0 B11R1.1 BrCCOC1=CC=C(C=C1)Br S463000 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.1 CC1=CC=C(C=C1)CCNN PH018986 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.1 CC1=CC=C(C=C1)OCCBr PH000131 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.1 CC1=CC=C(C=C1)OCCN OTV000145 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.1 CC1=CC=C(C=C1)SCCO S550264 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.1 CCCSC1=CC=C(C=C1)C S832839 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.1 CCCSC1=CC=C(C=C1)N CBR01435 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.1 CSCSC1=CC=C(C=C1)C S592749 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.1 ClCCSC1=CC=C(C=C1)Cl S614041 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.1 N#CCCC1=CC=C(C=C1)O PH011727 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.1 N#CCNC1=CC=C(C=C1)O S136581 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.1 N#CCNC1=CC=C(C=C1)O S245933 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.1 N#CCNC1=CC=C(C=C1)O S281433 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.1 N#CSCC1=CC=C(C=C1)Br L308307 [0,0,0,0,0,0|2,1,1]=4 17 B11R1.1 NC1=CC=C(C=C1)NCCO TMT00030 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.1 NCCCC1=CC=C(C=C1)F CDS009095 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.1 NCCOC1=CC=C(C=C1)F CBR00598 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.1 NCCSC1=CC=C(C=C1)Cl L308153 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.1 NNCCC1=CC=C(C=C1)F PH019072 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.1 OCCOC1=CC=C(C=C1)Cl S359610 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.1 OCCSC1=CC=C(C=C1)Cl L308781 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.1 [C-]#[N+]CCC1=CC=C(C=C1)F PH015031 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [1,0,0,0,0,0|1,0,2]=4 31 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,0,0,0,0,0|1,0,0]=2 34 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [1,0,0,0,0,0|1,0,0]=2 37 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.1 CCOC1=NC=C(C=C1)N PH010489 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.1 CCOC1=NC=C(C=N1)Br SYX00297 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.1 CCOC1=NN=C(C=C1)Cl T160105 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [1,0,0,0,0,0|1,1,0]=3 42 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [1,0,0,0,0,0|1,1,0]=3 43 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.1 CNCC1=CC=C(N=C1)Cl CBR01530 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,0,0,0,0,0|0,0,0]=1 46 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,0,0,0,0,0|1,1,0]=3 47 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,0,0,0,0,0|1,1,0]=3 48 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.17 CNCCC1=NC=CC=C1 R750492 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.17 COCCC1=CC=NC=C1 PH007374 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [1,0,0,0,0,0|1,1,0]=3 67 B12R1.1 BrCCCOC1=CC=C(C=C1)Br PH000245 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.1 C/C=C/CNC1=CC=C(C=C1)C S344818 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.1 CC1=CC=C(C=C1)CCCCO JRD0946 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.1 CC1=CC=C(C=C1)OCCCBr PH011050 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.1 CCC/C=C/C1=CC=C(C=C1)Cl PH008528 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.1 CCCCOC1=CC=C(C=C1)Br PH014759 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.1 CCCCOC1=CC=C(C=N1)N S357502 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.1 CCCCSC1=CC=C(C=C1)C S799149 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.1 CCCNCC1=CC=C(C=C1)Cl PH010169 [0,1,0,0,0,0|2,0,0]=3 76 B12R1.1 CNCCOC1=CC=C(C=C1)C PH012059 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.1 ClCCCSC1=CC=C(C=C1)Br S799203 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.1 ClCCCSC1=CC=C(C=C1)Cl S803723 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.1 ClCCNCC1=CC=C(C=C1)Cl S377902 [0,1,0,0,0,0|2,0,0]=3 80 B12R1.1 ClCCSCC1=CC=C(C=C1)Cl S637939 [0,1,0,0,0,0|1,1,0]=3 81 B12R1.1 ClCNCNC1=CC=C(C=C1)I R433829 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.1 FC1=CC=C(C=C1)OCCCBr PH011047 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.1 NCCCOC1=CC=C(C=C1)Cl PH011995 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.1 O=CNCCC1=CC=C(C=C1)O PH010511 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.1 OCC/N=C/C1=CC=C(C=C1)Cl S753289 [0,1,0,0,0,0|2,0,1]=4 86 B12R1.1 OCC/N=C/C1=CC=C(C=C1)O S691011 [0,1,0,0,0,0|1,0,1]=3 87 B12R1.1 OCCCCC1=CC=C(C=C1)Br JRD0948 [0,1,0,0,0,0|2,0,0]=3 88 B12R1.1 OCCCCC1=CC=C(C=C1)Cl JRD0947 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.1 OCCCCC1=CC=C(C=C1)F JRD0949 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.1 OCCCOC1=CC=C(C=C1)F PH016159 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.1 OCCNCC1=CC=C(C=C1)Cl S378291 [0,1,0,0,0,0|2,0,0]=3 92 B12R1.1 OCCSCC1=CC=C(C=C1)Cl S614092 [0,1,0,0,0,0|1,1,0]=3 93 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Br S432814 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.16 CCCC(=O)C1=CC=C(C=C1)C S352705 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl S446874 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F S415456 [0,1,0,0,0,0|2,0,1]=4 