0 B11R1.86 C/[N+](=C/C1=C(C=CC=C1)O)/[O-] L170356 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.86 CC(=O)NC1=NC=CC=C1Cl T300071 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.86 CC(=O)ON1C=CC=CC1=O T301086 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.86 CC(C)OC1=CC=CC=C1N CDS002647 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.86 CC(C)SC1=CC=CC=C1N CBR00953 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.86 CC(C)SC1=CC=CC=C1N PH010950 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,0,0,0,0,0|2,0,0]=2 26 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [0,0,0,0,0,0|2,0,0]=2 28 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [0,0,0,0,0,0|2,0,0]=2 29 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.86 O=C(O)CN1C=CC=CC1=O CDS010316 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.86 S=C(S)NC1=C(N=CC=C1)Cl PH013325 [0,0,0,0,0,0|3,1,0]=4 33 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [1,0,0,0,0,0|1,0,0]=2 34 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [1,0,0,0,0,0|0,0,0]=1 36 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.4 CC1=C(N=CC=C1)NC=O S906697 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.4 CCNC1=CC=CC=C1C S571016 [1,0,0,0,0,0|1,0,1]=3 39 B10R1.4 CCOC1=CC=CC=C1F S362085 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [1,0,0,0,0,0|1,0,1]=3 41 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.4 CSCC1=CC=CC=C1Br S663395 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [1,0,0,0,0,0|1,0,0]=2 46 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [1,0,0,0,0,0|1,0,0]=2 53 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,0,0,0,0,0|3,0,0]=4 64 B12R1.75 C(=O)C1=C(C=CC=C1)OC(=O)C R252476 [0,1,0,0,0,0|1,0,1]=3 65 B12R1.75 CC(=O)NC1=CC=CC=C1C#N S192295 [0,1,0,0,0,0|1,0,0]=2 66 B12R1.75 CC(=O)OC1=CC=CC=C1C#N PH000056 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.75 CCC1=C(C=CC=C1)NC(=O)C S764914 [0,1,0,0,0,0|1,0,0]=2 68 B12R1.75 CCC1=CC=CC=C1NC(=O)N S641782 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.75 COC1=C(C=CC=C1)CC(=N)N PH016267 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.75 COC1=C(C=CC=C1)CC(=O)N EME00432 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.75 COC1=CC=CC=C1CN(C)N PH007520 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.75 COC1=CC=CC=C1NC(=O)N S352535 [0,1,0,0,0,0|1,0,0]=2 73 B12R1.75 CSC1=C(C=CC=C1)NC(=O)C PH003618 [0,1,0,0,0,0|0,1,0]=2 74 B12R1.75 CSC1=CC=CC=C1CC(=O)O OTV000686 [0,1,0,0,0,0|2,1,0]=4 75 B12R1.75 N#CC1=CC=CC=C1CC(=O)O CDS011719 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.124 CC(C(=O)O)C1=CC=CC=C1F CDS023363 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.124 CC1=CC=CC=C1C(C)C(=O)O S376779 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.124 CC1=CC=CC=C1N(C)N(C)C PH012360 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.124 CN(C)C(=O)C1=CC=CC=C1O CBR00188 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)O S571989 [0,1,0,0,0,0|0,0,0]=1 81 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)C S344311 [0,1,0,0,0,0|1,0,0]=2 82 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)Cl S390119 [0,1,0,0,0,0|1,0,0]=2 83 B12R1.127 CC(=O)NC1=C(C=CC(=C1)F)C PH011772 [0,1,0,0,0,0|1,0,0]=2 84 B12R1.127 CC(=O)NC1=CC(=CC=C1C)Br CDS021152 [0,1,0,0,0,0|1,0,0]=2 85 B12R1.127 CC(=O)NC1=CC(=CC=[N+]1[O-])C PH009059 [0,1,0,0,0,0|1,0,1]=3 86 B12R1.127 CC(=O)NC1=CC(=CN=C1O)I ADE000682 [0,1,0,0,0,0|1,0,0]=2 87 B12R1.127 CC(=O)NC1=CC(=NN=C1Cl)Cl T163538 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.127 CC(=O)OC1=CC(=CN=C1I)Br ADE000446 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.127 CC1=CC=C(C(=C1)CN(C)C)O PH019553 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.127 CC1=CC=C(C=C1NC(=O)N)Cl S431354 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.127 CN(C)CC1=C(C=CC(=C1)Cl)O PH002200 [0,1,0,0,0,0|3,0,0]=4 92 B12R1.127 N=C(N)SC1=C(C=CC(=C1)O)O PH012138 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.127 NC(=S)NC1=C(C=CC(=C1)Cl)Cl R611735 [0,1,0,0,0,0|2,1,0]=4 94 B12R1.151 CS(=O)(=O)NC1=C(C=CC=C1)Cl T100056 [0,1,0,0,0,0|2,0,0]=3 95 B12R1.151 CS(=O)(=O)NC1=CC=CC=C1O T312002 [0,1,0,0,0,0|1,0,0]=2 96 B12R1.151 CS(=O)(=O)NC1=NC=CC=C1O CDS021146 [0,1,0,0,0,0|2,0,0]=3 97 B12R1.151 O=S(=O)([O-])CC1=CC=CC=C1O S775932 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.224 CC(=O)NC1=C(C(=CN=C1)I)O ADE000683 [0,1,0,0,0,0|1,0,0]=2 99 B12R1.224 CC(=O)NC1=C(C(=NC=C1)I)O ADE000680 [0,1,0,0,0,0|1,0,0]=2 100 B12R1.224 CC(=O)NC1=CC=CC(=C1C)Br R647888 [0,1,0,0,0,0|1,0,0]=2 101 B12R1.224 CC(=O)NC1=[N+](C(=CC=C1)Br)[O-] PH009399 [0,1,0,0,0,0|1,0,1]=3 102 B12R1.224 CC(=O)NC1=[N+](C(=CC=C1)C)[O-] PH009113 [0,1,0,0,0,0|1,0,1]=3 103 B12R1.224 CC1=C(C(=CC=C1)NC(=O)N)C S536148 [0,1,0,0,0,0|2,0,0]=3 104 B12R1.224 CC1=C(C(=CC=C1)NC(=S)N)C R238619 [0,1,0,0,0,0|2,1,0]=4 105 B12R1.224 CC1=CC=CC(=C1O)CN(C)C PH019066 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.224 CN(C)CC1=C(C(=CC=C1)F)O PH019178 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.224 CN(C)CC1=CC=CC(=C1O)Cl PH018977 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.224 NC(=O)NC1=CC=CC(=C1Cl)Cl S599328 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.233 CC(=O)CC1=CC=C(C=C1C)C R226734 [0,1,0,0,0,0|2,0,0]=3 110 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)Br S778214 [0,1,0,0,0,0|1,0,0]=2 111 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)C S507415 [0,1,0,0,0,0|1,0,0]=2 112 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)Br PH006836 [0,1,0,0,0,0|1,0,0]=2 113 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)C S744840 [0,1,0,0,0,0|1,0,0]=2 114 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)I PH005832 [0,1,0,0,0,0|1,0,0]=2 115 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F