0 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [0,0,0,0,0,0|3,0,0]=3 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|3,0,1]=4 9 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.17 CNCCC1=NC=CC=C1 R750492 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.17 COCCC1=CC=NC=C1 PH007374 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.17 N#CCCC1=NC=CC=C1 CBR00364 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.17 N#CCNC1=CC=CC=C1 CDS003237 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.17 [C-]#[N+]CCC1=NC=CC=C1 PH015418 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.17 [N-]=[N+]=NCC1=CN=CC=C1 CBR01635 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [0,0,0,0,0,0|2,0,1]=3 23 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,0,0,0,0,0|1,0,2]=4 25 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 CCOC1=CC=CC=N1 S442267 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.8 COCC1=CC=CC=N1 S363146 [1,0,0,0,0,0|1,0,1]=3 31 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.8 O=C=NC1=CC=CN=C1 CDS004476 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [1,0,0,0,0,0|1,0,2]=4 38 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [1,0,0,0,0,0|1,0,2]=4 39 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [1,0,0,0,0,0|1,1,1]=4 40 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [1,0,0,0,0,0|1,1,1]=4 41 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [1,0,0,0,0,0|1,1,1]=4 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 C(=O)NNC1=CC=C(C=C1)C R751820 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.1 C=CCOC1=CC=C(C=C1)C S433047 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.1 C=CCSC1=CC=C(C=C1)Br S767891 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.1 C=CCSC1=CC=C(C=C1)C S648388 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.1 CC1=CC=C(C=C1)CCNN PH018986 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.1 N#CCCC1=CC=C(C=C1)O PH011727 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.1 N#CSCC1=CC=C(C=C1)Br L308307 [0,1,0,0,0,0|1,1,1]=4 54 B11R1.1 NCCCC1=CC=C(C=C1)F CDS009095 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.1 NNCCC1=CC=C(C=C1)F PH019072 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.1 O=CNNC1=CC=C(C=C1)Br PH007135 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [0,1,0,0,0,0|1,0,2]=4 60 B11R1.1 [C-]#[N+]CCC1=CC=C(C=C1)F PH015031 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [0,1,0,0,0,0|1,0,0]=2 62 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.16 C=CCN(C)C1=CC=CC=C1 S438677 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.16 CC(/C=N/O)C1=CC=CC=C1 S619094 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.16 CC(N=C=S)C1=CC=CC=C1 S645478 [0,1,0,0,0,0|1,1,1]=4 66 B11R1.16 CC(N=[N+]=[N-])C1=CC=CC=C1 PH018363 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.16 ONCC(O)C1=CC=CC=C1 S662003 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.17 C=CCNC1=CC=CC=C1C S432768 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.17 C=CCOC1=CC=CC=C1C S432911 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.17 C=CCOC1=CC=CC=C1Cl S544744 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.17 C=CCSC1=CC=CC=C1N PH000451 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.17 CCCCC1=C(C=CC=C1)N CDS000462 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.17 COCCC1=CC=CC=C1Br S809608 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.17 NCCCC1=C(C=CC=C1)F CBR02360 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.24 CC1=CC(=CC=C1)CCCN CBR00042 