97 B12R1.16 CCCC(=O)C1=CC=C(C=C1)N R762342 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O S439789 [0,1,0,0,0,0|1,0,1]=3 99 B12R1.16 CCCC(O)C1=CC=C(C=C1)Br S431877 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.16 CCCC(O)C1=CC=C(C=C1)C S446955 [0,1,0,0,0,0|2,0,0]=3 101 B12R1.16 CCCC(O)C1=CC=C(C=C1)Cl S418080 [0,1,0,0,0,0|2,0,0]=3 102 B12R1.16 CCCC(O)C1=CC=C(C=C1)F S447226 [0,1,0,0,0,0|2,0,0]=3 103 B12R1.16 CCNC(=O)C1=CC=C(C=C1)I EME00290 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N CBR02271 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl S705764 [0,1,0,0,0,0|1,0,1]=3 106 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N R284645 [0,1,0,0,0,0|1,0,1]=3 107 B12R1.16 CCOC(=O)C1=CC=C(C=N1)N CDS021056 [0,1,0,0,0,0|2,0,1]=4 108 B12R1.16 CCOC(=O)C1=CC=[N+](C=C1)C R179094 [0,1,0,0,0,0|2,0,1]=4 109 B12R1.16 CNCC(O)C1=CC=C(C=C1)O S433233 [0,1,0,0,0,0|2,0,0]=3 110 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [0,1,0,0,0,0|1,0,1]=3 111 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [0,1,0,0,0,0|1,0,2]=4 112 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [0,1,0,0,0,0|2,0,1]=4 113 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [0,1,0,0,0,0|1,0,1]=3 114 B12R1.21 CC(C)/N=C/C1=CC=C(C=C1)Cl PH008253 [0,1,0,0,0,0|2,0,1]=4 115 B12R1.21 CC(C)CCC1=CC=C(C=C1)O S511803 [0,1,0,0,0,0|1,0,0]=2 116 B12R1.21 CC(C)COC1=CC=C(C=C1)N CDS008265 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.21 CC(C)NCC1=CC=C(C=C1)Cl PH011090 [0,1,0,0,0,0|2,0,0]=3 118 B12R1.21 CC1=CC=C(C=C1)OCC(C)O PH015463 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S452254 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [0,1,0,0,0,0|2,0,1]=4 121 B12R1.49 CC1=CC=C(C=C1)CC(O)CCl S838438 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Br S695114 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.49 CCC(=O)NC1=CC=C(C=C1)C S825255 [0,1,0,0,0,0|3,0,0]=4 124 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Cl S790958 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.49 CCC(=O)NC1=CC=C(C=C1)F S397512 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.49 CCC(=O)NC1=CC=C(C=C1)I S916560 [0,1,0,0,0,0|3,0,0]=4 127 B12R1.49 CCC(=O)NC1=CC=C(C=C1)N R703206 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.49 CCC(=S)NC1=CC=C(C=C1)Cl S390224 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [0,1,0,0,0,0|2,0,0]=3 130 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PH005153 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl S734578 [0,1,0,0,0,0|3,0,0]=4 132 B12R1.49 COC(=O)CC1=CC=C(C=C1)N CDS002964 [0,1,0,0,0,0|3,0,0]=4 133 B12R1.49 NC(CC1=CC=C(C=C1)O)N=O PH016710 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)O T304573 [0,1,0,0,0,0|3,0,0]=4 135 B12R1.69 OCCCC1=C(C=C(C=C1)Cl)Cl PH017193 [0,1,0,0,0,0|3,0,0]=4 136 B12R1.71 CCCCC1=CC=C(C=C1)CN CDS001572 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.71 CCNCC1=CC=C(C=C1)OC PH009847 [0,1,0,0,0,0|1,0,0]=2 138 B12R1.71 COC1=CC=C(C=C1)OCCBr PH009793 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.71 COC1=CC=C(C=C1)OCCO S538531 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.71 [C-]#[N+]CCC1=CC=C(C=C1)OC PH015493 [0,1,0,0,0,0|2,0,1]=4 141 B12R1.385 CCCCC1=CC(=C(C=C1)N)C CDS010548 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.385 CCCOC1=CC=C(C(=C1)C)N CDS012022 [0,1,0,0,0,0|3,0,0]=4 143 B12R1.385 CCNCC1=CC(=C(C=C1)Cl)Cl PH010574 [0,1,0,0,0,0|2,0,0]=3 144 B10R0.74 C(=O)/C(=C/C=C/CCCC)/C S881708 [0,0,1,0,0,0|3,0,0]=4 145 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 T263664 [0,0,0,1,0,0|2,0,0]=3 146 B12R2.24 BrC1=CC=C2CCNCC2=C1 CDS020020 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.24 BrC1=CC=C2CNCCC2=C1 CDS010128 [0,0,0,1,0,0|2,0,0]=3 148 B12R2.24 CC1=CC2=C(CCCC2)N=C1 R279013 [0,0,0,1,0,0|3,0,0]=4 149 B12R2.24 CC1=CC=C2CCNCC2=C1 MNO000106 [0,0,0,1,0,0|3,0,0]=4 150 B12R2.24 ClC1=CC=C2CNCCC2=C1 CDS020263 [0,0,0,1,0,0|2,0,0]=3 151 B12R2.24 OC1=CC=C2CCCNC2=C1 CDS019987 [0,0,0,1,0,0|2,0,0]=3 152 B12R2.24 OC1=CC=C2OCCOC2=C1 CBR01871 [0,0,0,1,0,0|3,0,0]=4 153 B12R2.24 OC1=CN=C2OCCCC2=C1 ADE001447 [0,0,0,1,0,0|3,0,0]=4 154 B12R2.132 NC1=CC2=C(C=C1)COC2=O S745197 [0,0,0,1,0,0|2,0,1]=4 155 B12R2.132 NC1CCC2=CC=C(C=C12)Cl CDS009346 [0,0,0,1,0,0|3,0,0]=4 156 B12R2.2302 FC1=CC=C(C=C1)C2CNC2 CDS020373 [0,0,0,1,0,0|3,0,0]=4 157 B9R1.1 CC1=CC=C(C=C1)CS S369497 [2,0,0,0,0,0|1,1,0]=4 158 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [2,0,0,0,0,0|1,0,1]=4 159 B9R1.1 CCC1=CN=C(N=C1)O CBR01415 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [2,0,0,0,0,0|1,0,1]=4 162 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [2,0,0,0,0,0|1,1,0]=4 167 B9R1.1 CSC1=CC=C(C=C1)N S418595 [2,0,0,0,0,0|1,1,0]=4 168 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.1 NCC1=CC=C(C=C1)F R750263 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.8 CCCC1=CC=NC=C1 S573086 [2,0,0,0,0,0|1,0,0]=3 173 B9R1.8 CCOC1=CC=CC=N1 S442267 [2,0,0,0,0,0|1,0,0]=3 174 B9R1.8 CNNC1=CC=CC=C1 PH012261 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.8 COCC1=CC=CC=N1 S363146 [2,0,0,0,0,0|1,0,0]=3 176 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [2,0,0,0,0,0|2,0,0]=4 186 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [1,1,0,0,0,0|0,0,1]=3 187 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [1,1,0,0,0,0|0,0,1]=3 189 