0 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.113 CC(O)C1=C[N+](=CC=C1)[O-] S668419 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [0,0,0,0,0,0|1,1,0]=2 8 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.113 CC1=NC(=CC=C1)C(=S)N S353418 [0,0,0,0,0,0|2,1,0]=3 10 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [0,0,0,0,0,0|0,0,0]=0 15 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.113 NC(=O)C1=NC(=CN=C1)Cl CBR02075 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.113 O=C(O)C1=C[N+](=CC=N1)[O-] PH009754 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [1,0,0,0,0,0|1,1,1]=4 41 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [1,0,0,0,0,0|1,0,2]=4 48 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [1,0,0,0,0,0|1,0,2]=4 49 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [1,0,0,0,0,0|1,0,1]=3 51 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)Cl PH014636 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)F CDS015050 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.21 CC1=C(C=C(C=C1)C(=S)N)F PH015302 [0,1,0,0,0,0|2,1,0]=4 66 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.21 CC1=CC=C(C=C1C)C(=S)N BOG00231 [0,1,0,0,0,0|1,1,0]=3 69 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.21 CN1N=C(C=CC1=O)C(=O)O CBR00032 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.21 NC(=O)C1=CC(=C(N=C1)Cl)Cl EME00445 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.21 NC(=S)C1=CC(=C(C=C1)F)Cl PH016195 [0,1,0,0,0,0|2,1,0]=4 75 B11R1.21 NC(=S)C1=CC=C(C(=C1)F)F BOG00008 [0,1,0,0,0,0|2,1,0]=4 76 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [0,1,0,0,0,0|2,1,0]=4 77 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.23 CNC(=O)C1=CC(=CC=N1)Cl CDS004290 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.23 CNC(=O)C1=CC(=NC=C1)Cl CBR00287 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.23 COC(=O)C1=CN=CC(=C1)C PH016250 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.23 COC(=O)C1=C[N+](=CC=C1)C S385360 [0,1,0,0,0,0|1,0,0]=2 91 B11R1.23 COC(=O)[N+]1=CC(=CC=C1)C R434086 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.23 NNC(=O)C1=CC(=NC=C1)N ADE000173 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.23 NNC(=O)C1=CC=CC(=C1)Cl PH009753 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.23 NNC(=O)C1=CC=NC(=C1)Br CDS004845 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.23 NNC(=O)C1=NC(=CC=C1)I ADE000345 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.23 NNC(=O)C1=NC=CC(=C1)Cl ADE000343 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.23 O=C(NO)C1=CC(=CC=C1)Cl PH010173 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CDS000426 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)Br S17907 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.74 CC1=CC(=CC(=C1)[N+](=O)[O-])N L170186 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.74 CC1=CC(=O)C=C(N1)C(=O)O CBR02144 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.74 CC1=CC(=O)C=C(O1)C(=O)O