S754757 [0,1,0,0,0,0|1,0,0]=2 116 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)C L168092 [0,1,0,0,0,0|1,0,0]=2 117 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)Cl PH011376 [0,1,0,0,0,0|1,0,0]=2 118 B12R1.233 CC(=O)NC1=C(C=C(C=C1)O)C PH007046 [0,1,0,0,0,0|1,0,0]=2 119 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)C T331570 [0,1,0,0,0,0|1,0,0]=2 120 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)Cl R591629 [0,1,0,0,0,0|1,0,0]=2 121 B12R1.233 CC(=O)NC1=CC=C(C=C1I)Br R648612 [0,1,0,0,0,0|1,0,0]=2 122 B12R1.233 CC(=O)NC1=NC=C(C=C1Br)N CDS023415 [0,1,0,0,0,0|2,0,0]=3 123 B12R1.233 CC(=S)NC1=C(C=C(C=C1)C)Br R428477 [0,1,0,0,0,0|1,1,0]=3 124 B12R1.233 CC(C)OC1=CC=C(C=C1O)Cl PH018757 [0,1,0,0,0,0|2,0,1]=4 125 B12R1.233 CC(C)OC1=CC=C(C=C1O)F PH018775 [0,1,0,0,0,0|2,0,1]=4 126 B12R1.233 CC1=CC(=CC=C1NC(=O)N)Cl S601519 [0,1,0,0,0,0|2,0,0]=3 127 B12R1.233 CC1=CC=C(C(=C1)C)NC(=N)N S614645 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.233 CC1=CC=C(C(=C1)C)NC(=O)N S411590 [0,1,0,0,0,0|2,0,0]=3 129 B12R1.233 CC1=CC=C(C(=C1)C)NC(=S)N R611220 [0,1,0,0,0,0|2,1,0]=4 130 B12R1.233 CC1=CC=C(C(=C1)O)CC(=O)O PH016856 [0,1,0,0,0,0|2,0,0]=3 131 B12R1.233 FC1=CC(=C(C=C1)NC(=S)S)F S693715 [0,1,0,0,0,0|2,1,0]=4 132 B12R1.233 NC(=O)NC1=CC=C(C=C1Cl)Cl S764116 [0,1,0,0,0,0|2,0,0]=3 133 B12R1.233 NC(=O)NC1=CC=C(C=C1F)F S730564 [0,1,0,0,0,0|2,0,0]=3 134 B12R1.233 NC(=S)NC1=CC=C(C=C1Cl)Cl S655031 [0,1,0,0,0,0|2,1,0]=4 135 B12R1.371 CC1=C(C=CC=C1)NC(=O)C#N S898007 [0,1,0,0,0,0|1,0,1]=3 136 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S278939 [0,1,0,0,0,0|1,0,0]=2 137 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S292044 [0,1,0,0,0,0|1,0,0]=2 138 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S378208 [0,1,0,0,0,0|1,0,0]=2 139 B12R1.371 CC1=CC=CC=C1NC(=O)CN CBR02475 [0,1,0,0,0,0|1,0,0]=2 140 B12R1.371 CCC(=O)NC1=C(C=CC=C1)Cl R131482 [0,1,0,0,0,0|1,0,0]=2 141 B12R1.371 CNC(=O)NC1=C(C=CC=C1)C S606529 [0,1,0,0,0,0|1,0,0]=2 142 B12R1.371 CNC(=O)NC1=CC=CC=C1Cl S595381 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.371 CNC(=S)NC1=C(C=CC=C1)C PH010050 [0,1,0,0,0,0|1,1,0]=3 144 B12R1.371 CNC(=S)NC1=C(C=CC=C1)Cl PH010055 [0,1,0,0,0,0|1,1,0]=3 145 B12R1.371 COC(=O)CC1=C(C=CC=C1)Cl EME00173 [0,1,0,0,0,0|2,0,0]=3 146 B12R1.371 COC(=O)CC1=CC=CC=C1Br CDS003546 [0,1,0,0,0,0|2,0,0]=3 147 B12R1.371 COC(=O)CC1=CC=CC=C1F VBP00089 [0,1,0,0,0,0|2,0,0]=3 148 B12R1.371 COC(=O)C[N+]1=CC=CC=C1C R433624 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.371 COC(=O)NC1=C(C=CC=C1)C S628336 [0,1,0,0,0,0|1,0,0]=2 150 B12R1.371 COC(=O)NC1=C(C=CC=C1)Cl S634352 [0,1,0,0,0,0|1,0,0]=2 151 B12R1.371 N#CC(=O)NC1=C(C=CC=C1)Cl S898082 [0,1,0,0,0,0|1,0,1]=3 152 B12R1.371 N#CC(=O)NC1=C(C=CC=C1)F S898724 [0,1,0,0,0,0|1,0,1]=3 153 B12R1.371 NNC(=O)CC1=C(C=CC=C1)F CBR02131 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.371 NNC(=O)CC1=CC=CC=C1O S668850 [0,1,0,0,0,0|2,0,0]=3 155 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)F R590193 [0,1,0,0,0,0|1,0,0]=2 156 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)O S501069 [0,1,0,0,0,0|0,0,0]=1 157 B12R1.371 O=C(CCl)NC1=C(C=CN=C1)O ADE000690 [0,1,0,0,0,0|1,0,0]=2 158 B12R1.371 O=C(CCl)NC1=CC=CN=C1Cl R590096 [0,1,0,0,0,0|2,0,0]=3 159 B12R1.371 O=C(CCl)NC1=CC=CN=C1O ADE000691 [0,1,0,0,0,0|1,0,0]=2 160 B12R1.371 O=C(CCl)OC1=C(C=CC=C1)F PH008803 [0,1,0,0,0,0|2,0,0]=3 161 B12R1.371 O=C(CI)NC1=CC=CC=C1Cl R823252 [0,1,0,0,0,0|1,0,0]=2 162 B12R1.371 O=C(NO)NC1=CC=CC=C1Cl S647209 [0,1,0,0,0,0|2,0,0]=3 163 B12R1.1009 CC(=O)NC1=C(C=CC=C1C)Cl R591661 [0,1,0,0,0,0|1,0,0]=2 164 B12R1.1009 CC(=O)NC1=C(C=CC=C1Cl)Cl R646350 [0,1,0,0,0,0|1,0,0]=2 165 B12R1.1009 CC(=O)OC1=C(C=CC=C1C)C S240354 [0,1,0,0,0,0|2,0,0]=3 166 B12R1.1009 CC1=CC=CC(=C1NC(=O)N)Cl S708852 [0,1,0,0,0,0|2,0,0]=3 167 B12R1.1009 CC1=CC=CC(=C1NC(=S)N)C S862762 [0,1,0,0,0,0|2,1,0]=4 168 B12R1.1009 CN(C)CC1=C(C=CC=C1F)O PH018981 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.1009 NC(=S)NC1=C(C=CC=C1Cl)Cl PH011794 [0,1,0,0,0,0|2,1,0]=4 170 B10R0.23 C=CCC(NC(=O)C)C(=O)O S802913 [0,0,1,0,0,0|1,0,2]=4 171 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [0,0,0,1,0,0|1,1,1]=4 172 B12R2.24 N=C1CSC2=C(N1)C=CC=C2 PH008148 [0,0,0,1,0,0|1,1,0]=3 173 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [0,0,0,1,0,0|3,0,0]=4 174 B12R2.24 NC1COC2=CC=CC=C2C1 CBR01531 [0,0,0,1,0,0|2,0,1]=4 175 B12R2.24 NC1COC2=CC=CC=C2C1 CDS007242 [0,0,0,1,0,0|2,0,1]=4 176 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,0,0,1,0,0|1,0,0]=2 177 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,0,0,1,0,0|1,0,0]=2 178 B12R2.24 O=C1COC2=CC=NC=C2N1 ADE001248 [0,0,0,1,0,0|1,0,0]=2 179 B12R2.24 O=C1COC2=NC=CC=C2N1 ADE001249 [0,0,0,1,0,0|1,0,0]=2 180 B12R2.24 O=C1CSC2=NC=CC=C2N1 PH011261 [0,0,0,1,0,0|1,1,0]=3 181 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,0,0,1,0,0|1,1,0]=3 182 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [0,0,0,1,0,0|0,1,0]=2 183 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [0,0,0,1,0,0|2,1,0]=4 184 B12R2.95 CC1(NC2=C(S1)C=CC=C2)C S435333 [0,0,0,1,0,0|1,1,1]=4 185 B12R2.202 CC1=CC2=CC=CC(=C2O1)N CBR00813 [0,0,0,1,0,0|3,0,0]=4 186 B12R2.202 CC1=NC2=CC=CC(=C2O1)Br CDS021215 [0,0,0,1,0,0|3,0,0]=4 187 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 OTV000480 [0,0,0,1,0,0|2,0,0]=3 188 B12R2.202 NC1=NC2=C(C=CC=C2S1)O CDS003821 [0,0,0,1,0,0|1,1,1]=4 189 B12R2.202 O=C1C=C2C(=CC=CC2=N1)F CDS021261 [0,0,0,1,0,0|3,0,0]=4 190 B12R2.202 O=C1CC2=C(N1)C(=CC=C2)I PH016779 [0,0,0,1,0,0|1,0,0]=2 191 B12R2.202 O=C1NC2=C(S1)C=CC=C2Cl R587559 [0,0,0,1,0,0|2,0,0]=3 192 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,0,0,0,1,0|2,0,0]=3 193 B10R1.61 CC(=O)C1=NC=CN=C1Cl PHB00229 [0,0,0,0,1,0|3,0,0]=4 194 