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [1,1,0,0,0,0|1,0,0]=3 190 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [1,1,0,0,0,0|1,0,0]=3 191 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [1,1,0,0,0,0|1,0,0]=3 192 B11R1.20 CC(C)SC1=CC=C(C=C1)Cl PH000601 [1,1,0,0,0,0|1,1,0]=4 193 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.22 BrCC(Br)C1=CC=C(C=C1)Br S568422 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [1,1,0,0,0,0|1,0,1]=4 196 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [1,1,0,0,0,0|1,0,0]=3 197 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [1,1,0,0,0,0|1,0,0]=3 198 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [1,1,0,0,0,0|1,0,0]=3 199 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [1,1,0,0,0,0|0,0,0]=2 200 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [1,1,0,0,0,0|1,0,0]=3 204 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [1,1,0,0,0,0|1,0,0]=3 205 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.22 COC(=O)C1=CC=C(C=N1)O CDS005288 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [1,1,0,0,0,0|1,0,1]=4 208 B11R1.22 NC(CF)C1=CC=C(C=C1)F CVT00026 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [1,1,0,0,0,0|1,0,1]=4 211 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.81 CCOC1=C(C=C(C=C1)N)Cl CBR01472 [1,1,0,0,0,0|1,0,0]=3 213 B11R1.81 CCOC1=CC=C(C=C1N)N S454931 [1,1,0,0,0,0|1,0,0]=3 214 B11R1.81 CCOC1=NC=C(C=C1Br)N CDS023885 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.81 CCOC1=NC=C(C=C1I)Br ADE000300 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.81 NCCC1=CC=C(C=C1F)Cl CDS022235 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.81 NCCC1=CC=C(C=C1F)F L300241 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.83 C#CC1=CC=C(C=C1)CCC CDS004646 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.83 CCC1=CC=C(C=C1)CNC CDS016027 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.83 CCNC1=CC=C(C=C1)OC PH010476 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.83 CCOC1=CC=C(C=C1)CN CDS003326 [1,1,0,0,0,0|1,0,0]=3 222 B11R1.83 CCOC1=CN=C(C=C1)CCl CDS024452 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [1,1,0,0,0,0|1,0,0]=3 224 B11R1.83 COC1=CC=C(C=C1)CON CDS015332 [1,1,0,0,0,0|1,0,0]=3 225 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [1,1,0,0,0,0|0,1,0]=3 226 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [1,1,0,0,0,0|0,0,0]=2 227 B11R1.83 N#CC1=CC=C(C=C1)CCBr CDS023693 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.83 N#CC1=CC=C(C=C1)CCO CDS014190 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.83 [C-]#[N+]CC1=CC=C(C=C1)OC PH014520 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.192 CC1=CC=C(C=C1C)CCN CDS003135 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.192 CC1=CC=C(C=C1C)CON PH013762 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.192 CCCC1=CC=C(C(=C1)N)O R703311 [1,1,0,0,0,0|0,0,0]=2 233 B11R1.192 CCC[N+]1=CC=C(C(=C1)C)C S635464 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.192 CCOC1=CC=C(C(=C1)N)Cl PH004977 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.192 CCOC1=CC=C(C(=C1)N)N CDS007491 [1,1,0,0,0,0|1,0,0]=3 236 B11R1.192 CNCC1=CC(=C(C=C1)Cl)Cl PH010199 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.192 N#CCC1=CC(=C(C=C1)O)O PH005053 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.192 OCCC1=CC(=C(C=C1)F)Cl CDS022215 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.192 OCCC1=CC=C(C(=C1)Br)O S739227 [1,1,0,0,0,0|1,0,0]=3 240 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [1,1,0,0,0,0|1,0,0]=3 241 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [1,1,0,0,0,0|1,0,0]=3 242 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [1,1,0,0,0,0|1,0,1]=4 244 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [1,1,0,0,0,0|1,0,1]=4 249 B11R1.17 CCCCC1=C(C=CC=C1)N CDS000462 [1,1,0,0,0,0|1,0,0]=3 250 B11R1.17 CCCOC1=CC=CC=C1N CDS014846 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.17 CCCSC1=CC=CC=C1N PH000487 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.17 COCCC1=CC=CC=C1Br S809608 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.17 NCCCC1=C(C=CC=C1)F CBR02360 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.24 CC1=CC(=CC=C1)CCCN CBR00042 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.24 CCCOC1=CC=CC(=C1)N CDS001846 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.24 ClC1=CC(=CC=C1)CCCBr PH011322 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.24 OCCCC1=CC=CC(=C1)Cl PH002730 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.28 C#CCCCC1=CC=CC=C1 CDS001437 [1,1,0,0,0,0|1,0,1]=4 259 B11R1.28 C#CCOCC1=CC=CC=C1 T268720 [1,1,0,0,0,0|0,0,1]=3 260 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [1,1,0,0,0,0|1,0,1]=4 261 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [1,1,0,0,0,0|1,0,1]=4 262 B11R1.28 C=CCNCC1=CC=CC=C1 ANV00005 [1,1,0,0,0,0|1,0,1]=4 263 B11R1.28 C=CCNCC1=CC=CC=C1 CBR01347 [1,1,0,0,0,0|1,0,1]=4 264 B11R1.28 CC#CCOC1=CC=CC=C1 PH009632 [1,1,0,0,0,0|1,0,1]=4 265 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [1,1,0,0,0,0|1,0,1]=4 266 B11R1.28 CCCCOC1=NC=CC=C1 S434299 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [1,1,0,0,0,0|1,0,1]=4 268 B11R1.28 CCNCCC1=CC=CC=N1 S361453 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.28 CCNCCC1=CC=NC=C1 OTV000969 