CBR01516 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.74 N=C(N)C1=CC(=CC(=C1)F)F CDS005160 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)O S360600 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O PH011754 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.155 CC1=CC(=CC=C1)P(=O)(O)O S915750 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.155 CC1=CC=CC(=C1)S(=O)(=O)N CDS012908 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.155 C[N+]1=CC=CC(=C1)S(=O)(=O)[O-] S441112 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.155 NS(=O)(=O)C1=CC(=CC=C1)Cl R436062 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.159 CC1=C(C(=CC=C1)[C@H](C)N)C CDS015873 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.159 CC1=C(C=CC=C1C(=O)O)O PH005167 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.159 CC1=C(C=CC=C1N)C(=O)N TMT00436 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.159 CC1=[N+](C(=CC=C1)C(=O)O)[O-] PH008188 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.159 CN1C=CC=C(C1=O)C(=O)O CDS019650 [0,1,0,0,0,0|1,0,1]=3 120 B11R1.159 NC1=C(C=CC=C1Br)C(=O)O CDS004818 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.159 NC1=C(C=CC=C1F)C(=O)O CDS000074 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.159 NC1=C(C=CC=C1O)C(=O)O CDS000116 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.159 O=C(Cl)C1=CC=CC(=C1Cl)Cl CDS001447 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.159 O=C(O)C1=CC=CC(=C1Br)F CDS002241 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)C ADE000737 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.167 CC1=CC(=C(C=C1)C)C(C)N CBR01396 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [0,1,0,0,0,0|1,0,0]=2 129 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C S380059 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.167 CC1=CC=C(C=C1C(=N)N)F PH015014 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)Cl ADE000743 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)N ADE000740 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.167 CC1=NC(=C(C=C1)F)C(=O)O CDS024247 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)N PH011240 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.167 NC(=O)C1=C(C=CC(=N1)Cl)Cl S47407 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.167 NC(=O)C1=NC(=CC=C1Cl)Br CDS024201 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.167 NC(=S)C1=CC(=CC=C1O)Br OTV000263 [0,1,0,0,0,0|2,1,0]=4 141 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.167 NC1=CC=C(C=C1C(=O)[O-])Br S837253 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.167 O=C(Cl)C1=C(C=CC(=C1)Cl)Cl CDS000617 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)Br R703230 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)I PH001989 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.266 COC1=CC(=NC=C1)C(=O)N ADE000336 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.266 COC1=CC(=NC=C1)C(=O)O ADE000258 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.266 