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.24 CC1=CC(=CC=C1)CSC#N S411485 [0,1,0,0,0,0|1,1,1]=4 84 B11R1.24 CC1=CC=CC(=C1)CCNN PH019073 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.24 CC1=CC=CC(=C1)CN=[N+]=[N-] CDS015331 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.24 ClC1=CC(=CC=C1)CCCBr PH011322 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.24 N#CCCC1=CC(=CC=C1)Br CDS003023 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.24 NNCCC1=CC(=CC=C1)F PH019005 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.24 OCCCC1=CC=CC(=C1)Cl PH002730 [0,1,0,0,0,0|1,0,2]=4 90 B11R1.28 C#CCCCC1=CC=CC=C1 CDS001437 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.28 C#CCOCC1=CC=CC=C1 T268720 [0,1,0,0,0,0|1,0,1]=3 92 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.28 C=CCNCC1=CC=CC=C1 ANV00005 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.28 C=CCNCC1=CC=CC=C1 CBR01347 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.28 C=CCNCC1=NC=CC=C1 CDS020991 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.28 CC#CCOC1=CC=CC=C1 PH009632 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [0,1,0,0,0,0|1,0,2]=4 99 B11R1.28 CCOCCC1=CC=CC=N1 S361402 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.28 CCOCCC1=CC=NC=C1 S368741 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.28 COCCOC1=CC=CC=C1 S793000 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.28 Cl/C=C/CSC1=CC=CC=C1 S722243 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.28 ClCCCSC1=CC=CC=C1 S799211 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.28 N#CCOCC1=CC=CC=C1 S240400 [0,1,0,0,0,0|1,0,1]=3 109 B11R1.28 NCCCNC1=CC=CC=C1 CDS021448 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.28 NCCCOC1=CC=CC=C1 PH010546 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.28 NCCCOC1=CC=CC=C1 VBP00077 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.28 NOCCOC1=CC=CC=C1 CDS015326 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.28 O/N=C/C=C/C1=CC=CC=C1 S566209 [0,1,0,0,0,0|1,0,2]=4 114 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [0,1,0,0,0,0|1,0,1]=3 115 B11R1.28 OCCCSC1=CC=CC=C1 S799238 [0,1,0,0,0,0|1,0,2]=4 116 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.91 C1(C=CCC=C1)COC(=O)C T175498 [0,1,0,0,0,0|0,0,2]=3 127 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.91 N=C(N)CCC1=NC=CC=C1 PH015393 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [0,1,0,0,0,0|2,1,0]=4 149 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [0,1,0,0,0,0|1,1,0]=3 150 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [0,1,0,0,0,0|1,1,0]=3 151 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [0,1,0,0,0,0|1,0,1]=3 152 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.91 O=C(O)CCC1=NC=CC=N1 S217417 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.91 O=C(O)CCC1=NC=CN=C1 CDS022931 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [0,1,0,0,0,0|1,0,1]=3 160 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [0,1,0,0,0,0|1,0,1]=3 161 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [0,1,0,0,0,0|1,0,1]=3 162 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.91 OB(O)O[Hg]C1=CC=CC=C1 S366137 [0,1,0,0,0,0|2,0,1]=4 166 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,0,0,1,0,0|3,0,0]=4 167 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,0,0,1,0,0|3,0,0]=4 168 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,0,0,1,0,0|3,0,0]=4 169 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,0,0,1,0,0|3,0,0]=4 170 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [0,0,0,1,0,0|3,0,0]=4 171 