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [1,1,0,0,0,0|0,0,1]=3 271 B11R1.28 CCOCCC1=CC=CC=N1 S361402 [1,1,0,0,0,0|1,0,0]=3 272 B11R1.28 CCOCCC1=CC=NC=C1 S368741 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.28 COCCOC1=CC=CC=C1 S793000 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.28 ClCCCSC1=CC=CC=C1 S799211 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.28 N#CCOCC1=CC=CC=C1 S240400 [1,1,0,0,0,0|0,0,1]=3 280 B11R1.28 NCCCNC1=CC=CC=C1 CDS021448 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.28 NCCCOC1=CC=CC=C1 PH010546 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.28 NCCCOC1=CC=CC=C1 VBP00077 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.28 OCC/N=C/C1=CC=CC=C1 PH007114 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.28 OCCCSC1=CC=CC=C1 S799238 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.28 OCCNCC1=NC=CC=C1 PH014542 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [1,1,0,0,0,0|1,0,0]=3 289 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [1,1,0,0,0,0|1,0,1]=4 292 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.91 CC(C)N=CC1=CC=CC=C1 S376825 [1,1,0,0,0,0|1,0,1]=4 294 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [1,1,0,0,0,0|1,0,0]=3 295 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.91 CC(C)NCC1=CC=CN=C1 CBR00082 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [1,1,0,0,0,0|0,0,0]=2 298 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [1,1,0,0,0,0|1,0,0]=3 299 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [1,1,0,0,0,0|2,0,0]=4 302 B13R1.9 CC1=CC=C(C=C1)OCCCCCl S363715 [0,2,0,0,0,0|2,0,0]=4 303 B13R1.9 CCCCCCC1=CC=C(C=C1)O CDS000247 [0,2,0,0,0,0|1,0,0]=3 304 B13R1.9 CCCCCOC1=CC=C(C=C1)O PH011487 [0,2,0,0,0,0|1,0,0]=3 305 B13R1.9 CCNCCOC1=CC=C(C=C1)Cl PH012070 [0,2,0,0,0,0|2,0,0]=4 306 B13R1.9 CNCCCOC1=CC=C(C=C1)Cl CBR00262 [0,2,0,0,0,0|2,0,0]=4 307 B13R1.9 COCCCNC1=CC=C(C=C1)N S883050 [0,2,0,0,0,0|2,0,0]=4 308 B13R1.9 ClCCCCSC1=CC=C(C=C1)Cl PH010751 [0,2,0,0,0,0|2,0,0]=4 309 B13R1.9 FC1=CC=C(C=C1)OCCCCBr PH011048 [0,2,0,0,0,0|2,0,0]=4 310 B13R1.14 CNC(=O)OCC1=CC=C(C=C1)Cl PH009074 [0,2,0,0,0,0|1,0,1]=4 311 B13R1.14 CNC(C)COC1=CC=C(C=C1)O S397989 [0,2,0,0,0,0|2,0,0]=4 312 B13R1.14 O=C(CCl)OCC1=CC=C(C=C1)Cl S34968 [0,2,0,0,0,0|1,0,1]=4 313 B13R1.17 CC1=CC=C(C=C1)C(C)CCCO T195189 [0,2,0,0,0,0|2,0,0]=4 314 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)C S409480 [0,2,0,0,0,0|2,0,0]=4 315 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)Cl S344656 [0,2,0,0,0,0|2,0,0]=4 316 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)F S349917 [0,2,0,0,0,0|2,0,0]=4 317 B13R1.17 O=C(CCCCl)C1=CC=C(C=C1)O R751758 [0,2,0,0,0,0|1,0,1]=4 318 B13R1.17 O=C(OCCO)C1=CC=C(C=C1)O CDS000361 [0,2,0,0,0,0|0,0,1]=3 319 B13R1.19 CCCC(=O)CC1=CC=C(C=C1)Cl ASX00033 [0,2,0,0,0,0|2,0,0]=4 320 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)Cl S668745 [0,2,0,0,0,0|1,0,0]=3 321 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)N PH009742 [0,2,0,0,0,0|1,0,0]=3 322 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)O PH011119 [0,2,0,0,0,0|0,0,0]=2 323 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)Br S666599 [0,2,0,0,0,0|1,0,1]=4 324 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)C S643963 [0,2,0,0,0,0|1,0,1]=4 325 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)Cl S361577 [0,2,0,0,0,0|1,0,1]=4 326 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)N CBR00185 [0,2,0,0,0,0|1,0,1]=4 327 B13R1.19 CCOC(=O)OC1=CC=C(C=C1)Cl PH008708 [0,2,0,0,0,0|1,0,1]=4 328 B13R1.369 CCCCCC1=CC=C(C=C1C)C PH007960 [0,2,0,0,0,0|2,0,0]=4 329 B13R1.369 CCCCCC1=CC=C(C=C1O)C CDS014161 [0,2,0,0,0,0|2,0,0]=4 330 B13R1.371 C#CCOCC1=CC=C(C=C1)C#N CDS023317 [0,2,0,0,0,0|1,0,1]=4 331 B13R1.371 C=CCNCC1=CC=C(C=C1)OC T286176 [0,2,0,0,0,0|1,0,1]=4 332 B13R1.371 CCCCCC1=CC=C(C=C1)C=O PH015542 [0,2,0,0,0,0|1,0,1]=4 333 B13R1.371 COC1=CC=C(C=C1)CCCCBr PH007962 [0,2,0,0,0,0|1,0,0]=3 334 B13R1.371 COC1=CC=C(C=C1)CSCCN L163090 [0,2,0,0,0,0|0,1,0]=3 335 B13R1.371 COC1=CC=C(C=C1)OCCCBr PH010203 [0,2,0,0,0,0|2,0,0]=4 336 B13R1.371 COC1=CC=C(C=C1)OCCSC S697958 [0,2,0,0,0,0|2,0,0]=4 337 B13R1.513 CC1=CC=C(C=C1)SCCC(C)C S832855 [0,2,0,0,0,0|2,0,0]=4 338 B13R1.513 CN(C)CCCC1=CC=C(C=C1)N CDS004275 [0,2,0,0,0,0|2,0,0]=4 339 B13R1.669 CCCCOC1=CC=C(C(=C1)C)N CDS012609 [0,2,0,0,0,0|2,0,0]=4 340 B13R1.132 CC(O)CC(=O)C1=CC=C(C=C1)O S563862 [0,2,0,0,0,0|1,0,1]=4 341 B13R1.452 CCCC(=O)C1=CC=C(C=C1)OC S535753 [0,2,0,0,0,0|1,0,1]=4 342 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CBr CDS001471 [0,2,0,0,0,0|1,0,1]=4 343 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CN CDS011342 [0,2,0,0,0,0|1,0,1]=4 344 B13R1.452 CNCC(O)C1=CC=C(C=C1)OC PH015261 [0,2,0,0,0,0|2,0,0]=4 345 B13R1.452 COC1=CC=C(C=C1)C(N)CCO BBO000755 [0,2,0,0,0,0|2,0,0]=4 346 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)C)N T303518 [0,2,0,0,0,0|1,0,1]=4 347 B13R1.466 CCOC(=O)C1=CC=C(C(=C1)C)C S434248 [0,2,0,0,0,0|1,0,1]=4 348 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)C)C PH011191 [0,2,0,0,0,0|1,0,1]=4 349 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)Cl)N PH000524 [0,2,0,0,0,0|1,0,1]=4 350 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)N)Cl PH000496 [0,2,0,0,0,0|1,0,1]=4 351 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)O)O S947784 [0,2,0,0,0,0|0,0,1]=3 