COC1=CC=CC(=C1)C(C)N CDS002381 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.266 COC1=CC=CC(=N1)C(=O)N ADE000351 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.266 COC1=CN=CC(=C1)C(=O)C ADE000464 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.266 CSC1=CC=CC(=C1)[N+](=O)[O-] S549835 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.266 N#CC1=CC(=CC=C1)C(=O)N CDS011401 [0,1,0,0,0,0|1,0,1]=3 156 B11R1.266 NNC1=CC(=CC=C1)C(=O)O CDS001221 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr OTV000175 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.266 O=C(O)C1=CC=CC(=C1)[Hg]Cl S881821 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [0,0,0,0,1,0|3,0,0]=4 160 B9R1.35 CC1=CC(=CS1)C(=O)O SYX00379 [0,0,0,0,1,0|3,0,0]=4 161 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [0,0,0,0,1,0|3,0,0]=4 162 B9R1.35 NC(=O)C1=CC=C(S1)Br CBR00204 [0,0,0,0,1,0|3,0,0]=4 163 B9R1.41 CC(=O)C1=CNC=C1C L164399 [0,0,0,0,1,0|3,0,0]=4 164 B9R1.41 CC1=C(C=CN1)C(=O)O CBR01791 [0,0,0,0,1,0|3,0,0]=4 165 B9R1.41 CC1=C(C=CS1)C(=O)O PH005181 [0,0,0,0,1,0|3,0,0]=4 166 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [0,0,0,0,1,0|3,0,0]=4 167 B9R1.41 CN1C=CC=C1C(=O)Cl PH016725 [0,0,0,0,1,0|1,0,1]=3 168 B9R1.41 CN1C=CN=C1C(=O)Cl PH018704 [0,0,0,0,1,0|2,0,1]=4 169 B9R1.41 CN1C=CN=C1C(=O)[O-] CDS003312 [0,0,0,0,1,0|2,0,1]=4 170 B9R1.41 NC(=O)C1=C(SC=C1)N CDS007582 [0,0,0,0,1,0|3,0,0]=4 171 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,0,0,0,0,1|2,0,0]=3 172 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [0,0,0,0,0,1|3,0,0]=4 173 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,0,0,0,0,1|3,0,0]=4 174 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,0,0,0,0,1|3,0,0]=4 175 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,0,0,0,0,1|3,0,0]=4 176 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [0,0,0,0,0,1|3,0,0]=4 177 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [0,0,0,0,0,1|3,0,0]=4 178 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,0,0,0,0,1|1,0,0]=2 179 B11R1.157 NC(=O)C[N+]1=CC=CC(=C1)F S914169 [0,0,0,0,0,1|3,0,0]=4 180 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [0,0,0,0,0,1|2,0,0]=3 181 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [0,0,0,0,0,1|2,0,0]=3 182 B11R1.157 NC(=S)NC1=CC=CC(=C1)Cl S549614 [0,0,0,0,0,1|2,1,0]=4 183 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [0,0,0,0,0,1|3,0,0]=4 184 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [2,0,0,0,0,0|1,0,1]=4 185 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|2,0,0]=4 186 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|2,0,0]=4 187 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|2,0,0]=4 188 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|1,0,1]=4 189 B8R1.2 NCC1=CN=CC=C1 S763780 [2,0,0,0,0,0|0,0,2]=4 190 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [2,0,0,0,0,0|1,0,1]=4 191 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|2,0,0]=4 192 B8R1.4 CC1=CC(=O)NC=C1 T162655 [2,0,0,0,0,0|2,0,0]=4 