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [0,0,0,0,1,0|2,0,1]=4 195 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [0,0,0,0,1,0|2,0,1]=4 196 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [0,0,0,0,1,0|2,0,1]=4 197 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [0,0,0,0,1,0|1,0,2]=4 198 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [0,0,0,0,1,0|2,1,0]=4 199 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [0,0,0,0,1,0|3,0,0]=4 200 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [0,0,0,0,1,0|3,0,0]=4 201 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [0,0,0,0,1,0|3,0,0]=4 202 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [0,0,0,0,1,0|2,0,1]=4 203 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [0,0,0,0,1,0|3,0,0]=4 204 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [0,0,0,0,1,0|1,0,0]=2 205 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [0,0,0,0,1,0|1,0,1]=3 206 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [0,0,0,0,1,0|3,0,0]=4 207 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [0,0,0,0,1,0|3,0,0]=4 208 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [0,0,0,0,1,0|3,0,0]=4 209 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [0,0,0,0,1,0|3,0,0]=4 210 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [0,0,0,0,1,0|1,0,0]=2 211 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [0,0,0,0,1,0|1,0,0]=2 212 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [0,0,0,0,1,0|3,0,0]=4 213 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [0,0,0,0,1,0|2,0,0]=3 214 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [0,0,0,0,1,0|1,0,0]=2 215 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [0,0,0,0,1,0|2,0,1]=4 216 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [0,0,0,0,1,0|2,1,0]=4 217 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [0,0,0,0,1,0|2,0,1]=4 218 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [0,0,0,0,1,0|2,0,1]=4 219 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [0,0,0,0,1,0|1,1,0]=3 220 B12R1.125 C=C(C)COC1=CC=CC=C1Cl PH007539 [0,0,0,0,0,1|3,0,0]=4 221 B12R1.125 C=C(C)CSC1=CC=CC=C1C S722219 [0,0,0,0,0,1|3,0,0]=4 222 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [0,0,0,0,0,1|2,0,0]=3 223 B12R1.125 CC(=O)OCC1=C(C=NC=C1)C T161446 [0,0,0,0,0,1|3,0,0]=4 224 B12R1.125 CC(=O)OCC1=C(C=NC=C1)Cl T161071 [0,0,0,0,0,1|3,0,0]=4 225 B12R1.125 CC1=C(C=CC=C1)NCC(=O)O R871230 [0,0,0,0,0,1|2,0,0]=3 226 B12R1.125 CC1=CC=CC=C1CNC(C)C CDS011840 [0,0,0,0,0,1|2,0,1]=4 227 B12R1.125 CC1=CC=CC=C1OCC(=O)N R715522 [0,0,0,0,0,1|3,0,0]=4 228 B12R1.125 CC1=CC=CC=C1SCC(=O)O R363820 [0,0,0,0,0,1|3,0,0]=4 229 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [0,0,0,0,0,1|3,0,0]=4 230 B12R1.125 NC(=O)COC1=C(C=CC=C1)O CDS020826 [0,0,0,0,0,1|2,0,0]=3 231 B12R1.125 NC1=C(C=CC=C1)/C=C/C(=O)O PH011123 [0,0,0,0,0,1|3,0,0]=4 232 B12R1.125 O=C(Cl)COC1=C(C=CC=C1)Cl OTV000735 [0,0,0,0,0,1|3,0,0]=4 233 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl PH010874 [0,0,0,0,0,1|3,0,0]=4 234 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [0,0,0,0,0,1|3,0,0]=4 235 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl R871222 [0,0,0,0,0,1|2,0,0]=3 236 B12R1.125 O=C(O)CNC1=C(C=CC=C1)F L447560 [0,0,0,0,0,1|2,0,0]=3 237 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl CDS001276 [0,0,0,0,0,1|3,0,0]=4 238 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [1,0,1,0,0,0|2,0,0]=4 239 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [2,0,0,0,0,0|1,0,0]=3 240 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.8 CNNC1=CC=CC=C1 PH012261 [2,0,0,0,0,0|1,0,0]=3 242 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [2,0,0,0,0,0|0,0,1]=3 243 B9R1.15 CC1=C(C=CC=C1)NN R580260 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [2,0,0,0,0,0|1,0,0]=3 247 B9R1.15 CNC1=NC=CC=C1Cl T169315 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.15 COC1=CC=CC=C1N CDS000192 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [2,0,0,0,0,0|1,0,1]=4 253 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [2,0,0,0,0,0|2,0,0]=4 254 B11R1.13 CC1=C(C(=CC=C1)NC=O)C PH010206 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.13 CC1=C(C=CC=C1Cl)NC=O S576794 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.13 CCCC1=C(C(=CC=C1)C)O S405507 [1,1,0,0,0,0|1,0,1]=4 257 B11R1.13 O=CNC1=C(C(=CC=C1)Cl)Cl S623296 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.17 C=CCNC1=CC=CC=C1C S432768 [1,1,0,0,0,0|1,0,1]=4 260 B11R1.17 CC1=C(C=CC=C1)NCCN PH010276 [1,1,0,0,0,0|1,0,1]=4 261 B11R1.41 CCC1=C(C=CC=C1)NC=O S623350 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.41 CCNC1=NC=CC=C1OC VBP00022 [1,1,0,0,0,0|1,0,1]=4 263 B11R1.41 COC1=CC=CC=C1CSC S697931 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.81 C(=O)NC1=C(C=C(C=C1)Cl)Cl S576786 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.81 CC1=C(C=CC(=C1)Br)NC=O S624586 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.81 CC1=C(C=CC(=C1)Cl)NC=O S576395 [1,1,0,0,0,0|1,0,0]=3 267 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.81 O=CNC1=C(C=C(C=C1)Br)Cl S746355 [1,1,0,0,0,0|1,0,0]=3 269 B11R1.182 C(=O)NC1=C(C=CC(=C1)C)C S576549 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.182 C=CCC1=CC(=CC=C1O)C S35298 [1,1,0,0,0,0|1,0,1]=4 271 B11R1.182 CC1=C(C=C(C=C1)Cl)NC=O S623288 [1,1,0,0,0,0|1,0,0]=3 272 B11R1.182 CC1=CC(=C(C=C1)C)CC=O PH015094 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.182 CNCC1=CC(=CC=C1O)F CDS021392 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.182 O=CNC1=CC(=CC=C1Cl)Cl PH000061 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.222 CCN(N)C1=CC=CC=C1C PH012201 [1,1,0,0,0,0|1,0,1]=4 276 B11R1.605 C(=O)NC1=C(C=CC=C1C)C S396656 [1,1,0,0,0,0|1,0,0]=3 277 B11R1.605 C(=O)NC1=C(C=CC=C1C)Cl