352 B13R1.3 CC(=O)OCC1=CC=C(C=C1)C#N BOG00136 [0,2,0,0,0,0|1,0,1]=4 353 B13R1.3 COC1=CC=C(C=C1)CCC(C)N PH009720 [0,2,0,0,0,0|1,0,0]=3 354 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)O CDS020902 [0,2,0,0,0,0|2,0,0]=4 355 B13R1.511 CC(=O)OCC1=CC(=O)C(=CO1)O PH008620 [0,2,0,0,0,0|1,0,1]=4 356 B13R1.511 CN(C)CCC1=CC=C(C(=C1)O)O PH013462 [0,2,0,0,0,0|2,0,0]=4 357 B13R1.512 CC(C)(O)CCC1=CC=C(C=C1)O S350885 [0,2,0,0,0,0|1,0,0]=3 358 B13R1.5 CCC(=O)NC1=CC=C(C=C1)OC R131504 [0,2,0,0,0,0|2,0,0]=4 359 B13R1.5 COC1=CC=C(C=C1)CC(N)CO PH004943 [0,2,0,0,0,0|2,0,0]=4 360 B13R1.145 CCN(CC)CC1=CC=C(C=C1)N BBO000509 [0,2,0,0,0,0|2,0,0]=4 361 B13R1.2879 CCC(N)CC1=CC(=C(C=C1)C)O T340685 [0,2,0,0,0,0|2,0,0]=4 362 B13R1.2879 COC(=O)CC1=CC(=C(C=C1)O)Cl PH003559 [0,2,0,0,0,0|2,0,0]=4 363 B13R1.74 CCCCC1=CC=C(C=C1)C(=S)N BOG00083 [0,2,0,0,0,0|1,1,0]=4 364 B13R1.74 CCCCC1=NC=C(C=C1)C(=O)O PH018553 [0,2,0,0,0,0|2,0,0]=4 365 B13R1.74 CCOCC1=CC=C(C=C1)C(=O)O S283428 [0,2,0,0,0,0|0,0,0]=2 366 B13R1.74 CNCCC1=CC=C(C=C1)C(=O)O PH013543 [0,2,0,0,0,0|2,0,0]=4 367 B13R1.74 OCCCC1=CC=C(C=C1)B(O)O CDS009589 [0,2,0,0,0,0|2,0,0]=4 368 B13R1.575 CCCCC1=CC(=C(C=C1)O)C=O ASX00136 [0,2,0,0,0,0|1,0,0]=3 369 B13R1.575 CCCOC1=CC(=C(C=C1)O)C=O ASX00137 [0,2,0,0,0,0|2,0,0]=4 370 B11R2.36 BrC1=CC=C2CNCC2=C1 CDS019338 [1,0,0,1,0,0|2,0,0]=4 371 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [1,0,0,1,0,0|2,0,0]=4 372 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [1,0,0,1,0,0|2,0,0]=4 373 B11R2.36 ClC1=NC2=C(C=C1)CCC2 CBR01977 [1,0,0,1,0,0|2,0,0]=4 374 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [1,0,0,1,0,0|2,0,0]=4 375 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [1,0,0,1,0,0|2,0,0]=4 376 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [1,0,0,1,0,0|2,0,0]=4 377 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [1,0,0,1,0,0|1,0,0]=3 378 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [1,0,0,1,0,0|1,0,0]=3 379 B11R2.36 IC1=CC=C2OCOC2=C1 CDS003005 [1,0,0,1,0,0|2,0,0]=4 380 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [1,0,0,1,0,0|1,0,0]=3 381 B11R2.36 NC1=CC=C2NCCC2=C1 CDS019734 [1,0,0,1,0,0|2,0,0]=4 382 B11R2.36 O=C1C=CC2=C(N1)CCC2 T327182 [1,0,0,1,0,0|1,0,1]=4 383 B11R2.36 OC1=CC2=NON=C2C=C1 CDS016098 [1,0,0,1,0,0|2,0,0]=4 384 B11R2.117 CC1=CC=C2CC(C2=N1)C T174130 [1,0,0,1,0,0|2,0,0]=4 385 B11R2.742 O=C1C=CC2(C=C1)CCO2 T273562 [1,0,0,1,0,0|0,0,2]=4 386 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [1,0,0,1,0,0|1,0,0]=3 387 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [1,0,0,1,0,0|1,0,0]=3 388 B13R2.12 CC1=CC=C(C=C1)C2NCCS2 T149357 [0,1,0,1,0,0|1,1,0]=4 389 B13R2.12 ClC1=CC=C(C=C1)C2CCCN2 PH009946 [0,1,0,1,0,0|2,0,0]=4 390 B13R2.12 ClC1=CC=C(C=C1)C2NCCO2 PH009374 [0,1,0,1,0,0|1,0,0]=3 391 B13R2.12 ClC1=CC=C(C=C1)C2NCCS2 S248673 [0,1,0,1,0,0|1,1,0]=4 392 B13R2.12 ClC1=CC=C(C=C1)C2NCCS2 T149349 [0,1,0,1,0,0|1,1,0]=4 393 B13R2.12 ClC1=CC=C(C=C1)C2OCCS2 T149462 [0,1,0,1,0,0|1,0,0]=3 394 B13R2.12 FC1=CC=C(C=C1)C2CCNC2 CDS010241 [0,1,0,1,0,0|2,0,0]=4 395 B13R2.12 FC1=CC=C(C=C1)C2OCCO2 S432199 [0,1,0,1,0,0|1,0,0]=3 396 B13R2.12 NC1=CC=C(C=C1)C2=NCCO2 L497088 [0,1,0,1,0,0|1,0,1]=4 397 B13R2.12 NC1=CC=C(C=C1)N2CCCC2 CDS006772 [0,1,0,1,0,0|2,0,0]=4 398 B13R2.162 NC1CCCC2=CC=C(C=C12)O PH019049 [0,1,0,1,0,0|1,0,0]=3 399 B13R2.162 O=C1CCCC2=C1C=C(C=C2)O PH010225 [0,1,0,1,0,0|1,0,1]=4 400 B13R2.3729 FC1=CC2=C(C=C1)CNCCN2 CDS020985 [0,1,0,1,0,0|2,0,0]=4 401 B13R2.520 CC1=CC=C(C=C1)C(O)C2CC2 S431672 [0,1,0,1,0,0|2,0,0]=4 402 B13R2.520 OC(C1=CC=C(C=C1)Br)C2CC2 S406937 [0,1,0,1,0,0|2,0,0]=4 403 B13R2.520 OC(C1=CC=C(C=C1)Cl)C2CC2 S407135 [0,1,0,1,0,0|2,0,0]=4 404 B13R2.520 OC(C1=CC=C(C=C1)F)C2CC2 S449911 [0,1,0,1,0,0|2,0,0]=4 405 B13R2.2986 NC1(CCC1)C2=CC=C(C=C2)F OTV000628 [0,1,0,1,0,0|2,0,0]=4 406 B13R2.5179 CC1CCCC2=C1C=CC(=C2)O S956082 [0,1,0,1,0,0|1,0,0]=3 407 B13R2.5187 CC1CC(=O)C2=C1C=C(C=C2)O PH008300 [0,1,0,1,0,0|1,0,1]=4 408 B13R2.148 NC1(CC1)CC2=CC=C(C=C2)Cl CBR00921 [0,1,0,1,0,0|2,0,0]=4 409 B13R2.328 CC1=CC(=NC2=C1CCCC2)O PH009670 [0,1,0,1,0,0|2,0,0]=4 410 B13R2.57 COC1=CC2=C(C=C1)CNCC2 CDS005465 [0,1,0,1,0,0|1,0,0]=3 411 B13R2.57 COC1=CC=C2C=NCCC2=C1 PH002969 [0,1,0,1,0,0|1,0,1]=4 412 B13R2.57 COC1=CC=C2CNCCC2=C1 CDS002721 [0,1,0,1,0,0|1,0,0]=3 413 B13R2.669 COC1=CC2=C(C=C1)COC2=O S847151 [0,1,0,1,0,0|1,0,1]=4 414 B13R2.369 NC1=C(C=C2CCCCC2=C1)O R161217 [0,1,0,1,0,0|1,0,0]=3 415 B9R1.7 CCCC1=CC=C(O1)C L159743 [1,0,0,0,1,0|2,0,0]=4 416 B9R1.12 CCCCC1=CC=CO1 CDS001204 [1,0,0,0,1,0|2,0,0]=4 417 B9R1.12 CCCCC1=CC=CS1 CDS001487 [1,0,0,0,1,0|2,0,0]=4 418 B8R1.2 NCC1=CC=CC=C1 S696684 [3,0,0,0,0,0|1,0,0]=4 419 B10R1.3 CCC1=CC=C(C=C1)CN L480800 [2,1,0,0,0,0|1,0,0]=4 420 B10R1.3 CCC1=CN=C(C=C1)CO CBR01470 [2,1,0,0,0,0|1,0,0]=4 421 B10R1.3 COC1=CC=C(C=C1)[Hg]Cl S881198 [2,1,0,0,0,0|1,0,0]=4 422 B10R1.3 NCC1=CC=C(C=C1)CO CDS017680 [2,1,0,0,0,0|1,0,0]=4 423 B10R1.3 [C-]#[N+]C1=CC=C(C=C1)CC PH015675 [2,1,0,0,0,0|1,0,0]=4 424 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [2,1,0,0,0,0|1,0,0]=4 425 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [2,1,0,0,0,0|0,1,0]=4 426 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [2,1,0,0,0,0|1,0,0]=4 427 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [2,1,0,0,0,0|1,0,0]=4 428 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [2,1,0,0,0,0|1,0,0]=4 429 