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [0,0,0,1,0,0|3,0,0]=4 172 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,0,0,1,0,0|3,0,0]=4 173 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,0,0,1,0,0|3,0,0]=4 174 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,0,0,1,0,0|1,0,0]=2 175 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,0,0,1,0,0|1,0,0]=2 176 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,0,0,1,0,0|2,1,0]=4 177 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [0,0,0,1,0,0|2,0,1]=4 178 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [0,0,0,1,0,0|2,0,1]=4 179 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [0,0,0,1,0,0|2,0,1]=4 180 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [0,0,0,1,0,0|2,0,0]=3 181 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [0,0,0,1,0,0|3,0,0]=4 182 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [0,0,0,1,0,0|2,0,1]=4 183 B9R1.12 C(=O)/C=C/C1=CC=CN1 L166448 [0,0,0,0,1,0|2,0,1]=4 184 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 185 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [2,0,0,0,0,0|2,0,0]=4 186 B8R1.2 C1(C=CCC=C1)CO T175528 [2,0,0,0,0,0|0,0,2]=4 187 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|0,0,1]=3 188 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|0,0,1]=3 189 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|0,0,1]=3 190 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 191 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|1,0,0]=3 192 B8R1.2 NCC1=CN=CC=C1 S763780 [2,0,0,0,0,0|2,0,0]=4 193 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [2,0,0,0,0,0|2,0,0]=4 194 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|1,0,0]=3 195 B8R1.2 OCC1=CC=CN=N1 CDS015970 [2,0,0,0,0,0|2,0,0]=4 196 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|1,1,0]=4 197 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [1,1,0,0,0,0|1,0,0]=3 198 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,1,0,0,0,0|1,0,1]=4 202 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [1,1,0,0,0,0|1,0,1]=4 203 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [1,1,0,0,0,0|1,0,1]=4 204 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,1,0,0,0,0|1,0,1]=4 205 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,1,0,0,0,0|0,0,1]=3 206 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,1,0,0,0,0|0,1,1]=4 207 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,1,0,0,0,0|0,1,1]=4 208 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [1,1,0,0,0,0|1,0,1]=4 209 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [1,1,0,0,0,0|1,0,1]=4 210 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [1,1,0,0,0,0|1,0,1]=4 213 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [1,1,0,0,0,0|1,0,0]=3 214 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [1,1,0,0,0,0|1,0,0]=3 215 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.4 C=CCN1C=CC=CC1=O T161047 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.4 C=CC[N+]1=CC=CC=C1N S142492 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [1,1,0,0,0,0|1,1,0]=4 219 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.4 CC1=C(N=CC=C1)NC=O S906697 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [1,1,0,0,0,0|1,0,1]=4 222 B10R1.4 CCOC1=CC=CC=C1F S362085 [1,1,0,0,0,0|1,0,1]=4 223 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,1,0,0,0,0|1,0,1]=4 224 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [1,1,0,0,0,0|0,0,1]=3 225 B10R1.4 CSCC1=CC=CC=C1Br S663395 [1,1,0,0,0,0|0,1,1]=4 226 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [1,1,0,0,0,0|1,0,1]=4 