193 B8R1.4 CC1=CC=CC(=C1)N R647047 [2,0,0,0,0,0|1,0,0]=3 194 B8R1.4 CC1=CC=CC(=O)N1 S766364 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [2,0,0,0,0,0|0,0,1]=3 196 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.2 CC1=CC=CC(=C1C)NN R436321 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.2 O=CC1=C(C(=CC=C1)O)Br CDS004521 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.2 O=CC1=CC=CC(=C1F)Br CDS017326 [1,1,0,0,0,0|2,0,0]=4 200 B10R1.2 O=CC1=CC=CC(=C1F)O PH015405 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.8 C(=O)C1=CC(=NC(=C1)C)Cl JRD0371 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.8 CC1=CC(=CC(=C1)C=O)F CDS010702 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.8 CC1=CC(=CC(=C1)CN)C CDS003079 [1,1,0,0,0,0|1,0,1]=4 204 B10R1.8 O=CC1=CC(=CC(=C1)Cl)F L300993 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [1,1,0,0,0,0|1,0,0]=3 207 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [1,1,0,0,0,0|1,0,1]=4 208 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [1,1,0,0,0,0|1,0,1]=4 212 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.30 CC1=CN=C(C(=C1)C=O)Cl ADE000744 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.30 CC1=CN=C(C(=C1)C=O)N ADE000734 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.172 C(=O)C1=CC=CC(=C1)[Hg]Cl S881856 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.172 CSC1=CC=CC(=C1)CN CBR01014 [1,1,0,0,0,0|1,0,1]=4 220 B10R1.172 NCC1=CC=CC(=C1)CO CBR00928 [1,1,0,0,0,0|1,0,1]=4 221 B10R1.172 O=CC1=NC(=CC=C1)CO CDS023357 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.176 C(=O)C1=CC(=C(C=C1)Br)Br R277363 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.176 C=CC1=CC=C([N+](=C1)C)C S605190 [1,1,0,0,0,0|1,0,0]=3 224 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [1,1,0,0,0,0|1,0,1]=4 225 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [1,1,0,0,0,0|1,0,1]=4 226 B10R1.176 CC1=C(N=CC(=C1)C=O)Cl KOB0126 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [1,1,0,0,0,0|1,0,1]=4 230 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [1,1,0,0,0,0|0,0,1]=3 237 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,1,0,0,0,0|1,1,0]=4 238 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [1,1,0,0,0,0|1,0,0]=3 245 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [1,1,0,0,0,0|1,1,0]=4 248 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [1,1,0,0,0,0|0,0,1]=3 249 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.59 CC1=CC(=C(O1)C)C(=O)N S825395 [0,1,0,0,1,0|2,0,0]=4 257 B10R1.59 CC1=CC(=C(S1)N)C(=O)N OTV000759 [0,1,0,0,1,0|2,0,0]=4 258 B10R1.194 CN1N=CC(=C1N)C(=O)N S783048 [0,1,0,0,1,0|1,0,1]=4 259 B10R1.39 CCN1C=CC=C1C(=O)C CDS003863 [0,1,0,0,1,0|1,0,1]=4 260 B10R1.149 CC1=C(C=CO1)C(=O)NN CDS005915 [0,1,0,0,1,0|2,0,0]=4 261 B10R1.149 CN1C=CC=C1/C(=N/O)/N CBR01624 [0,1,0,0,1,0|0,0,2]=4 262 B10R1.149 CN1C=CC=C1C(=O)NN CDS015065 [0,1,0,0,1,0|0,0,1]=3 263 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)C S752061 [0,1,0,0,0,1|2,0,0]=4 264 