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [2,1,0,0,0,0|1,0,0]=4 430 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [2,1,0,0,0,0|1,0,0]=4 431 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [2,1,0,0,0,0|1,0,0]=4 432 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [2,1,0,0,0,0|0,0,0]=3 433 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [2,1,0,0,0,0|1,0,0]=4 434 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [2,1,0,0,0,0|0,0,0]=3 435 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [2,1,0,0,0,0|1,0,0]=4 436 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [2,1,0,0,0,0|1,0,0]=4 437 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [2,1,0,0,0,0|1,0,0]=4 438 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [2,1,0,0,0,0|1,0,0]=4 439 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [2,1,0,0,0,0|1,0,0]=4 440 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [2,1,0,0,0,0|0,1,0]=4 441 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [2,1,0,0,0,0|1,0,0]=4 442 B10R1.176 OCC1=CC(=C(C=N1)O)O CBR00377 [2,1,0,0,0,0|1,0,0]=4 443 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [2,1,0,0,0,0|1,0,0]=4 444 B10R1.176 OCC1=CC=C(C(=N1)Br)O ADE000154 [2,1,0,0,0,0|1,0,0]=4 445 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [2,1,0,0,0,0|1,0,0]=4 446 B10R1.4 CCNC1=CC=CC=C1C S571016 [2,1,0,0,0,0|1,0,0]=4 447 B10R1.4 CCOC1=CC=CC=C1F S362085 [2,1,0,0,0,0|0,0,0]=3 448 B10R1.4 CCOC1=NC=CC=C1I ADE000294 [2,1,0,0,0,0|1,0,0]=4 449 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [2,1,0,0,0,0|0,1,0]=4 450 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [2,1,0,0,0,0|1,0,0]=4 451 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [2,1,0,0,0,0|0,0,0]=3 452 B10R1.4 CSCC1=CC=CC=C1Br S663395 [2,1,0,0,0,0|0,1,0]=4 453 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [2,1,0,0,0,0|1,0,0]=4 454 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [2,1,0,0,0,0|0,0,0]=3 455 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [2,1,0,0,0,0|1,0,0]=4 456 B10R1.10 CCOC1=CC(=CC=N1)Br CDS009065 [2,1,0,0,0,0|1,0,0]=4 457 B10R1.10 CCOC1=NC(=CC=C1)Cl S446335 [2,1,0,0,0,0|1,0,0]=4 458 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [2,1,0,0,0,0|0,1,0]=4 459 B10R1.10 COCC1=CC=CC(=N1)C S352160 [2,1,0,0,0,0|1,0,0]=4 460 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [2,1,0,0,0,0|0,1,0]=4 461 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [2,1,0,0,0,0|1,0,0]=4 462 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [2,1,0,0,0,0|0,0,1]=4 463 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [2,1,0,0,0,0|1,0,0]=4 464 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [2,1,0,0,0,0|1,0,0]=4 465 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [2,1,0,0,0,0|1,0,0]=4 466 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [2,1,0,0,0,0|1,0,0]=4 467 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [2,1,0,0,0,0|1,0,0]=4 468 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [2,1,0,0,0,0|1,0,0]=4 469 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [2,1,0,0,0,0|1,0,0]=4 470 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [2,1,0,0,0,0|1,0,0]=4 471 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [2,1,0,0,0,0|1,0,0]=4 472 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [2,1,0,0,0,0|1,0,0]=4 473 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [2,1,0,0,0,0|1,0,0]=4 474 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [2,1,0,0,0,0|1,0,0]=4 475 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [2,1,0,0,0,0|0,0,1]=4 476 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [2,1,0,0,0,0|1,0,0]=4 477 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [2,1,0,0,0,0|1,0,0]=4 478 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [2,1,0,0,0,0|1,0,0]=4 479 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [2,1,0,0,0,0|1,0,0]=4 480 B12R1.4 C#CC1=CC=C(C=C1)CC(C)C S683094 [1,2,0,0,0,0|1,0,0]=4 481 B12R1.4 C(=O)C1=CC=C(C=C1)OC(C)C CDS014228 [1,2,0,0,0,0|0,0,1]=4 482 B12R1.4 CC(C)CC1=CC=C(C=C1)C#N PH017291 [1,2,0,0,0,0|1,0,0]=4 483 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O CDS000461 [1,2,0,0,0,0|0,0,1]=4 484 B12R1.4 COC1=CC=C(C=C1)CN(C)N PH007521 [1,2,0,0,0,0|1,0,0]=4 485 B12R1.4 COC1=CC=C(C=C1)NC(C)C PH009967 [1,2,0,0,0,0|1,0,0]=4 486 B12R1.106 CC(C)(C)OC1=CC=C(C=C1)N OTV000288 [1,2,0,0,0,0|1,0,0]=4 487 B12R1.106 CC(C)(O)CC1=CC=C(C=C1)Cl R278378 [1,2,0,0,0,0|1,0,0]=4 488 B12R1.233 CC(C)OC1=C(C=C(C=C1)N)Cl CDS002313 [1,2,0,0,0,0|1,0,0]=4 489 B12R1.233 CC(C)OC1=CC=C(C=C1O)Cl PH018757 [1,2,0,0,0,0|1,0,0]=4 490 B12R1.233 CC(C)OC1=CC=C(C=C1O)F PH018775 [1,2,0,0,0,0|1,0,0]=4 491 B12R1.5 CCC(O)C1=CC=C(C=C1)OC S434906 [1,2,0,0,0,0|0,0,0]=3 492 B12R1.5 CNC(C)C1=CC=C(C=C1)OC CBR00774 [1,2,0,0,0,0|1,0,0]=4 493 B12R1.5 COC1=CC=C(C=C1)C(N)CF CVT00027 [1,2,0,0,0,0|1,0,0]=4 494 B12R1.5 COC1=CC=C(C=C1)C(O)CN CDS005190 [1,2,0,0,0,0|1,0,0]=4 495 B12R1.9 CCC(C)(O)C1=CC=C(C=C1)Br S497274 [1,2,0,0,0,0|1,0,0]=4 496 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [1,2,0,0,0,0|0,0,1]=4 497 B12R1.367 CCC(C)C1=CC=C(C(=C1)Br)O PH010070 [1,2,0,0,0,0|0,0,0]=3 498 B12R1.367 CCC(C)C1=CC=C(C(=C1)N)O S626791 [1,2,0,0,0,0|0,0,0]=3 499 B12R1.367 CCC(C)C1=CC=C(C(=C1)O)O PH007367 [1,2,0,0,0,0|0,0,0]=3 500 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N CDS014143 [1,2,0,0,0,0|0,0,1]=4 