S625477 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [1,1,0,0,0,0|0,0,0]=2 284 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [1,1,0,0,0,0|0,0,0]=2 285 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [1,1,0,0,0,0|0,0,0]=2 286 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [1,1,0,0,0,0|1,0,0]=3 287 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [1,1,0,0,0,0|1,0,0]=3 289 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S614556 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S862371 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [1,1,0,0,0,0|1,0,0]=3 294 B11R1.20 CC1=CC=C(C=C1)NC(=S)N R612898 [1,1,0,0,0,0|1,1,0]=4 295 B11R1.20 N=C(N)NC1=CC=C(C=C1)F S614564 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [1,1,0,0,0,0|1,0,0]=3 298 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [1,1,0,0,0,0|1,0,0]=3 299 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br PH010901 [1,1,0,0,0,0|1,1,0]=4 300 B11R1.20 NC(=S)NC1=CC=C(C=C1)Cl PH010858 [1,1,0,0,0,0|1,1,0]=4 301 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [1,1,0,0,0,0|0,0,0]=2 306 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [1,1,0,0,0,0|1,0,0]=3 307 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [1,1,0,0,0,0|1,0,0]=3 312 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [1,1,0,0,0,0|1,0,1]=4 313 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [1,1,0,0,0,0|0,1,0]=3 314 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [1,1,0,0,0,0|1,0,1]=4 315 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [1,1,0,0,0,0|0,0,2]=4 316 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [1,1,0,0,0,0|0,0,0]=2 320 B11R1.40 COC(=O)NC1=CN=CC=C1 R427268 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [1,1,0,0,0,0|1,0,0]=3 322 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [1,1,0,0,0,0|0,1,0]=3 323 B11R1.40 CSC(=S)NC1=CC=CC=N1 PH002652 [1,1,0,0,0,0|1,1,0]=4 324 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [1,1,0,0,0,0|0,0,0]=2 325 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [1,1,0,0,0,0|0,0,0]=2 327 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [1,1,0,0,0,0|1,0,0]=3 329 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [1,1,0,0,0,0|1,0,0]=3 330 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [1,1,0,0,0,0|0,0,0]=2 332 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [1,1,0,0,0,0|0,0,0]=2 333 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [1,1,0,0,0,0|0,0,0]=2 334 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [1,1,0,0,0,0|1,0,0]=3 335 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.157 CC1=CC(=CC=C1)NC(C)C S657476 [1,1,0,0,0,0|1,0,1]=4 338 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [1,1,0,0,0,0|1,0,0]=3 339 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [1,1,0,0,0,0|1,0,0]=3 340 B11R1.157 NC(=S)NC1=CC=CC(=C1)Cl S549614 [1,1,0,0,0,0|1,1,0]=4 341 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.509 CS(=O)(=O)NC1=CC=CC=N1 T326070 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [0,1,0,0,1,0|2,0,0]=4 345 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N CDS017334 [0,1,0,0,1,0|1,0,0]=3 346 B11R1.53 CNC1=C(C=CC=C1)C(=O)N CDS003164 [0,1,0,0,1,0|2,0,0]=4 347 B11R1.53 CNC1=C(C=CC=C1)C(=O)O PH010971 [0,1,0,0,1,0|2,0,0]=4 348 B11R1.53 CNC1=CC=CC=C1C(=O)O R462381 [0,1,0,0,1,0|2,0,0]=4 349 B11R1.53 COC1=CC=CC=C1C(=N)N PH017180 [0,1,0,0,1,0|2,0,0]=4 350 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [0,1,0,0,1,0|1,0,0]=3 351 B11R1.53 COC1=CC=CC=C1C(C)N CDS019753 [0,1,0,0,1,0|1,0,1]=4 352 B11R1.53 COC1=CC=CC=C1C(C)N R733547 [0,1,0,0,1,0|1,0,1]=4 353 B11R1.53 N#CC1=CC=CC=C1C(=O)Cl CDS008574 [0,1,0,0,1,0|2,0,0]=4 354 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [0,1,0,0,1,0|1,0,0]=3 355 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)C PH003545 [0,1,0,0,1,0|2,0,0]=4 356 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)N CDS004952 [0,1,0,0,1,0|2,0,0]=4 357 B11R1.87 CS(=O)(=O)C1=CC=CC=C1O CDS005712 [0,1,0,0,1,0|1,0,0]=3 358 B11R1.87 O=S(=O)(O)C1=C(C=CC=C1)O CDS013549 [0,1,0,0,1,0|2,0,0]=4 359 B11R1.87 O=S(=O)([O-])C1=CC=CC=C1O T330655 [0,1,0,0,1,0|2,0,0]=4 360 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [0,1,0,0,1,0|1,0,0]=3 361 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CDS003590 [0,1,0,0,1,0|2,0,0]=4 362 B11R1.156 CC1=CC=CC(=C1C(=O)O)Cl CDS000889 [0,1,0,0,1,0|2,0,0]=4 363 B11R1.156 CC1=CC=CC(=C1C(=O)O)F CDS007502 [0,1,0,0,1,0|2,0,0]=4 364 B11R1.156 NC(=O)C1=C(C=CC=C1N)F CDS011322 [0,1,0,0,1,0|2,0,0]=4 365 B11R1.156 O=C(O)C1=C(C=CC=C1Br)O CDS023946 [0,1,0,0,1,0|1,0,0]=3 366 B11R1.156 O=C(O)C1=C(C=CC=C1Cl)O CDS023309 [0,1,0,0,1,0|1,0,0]=3 367 B11R1.156 O=C(O)C1=C(C=CN=C1Br)O CDS023702 [0,1,0,0,1,0|2,0,0]=4 368 B11R1.156 O=C([O-])C1=C(C=CC=C1O)O S560618 [0,1,0,0,1,0|1,0,0]=3 369 B11R1.156 O=[N+]([O-])C1=C(C=CC=C1O)F CDS004611 [0,1,0,0,1,0|2,0,0]=4 370 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [0,1,0,0,1,0|1,0,0]=3 371 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [0,1,0,0,1,0|1,0,0]=3 372 B11R1.159 CC1=C(C=CC=C1C(=O)O)O PH005167 [0,1,0,0,1,0|2,0,0]=4 373 B11R1.159 CC1=C(C=CC=C1N)C(=O)N TMT00436 [0,1,0,0,1,0|2,0,0]=4 374 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [0,1,0,0,1,0|2,0,0]=4 375 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [0,1,0,0,1,0|2,0,0]=4 376 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [0,1,0,0,1,0|2,0,0]=4 377 B11R1.159 NC1=C(C=CC=C1Br)C(=O)O CDS004818 [0,1,0,0,1,0|2,0,0]=4 378 B11R1.159 NC1=C(C=CC=C1F)C(=O)O CDS000074 [0,1,0,0,1,0|2,0,0]=4 379 B11R1.159 NC1=C(C=CC=C1O)C(=O)O CDS000116 [0,1,0,0,1,0|2,0,0]=4 380 B11R1.159 O=C(Cl)C1=CC=CC(=C1Cl)Cl CDS001447 [0,1,0,0,1,0|2,0,0]=4 381 B11R1.159 O=C(O)C1=C(C(=NC=C1)Cl)O PH015440 [0,1,0,0,1,0|2,0,0]=4 382 B11R1.159 