 [0,2,0,0,0,0|1,0,0]=3 505 B12R1.8 ClCCCOCC1=CC=CC=C1 PH011743 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.8 N#CCCCCC1=CC=CC=C1 PH002674 [0,2,0,0,0,0|1,0,1]=4 507 B12R1.8 N#CCCCOC1=CC=CC=C1 PH010897 [0,2,0,0,0,0|1,0,1]=4 508 B12R1.8 N#CCCCSC1=CC=CC=C1 S620181 [0,2,0,0,0,0|1,0,1]=4 509 B12R1.8 N#CCCOCC1=CC=CC=C1 ANV00259 [0,2,0,0,0,0|1,0,1]=4 510 B12R1.8 N#CCCSCC1=CC=CC=C1 S614068 [0,2,0,0,0,0|1,0,1]=4 511 B12R1.8 N#CCOCCC1=CC=CC=C1 S148911 [0,2,0,0,0,0|1,0,1]=4 512 B12R1.8 NNCCCCC1=CC=CC=C1 PH018955 [0,2,0,0,0,0|0,0,0]=2 513 B12R1.8 OCCCNCC1=CC=CC=C1 S376310 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.8 OCCCSCC1=CC=CC=C1 T166324 [0,2,0,0,0,0|2,0,0]=4 515 B12R1.8 S=C=NCCCC1=CC=CC=C1 CDS020794 [0,2,0,0,0,0|1,0,1]=4 516 B12R1.27 C=CC(C)CSC1=CC=CC=C1 T215546 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.27 CC(C#N)CSC1=CC=CC=C1 S614289 [0,2,0,0,0,0|1,0,1]=4 518 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.27 CNC(=S)NCC1=CC=CC=C1 R278815 [0,2,0,0,0,0|1,0,1]=4 520 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 PH012682 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [0,2,0,0,0,0|1,0,1]=4 522 B12R1.27 NCC(O)COC1=CC=CC=C1 PH010102 [0,2,0,0,0,0|1,0,0]=3 523 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [0,2,0,0,0,0|0,0,0]=2 524 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [0,2,0,0,0,0|0,0,1]=3 525 B12R1.27 NNC(=S)NCC1=CC=CC=C1 S539333 [0,2,0,0,0,0|0,0,1]=3 526 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.27 OC(CCl)CSC1=CC=CC=C1 PH009388 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.27 OCC(O)CSC1=CC=CC=C1 S614637 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.32 C=CCC(O)CC1=CC=CC=C1 PH010446 [0,2,0,0,0,0|2,0,0]=4 530 B12R1.32 C=CCN(C)CC1=CC=CC=C1 S879746 [0,2,0,0,0,0|2,0,0]=4 531 B12R1.32 C=CCN(N)CC1=CC=CC=C1 PH001229 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.32 CC#CC(O)CC1=CC=CC=C1 S935468 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.32 CC(CCN)SC1=CC=CC=C1 S117501 [0,2,0,0,0,0|1,0,0]=3 534 B12R1.32 CC(CNN)OC1=CC=CC=C1 PH018967 [0,2,0,0,0,0|0,0,0]=2 535 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [0,2,0,0,0,0|1,0,1]=4 537 B12R1.32 CN(CCCl)CC1=CC=CC=C1 S427179 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.32 NCCC(=O)NC1=CC=CC=C1 CBR00894 [0,2,0,0,0,0|1,0,1]=4 539 B12R1.32 O=CNC(=O)CC1=CC=CC=C1 S909793 [0,2,0,0,0,0|1,0,1]=4 540 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [0,2,0,0,0,0|1,0,0]=3 543 B12R1.252 CC(C)CCNC1=CC=CC=C1 S705780 [0,2,0,0,0,0|2,0,0]=4 544 B12R1.252 CC(C)CNCC1=CC=CC=C1 CBR01593 [0,2,0,0,0,0|2,0,0]=4 