501 B12R1.367 COC(=O)C1=CC=C(C(=C1)Br)O CDS011072 [1,2,0,0,0,0|0,0,1]=4 502 B12R1.367 COC(=O)C1=CC=C(C(=C1)Cl)O PH011381 [1,2,0,0,0,0|0,0,1]=4 503 B12R1.112 C(=O)C1=C(C=CC(=C1)Br)OCC T341215 [1,2,0,0,0,0|1,0,0]=4 504 B12R1.112 CCOC1=C(C=C(C=C1)N)C#N CBR01501 [1,2,0,0,0,0|1,0,0]=4 505 B12R1.112 CCOC1=CC=C(C=C1C=O)Cl CDS020893 [1,2,0,0,0,0|1,0,0]=4 506 B12R1.114 C(=O)C1=CC(=C(C=C1)OCC)Br CDS021544 [1,2,0,0,0,0|0,0,1]=4 507 B12R1.114 CCOC1=C(C=C(C=C1)CO)Cl CBR00273 [1,2,0,0,0,0|0,0,0]=3 508 B12R1.114 CCOC1=CC=C(C=C1C)C=O CDS022250 [1,2,0,0,0,0|0,0,1]=4 509 B12R1.114 CCOC1=COC(=CC1=O)CO PH004619 [1,2,0,0,0,0|1,0,0]=4 510 B12R1.1095 CCOC1=C(C=C(C=C1Br)N)F CDS024366 [1,2,0,0,0,0|1,0,0]=4 511 B12R1.113 CCOC1=CC=C(C=C1)C(=S)N VBP00035 [1,2,0,0,0,0|0,1,0]=4 512 B12R1.113 CCOC1=CC=C(C=N1)C(=O)O CDS010146 [1,2,0,0,0,0|1,0,0]=4 513 B12R1.113 COCC1=CC=C(C=C1)C(=O)O CDS015439 [1,2,0,0,0,0|0,0,0]=3 514 B12R1.113 COCC1=CC=C(C=C1)[N+](=O)[O-] S648310 [1,2,0,0,0,0|0,0,1]=4 515 B12R1.113 CSCC1=CC=C(C=C1)C(=O)O OTV000788 [1,2,0,0,0,0|0,1,0]=4 516 B12R1.116 C(=O)NC1=CC=C(C=C1)OCC S516678 [1,2,0,0,0,0|0,0,1]=4 517 B12R1.116 CCOC1=CC=C(C=C1)CC#N PH011507 [1,2,0,0,0,0|1,0,0]=4 518 B12R1.116 CCOC1=CC=C(C=C1)CCN PH017152 [1,2,0,0,0,0|1,0,0]=4 519 B12R1.116 CCOC1=CC=C(C=C1)CCO PH011481 [1,2,0,0,0,0|0,0,0]=3 520 B12R1.116 OCCC1=CC=C(C=C1)CCO CDS000269 [1,2,0,0,0,0|1,0,0]=4 521 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CDS009889 [1,2,0,0,0,0|0,0,0]=3 522 B12R1.288 CCOC1=CC=C(C(=C1)O)C=O CDS011578 [1,2,0,0,0,0|0,0,1]=4 523 B12R1.288 COC1=CC=C(C=C1Cl)CCN CDS008271 [1,2,0,0,0,0|1,0,0]=4 524 B12R1.288 COCC1=CC(=O)C(=CO1)OC L307726 [1,2,0,0,0,0|1,0,0]=4 525 B12R1.288 COCC1=CC=C(C(=N1)Br)OC ADE000221 [1,2,0,0,0,0|1,0,0]=4 526 B12R1.286 CCCC1=CC=C(C(=C1)C=O)O ASX00135 [1,2,0,0,0,0|0,0,0]=3 527 B12R1.286 CCOC1=CC=C(C(=C1)C=O)O ASX00006 [1,2,0,0,0,0|0,0,0]=3 528 B12R1.3 CCN[C@H](CO)C1=CC=CC=C1 PH015092 [1,2,0,0,0,0|1,0,0]=4 529 B12R1.30 CC(OCCO)C1=CC=CC=C1 PH001956 [1,2,0,0,0,0|0,0,0]=3 530 B12R1.30 CCCCC(O)C1=CC=CC=C1 S458872 [1,2,0,0,0,0|1,0,0]=4 531 B12R1.30 CCSCC(=O)C1=CC=CC=C1 S577030 [1,2,0,0,0,0|0,1,0]=4 532 B12R1.30 O=C(OCCI)C1=CC=CC=C1 T245305 [1,2,0,0,0,0|0,0,1]=4 533 B12R1.34 CCC(=O)C(C)C1=CC=CC=C1 S593516 [1,2,0,0,0,0|1,0,0]=4 534 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [1,2,0,0,0,0|1,0,0]=4 535 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [1,2,0,0,0,0|1,0,0]=4 536 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [1,2,0,0,0,0|1,0,0]=4 537 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [1,2,0,0,0,0|1,0,0]=4 538 B12R1.39 CCCC(C)(O)C1=CC=CC=C1 S109665 [1,2,0,0,0,0|1,0,0]=4 539 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CDS000576 [1,2,0,0,0,0|0,0,1]=4 540 B12R1.308 CCCC(C)C1=CC=CC=C1O S371343 [1,2,0,0,0,0|1,0,0]=4 541 B12R1.308 CCOC(=O)C1=C(C=CC=C1)F PH014251 [1,2,0,0,0,0|0,0,1]=4 542 B12R1.125 CC1=CC=CC=C1CNC(C)C CDS011840 [1,2,0,0,0,0|1,0,0]=4 543 B12R1.267 CCCCOC1=CC=CC=C1C S518476 [1,2,0,0,0,0|1,0,0]=4 544 B12R1.267 CCCCOC1=CC=CC=C1N CDS001693 [1,2,0,0,0,0|1,0,0]=4 545 B12R1.267 CCCNCC1=CC=CC=C1N PH010097 [1,2,0,0,0,0|1,0,0]=4 546 B12R1.371 CCN(N)CC1=C(C=CC=C1)Br PH000635 [1,2,0,0,0,0|1,0,0]=4 547 B12R1.28 CCCCOC1=CC=CC(=C1)N CBR00368 [1,2,0,0,0,0|1,0,0]=4 548 B12R1.28 CCCCOC1=CC=CC(=C1)O PH015345 [1,2,0,0,0,0|1,0,0]=4 549 B12R1.28 CCOCCC1=CC=CC(=N1)C S361399 [1,2,0,0,0,0|1,0,0]=4 550 B12R1.8 BrCCCCCC1=CC=CC=C1 PH016116 [1,2,0,0,0,0|1,0,0]=4 551 B12R1.8 BrCCCCSC1=CC=CC=C1 PH010302 [1,2,0,0,0,0|1,0,0]=4 552 B12R1.8 C#CCCOCC1=CC=CC=C1 T269069 [1,2,0,0,0,0|0,0,0]=3 553 B12R1.8 CCCCCOC1=CC=CC=C1 S563374 [1,2,0,0,0,0|1,0,0]=4 554 B12R1.8 CCCCN=CC1=CC=CC=C1 S381322 [1,2,0,0,0,0|1,0,0]=4 555 B12R1.8 CCCNCCC1=CC=CC=C1 CBR00107 [1,2,0,0,0,0|1,0,0]=4 556 B12R1.8 CCNCCCC1=CC=CC=C1 PH014136 [1,2,0,0,0,0|1,0,0]=4 557 B12R1.8 CCNCCOC1=CC=CC=C1 CBR00951 [1,2,0,0,0,0|1,0,0]=4 558 B12R1.8 CNCCNCC1=CC=CC=C1 PH010277 [1,2,0,0,0,0|1,0,0]=4 559 B12R1.8 ClCCCOCC1=CC=CC=C1 PH011743 [1,2,0,0,0,0|0,0,0]=3 560 B12R1.8 N#CCCCCC1=CC=CC=C1 PH002674 [1,2,0,0,0,0|1,0,0]=4 561 B12R1.8 N#CCCOCC1=CC=CC=C1 ANV00259 [1,2,0,0,0,0|0,0,0]=3 562 B12R1.8 N#CCCSCC1=CC=CC=C1 S614068 [1,2,0,0,0,0|0,1,0]=4 563 B12R1.8 N#CCOCCC1=CC=CC=C1 S148911 [1,2,0,0,0,0|0,0,1]=4 564 B12R1.8 NNCCCCC1=CC=CC=C1 PH018955 [1,2,0,0,0,0|1,0,0]=4 565 B12R1.8 OCCCNCC1=CC=CC=C1 S376310 [1,2,0,0,0,0|1,0,0]=4 566 B12R1.8 OCCCSCC1=CC=CC=C1 T166324 [1,2,0,0,0,0|0,1,0]=4 567 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [1,2,0,0,0,0|1,0,0]=4 568 B12R1.27 CCC(=O)O[Hg]C1=CC=CC=C1 S522473 [1,2,0,0,0,0|1,0,0]=4 569 B12R1.27 CSC(=S)OCC1=CC=CC=C1 S863475 [1,2,0,0,0,0|0,0,1]=4 570 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [1,2,0,0,0,0|0,0,1]=4 571 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [1,2,0,0,0,0|1,0,0]=4 572 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [1,2,0,0,0,0|1,0,0]=4 573 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 L497142 [1,2,0,0,0,0|1,0,0]=4 574 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 S343471 [1,2,0,0,0,0|1,0,0]=4 575 B12R1.32 CCOC(=O)NC1=CC=CC=C1 S714615 [1,2,0,0,0,0|0,0,1]=4 576 B12R1.32 CCOC(=O)OC1=CC=CC=C1 S509043 [1,2,0,0,0,0|0,0,1]=4 577 B12R1.32 CCOC(=S)NC1=CC=CC=C1 S412716 [1,2,0,0,0,0|0,0,1]=4 578 B12R1.32 CN(CCCl)CC1=CC=CC=C1 S427179 [1,2,0,0,0,0|1,0,0]=4 579 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [1,2,0,0,0,0|0,1,0]=4 