O=C(O)C1=CC=CC(=C1Br)F CDS002241 [0,1,0,0,1,0|2,0,0]=4 383 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)Cl)O S577219 [0,1,0,0,1,0|2,0,0]=4 384 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)O)O PH000226 [0,1,0,0,1,0|2,0,0]=4 385 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [0,1,0,0,1,0|1,0,0]=3 386 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,1,0,0,1,0|0,0,0]=2 387 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,1,0,0,1,0|0,0,0]=2 388 B11R1.166 CC(=O)C1=NC=C(C=C1F)Br ADE000139 [0,1,0,0,1,0|2,0,0]=4 389 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [0,1,0,0,1,0|2,0,0]=4 390 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)O PH011699 [0,1,0,0,1,0|2,0,0]=4 391 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [0,1,0,0,1,0|1,0,0]=3 392 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [0,1,0,0,1,0|2,0,0]=4 393 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [0,1,0,0,1,0|2,0,0]=4 394 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [0,1,0,0,1,0|2,0,0]=4 395 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [0,1,0,0,1,0|2,0,0]=4 396 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [0,1,0,0,1,0|1,0,0]=3 397 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [0,1,0,0,1,0|2,0,0]=4 398 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [0,1,0,0,1,0|2,0,0]=4 399 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,1,0,0,1,0|1,0,0]=3 400 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [0,1,0,0,1,0|1,0,0]=3 401 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)Br ADE000790 [0,1,0,0,1,0|2,0,0]=4 402 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)C ADE000737 [0,1,0,0,1,0|2,0,0]=4 403 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)F ADE000775 [0,1,0,0,1,0|2,0,0]=4 404 B11R1.167 CC(=O)C1=CC(=CN=C1F)Br PHB00150 [0,1,0,0,1,0|2,0,0]=4 405 B11R1.167 CC(C)C1=CC(=CC=C1O)O S841269 [0,1,0,0,1,0|1,0,1]=4 406 B11R1.167 CC(O)C1=C(C=CC(=C1)F)O CDS021193 [0,1,0,0,1,0|0,0,2]=4 407 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [0,1,0,0,1,0|2,0,0]=4 408 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [0,1,0,0,1,0|1,0,0]=3 409 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [0,1,0,0,1,0|2,0,0]=4 410 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)N PH011240 [0,1,0,0,1,0|2,0,0]=4 411 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [0,1,0,0,1,0|1,0,0]=3 412 B11R1.167 NC(=S)C1=CC(=CC=C1O)Br OTV000263 [0,1,0,0,1,0|1,1,0]=4 413 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [0,1,0,0,1,0|2,0,0]=4 414 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [0,1,0,0,1,0|2,0,0]=4 415 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [0,1,0,0,1,0|2,0,0]=4 416 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [0,1,0,0,1,0|2,0,0]=4 417 B11R1.167 NC1=CC=C(C=C1C(=O)[O-])Br S837253 [0,1,0,0,1,0|2,0,0]=4 418 B11R1.167 O=C(Cl)C1=C(C=CC(=C1)Cl)Cl CDS000617 [0,1,0,0,1,0|2,0,0]=4 419 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)Br R703230 [0,1,0,0,1,0|2,0,0]=4 420 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)I PH001989 [0,1,0,0,1,0|2,0,0]=4 421 B11R1.167 O=C(O)C1=CC(=CN=C1O)Br CDS003972 [0,1,0,0,1,0|2,0,0]=4 422 B13R1.90 CC(=O)COC1=CC=CC=C1C#N R299871 [0,1,0,0,0,1|2,0,0]=4 423 B13R1.90 CCC1=C(C=CC=C1)NCC(=O)O R761990 [0,1,0,0,0,1|2,0,0]=4 424 B13R1.90 COC1=CC=CC=C1NCC(=O)O T109304 [0,1,0,0,0,1|1,0,0]=3 425 B13R1.150 CC1=C(C=CC=C1NCC(=O)O)Cl T110809 [0,1,0,0,0,1|2,0,0]=4 426 B13R1.150 CC1=CC=CC(=C1C)NCC(=O)O L172502 [0,1,0,0,0,1|2,0,0]=4 427 B13R1.164 CC(=O)/C=C/C1=C(C=C(C=C1)Cl)Cl R613541 [0,1,0,0,0,1|2,0,0]=4 428 B13R1.164 CC(=O)NNC1=C(C=C(C=C1)C)N S926396 [0,1,0,0,0,1|1,0,0]=3 429 B13R1.164 CC1=CC(=C(C=C1)NCC(=O)O)C L172472 [0,1,0,0,0,1|2,0,0]=4 430 B13R1.164 O=C(O)CNC1=CC=C(C=C1Cl)Br R822086 [0,1,0,0,0,1|2,0,0]=4 431 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1O CDS008776 [0,1,0,0,0,1|1,0,0]=3 432 B13R1.202 CC(=O)C(Cl)CC1=CC=CC=C1Cl S567191 [0,1,0,0,0,1|2,0,0]=4 433 B13R1.528 CCC(=O)/C=C/C1=CC=CC=C1O L255661 [0,1,0,0,0,1|1,0,0]=3 434 B13R1.528 CNC(=O)COC1=CC=CC=C1Br CDS005859 [0,1,0,0,0,1|2,0,0]=4 435 B13R1.528 COC(=O)/C=C/C1=C(C=CC=C1)O PH004658 [0,1,0,0,0,1|1,0,0]=3 436 B13R1.528 COC(=O)CCC1=C(C=CC=C1)O CDS015224 [0,1,0,0,0,1|1,0,0]=3 437 B13R1.528 O=C(CCl)NCC1=C(C=CC=C1)Cl TMT00609 [0,1,0,0,0,1|1,0,0]=3 438 B13R1.893 CC(=O)O[Hg]C1=C(C=CC(=C1)I)N S880914 [0,1,0,0,0,1|2,0,0]=4 439 B13R1.51 CCC1=C(C=CC(=C1)Br)NC(=O)C S309591 [0,2,0,0,0,0|1,0,0]=3 440 B13R1.89 COC1=C(C=CC=C1)C(=O)C(=O)O R262439 [0,2,0,0,0,0|2,0,0]=4 441 B13R1.89 COC1=CC=CC=C1C(C)C(=O)O R173843 [0,2,0,0,0,0|2,0,0]=4 442 B13R1.91 CCC(=O)NC1=C(C=CC=C1)OC PH009614 [0,2,0,0,0,0|0,0,0]=2 443 B13R1.91 CCC1=C(C=CC=C1)NC(=O)CCl R744573 [0,2,0,0,0,0|1,0,0]=3 444 B13R1.91 CCC1=C(C=CC=C1)NC(=O)OC S650633 [0,2,0,0,0,0|1,0,0]=3 445 B13R1.91 CCC1=CC=CC=C1NC(=O)NC S652709 [0,2,0,0,0,0|1,0,0]=3 446 B13R1.91 CCC1=CC=CC=C1NC(=S)NC S900567 [0,2,0,0,0,0|1,1,0]=4 447 B13R1.91 CNC(=O)NC1=CC=CC=C1OC S633925 [0,2,0,0,0,0|0,0,0]=2 448 B13R1.91 CNC(=O)OC1=C(C=CC=C1)OC PH009207 [0,2,0,0,0,0|1,0,0]=3 449 B13R1.91 COC(=O)CC1=CC=CC=C1CBr PH003542 [0,2,0,0,0,0|2,0,0]=4 450 B13R1.91 COC(=O)CC1=CC=CC=C1OC PH011317 [0,2,0,0,0,0|1,0,0]=3 451 B13R1.91 COC(=O)NC1=C(C=CC=C1)OC S638536 [0,2,0,0,0,0|0,0,0]=2 452 B13R1.91 COC1=C(C=CC=C1)NC(=O)C#N S898066 [0,2,0,0,0,0|0,0,1]=3 453 B13R1.91 COC1=C(C=CC=C1)NC(=O)CCl S854948 [0,2,0,0,0,0|0,0,0]=2 454 B13R1.91 COC1=C(C=CC=C1)NC(=O)CI R944718 [0,2,0,0,0,0|0,0,0]=2 455 B13R1.91 COC1=CC=CC=C1NC(=O)NO S650277 [0,2,0,0,0,0|1,0,0]=3 456 B13R1.91 N#CC1=C(C=CC=C1)NC(=O)CBr R818070 [0,2,0,0,0,0|1,0,0]=3 457 B13R1.91 N#CC1=C(C=CC=C1)NC(=O)CCl S913812 [0,2,0,0,0,0|1,0,0]=3 458 B13R1.380 CCCC1=C(C=CC=C1)NC(=O)C S752177 [0,2,0,0,0,0|1,0,0]=3 459 B13R1.380 CCOC1=C(C=CC=C1)CC(=O)O