227 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [1,1,0,0,0,0|0,0,0]=2 229 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [1,1,0,0,0,0|0,0,0]=2 231 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [1,1,0,0,0,0|1,0,1]=4 234 B10R1.10 COCC1=CC=CC(=N1)C S352160 [1,1,0,0,0,0|1,0,1]=4 235 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [1,1,0,0,0,0|0,1,1]=4 236 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [1,1,0,0,0,0|1,0,1]=4 237 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [1,1,0,0,0,0|0,0,0]=2 240 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [1,1,0,0,0,0|1,0,0]=3 241 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [1,1,0,0,0,0|0,0,2]=4 244 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [1,1,0,0,0,0|1,0,1]=4 245 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [1,1,0,0,0,0|0,0,2]=4 251 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [1,1,0,0,0,0|0,1,0]=3 266 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.16 C(=O)CCC1=CC=C(O1)C L159719 [0,1,0,0,1,0|2,0,0]=4 271 B12R1.1 C/C=C/CNC1=CC=C(C=C1)C S344818 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.1 Cl/C=C/COC1=CC=C(C=C1)Cl TMT00079 [0,2,0,0,0,0|2,0,0]=4 273 B12R1.1 O=CNCCC1=CC=C(C=C1)Br PH000598 [0,2,0,0,0,0|1,0,0]=3 274 B12R1.1 O=CNCCC1=CC=C(C=C1)O PH010511 [0,2,0,0,0,0|1,0,0]=3 275 B12R1.16 C=CCC(N)C1=CC=C(C=C1)F PH014951 [0,2,0,0,0,0|2,0,0]=4 276 B12R1.16 C[C@@H](N=C=O)C1=CC=C(C=C1)F CDS019968 [0,2,0,0,0,0|1,0,1]=4 277 B12R1.16 C[C@H](N=C=O)C1=CC=C(C=C1)F CDS019969 [0,2,0,0,0,0|1,0,1]=4 278 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [0,2,0,0,0,0|2,0,0]=4 279 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)Br TMT00515 [0,2,0,0,0,0|1,0,1]=4 280 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F CDS016057 [0,2,0,0,0,0|1,0,1]=4 281 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [0,2,0,0,0,0|1,0,1]=4 282 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Br VBP00216 [0,2,0,0,0,0|2,0,0]=4 283 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [0,2,0,0,0,0|1,0,0]=3 284 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [0,2,0,0,0,0|0,0,0]=2 285 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)N R640662 [0,2,0,0,0,0|1,0,1]=4 286 B12R1.21 CC1=CC=C(C=C1)OCC(=O)Cl OTV000056 [0,2,0,0,0,0|2,0,0]=4 287 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [0,2,0,0,0,0|2,0,0]=4 288 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)N S343307 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)O OTV000678 [0,2,0,0,0,0|2,0,0]=4 290 B12R1.21 N=C(N)SCC1=CC=C(C=C1)Cl PH012544 [0,2,0,0,0,0|1,1,0]=4 291 B12R1.21 N=C(N)SCC1=CC=C(C=C1)F T165948 [0,2,0,0,0,0|1,1,0]=4 292 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Cl PH010888 [0,2,0,0,0,0|1,0,1]=4 293 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [0,2,0,0,0,0|1,0,0]=3 294 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [0,2,0,0,0,0|2,0,0]=4 295 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [0,2,0,0,0,0|2,0,0]=4 296 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [0,2,0,0,0,0|2,0,0]=4 297 B12R1.21 NC(=[S+]CC1=CC=C(C=C1)Cl)N R278254 [0,2,0,0,0,0|1,1,0]=4 298 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O CDS000175 [0,2,0,0,0,0|1,0,1]=4 299 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [0,2,0,0,0,0|2,0,0]=4 300 B12R1.49 NC(CC1=CC=C(C=C1)O)N=O PH016710 [0,2,0,0,0,0|2,0,0]=4 301 B12R1.3 CC[C@@H](N=C=O)C1=CC=CC=C1 CDS001187 [0,2,0,0,0,0|1,0,1]=4 302 B12R1.17 C=CCC(N)C1=CC=CC(=C1)Cl PH015654 [0,2,0,0,0,0|2,0,0]=4 303 B12R1.17 C=CCC(O)C1=CC=CC(=C1)Br PH018221 [0,2,0,0,0,0|2,0,0]=4 