545 B12R1.252 CC(C)NCCC1=CC=CC=N1 PH010347 [0,2,0,0,0,0|2,0,0]=4 546 B12R1.252 CC(O)CCCC1=CC=CC=C1 PH000677 [0,2,0,0,0,0|2,0,0]=4 547 B12R1.252 CC(O)CCSC1=CC=CC=C1 T233005 [0,2,0,0,0,0|2,0,0]=4 548 B12R1.252 CC(O)CNCC1=CC=CC=C1 PH009735 [0,2,0,0,0,0|2,0,0]=4 549 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [0,2,0,0,0,0|2,0,0]=4 550 B12R1.252 CN(C)C/C=C/C1=CC=CC=C1 S933392 [0,2,0,0,0,0|1,0,1]=4 551 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 PH007995 [0,2,0,0,0,0|2,0,0]=4 552 B12R1.252 N=C(N)CCCC1=CC=CC=N1 PH015391 [0,2,0,0,0,0|2,0,0]=4 553 B12R1.252 N=C(N)NCCC1=CC=CC=C1 S370282 [0,2,0,0,0,0|0,0,0]=2 554 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [0,2,0,0,0,0|1,0,0]=3 555 B12R1.252 NC(=O)CSCC1=CC=CC=C1 S614386 [0,2,0,0,0,0|1,0,0]=3 556 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [0,2,0,0,0,0|0,0,0]=2 557 B12R1.252 NC(=S)NCCC1=CC=CC=C1 PH011268 [0,2,0,0,0,0|0,0,0]=2 558 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 PH000271 [0,2,0,0,0,0|2,0,0]=4 559 B12R1.252 O=C(O)CCNC1=CC=CC=C1 R155780 [0,2,0,0,0,0|2,0,0]=4 560 B12R1.252 O=C(O)CCSC1=CC=CC=C1 L305855 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 S949442 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.252 [SiH](C)(C)CCCC1=CC=CC=C1 S829870 [0,2,0,0,0,0|2,0,0]=4 563 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [0,2,0,0,0,0|1,0,0]=3 564 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [0,2,0,0,0,0|1,0,0]=3 565 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [0,2,0,0,0,0|1,0,0]=3 566 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 S889105 [0,2,0,0,0,0|1,0,1]=4 567 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N PH015234 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N CBR01175 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.43 CN(N)C(=S)NC1=CC=CC=C1 PH009743 [0,2,0,0,0,0|1,0,1]=4 570 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [0,2,0,0,0,0|2,0,0]=4 572 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [0,2,0,0,0,0|2,0,0]=4 573 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 PH008400 [0,2,0,0,0,0|1,0,0]=3 574 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 OTV000771 [0,2,0,0,0,0|1,0,1]=4 575 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 PH007325 [0,2,0,0,0,0|1,0,0]=3 576 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 R425613 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 PH010917 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.194 CNS(=O)(=O)CC1=CC=CC=C1 PH011278 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.891 C[Si](Cl)(Cl)CCC1=CC=CC=C1 