580 B12R1.252 CC(=O)O[Hg]CC1=CC=CC=C1 S881120 [1,2,0,0,0,0|0,0,1]=4 581 B12R1.252 CC(C)CCNC1=CC=CC=C1 S705780 [1,2,0,0,0,0|1,0,0]=4 582 B12R1.252 CC(C)CNCC1=CC=CC=C1 CBR01593 [1,2,0,0,0,0|1,0,0]=4 583 B12R1.252 CC(O)CCCC1=CC=CC=C1 PH000677 [1,2,0,0,0,0|1,0,0]=4 584 B12R1.252 CC(O)CCSC1=CC=CC=C1 T233005 [1,2,0,0,0,0|1,0,0]=4 585 B12R1.252 CC(O)CNCC1=CC=CC=C1 PH009735 [1,2,0,0,0,0|1,0,0]=4 586 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [1,2,0,0,0,0|0,0,0]=3 587 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 PH007995 [1,2,0,0,0,0|1,0,0]=4 588 B12R1.252 [SiH](C)(C)CCCC1=CC=CC=C1 S829870 [1,2,0,0,0,0|1,0,0]=4 589 B12R1.118 CCN(CC)CC1=CC=CC=C1 R235946 [1,2,0,0,0,0|1,0,0]=4 590 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 PH010917 [1,2,0,0,0,0|1,0,0]=4 591 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 PH000278 [1,2,0,0,0,0|0,1,0]=4 592 B12R1.891 CC(C)(C)OCC1=CC=CC=C1 S653853 [1,2,0,0,0,0|0,0,0]=3 593 B14R1.14 C=CCCCCOC1=CC=C(C=C1)O S262293 [0,3,0,0,0,0|1,0,0]=4 594 B14R1.14 CCCCCCCC1=CC=C(C=C1)O CDS000684 [0,3,0,0,0,0|1,0,0]=4 595 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)O S582131 [0,3,0,0,0,0|0,0,0]=3 596 B14R1.502 CCOC(=O)CNC1=CC=C(C=C1)Br PH009987 [0,3,0,0,0,0|1,0,0]=4 597 B14R1.502 CCOC(=O)CNC1=CC=C(C=C1)Cl PH011710 [0,3,0,0,0,0|1,0,0]=4 598 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl PH010408 [0,3,0,0,0,0|1,0,0]=4 599 B14R1.774 CCCCCCC1=CC=C(C=C1C)O PH007150 [0,3,0,0,0,0|1,0,0]=4 600 B14R1.776 COC1=CC=C(C=C1)COCCCO T269409 [0,3,0,0,0,0|0,0,0]=3 601 B14R1.5 CCC(=O)NCC1=CC=C(C=C1)OC R343323 [0,3,0,0,0,0|1,0,0]=4 602 B14R1.5 CNC(=O)OCC1=CC=C(C=C1)OC PH009130 [0,3,0,0,0,0|0,0,1]=4 603 B14R1.35 CCOC(=O)C(O)C1=CC=C(C=C1)Cl PH009794 [0,3,0,0,0,0|1,0,0]=4 604 B14R1.926 CCCCC(=O)C1=CC=C(C=C1)OC S369608 [0,3,0,0,0,0|1,0,0]=4 605 B14R1.941 CCCOC(=O)C1=CC=C(C(=C1)Cl)O PH010226 [0,3,0,0,0,0|0,0,1]=4 606 B14R1.954 CCOC(=O)CC1=CC=C(C=C1)OC T162671 [0,3,0,0,0,0|0,0,0]=3 607 B14R1.954 CCOC(=O)NC1=CC=C(C=C1)OC S640514 [0,3,0,0,0,0|0,0,1]=4 608 B14R1.463 COC1=CC(=C(C=C1)CCCCO)C S310719 [0,3,0,0,0,0|1,0,0]=4 609 B14R1.4 C=C(C)COCC1=CC=C(C=C1)OC T268909 [0,3,0,0,0,0|0,0,0]=3 610 B14R1.462 CCCCSC1=CC=C(C=C1)B(O)O SYX00289 [0,3,0,0,0,0|1,0,0]=4 611 B14R1.907 CCCCOC1=CC(=C(C=C1)O)C=O ASX00138 [0,3,0,0,0,0|1,0,0]=4 612 B14R1.512 CCCC(C)(CC)C1=CC=C(C=C1)O PH007273 [0,3,0,0,0,0|1,0,0]=4 613 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(C=C1)O PH003356 [0,3,0,0,0,0|0,0,1]=4 614 B14R1.610 CCCC(C)C1=CC=C(C=C1)C(=O)O S486167 [0,3,0,0,0,0|1,0,0]=4 615 B14R1.626 CCOC(=O)C1=CC(=C(C=C1)O)OC S459267 [0,3,0,0,0,0|0,0,1]=4 616 B14R1.6821 CCOC(=O)C1=CC(=C(C(=C1)Cl)O)Cl PH011379 [0,3,0,0,0,0|0,0,1]=4 617 B14R1.6821 CCOC(=O)C1=CC(=C(C(=C1)Cl)O)Cl S361658 [0,3,0,0,0,0|0,0,1]=4 618 B14R1.7265 CCOC(=O)C1=CC=C(C(=C1O)C)O S940968 [0,3,0,0,0,0|0,0,1]=4 619 B14R1.18811 CCOC(=O)C1=C(C=C(C=C1C)O)C S873845 [0,3,0,0,0,0|0,0,1]=4 620 B14R1.419 CC(=O)OCC1=CC=C(C=C1)C(=O)O PH011524 [0,3,0,0,0,0|0,0,1]=4 621 B14R1.65 CCCCC1=CC=C(C=C1)/C(=N/O)/N BOG00086 [0,3,0,0,0,0|1,0,0]=4 622 B14R1.70 CCCCC1=CC=C(C=C1)OCCBr S628891 [0,3,0,0,0,0|1,0,0]=4 623 B10R1.78 C=C1C=CC=CCCCC1 T211605 [1,0,1,1,0,0|1,0,0]=4 624 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [2,0,0,1,0,0|1,0,0]=4 625 B12R2.290 CC1=CC=C(C=C1)C2(CC2)N CBR00914 [1,1,0,1,0,0|1,0,0]=4 626 B12R2.290 NC1(CC1)C2=CC=C(C=C2)Br CDS022491 [1,1,0,1,0,0|1,0,0]=4 627 B12R2.290 NC1(CC1)C2=CC=C(C=C2)Cl OTV000620 [1,1,0,1,0,0|1,0,0]=4 628 B12R2.290 NC1(CC1)C2=CC=C(C=C2)F OTV000627 [1,1,0,1,0,0|1,0,0]=4 629 B12R2.290 NC1(CC1)C2=CC=C(C=C2)F TMT00304 [1,1,0,1,0,0|1,0,0]=4 630 B12R2.612 CC1=CC=C2C(=C1)CCC2N CDS003487 [1,1,0,1,0,0|1,0,0]=4 631 B12R2.2 C1=CC(=CC=N1)C2OCCO2 PH000070 [1,1,0,1,0,0|1,0,0]=4 632 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S109770 [1,1,0,1,0,0|1,0,0]=4 633 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S549312 [1,1,0,1,0,0|1,0,0]=4 634 B12R2.2 C1=CC=C(C=C1)C2NCCS2 S204609 [1,1,0,1,0,0|0,1,0]=4 635 B12R2.2 C1=CC=C(C=C1)C2OCCS2 S653845 [1,1,0,1,0,0|0,0,0]=3 636 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 CDS009943 [1,1,0,1,0,0|1,0,0]=4 637 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [1,1,0,1,0,0|0,0,1]=4 638 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 CDS015636 [1,1,0,1,0,0|1,0,0]=4 639 B14R2.68 FC1=CC=C(C=C1)C2COCCN2 CDS010500 [0,2,0,1,0,0|1,0,0]=4 640 B14R2.68 OC1=CC=C(C=C1)N2CCOCC2 CDS019126 [0,2,0,1,0,0|0,0,0]=3 641 B14R2.926 CC1=CC=C(C=C1)C2OCCN2C T152749 [0,2,0,1,0,0|1,0,0]=4 642 B14R2.739 OC1=CC=C(C(=C1)O)C2CCCC2 PH008554 [0,2,0,1,0,0|1,0,0]=4 643 B14R2.1 COC1=CC=C(C=C1)C2NCCS2 S204684 [0,2,0,1,0,0|0,1,0]=4 644 B14R2.1 COC1=CC=C(C=C1)C2NCCS2 S248819 [0,2,0,1,0,0|0,1,0]=4 645 B14R2.1 COC1=CC=C(C=C1)C2NCCS2 T149403 [0,2,0,1,0,0|0,1,0]=4 646 B14R2.1 COC1=CC=C(C=C1)N2CCCC2 CDS021532 [0,2,0,1,0,0|1,0,0]=4 647 B14R2.1801 COC1=CC=C2C(=C1)CCCC2N T310506 [0,2,0,1,0,0|1,0,0]=4 648 B14R2.1801 COC1=CC=C2C(=C1)CCC[C@@H]2N PH019035 [0,2,0,1,0,0|1,0,0]=4 649 B14R2.1801 COC1=CC=C2C(=C1)CCC[C@H]2N PH019128 [0,2,0,1,0,0|1,0,0]=4 650 B14R2.28 COC1=CC=C(C=C1)CC2(CC2)N PH019041 [0,2,0,1,0,0|1,0,0]=4 651 B14R2.781 CC(O)C1=CC2=C(C=C1)CCCC2 PH015026 [0,2,0,1,0,0|1,0,0]=4 652 B14R2.781 O=C(O)C1=CC=C2CNCCC2=C1 CDS009405 [0,2,0,1,0,0|1,0,0]=4 653 B8R1.8 CCCN1C=CC=C1 PH010280 [2,0,0,0,1,0|1,0,0]=4