304 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 S437867 [0,2,0,0,0,0|1,0,1]=4 305 B12R1.30 C=CCON(C)C1=CC=CC=C1 S663255 [0,2,0,0,0,0|2,0,0]=4 306 B12R1.30 CC(OCCO)C1=CC=CC=C1 PH001956 [0,2,0,0,0,0|0,0,2]=4 307 B12R1.34 CC(C1=CC=CC=C1)N(C)N=O PH001188 [0,2,0,0,0,0|2,0,0]=4 308 B12R1.39 C=CCC(C)(O)C1=CC=CC=C1 S837326 [0,2,0,0,0,0|2,0,0]=4 309 B12R1.107 C/C(=C\C(=O)N)/C1=CC=CC=C1 PH007020 [0,2,0,0,0,0|1,0,1]=4 310 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [0,2,0,0,0,0|1,0,1]=4 311 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 PH007050 [0,2,0,0,0,0|2,0,0]=4 312 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [0,2,0,0,0,0|1,0,0]=3 313 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 S450545 [0,2,0,0,0,0|1,0,1]=4 314 B12R1.107 O=S([O-])OC(O)C1=NC=CC=C1 R396281 [0,2,0,0,0,0|2,0,0]=4 315 B12R1.308 C=CCC(N)C1=C(C=CC=C1)Cl PH014964 [0,2,0,0,0,0|2,0,0]=4 316 B12R1.308 C=COC(=O)C1=CC=CC=C1O S375306 [0,2,0,0,0,0|1,0,1]=4 317 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [0,2,0,0,0,0|2,0,0]=4 318 B12R1.125 CC(=O)OCC1=C(C=NC=C1)C T161446 [0,2,0,0,0,0|1,0,0]=3 319 B12R1.125 CC(=O)OCC1=C(C=NC=C1)Cl T161071 [0,2,0,0,0,0|1,0,0]=3 320 B12R1.125 CC1=C(C=CC=C1)NCC(=O)O R871230 [0,2,0,0,0,0|2,0,0]=4 321 B12R1.125 CC1=CC=CC=C1OCC(=O)N R715522 [0,2,0,0,0,0|2,0,0]=4 322 B12R1.125 CC1=CC=CC=C1SCC(=O)O R363820 [0,2,0,0,0,0|2,0,0]=4 323 B12R1.125 CC1=CC=CC=[N+]1CCC(=O)N S343285 [0,2,0,0,0,0|2,0,0]=4 324 B12R1.125 N=C(N)CCC1=C(C=CC=C1)Cl PH015728 [0,2,0,0,0,0|2,0,0]=4 325 B12R1.125 N=C(N)SCC1=C(C=CC=C1)Cl T282057 [0,2,0,0,0,0|1,1,0]=4 326 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [0,2,0,0,0,0|2,0,0]=4 327 B12R1.125 NC(=O)COC1=C(C=CC=C1)O CDS020826 [0,2,0,0,0,0|2,0,0]=4 328 B12R1.125 NC1=C(C=CC=C1)/C=C/C(=O)O PH011123 [0,2,0,0,0,0|1,0,1]=4 329 B12R1.125 O=C(Cl)COC1=C(C=CC=C1)Cl OTV000735 [0,2,0,0,0,0|2,0,0]=4 330 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl PH010874 [0,2,0,0,0,0|1,0,1]=4 331 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [0,2,0,0,0,0|1,0,0]=3 332 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl R871222 [0,2,0,0,0,0|2,0,0]=4 333 B12R1.125 O=C(O)CNC1=C(C=CC=C1)F L447560 [0,2,0,0,0,0|2,0,0]=4 334 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl CDS001276 [0,2,0,0,0,0|2,0,0]=4 335 B12R1.267 C/C=C/CSC1=CC=CC=C1C S746231 [0,2,0,0,0,0|2,0,0]=4 336 B12R1.267 O=CN/N=C/C1=CC=CC=C1O L496960 [0,2,0,0,0,0|1,0,1]=4 337 B12R1.1631 O=C/C=C/C1=C(C=CC=C1F)F CDS020168 [0,2,0,0,0,0|1,0,1]=4 338 B12R1.226 CC(=O)COC1=CC=CC(=C1)Br OTV000350 [0,2,0,0,0,0|2,0,0]=4 339 B12R1.226 CC(=O)NNC1=CC=CC(=C1)Cl PH007201 [0,2,0,0,0,0|2,0,0]=4 340 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [0,2,0,0,0,0|2,0,0]=4 341 B12R1.226 CC1=C[N+](=CC=C1)CCC(=O)N S343293 [0,2,0,0,0,0|2,0,0]=4 342 B12R1.226 N=C(N)SCC1=CC(=CC=C1)Cl S533416 [0,2,0,0,0,0|1,1,0]=4 343 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [0,2,0,0,0,0|1,0,0]=3 344 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [0,2,0,0,0,0|1,0,0]=3 345 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [0,2,0,0,0,0|2,0,0]=4 346 B12R1.8 C#CCCOCC1=CC=CC=C1 T269069 [0,2,0,0,0,0|1,0,1]=4 347 B12R1.8 ClCCCOCC1=CC=CC=C1 PH011743 [0,2,0,0,0,0|1,0,1]=4 348 B12R1.8 N#CCCOCC1=CC=CC=C1 ANV00259 [0,2,0,0,0,0|1,0,1]=4 349 B12R1.8 N#CCOCCC1=CC=CC=C1 S148911 [0,2,0,0,0,0|1,0,1]=4 350 B12R1.27 C=CC(C)CSC1=CC=CC=C1 T215546 [0,2,0,0,0,0|2,0,0]=4 351 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [0,2,0,0,0,0|1,0,1]=4 352 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [0,2,0,0,0,0|1,0,0]=3 353 B12R1.27 CCC(=O)NNC1=CC=CC=C1 