S585440 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 L496227 [0,2,0,0,0,0|1,1,0]=4 581 B10R1.78 C=C1C=CC=CCCCC1 T211605 [0,0,1,1,0,0|2,0,0]=4 582 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [1,0,0,1,0,0|1,0,0]=3 583 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [1,0,0,1,0,0|2,0,0]=4 584 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|1,0,1]=4 585 B10R2.32 NC1CCC2=C1C=CS2 CDS009121 [0,0,0,1,1,0|2,0,0]=4 586 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 T263664 [0,1,0,1,0,0|2,0,0]=4 587 B12R2.24 BrC1=CC=C2CCNCC2=C1 CDS020020 [0,1,0,1,0,0|1,0,0]=3 588 B12R2.24 BrC1=CC=C2CNCCC2=C1 CDS010128 [0,1,0,1,0,0|1,0,0]=3 589 B12R2.24 BrC1=CC=C2OCCNC2=C1 VBP00109 [0,1,0,1,0,0|2,0,0]=4 590 B12R2.24 BrC1=CC=C2SCCNC2=C1 VBP00120 [0,1,0,1,0,0|2,0,0]=4 591 B12R2.24 BrC1=CN=C2CCNCC2=C1 PHB00087 [0,1,0,1,0,0|2,0,0]=4 592 B12R2.24 CC1=CC=C2CCCNC2=N1 CDS020000 [0,1,0,1,0,0|2,0,0]=4 593 B12R2.24 CC1=CC=C2CCNCC2=C1 MNO000106 [0,1,0,1,0,0|1,0,0]=3 594 B12R2.24 CC1CNC2=CC=CC=C2O1 VBP00114 [0,1,0,1,0,0|2,0,0]=4 595 B12R2.24 ClC1=CC=C2CNCCC2=C1 CDS020263 [0,1,0,1,0,0|1,0,0]=3 596 B12R2.24 ClC1=CC=C2OCCNC2=C1 CDS016427 [0,1,0,1,0,0|2,0,0]=4 597 B12R2.24 ClC1=CC=C2OCCNC2=C1 VBP00272 [0,1,0,1,0,0|2,0,0]=4 598 B12R2.24 N=C1CSC2=C(N1)C=CC=C2 PH008148 [0,1,0,1,0,0|2,0,0]=4 599 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [0,1,0,1,0,0|2,0,0]=4 600 B12R2.24 NC1COC2=CC=CC=C2C1 CBR01531 [0,1,0,1,0,0|2,0,0]=4 601 B12R2.24 NC1COC2=CC=CC=C2C1 CDS007242 [0,1,0,1,0,0|2,0,0]=4 602 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,1,0,1,0,0|2,0,0]=4 603 B12R2.24 OC1=CC=C2CCCNC2=C1 CDS019987 [0,1,0,1,0,0|1,0,0]=3 604 B12R2.24 OC1CCC2=C(C1)C=CC=C2 TMT00302 [0,1,0,1,0,0|2,0,0]=4 605 B12R2.24 OC1CCC2=CC=CC=C2O1 PH008577 [0,1,0,1,0,0|2,0,0]=4 606 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,1,0,1,0,0|1,0,0]=3 607 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [0,1,0,1,0,0|2,0,0]=4 608 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [0,1,0,1,0,0|2,0,0]=4 609 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 CDS003996 [0,1,0,1,0,0|2,0,0]=4 610 B12R2.132 NC1CCC2=CC=C(C=C12)Cl CDS009346 [0,1,0,1,0,0|1,0,0]=3 611 B12R2.2302 FC1=CC=C(C=C1)C2CNC2 CDS020373 [0,1,0,1,0,0|1,0,0]=3 612 B12R2.2 C1=CC(=CC=N1)C2CCCN2 CDS006470 [0,1,0,1,0,0|2,0,0]=4 613 B12R2.2 C1=CC=C(C=C1)C2=CCCC2 L170011 [0,1,0,1,0,0|2,0,0]=4 614 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S109770 [0,1,0,1,0,0|2,0,0]=4 615 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S549312 [0,1,0,1,0,0|2,0,0]=4 616 B12R2.2 C1=CC=C(C=C1)C2NCCS2 S204609 [0,1,0,1,0,0|1,0,0]=3 617 B12R2.2 C1=CC=C(C=C1)C2OCCS2 S653845 [0,1,0,1,0,0|2,0,0]=4 618 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 CDS009943 [0,1,0,1,0,0|1,0,0]=3 619 B12R2.2 C1=CC=C(N=C1)C2CCCN2 MNO000103 [0,1,0,1,0,0|2,0,0]=4 620 B12R2.27 N#CC1C[C@@H]1C2=CC=CC=C2 S446866 [0,1,0,1,0,0|1,0,1]=4 621 B12R2.1081 BrC1=CC=CC2=C1CCCC2 CDS007742 [0,1,0,1,0,0|2,0,0]=4 622 B12R2.1081 CC1=CC=CC2=C1NCCC2 CDS013606 [0,1,0,1,0,0|1,0,0]=3 623 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [0,1,0,1,0,0|1,0,1]=4 624 B12R2.1081 NC1=C2CCCNC2=CC=C1 PH003531 [0,1,0,1,0,0|1,0,0]=3 625 B12R2.1081 NC1=CC=CC2=C1CCCC2 T281816 [0,1,0,1,0,0|2,0,0]=4 626 B12R2.1081 O=C1CCNC2=CC=CC=C12 CDS014814 [0,1,0,1,0,0|1,0,1]=4 627 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [0,1,0,1,0,0|2,0,0]=4 628 B12R2.1081 O=C1NOCC2=C1C=CC=C2 PH009154 [0,1,0,1,0,0|2,0,0]=4 629 B12R2.1081 O=S1CCNC2=CC=CC=C12 T324086 [0,1,0,1,0,0|2,0,0]=4 630 B12R2.1081 OC1=CC=CC2=C1C=CCC2 PH008627 [0,1,0,1,0,0|2,0,0]=4 631 B12R2.1081 OC1=CC=CC2=C1NCCC2 CDS019675 [0,1,0,1,0,0|1,0,0]=3 632 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 CDS015636 [0,1,0,1,0,0|2,0,0]=4 633 B12R2.32 CNC1CC2=CC=CC=C2C1 CBR01430 [0,1,0,1,0,0|1,0,0]=3 634 B12R2.32 NNC1CC2=C(C1)C=CC=C2 CBR01348 [0,1,0,1,0,0|0,0,0]=2 635 B12R2.32 NNC1CC2=CC=CC=C2C1 PH019071 [0,1,0,1,0,0|0,0,0]=2 636 B12R2.196 O=C1CCC2=C(C=CC=C12)Cl JRD0942 [0,1,0,1,0,0|2,0,0]=4 637 B12R2.203 O=C1CCC2=C1C(=CC=C2)S T285455 [0,1,0,1,0,0|2,0,0]=4 638 B12R2.612 CC1=CC=C2C(=C1)CCC2N CDS003487 [0,1,0,1,0,0|1,0,0]=3 639 B12R2.612 O=C1CCC2=C1C=CC(=C2)S T285463 [0,1,0,1,0,0|2,0,0]=4 640 B12R2.2313 ClC1=CC=CC(=C1)C2CNC2 CDS020411 [0,1,0,1,0,0|1,0,0]=3 641 B12R2.1 NNC1CCC2=CC=CC=C12 PH019558 [0,1,0,1,0,0|0,0,0]=2 642 B12R2.2057 C1=CC=C(C=C1)CNC2CC2 CDS004803 [0,1,0,1,0,0|2,0,0]=4 643 B12R2.18 CC1CC2=C(N1C)C=CC=C2 S786780 [0,1,0,1,0,0|1,0,0]=3 644 B12R2.18 NC1C2=C(C=CC=C2)CC1Cl S988677 [0,1,0,1,0,0|1,0,0]=3 645 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,1,0,1,0,0|0,0,1]=3 646 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [0,1,0,1,0,0|1,0,1]=4 647 B12R2.92 BrC1(CC1C2=CC=CC=C2)Br L168734 [0,1,0,1,0,0|2,0,0]=4 648 B8R1.8 CCCN1C=CC=C1 PH010280 [1,0,0,0,1,0|2,0,0]=4 649 B8R1.8 CNCC1=CC=CS1 CDS004831 [1,0,0,0,1,0|2,0,0]=4 650 B8R1.8 CNCC1=CC=CS1 PH012021 [1,0,0,0,1,0|2,0,0]=4 651 B8R1.8 CNCC1=CSC=C1 PH015792 [1,0,0,0,1,0|2,0,0]=4 652 B8R1.8 NCCC1=CC=CO1 CBR02448 [1,0,0,0,1,0|1,0,0]=3 653 B8R1.8 NCCN1C=CC=N1 CDS008012 [1,0,0,0,1,0|2,0,0]=4 654 B8R1.8 NNCC1=CC=CS1 CBR01534 [1,0,0,0,1,0|1,0,0]=3 655 B8R1.8 OCCN1C=CC=C1 CDS000018 [1,0,0,0,1,0|2,0,0]=4