B12R1.19 CC(=O)NC1=CC(=C(C=C1)I)C L168084 [0,1,0,0,0,1|2,0,0]=4 265 B12R1.19 CC(=O)NC1=CC=C(C(=C1)C)N CBR02022 [0,1,0,0,0,1|2,0,0]=4 266 B12R1.19 CC(=O)OC1=CC(=C(C=C1)C)C S240591 [0,1,0,0,0,1|2,0,0]=4 267 B12R1.19 CC1=C(C=C(C=C1)NC(=S)N)C R610909 [0,1,0,0,0,1|1,1,0]=4 268 B12R1.19 CC1=CC=C(C=C1C)NC(=O)N S576050 [0,1,0,0,0,1|1,0,0]=3 269 B12R1.19 CC1=CC=C(C=C1Cl)NC(=O)N S534447 [0,1,0,0,0,1|2,0,0]=4 270 B12R1.50 CC1=CC(=CC=C1)C/C(=N/O)/N BOG00133 [0,1,0,0,0,1|1,0,1]=4 271 B12R1.50 CC1=CC=CC(=C1)NC(=O)CO OTV000598 [0,1,0,0,0,1|2,0,0]=4 272 B12R1.50 CC1=CC=CC(=C1)NC(=O)CS OTV001005 [0,1,0,0,0,1|2,0,0]=4 273 B12R1.50 CNC(=O)NC1=CC(=CC=C1)C S652741 [0,1,0,0,0,1|1,0,0]=3 274 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Br S711292 [0,1,0,0,0,1|2,0,0]=4 275 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Cl S611093 [0,1,0,0,0,1|2,0,0]=4 276 B12R1.50 CNC(=O)OC1=CC=CC(=C1)Cl PH009057 [0,1,0,0,0,1|2,0,0]=4 277 B12R1.50 CNC(=S)NC1=CC(=CC=C1)C PH010051 [0,1,0,0,0,1|1,1,0]=4 278 B12R1.50 COC(=O)NC1=CC(=CC=C1)C S606871 [0,1,0,0,0,1|2,0,0]=4 279 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl R631787 [0,1,0,0,0,1|2,0,0]=4 280 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl S652261 [0,1,0,0,0,1|2,0,0]=4 281 B12R1.101 CC(=O)OC1=CC(=CC(=C1)C)C S34860 [0,1,0,0,0,1|2,0,0]=4 282 B12R1.101 CC1=CC(=CC(=C1)CC(=O)O)C CDS003331 [0,1,0,0,0,1|2,0,0]=4 283 B12R1.101 NC(=O)NC1=CC(=CC(=C1)Cl)Cl S714992 [0,1,0,0,0,1|2,0,0]=4 284 B12R1.119 CC1=CC(=CC=C1)OS(=O)(=O)N PH008063 [0,1,0,0,0,1|2,0,0]=4 285 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)O S571989 [0,1,0,0,0,1|2,0,0]=4 286 B12R1.127 CC1=CC=C(C=C1NC(=O)N)Cl S431354 [0,1,0,0,0,1|2,0,0]=4 287 B12R1.224 CC1=C(C(=CC=C1)NC(=O)N)C S536148 [0,1,0,0,0,1|1,0,0]=3 288 B12R1.224 CC1=C(C(=CC=C1)NC(=S)N)C R238619 [0,1,0,0,0,1|1,1,0]=4 289 B12R1.224 NC(=O)NC1=CC=CC(=C1Cl)Cl S599328 [0,1,0,0,0,1|2,0,0]=4 290 B12R1.438 CC(=O)NC1=CC(=CC=C1)CO EME00277 [0,1,0,0,0,1|2,0,0]=4 291 B12R1.438 CC(=O)NC1=CC=CC(=C1)CN CDS010992 [0,1,0,0,0,1|2,0,0]=4 292 B12R1.438 CCC1=CC(=CC=C1)NC(=O)C PH007204 [0,1,0,0,0,1|2,0,0]=4 293 B12R1.438 COC1=CC(=CC=C1)CC(=O)N PH011680 [0,1,0,0,0,1|1,0,0]=3 294 B12R1.438 COC1=CC(=CC=C1)NC(=O)N S576743 [0,1,0,0,0,1|1,0,0]=3 295 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S312428 [0,1,0,0,0,1|2,0,0]=4 296 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S389684 [0,1,0,0,0,1|2,0,0]=4 297 B12R1.438 COC1=CC=CC(=C1)NC(=S)N R617539 [0,1,0,0,0,1|1,1,0]=4 298 B12R1.438 COC1=CC=CC(=C1)NC(=S)N S223026 [0,1,0,0,0,1|1,1,0]=4 299 B12R1.438 COC1=CC=CC(=C1)OC(=O)C S561207 [0,1,0,0,0,1|2,0,0]=4 300 B12R1.438 CSC1=CC=CC(=C1)NC(=O)C S545570 [0,1,0,0,0,1|2,0,0]=4 301 B12R1.48 CC1=CC(=CC=C1C#N)C(=O)O CDS021252 [0,2,0,0,0,0|2,0,0]=4 302 B12R1.48 COC1=CC=C(C=C1C)C(=O)O CDS002965 [0,2,0,0,0,0|2,0,0]=4 303 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)N L480983 [0,2,0,0,0,0|2,0,0]=4 304 B12R1.56 COC1=C(C=CC(=C1)C(=S)N)O VBP00049 [0,2,0,0,0,0|1,1,0]=4 305 B12R1.56 COC1=CC(=CC=C1Br)C(=O)O CDS005772 [0,2,0,0,0,0|2,0,0]=4 306 B12R1.56 COC1=CC(=CC=C1Cl)C(=O)O ANV00031 [0,2,0,0,0,0|2,0,0]=4 307 B12R1.56 NC(=O)C1=CC=C(C(=C1)C=O)F PH018747 [0,2,0,0,0,0|1,0,1]=4 308 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)C)C S413607 [0,2,0,0,0,0|2,0,0]=4 309 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)O)C S946222 [0,2,0,0,0,0|2,0,0]=4 310 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C PH010635 [0,2,0,0,0,0|2,0,0]=4 311 B12R1.232 CC1=C(C=C(C(=C1)N)C(=O)N)F CDS024448 [0,2,0,0,0,0|2,0,0]=4 312 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)C JRD0550 [0,2,0,0,0,0|2,0,0]=4 313 B12R1.232 CC1=C(N=C(C(=C1)C(=O)N)Cl)C CBR01585 [0,2,0,0,0,0|2,0,0]=4 314 B12R1.232 CC1=CC(=O)C(=CN1C)C(=O)O T139262 [0,2,0,0,0,0|1,0,1]=4 315 B12R1.367 CC1=C(C=C(C=C1)C(=O)CCl)C OTV000344 [0,2,0,0,0,0|2,0,0]=4 316 B12R1.367 CC1=C(C=CC(=C1)C(=O)CCl)O PH016234 [0,2,0,0,0,0|2,0,0]=4 317 B12R1.367 CCC(=O)C1=CC=C(C(=C1)C)C OTV000603 [0,2,0,0,0,0|2,0,0]=4 318 B12R1.367 CNC(=O)C1=CC(=C(C=C1)C)N CBR00280 [0,2,0,0,0,0|2,0,0]=4 319 B12R1.367 CNC(=O)C1=CC=C(C(=C1)Cl)Cl PH007550 [0,2,0,0,0,0|2,0,0]=4 320 B12R1.367 CNC(=O)C1=CC=C(C(=C1)N)Cl PH009943 [0,2,0,0,0,0|2,0,0]=4 321 B12R1.367 COC(=O)C1=CC(=C(C=C1)C)C PH000182 [0,2,0,0,0,0|2,0,0]=4 322 B12R1.367 COC(=O)C1=CN(C(=O)C=C1)C S954683 [0,2,0,0,0,0|1,0,1]=4 323 B12R1.367 NNC(=O)C1=CC=C(C(=C1)Cl)Cl PH005173 [0,2,0,0,0,0|2,0,0]=4 324 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O PH005131 [0,2,0,0,0,0|2,0,0]=4 325 B12R1.893 CC1=C(C(=CC=C1O)C(=O)O)O S947814 [0,2,0,0,0,0|2,0,0]=4 326 B12R1.893 CC1=C(C=CC(=C1N)C(=O)O)Cl T276375 [0,2,0,0,0,0|2,0,0]=4 327 B12R1.893 CC1=CC=C(C(=O)N1C)C(=O)O CDS002379 [0,2,0,0,0,0|1,0,1]=4 328 B12R1.1005 CC1=C(C(=CC(=C1)C(=O)O)N)Cl PH015483 [0,2,0,0,0,0|2,0,0]=4 329 B12R1.1005 CC1=CC(=CC(=C1Br)C)C(=O)N CDS019647 [0,2,0,0,0,0|1,0,0]=3 330 B12R1.1005 CC1=CC(=CC(=C1O)C)C(=O)O PH000053 [0,2,0,0,0,0|2,0,0]=4 331 B12R1.17 CC1=CC(=CC=C1)C(=O)CC#N JRD0743 [0,2,0,0,0,0|1,0,1]=4 332 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O EME00412 [0,2,0,0,0,0|2,0,0]=4 333 B12R1.17 CCNC(=O)C1=CC=CC(=C1)N CBR00239 [0,2,0,0,0,0|2,0,0]=4 334 B12R1.17 CCOC(=O)C1=C[N+](=CC=C1)C R175366 [0,2,0,0,0,0|1,0,0]=3 335 B12R1.24 CCC(=O)C1=CC=CC(=C1O)C PH003571 [0,2,0,0,0,0|2,0,0]=4 336 B12R1.24 COC(=O)C1=C(C(=CC=C1)C)N CDS022209 [0,2,0,0,0,0|2,0,0]=4 337 B12R1.24 COC(=O)C1=CC=CC(=C1O)C S378143 [0,2,0,0,0,0|2,0,0]=4 338 B12R1.354 CC1=CC(=C(C=C1)C)C(=O)CBr PH015659 [0,2,0,0,0,0|2,0,0]=4 339 B12R1.354 CC1=CC=C(C(=C1)C(=O)CCl)C OTV000347 [0,2,0,0,0,0|2,0,0]=4 340 B12R1.354 CNC(=O)C1=CC(=CC=C1N)Cl PH011224 [0,2,0,0,0,0|2,0,0]=4 341 B12R1.354 COC(=O)C1=C(C=CC(=C1)C)N PH006897 [0,2,0,0,0,0|2,0,0]=4 342 B12R1.354 NNC(=O)C1=CC(=CC=C1O)Br PH010958 [0,2,0,0,0,0|2,0,0]=4 343 B12R1.354 NNC(=O)C1=CC(=CC=C1O)Cl R299804 [0,2,0,0,0,0|2,0,0]=4 344 B12R1.358 NNC(=O)C1=CC(=CC(=C1)O)O R257842 [0,2,0,0,0,0|2,0,0]=4 345 B12R1.435 CNC(=O)C1=CC(=CC=C1)C#N EME00411 [0,2,0,0,0,0|1,0,1]=4 346 B12R1.435 COC(=O)C1=CC(=CC=C1)CN CDS003045 [0,2,0,0,0,0|2,0,0]=4 