CDS003630 [0,2,0,0,0,0|2,0,0]=4 460 B13R1.380 CCOC1=CC=CC=C1NC(=O)C R466654 [0,2,0,0,0,0|0,0,0]=2 461 B13R1.589 CC(=O)CC1=C(C=CC=C1)C(=O)O PH014523 [0,2,0,0,0,0|1,0,0]=3 462 B13R1.589 CC(=O)NC1=C(C=CC=C1)C(=O)C PH011163 [0,2,0,0,0,0|0,0,1]=3 463 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)C S928887 [0,2,0,0,0,0|1,0,1]=4 464 B13R1.589 CC(=O)OC1=CC=CC=C1C(=O)N R239674 [0,2,0,0,0,0|1,0,1]=4 465 B13R1.589 CC(=O)OC1=CC=CC=C1C(=O)O CDS014072 [0,2,0,0,0,0|1,0,0]=3 466 B13R1.589 CC(=O)SC1=C(C=CC=C1)C(=O)O PH009656 [0,2,0,0,0,0|1,0,0]=3 467 B13R1.622 COC1=C(C=CC=C1)NS(=O)(=O)C PH011689 [0,2,0,0,0,0|1,0,0]=3 468 B13R1.2135 CCC1=C(C(=CC=C1)C)NC(=O)C T118540 [0,2,0,0,0,0|1,0,0]=3 469 B13R1.3089 COC1=CC=C(C=C1CC(=O)C)Br PH014737 [0,2,0,0,0,0|1,0,0]=3 470 B13R1.3089 COC1=CC=C(C=C1CC(=O)O)F JRD0888 [0,2,0,0,0,0|2,0,0]=4 471 B13R1.3089 COC1=CC=C(C=C1NC(=O)C)C PH002939 [0,2,0,0,0,0|0,0,0]=2 472 B13R1.3089 COC1=CC=C(C=C1NC(=O)C)Cl R591610 [0,2,0,0,0,0|0,0,0]=2 473 B13R1.3089 CSC1=CC=C(C=C1NC(=O)C)Cl PH009508 [0,2,0,0,0,0|0,1,0]=3 474 B13R1.276 CN(C1=C(C=CC=C1)Cl)S(=O)(=O)C S500267 [0,2,0,0,0,0|2,0,0]=4 475 B13R1.696 COC(=O)C(O)C1=CC=CC=C1Cl PH009461 [0,2,0,0,0,0|2,0,0]=4 476 B13R1.696 COC(=O)[C@H](N)C1=C(C=CC=C1)Cl CDS021821 [0,2,0,0,0,0|2,0,0]=4 477 B13R1.720 CCN(C(=O)N)C1=C(C=CC=C1)C S775290 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.97 COC1=CC(=C(C=C1)O)NC(=O)C S983187 [0,2,0,0,0,0|0,0,0]=2 479 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)C)Br)C S803685 [0,2,0,0,0,0|1,0,0]=3 480 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)C)I)C L168319 [0,2,0,0,0,0|1,0,0]=3 481 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)Cl)C)O S582514 [0,2,0,0,0,0|0,0,0]=2 482 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)Cl)Cl)Cl S558389 [0,2,0,0,0,0|1,0,0]=3 483 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)I)C)C L168114 [0,2,0,0,0,0|1,0,0]=3 484 B13R1.876 CC(=O)NC1=CC(=C(C=C1Br)C)C L168262 [0,2,0,0,0,0|1,0,0]=3 485 B13R1.876 CC(=O)NC1=CC(=C(C=C1C)F)Cl PHB00099 [0,2,0,0,0,0|1,0,0]=3 486 B13R1.876 CC(=O)NC1=CC(=C(C=C1I)C)C L168475 [0,2,0,0,0,0|1,0,0]=3 487 B13R1.876 CC(=O)OC1=C(C=C(C(=C1)Cl)Cl)Cl PH009741 [0,2,0,0,0,0|2,0,0]=4 488 B13R1.876 CC(=O)OC1=CC(=C(C=C1Br)C)Br S310026 [0,2,0,0,0,0|2,0,0]=4 489 B13R1.876 NC(=O)NC1=CC(=C(C=C1Cl)Cl)Cl S764124 [0,2,0,0,0,0|2,0,0]=4 490 B13R1.885 CC(=O)NC1=C(C(=CC=C1C)I)C L168416 [0,2,0,0,0,0|1,0,0]=3 491 B13R1.894 CS(=O)(=O)NC1=C(C=CC(=C1)F)F S916862 [0,2,0,0,0,0|2,0,0]=4 492 B13R1.2872 CC1=C(C=C(C=C1)Cl)NC(=O)CCl S378070 [0,2,0,0,0,0|1,0,0]=3 493 B13R1.2872 CC1=CC(=C(C=C1)C)NC(=O)CCl S746568 [0,2,0,0,0,0|1,0,0]=3 494 B13R1.2872 CC1=CC(=C(C=C1)Cl)NC(=O)CCl S378003 [0,2,0,0,0,0|1,0,0]=3 495 B13R1.2872 CC1=CC=C(C(=C1)NC(=O)CI)C L172669 [0,2,0,0,0,0|1,0,0]=3 496 B13R1.2872 CCC(=O)NC1=C(C=CC(=C1)C)Cl S844055 [0,2,0,0,0,0|1,0,0]=3 497 B13R1.2872 CCC(=O)NC1=C(C=CC(=C1)Cl)C S778729 [0,2,0,0,0,0|1,0,0]=3 498 B13R1.2872 CCC(=O)NC1=C(C=CC(=C1)F)F S694797 [0,2,0,0,0,0|1,0,0]=3 499 B13R1.2872 CNC(=O)NC1=C(C=CC(=C1)C)C S636657 [0,2,0,0,0,0|1,0,0]=3 500 B13R1.2872 CNC(=O)NC1=CC(=CC=C1C)Cl S611026 [0,2,0,0,0,0|1,0,0]=3 501 B13R1.2872 CNC(=O)NC1=CC(=CC=C1Cl)Cl S636495 [0,2,0,0,0,0|1,0,0]=3 502 B13R1.2872 COC(=O)NC1=C(C=CC(=C1)C)C S636231 [0,2,0,0,0,0|1,0,0]=3 503 B13R1.2872 COC(=O)NC1=C(C=CC(=C1)Cl)C S610194 [0,2,0,0,0,0|1,0,0]=3 504 B13R1.2872 COC(=O)NC1=C(C=CC(=C1)Cl)Cl S594113 [0,2,0,0,0,0|1,0,0]=3 505 B13R1.2872 N#CC(=O)NC1=C(C=CC(=C1)Cl)Cl S744328 [0,2,0,0,0,0|1,0,1]=4 506 B13R1.2872 N#CC(=O)NC1=C(C=CC(=C1)F)F S744298 [0,2,0,0,0,0|1,0,1]=4 507 B13R1.2872 O=C(CCl)NC1=C(C=CC(=C1)Br)O R590207 [0,2,0,0,0,0|0,0,0]=2 508 B13R1.2872 O=C(CCl)NC1=C(C=CC(=C1)Cl)O MNO000017 [0,2,0,0,0,0|0,0,0]=2 509 B13R1.2872 O=C(CCl)NC1=C(C=CC(=C1)F)F S916595 [0,2,0,0,0,0|1,0,0]=3 510 B13R1.2872 O=C(CCl)NC1=CC(=CC=C1Cl)Cl S188905 [0,2,0,0,0,0|1,0,0]=3 511 B13R1.2872 O=C(CCl)NC1=CC(=CC=C1Cl)Cl S921394 [0,2,0,0,0,0|1,0,0]=3 512 B13R1.883 CC1=CC(=C(C=C1)NS(=O)(=O)C)C S514004 [0,2,0,0,0,0|2,0,0]=4 513 B13R1.883 CC1=CC(=C(C=C1)NS(=O)(=O)C)Cl T100005 [0,2,0,0,0,0|2,0,0]=4 514 B13R1.883 CS(=O)(=O)NC1=C(C=C(C=C1)Cl)Cl T100188 [0,2,0,0,0,0|2,0,0]=4 515 B13R1.3788 CC1=CC=CC(=C1NS(=O)(=O)C)C TMT00208 [0,2,0,0,0,0|2,0,0]=4 516 B13R1.40 CC1=C(C=CC=C1Cl)NC(=O)CCl S378038 [0,2,0,0,0,0|1,0,0]=3 517 B13R1.40 CC1=CC=CC(=C1C)NC(=O)C#N S744239 [0,2,0,0,0,0|1,0,1]=4 518 B13R1.40 CC1=CC=CC(=C1C)NC(=O)CCl S188840 [0,2,0,0,0,0|1,0,0]=3 519 B13R1.40 CC1=CC=CC(=C1C)NC(=O)CCl S391727 [0,2,0,0,0,0|1,0,0]=3 520 B13R1.40 CC1=CC=CC(=C1C)NC(=O)CI L172642 [0,2,0,0,0,0|1,0,0]=3 521 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)Br)C R131431 [0,2,0,0,0,0|1,0,0]=3 522 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)C)C S890294 [0,2,0,0,0,0|1,0,0]=3 523 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)Cl)C S555355 [0,2,0,0,0,0|1,0,0]=3 524 B13R1.40 CNC(=O)NC1=C(C(=CC=C1)C)C S644021 [0,2,0,0,0,0|1,0,0]=3 525 B13R1.40 CNC(=O)NC1=CC=CC(=C1Cl)Cl S623687 [0,2,0,0,0,0|1,0,0]=3 526 B13R1.40 CNC(=O)OC1=CC=CC(=C1C)C PH009025 [0,2,0,0,0,0|2,0,0]=4 527 B13R1.40 COC(=O)NC1=C(C(=CC=C1)Cl)Cl S638102 [0,2,0,0,0,0|1,0,0]=3 528 B13R1.40 N#CC(=O)NC1=C(C(=CC=C1)Cl)Cl S744301 [0,2,0,0,0,0|1,0,1]=4 529 B13R1.40 O=C(CCl)NC1=CC=CC(=C1Cl)Cl S188891 [0,2,0,0,0,0|1,0,0]=3 530 B13R1.40 O=C(CCl)NC1=CC=CC(=C1Cl)Cl S718033 [0,2,0,0,0,0|1,0,0]=3 531 B13R1.641 C=C(C)CC1=CC=CC(=C1O)OC PH007147 [0,2,0,0,0,0|2,0,0]=4 532 B13R1.3528 CC(=O)NC1=C(C(=C(C=C1)Br)C)C L168130 [0,2,0,0,0,0|1,0,0]=3 533 B13R1.3528 CC(=O)NC1=C(C(=C(C=C1)C)Br)C S931926 [0,2,0,0,0,0|1,0,0]=3 534 B13R1.3528 CC(=O)NC1=C(C(=C(C=C1)Cl)Cl)Cl S558451 [0,2,0,0,0,0|1,0,0]=3 535 B13R1.3528 CC(=O)NC1=CC=C(C(=C1C)C)I L168181 [0,2,0,0,0,0|1,0,0]=3 536 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)C PH011098 [0,2,0,0,0,0|1,0,0]=3 537 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)N CDS004189 [0,2,0,0,0,0|1,0,0]=3 538 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)O S671819 [0,2,0,0,0,0|0,0,0]=2 539 B13R1.2679 CC1=C(C=CC(=C1)Br)NC(=O)CCl S878456 [0,2,0,0,0,0|1,0,0]=3 540 B13R1.2679 CC1=C(C=CC(=C1)Cl)NC(=O)CCl S378097 [0,2,0,0,0,0|1,0,0]=3 541 B13R1.2679 CC1=CC(=C(C=C1)NC(=O)CCl)Br R703680 [0,2,0,0,0,0|1,0,0]=3 542 B13R1.2679 CC1=CC(=C(C=C1)NC(=O)CCl)C R590169 [0,2,0,0,0,0|1,0,0]=3 543 B13R1.2679 CC1=CC(=C(C=C1)NC(=O)CCl)Cl TMT00602 [0,2,0,0,0,0|1,0,0]=3 544 B13R1.2679 CC1=CC(=C(C=C1)NC(=O)CI)C L172650 [0,2,0,0,0,0|1,0,0]=3 545 B13R1.2679 CC1=CC=C(C(=C1)C)NC(=O)NN S924512 [0,2,0,0,0,0|2,0,0]=4 546 B13R1.2679 CCC(=O)NC1=C(C=C(C=C1)C)C S890308 [0,2,0,0,0,0|1,0,0]=3 547 B13R1.2679 CCC(=O)NC1=C(C=C(C=C1)Cl)C S772763 [0,2,0,0,0,0|1,0,0]=3 548 B13R1.2679 CNC(=O)NC1=C(C=C(C=C1)C)C S606782 [0,2,0,0,0,0|1,0,0]=3 549 B13R1.2679 CNC(=O)NC1=CC=C(C=C1C)Cl S638129 [0,2,0,0,0,0|1,0,0]=3 550 B13R1.2679 CNC(=O)NC1=CC=C(C=C1Cl)Cl S613517 [0,2,0,0,0,0|1,0,0]=3 551 B13R1.2679 CNC(=O)OC1=CC=C(C=C1Br)Br S867209 [0,2,0,0,0,0|2,0,0]=4 552 B13R1.2679 CNC(=O)OC1=CC=C(C=C1Cl)Cl S724378 [0,2,0,0,0,0|2,0,0]=4 553 B13R1.2679 CNC(=S)NC1=C(C=C(C=C1)C)C PH011678 [0,2,0,0,0,0|1,1,0]=4 554 B13R1.2679 COC(=O)CC1=C(C=C(C=C1)F)Cl TMT00408 [0,2,0,0,0,0|2,0,0]=4 555 B13R1.2679 COC(=O)NC1=C(C=C(C=C1)C)C S606839 [0,2,0,0,0,0|1,0,0]=3 556 B13R1.2679 COC(=O)NC1=C(C=C(C=C1)Cl)C S625272 [0,2,0,0,0,0|1,0,0]=3 557 B13R1.2679 COC(=O)NC1=C(C=C(C=C1)Cl)Cl S612839 [0,2,0,0,0,0|1,0,0]=3 558 B13R1.2679 COC(=O)OC1=CC=C(C=C1Cl)F PH016916 [0,2,0,0,0,0|2,0,0]=4 559 B13R1.2679 O=C(CCl)NC1=C(C=C(C=C1)Br)F TMT00589 [0,2,0,0,0,0|1,0,0]=3 560 B13R1.2679 O=C(CCl)NC1=C(C=C(C=C1)Cl)Cl S385301 [0,2,0,0,0,0|1,0,0]=3 561 B13R1.2679 O=C(CCl)NC1=CC=C(C=C1Cl)Br S921467 [0,2,0,0,0,0|1,0,0]=3 562 B13R1.2679 O=C(CCl)NC1=CC=C(C=C1O)O PH008556 [0,2,0,0,0,0|0,0,0]=2 563 B13R1.2679 O=C(CCl)OC1=CC=C(C=C1Cl)Cl PH008786 [0,2,0,0,0,0|2,0,0]=4 564 B13R1.2679 O=C(NO)NC1=CC=C(C=C1Cl)Cl S647268 [0,2,0,0,0,0|2,0,0]=4 565 B13R1.2808 CC(=O)NC1=C(C=C(C=C1C)Br)C L168351 [0,2,0,0,0,0|1,0,0]=3 566 B13R1.2808 CC(=O)NC1=C(C=C(C=C1C)C)C T118427 [0,2,0,0,0,0|1,0,0]=3 567 B13R1.2808 CC(=O)NC1=C(C=C(C=C1Cl)Cl)Cl S715417 [0,2,0,0,0,0|1,0,0]=3 568 B13R1.2808 CC(=O)NC1=C(C=C(C=C1Cl)N)Cl S373052 [0,2,0,0,0,0|1,0,0]=3 569 B13R1.2808 CC(=O)OC1=C(C=C(C=C1Br)C)Br PH004317 [0,2,0,0,0,0|2,0,0]=4 570 B13R1.2808 CC(=O)OC1=C(C=C(C=C1C)Br)C OTV000040 [0,2,0,0,0,0|2,0,0]=4 571 B13R1.2808 CC(=O)OC1=C(C=C(C=C1Cl)Cl)Cl T331015 [0,2,0,0,0,0|2,0,0]=4 572 B13R1.2808 CC1=CC(=C(C(=C1)C)NC(=O)N)C S677655 [0,2,0,0,0,0|2,0,0]=4 573 B13R1.470 C/C=C/C(=O)NC1=C(C=CC=C1)F S795585 [0,2,0,0,0,0|1,0,0]=3 574 B13R1.470 CC1=C(C=CC=C1)NC(=O)CC#N PH010218 [0,2,0,0,0,0|1,0,0]=3 575 B13R1.470 CC1=CC=CC=C1NC(=O)/C=N/O S662666 [0,2,0,0,0,0|1,0,1]=4 576 B13R1.470 CCCC(=O)CC1=CC=CC=C1F ASX00046 [0,2,0,0,0,0|2,0,0]=4 577 B13R1.470 CCNC(=O)CC1=CC=CC=C1Br CDS023697 [0,2,0,0,0,0|2,0,0]=4 578 B13R1.470 CCNC(=O)NC1=C(C=CC=C1)C S640336 [0,2,0,0,0,0|1,0,0]=3 579 B13R1.470 CCNC(=O)NC1=CC=CC=C1Cl S595683 [0,2,0,0,0,0|1,0,0]=3 580 B13R1.470 CCNC(=S)NC1=C(C=CC=C1)F S675040 [0,2,0,0,0,0|1,1,0]=4 581 B13R1.470 CCNC(=S)NC1=CC=CC=C1N TMT00573 [0,2,0,0,0,0|1,1,0]=4 582 B13R1.470 CCOC(=O)CC1=C(C=CC=C1)Br PH009974 [0,2,0,0,0,0|2,0,0]=4 583 B13R1.470 CCOC(=O)NC1=C(C=CC=C1)C S644102 [0,2,0,0,0,0|1,0,0]=3 584 B13R1.470 CCOC(=O)NC1=C(C=CC=C1)Cl S595357 [0,2,0,0,0,0|1,0,0]=3 585 B13R1.470 N#CCC(=O)NC1=CC=CC=C1Cl R428094 [0,2,0,0,0,0|1,0,0]=3 586 B13R1.470 O=C(/C=N/O)NC1=CC=CC=C1I S671339 [0,2,0,0,0,0|1,0,1]=4 587 B13R1.4928 CCC(=O)NC1=C(C=CC=C1C)C S791032 [0,2,0,0,0,0|1,0,0]=3 588 B13R1.4928 CNC(=O)NC1=C(C=CC=C1C)C S664529 [0,2,0,0,0,0|1,0,0]=3 589 B13R1.4928 CNC(=O)NC1=C(C=CC=C1Cl)C S647179 [0,2,0,0,0,0|1,0,0]=3 590 B13R1.4928 CNC(=O)NC1=C(C=CC=C1Cl)Cl S665665 [0,2,0,0,0,0|1,0,0]=3 591 B13R1.4928 CNC(=O)OC1=C(C=CC=C1C)C PH009325 [0,2,0,0,0,0|2,0,0]=4 592 B13R1.4928 CNC(=S)NC1=C(C=CC=C1C)C S900559 [0,2,0,0,0,0|1,1,0]=4 593 B13R1.4928 COC(=O)NC1=C(C=CC=C1C)C S667765 [0,2,0,0,0,0|1,0,0]=3 594 B13R1.4928 COC(=O)NC1=C(C=CC=C1C)Cl S667625 [0,2,0,0,0,0|1,0,0]=3 595 B13R1.4928 COC(=O)NC1=C(C=CC=C1Cl)Cl S597287 [0,2,0,0,0,0|1,0,0]=3 596 B13R1.4928 O=C(CCl)NC1=C(C=CC=C1Cl)Cl S188913 [0,2,0,0,0,0|1,0,0]=3 597 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [0,0,1,1,0,0|1,0,1]=4 598 B11R1.172 CC(=O)N/N=C/C1=CC=CO1 S592595 [0,0,1,1,0,0|1,0,0]=3 599 B11R1.172 CC(=O)NCCC1=CC=CO1 EME00428 [0,0,1,1,0,0|0,0,2]=4 600 B11R2.10 CC1=NC2=CC=CN=C2N1 CBR01690 [1,0,0,1,0,0|2,0,0]=4 601 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [1,0,0,1,0,0|1,0,1]=4 602 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [1,0,0,1,0,0|1,0,0]=3 603 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [1,0,0,1,0,0|1,0,0]=3 604 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [1,0,0,1,0,0|0,1,0]=3 605 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [1,0,0,1,0,0|0,1,0]=3 606 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [1,0,0,1,0,0|1,1,0]=4 607 B11R2.20 C1=CC=C2OCCNC2=C1 CDS019685 [1,0,0,1,0,0|0,0,1]=3 608 B11R2.20 C1=CN=C2OCCNC2=C1 ADE001247 [1,0,0,1,0,0|1,0,1]=4 609 B11R2.20 C1=NC=C2OCCNC2=C1 ADE001246 [1,0,0,1,0,0|1,0,1]=4 610 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [1,0,0,1,0,0|2,0,0]=4 611 B11R2.106 OC1=CC=CC2=C1N=CN2 CDS008334 [1,0,0,1,0,0|1,0,1]=4 612 B11R2.106 OC1=CC=CC2=C1N=CO2 CDS009144 [1,0,0,1,0,0|0,0,2]=4 613 B11R2.106 OC1=CC=CC2=C1NC=C2 CDS005198 [1,0,0,1,0,0|0,0,1]=3 614 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,0,0,1,1,0|1,0,1]=4 615 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,0,0,1,1,0|2,0,0]=4 616 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,0,0,1,1,0|1,0,0]=3 617 