S557188 [0,2,0,0,0,0|2,0,0]=4 354 B12R1.27 CCC(=O)O[Hg]C1=CC=CC=C1 S522473 [0,2,0,0,0,0|1,0,0]=3 355 B12R1.27 CNC(=O)OCC1=CN=CC=C1 PH009398 [0,2,0,0,0,0|1,0,0]=3 356 B12R1.27 CNC(=S)NCC1=CC=CC=C1 R278815 [0,2,0,0,0,0|1,1,0]=4 357 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [0,2,0,0,0,0|1,0,0]=3 358 B12R1.27 CSC(=S)OCC1=CC=CC=C1 S863475 [0,2,0,0,0,0|0,1,0]=3 359 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [0,2,0,0,0,0|0,0,0]=2 360 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [0,2,0,0,0,0|1,0,0]=3 361 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [0,2,0,0,0,0|2,0,0]=4 362 B12R1.27 NNC(=S)NCC1=CC=CC=C1 S539333 [0,2,0,0,0,0|1,1,0]=4 363 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CBR01981 [0,2,0,0,0,0|1,0,0]=3 364 B12R1.27 O=C(CBr)NCC1=NC=CC=C1 PH015342 [0,2,0,0,0,0|2,0,0]=4 365 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [0,2,0,0,0,0|1,0,0]=3 366 B12R1.32 C=CCC(O)CC1=CC=CC=C1 PH010446 [0,2,0,0,0,0|2,0,0]=4 367 B12R1.32 C=CCN(C)CC1=CC=CC=C1 S879746 [0,2,0,0,0,0|2,0,0]=4 368 B12R1.32 C=CCN(N)CC1=CC=CC=C1 PH001229 [0,2,0,0,0,0|2,0,0]=4 369 B12R1.32 O=CNC(=O)CC1=CC=CC=C1 S909793 [0,2,0,0,0,0|1,0,0]=3 370 B12R1.32 O=CNC(=O)NC1=CC=CC=C1 S856495 [0,2,0,0,0,0|1,0,1]=4 371 B12R1.252 CC(=CCOC1=CC=CC=C1)C S134643 [0,2,0,0,0,0|2,0,0]=4 372 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 S364789 [0,2,0,0,0,0|2,0,0]=4 373 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [0,2,0,0,0,0|1,0,0]=3 374 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [0,2,0,0,0,0|0,1,0]=3 375 B12R1.252 CC(=O)N/N=C/C1=CC=CC=C1 S872245 [0,2,0,0,0,0|1,0,1]=4 376 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [0,2,0,0,0,0|1,0,0]=3 377 B12R1.252 CC(=O)OCCC1=NC=CC=C1 PH006794 [0,2,0,0,0,0|1,0,0]=3 378 B12R1.252 CC(=O)O[Hg]CC1=CC=CC=C1 S881120 [0,2,0,0,0,0|0,0,0]=2 379 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [0,2,0,0,0,0|0,0,2]=4 380 B12R1.252 N=C(N)NCCC1=CC=CC=C1 S370282 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [0,2,0,0,0,0|1,0,0]=3 382 B12R1.252 NC(=O)CSCC1=CC=CC=C1 S614386 [0,2,0,0,0,0|0,1,0]=3 383 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [0,2,0,0,0,0|1,0,0]=3 384 B12R1.252 NC(=S)NCCC1=CC=CC=C1 PH011268 [0,2,0,0,0,0|1,1,0]=4 385 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 PH000271 [0,2,0,0,0,0|1,0,0]=3 386 B12R1.252 O=C(O)CCNC1=CC=CC=C1 R155780 [0,2,0,0,0,0|1,0,0]=3 387 B12R1.252 O=C(O)CCSC1=CC=CC=C1 L305855 [0,2,0,0,0,0|1,0,0]=3 388 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 S949442 [0,2,0,0,0,0|1,0,0]=3 389 B12R1.252 O=C(O)CNCC1=NC=CC=C1 PH014769 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.43 CC(=O)N(C)NC1=CC=CC=C1 S548928 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [0,2,0,0,0,0|1,0,0]=3 392 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [0,2,0,0,0,0|1,0,0]=3 393 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [0,2,0,0,0,0|1,0,0]=3 394 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N PH015234 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.43 CN(CC1=CC=CC=C1)C(=O)Cl PH008817 [0,2,0,0,0,0|1,0,0]=3 397 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N CBR01175 [0,2,0,0,0,0|1,1,0]=4 398 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O CDS020095 [0,2,0,0,0,0|2,0,0]=4 399 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CDS020090 [0,2,0,0,0,0|2,0,0]=4 400 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [0,2,0,0,0,0|1,0,0]=3 401 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Br S808768 [0,2,0,0,0,0|1,0,1]=4 402 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl PH009328 [0,2,0,0,0,0|1,0,1]=4 403 B12R1.43 O=C(O)/C(=C\C1=CC=CC=C1)/Cl PH004529 [0,2,0,0,0,0|1,0,1]=4 404 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [0,2,0,0,0,0|1,0,0]=3 405 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 CDS008837 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [0,2,0,0,0,0|1,0,0]=3 407 B12R1.891 CC(C)(C)OCC1=CC=CC=C1 S653853 [0,2,0,0,0,0|1,0,1]=4 408 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 L496227 [0,2,0,0,0,0|2,0,0]=4 409 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [1,0,0,1,0,0|1,1,0]=4 410 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [1,0,0,1,0,0|1,1,0]=4 411 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,1,0,0|2,0,0]=4 412 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [1,0,0,1,0,0|1,1,0]=4 413 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|0,0,0]=2 414 B12R2.24 NC1=CC2=C(C=C1)OCOC2 TMT00023 [0,1,0,1,0,0|0,0,2]=4 415 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [0,1,0,1,0,0|2,0,0]=4 416 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,1,0,1,0,0|2,0,0]=4 417 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,1,0,1,0,0|2,0,0]=4 418 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,1,0,1,0,0|1,1,0]=4 419 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [0,1,0,1,0,0|1,1,0]=4 420 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 CBR02176 [0,1,0,1,0,0|1,0,0]=3 421 B12R2.132 NC1=CC2=C(C=C1)COC2=O S745197 [0,1,0,1,0,0|0,0,0]=2 422 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 CDS003996 [0,1,0,1,0,0|1,0,0]=3 423 B12R2.132 O=C1NSC2=CC=C(C=C12)Cl CDS020499 [0,1,0,1,0,0|2,0,0]=4 424 B12R2.2 C1=CC=C(C=C1)C2=CC=NO2 JRD0097 [0,1,0,1,0,0|1,0,1]=4 425 B12R2.2 C1=CC=C(C=C1)C2=CN=CO2 CDS018116 [0,1,0,1,0,0|1,0,1]=4 426 B12R2.2 C1=CC=C(C=C1)C2=NOC=C2 JRD0165 [0,1,0,1,0,0|1,0,1]=4 427 B12R2.2 C1=CC=C(C=C1)C2OCCS2 S653845 [0,1,0,1,0,0|0,1,1]=4 428 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [0,1,0,1,0,0|2,0,0]=4 429 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [0,1,0,1,0,0|1,0,1]=4 430 B12R2.1081 O=C1CCCC2=C1C=CC=N2 PH009807 [0,1,0,1,0,0|2,0,0]=4 431 B12R2.1081 O=C1CCCC2=CC=NC=C12 CDS009119 [0,1,0,1,0,0|2,0,0]=4 432 B12R2.1081 O=C1CCNC2=CC=CC=C12 CDS014814 [0,1,0,1,0,0|1,0,0]=3 433 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [0,1,0,1,0,0|0,0,0]=2 434 B12R2.1081 O=C1NOCC2=C1C=CC=C2 PH009154 [0,1,0,1,0,0|0,0,0]=2 435 B12R2.1081 O=C1ON=CC2=C1C=CC=C2 PH008604 [0,1,0,1,0,0|0,0,1]=3 436 B12R2.1081 O=S1CCNC2=CC=CC=C12 T324086 [0,1,0,1,0,0|2,0,0]=4 437 B12R2.1081 OC1=CC=CC2=C1C=CCC2 PH008627 [0,1,0,1,0,0|2,0,0]=4 438 B12R2.1081 [PbH2]1SOC(=O)C2=C1C=CC=C2 S839485 [0,1,0,1,0,0|1,0,0]=3 439 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [0,1,0,1,0,0|0,0,0]=2 440 B12R2.2028 O=C1NS(=O)C2=C1C=CC=C2 PH009216 [0,1,0,1,0,0|2,0,0]=4 441 B12R2.2028 O=C1SC(=O)C2=C1C=CC=C2 PH009710 [0,1,0,1,0,0|0,1,1]=4 442 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 R426687 [0,1,0,1,0,0|1,0,1]=4 443 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 PH006841 [0,1,0,1,0,0|2,0,0]=4 444 B12R2.196 O=C1CCC2=C(C=CC=C12)Cl JRD0942 [0,1,0,1,0,0|1,0,0]=3 445 B12R2.203 O=C1CCC2=C1C(=CC=C2)S T285455 [0,1,0,1,0,0|1,0,0]=3 446 B12R2.203 O=C1OCC2=C1C(=CC=C2)F S17389 [0,1,0,1,0,0|0,0,0]=2 447 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 CDS002180 [0,1,0,1,0,0|0,0,0]=2 448 B12R2.612 O=C1CCC2=C1C=CC(=C2)S T285463 [0,1,0,1,0,0|1,0,0]=3 449 B12R2.612 O=C1NCC2=CC(=CC=C12)Br CDS009180 [0,1,0,1,0,0|1,0,0]=3 450 B12R2.18 CN1CC2=C(C1=O)C=CC=C2 S701564 [0,1,0,1,0,0|1,0,0]=3 451 B12R2.2403 O=S1(=O)OCC2=C1C=CC=C2 S438103 [0,1,0,1,0,0|1,0,0]=3