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,0,0,1,1,0|2,0,0]=4 618 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,0,0,1,1,0|2,0,0]=4 619 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [0,0,0,1,1,0|1,0,1]=4 620 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,0,0,1,1,0|2,0,0]=4 621 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,0,0,1,1,0|2,0,0]=4 622 B13R2.33 CC1COC2=C(C=CC=C2)CN1 CDS024592 [0,0,0,1,0,1|1,0,1]=4 623 B13R2.33 O=C1C=CC2=C(C=CC=C2)CC1 T199605 [0,0,0,1,0,1|2,0,0]=4 624 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 T199613 [0,0,0,1,0,1|2,0,0]=4 625 B13R2.33 O=C1CNC2=CC=CC=C2CN1 CDS003920 [0,0,0,1,0,1|1,0,0]=3 626 B13R2.222 CC1(CNC2=CC=CC=C2O1)C VBP00113 [0,0,0,1,0,1|1,0,1]=4 627 B13R2.435 CC(=O)C1=NC2=C(S1)C=CC=C2 CDS003776 [0,0,0,1,0,1|0,1,1]=4 628 B13R2.435 NC(=O)C1=CC2=C(O1)C=CC=C2 S815276 [0,0,0,1,0,1|2,0,0]=4 629 B13R2.435 O=C(O)C1OC2=C(O1)C=CC=C2 PH010404 [0,0,0,1,0,1|2,0,0]=4 630 B13R2.72 CC(=O)C1=NNC2=CC=CC=C12 CDS005905 [0,1,0,1,0,0|2,0,0]=4 631 B13R2.72 NC(=O)N1CCC2=CC=CC=C12 T325570 [0,1,0,1,0,0|2,0,0]=4 632 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 CDS016073 [0,1,0,1,0,0|2,0,0]=4 633 B13R2.72 O=C(O)C1=NOC2=CC=CC=C12 BBO000747 [0,1,0,1,0,0|2,0,0]=4 634 B13R2.72 O=C(O)C1=NOC2=CC=CC=C12 CDS009986 [0,1,0,1,0,0|2,0,0]=4 635 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 T203084 [0,1,0,1,0,0|2,0,0]=4 636 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T167568 [0,1,0,1,0,0|1,0,0]=3 637 B13R2.163 O=C1CCNC2=CC=CC=C2N1 T324922 [0,1,0,1,0,0|1,0,0]=3 638 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CDS019926 [0,1,0,1,0,0|0,0,1]=3 639 B13R2.328 [NH+]1=C(C2=C(C=CC=C2)N=C1C)O R663514 [0,1,0,1,0,0|1,0,1]=4 640 B13R2.581 COC1=C2SC(=NC2=CC=C1)C PH003522 [0,1,0,1,0,0|2,0,0]=4 641 B13R2.32 CN1C(=O)CSC2=CC=CC=C12 T313084 [0,1,0,1,0,0|0,1,0]=3 642 B13R2.32 O=C1C=CC2=C(N1O)C=CC=C2 PH008969 [0,1,0,1,0,0|1,0,1]=4 643 B13R2.155 CC1=CN=C2OCC(=O)NC2=C1 ADE001276 [0,1,0,1,0,0|1,0,0]=3 644 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 CDS006614 [0,1,0,1,0,0|1,0,0]=3 645 B13R2.155 O=C1CCC2=C(O1)C=C(C=C2)Br IDF00036 [0,1,0,1,0,0|2,0,0]=4 646 B13R2.155 O=C1COC2=CC=C(C=C2N1)O OTV000751 [0,1,0,1,0,0|0,0,0]=2 647 B13R2.155 O=C1COC2=NC=C(C=C2N1)Br ADE001263 [0,1,0,1,0,0|1,0,0]=3 648 B13R2.155 O=C1COC2=NC=C(C=C2N1)I ADE001266 [0,1,0,1,0,0|1,0,0]=3 649 B13R2.155 O=C1CSC2=CC=C(C=C2N1)Br VBP00121 [0,1,0,1,0,0|0,1,0]=3 650 B13R2.3683 CC1=CC2=C(C=C1)NC(=CO2)O PH001606 [0,1,0,1,0,0|0,0,2]=4 651 B13R2.3683 CC1=CC=C2OC(=O)CCC2=C1 IDF00001 [0,1,0,1,0,0|2,0,0]=4 652 B13R2.3683 CC1=CC=C2SC(=O)CCC2=C1 IDF00008 [0,1,0,1,0,0|2,0,0]=4 653 B13R2.3683 CC1=CN=C2NC(=O)CCC2=C1 ADE000851 [0,1,0,1,0,0|2,0,0]=4 654 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)Br CDS006965 [0,1,0,1,0,0|1,0,1]=4 655 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)O CDS004847 [0,1,0,1,0,0|1,0,1]=4 656 B13R2.3683 O=C1CCC2=CC(=CC=C2O1)Br PH010437 [0,1,0,1,0,0|2,0,0]=4 657 B13R2.3683 O=C1CCC2=CC(=CC=C2S1)Cl IDF00017 [0,1,0,1,0,0|2,0,0]=4 658 B13R2.3683 O=C1CCC2=CC(=CN=C2N1)F ADE000853 [0,1,0,1,0,0|2,0,0]=4 659 B13R2.3683 O=C1COC2=CC(=CC=C2N1)O OTV000448 [0,1,0,1,0,0|0,0,0]=2 660 B13R2.3683 O=C1COC2=NC(=CC=C2N1)I ADE001264 [0,1,0,1,0,0|1,0,0]=3 661 B13R2.3683 O=C1CSC2=CC(=CC=C2N1)F JRD0648 [0,1,0,1,0,0|0,1,0]=3 662 B13R2.3683 O=C1NC2=CC=C(C=C2CO1)Br PHB00124 [0,1,0,1,0,0|2,0,0]=4 663 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)Br KOB0160 [0,1,0,1,0,0|1,0,1]=4 664 B13R2.162 O=C1CCC2=C(C1)C(=CC=C2)Br PH014667 [0,1,0,1,0,0|2,0,0]=4 665 B13R2.162 O=C1CCC2=CC=CC(=C2C1)Cl PH014571 [0,1,0,1,0,0|2,0,0]=4 666 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [0,1,0,1,0,0|1,0,0]=3 667 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [0,1,0,1,0,0|1,0,0]=3 668 B13R2.369 CC1CC2=CC=CC=C2OC1=O T217115 [0,1,0,1,0,0|1,0,1]=4 669 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O R227021 [0,1,0,1,0,0|1,0,0]=3 670 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O JRD0784 [0,1,0,1,0,0|0,0,0]=2 671 B13R2.369 CC1SC2=CC=CC=C2NC1=O JRD0961 [0,1,0,1,0,0|0,1,0]=3 672 B13R2.369 N=C1NC2=CC=CC=C2OC1=O T319554 [0,1,0,1,0,0|1,0,0]=3 673 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl PH009408 [0,1,0,1,0,0|1,0,1]=4 674 B13R2.4825 CC1=CC=CC2=C1NC(=C2C)C CDS014194 [0,1,0,1,0,0|2,0,0]=4 675 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O S639125 [0,1,0,1,0,0|1,0,1]=4 676 B13R2.4825 NC1C(=O)NC2=C(C=CC=C12)Cl CBR01431 [0,1,0,1,0,0|1,0,0]=3 677 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,0,0,0,1,0|0,1,1]=4 678 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,0,0,0,1,0|2,0,0]=4 679 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,0,0,0,1,0|2,0,0]=4 680 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [1,0,0,0,1,0|2,0,0]=4 681 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [1,0,0,0,1,0|2,0,0]=4 682 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [1,0,0,0,1,0|2,0,0]=4 683 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [1,0,0,0,1,0|2,0,0]=4 684 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,0,0,0,1,0|1,0,0]=3 685 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,0,0,0,1,0|2,0,0]=4 686 B9R1.13 CC(=O)CC1=CC=CO1 CDS001522 [1,0,0,0,1,0|2,0,0]=4 687 B9R1.13 CC(=O)NC1=CSC=C1 S943886 [1,0,0,0,1,0|1,0,0]=3 688 B9R1.41 CC(=O)C1=CNC=C1C L164399 [0,0,0,0,2,0|2,0,0]=4 689 B13R1.158 CC(=N)N/N=C/C1=CC=CC=C1Cl S761583 [0,0,0,0,0,2|2,0,0]=4 690 B13R1.158 CC(=O)N/N=C/C1=C(C=CC=C1)O S779687 [0,0,0,0,0,2|0,0,0]=2 691 B13R1.158 NC(=O)N/N=C/C1=C(C=CC=C1)O R531561 [0,0,0,0,0,2|1,0,0]=3 692 B13R1.158 NC(=O)N/N=C/C1=CC=CC=C1Cl PH002203 [0,0,0,0,0,2|2,0,0]=4 693 B13R1.158 NC(=S)N/N=C\C1=C(C=CC=C1)O S172316 [0,0,0,0,0,2|1,1,0]=4 694 B13R1.158 O=C(O)CCNC1=C(C=CC=C1)Cl PH011647 [0,0,0,0,0,2|2,0,0]=4