347 B12R1.435 COC(=O)C1=CC=CC(=C1)CCl S881988 [0,2,0,0,0,0|2,0,0]=4 348 B12R1.435 COC1=CC(=NC=C1)C(=O)NN ADE000342 [0,2,0,0,0,0|2,0,0]=4 349 B12R1.435 COC1=CC=CC(=C1)C(=O)C=O PH017741 [0,2,0,0,0,0|2,0,0]=4 350 B12R1.435 COC1=CC=CC(=N1)C(=O)NN ADE000352 [0,2,0,0,0,0|2,0,0]=4 351 B12R1.511 CC(=O)C1=CC(=CC(=C1O)C)C IDF00002 [0,2,0,0,0,0|2,0,0]=4 352 B12R1.511 CC1=CC(=C(C(=C1)C(=O)O)O)Br CDS023505 [0,2,0,0,0,0|2,0,0]=4 353 B12R1.511 CC1=CC(=C(C(=C1)C(=O)O)O)C R179574 [0,2,0,0,0,0|2,0,0]=4 354 B12R1.511 CC1=CC(=C(C(=C1)Cl)O)C(=O)O PH008020 [0,2,0,0,0,0|2,0,0]=4 355 B12R1.511 NC(=O)C1=CC(=CC(=C1O)Br)Br R161454 [0,2,0,0,0,0|2,0,0]=4 356 B12R1.128 CC1=CC=C(C(=C1)S(=O)(=O)N)C S505501 [0,2,0,0,0,0|2,0,0]=4 357 B12R1.440 COC1=C(C(=CC=C1)C(=O)O)C CDS014094 [0,2,0,0,0,0|2,0,0]=4 358 B12R1.894 CC(=O)C1=C(C=CC(=C1O)C)O S81532 [0,2,0,0,0,0|2,0,0]=4 359 B12R1.894 CC1=C(C(=C(C=C1)Cl)C(=O)O)Cl S656658 [0,2,0,0,0,0|2,0,0]=4 360 B12R1.894 CC1=C(C(=C(C=C1)N)C(=O)O)Br TMT00142 [0,2,0,0,0,0|2,0,0]=4 361 B12R1.894 CC1=CC=C(C(=C1I)C(=O)O)I L511919 [0,2,0,0,0,0|2,0,0]=4 362 B12R1.894 NC(=O)C1=C(C(=CC=C1F)F)F T340596 [0,2,0,0,0,0|2,0,0]=4 363 B12R1.46 CC1=CC(=C(C=C1)N=N)C(=O)O S443069 [0,2,0,0,0,0|2,0,0]=4 364 B12R1.46 CNC1=CC=C(C=C1C(=O)N)Cl S681199 [0,2,0,0,0,0|2,0,0]=4 365 B12R1.46 COC1=CC=C(C=C1C(=O)C)C S883360 [0,2,0,0,0,0|2,0,0]=4 366 B12R1.46 COC1=CC=C(C=C1C(=O)N)Cl L255351 [0,2,0,0,0,0|2,0,0]=4 367 B12R1.46 CSC1=C(C=C(C=C1)C)C(=O)C PH014774 [0,2,0,0,0,0|2,0,0]=4 368 B12R1.453 COC1=CC=C(C(=C1)C(=O)N)N BBO000414 [0,2,0,0,0,0|1,0,0]=3 369 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)Cl ANV00090 [0,2,0,0,0,0|2,0,0]=4 370 B12R1.453 CSC1=CC(=C(C=C1)Cl)C(=O)N EME00443 [0,2,0,0,0,0|1,0,0]=3 371 B12R1.453 CSC1=CC=C(C(=C1)C(=O)O)O S449385 [0,2,0,0,0,0|2,0,0]=4 372 B12R1.258 CC(=O)C1=CC=CC(=C1)N(C)C CDS000329 [0,2,0,0,0,0|2,0,0]=4 373 B12R1.258 NC(=O)C1=CC=CC(=C1)C(=O)O CDS011144 [0,2,0,0,0,0|1,0,1]=4 374 B12R1.279 CCC[N+]1=CC=CC(=C1)C(=O)N S906239 [0,2,0,0,0,0|0,0,0]=2 375 B12R1.279 CCOC1=CC(=CC=C1)C(=S)N BOG00040 [0,2,0,0,0,0|1,1,0]=4 376 B12R1.279 COCC1=CC=CC(=C1)C(=O)O CDS011694 [0,2,0,0,0,0|2,0,0]=4 377 B12R1.279 N#CC[N+]1=CC=CC(=C1)C(=O)N S914274 [0,2,0,0,0,0|0,0,0]=2 378 B12R1.279 NC(=O)C1=C[N+](=CC=C1)CCO S914436 [0,2,0,0,0,0|0,0,0]=2 379 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|2,0,0]=4 380 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 OTV000480 [0,0,0,1,0,1|2,0,0]=4 381 B12R2.202 O=C1CC2=C(N1)C(=CC=C2)I PH016779 [0,0,0,1,0,1|2,0,0]=4 382 B12R2.202 O=C1NC2=C(S1)C=CC=C2Cl R587559 [0,0,0,1,0,1|2,0,0]=4 383 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)N R587281 [0,0,0,1,0,1|2,0,0]=4 384 B12R2.606 CC1=CC=C2NC(=NC2=C1)N CDS005473 [0,0,0,1,0,1|2,0,0]=4 385 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [0,0,0,1,0,1|2,0,0]=4 386 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [0,0,0,1,0,1|2,0,0]=4 387 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [0,0,0,1,0,1|2,0,0]=4 388 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [0,0,0,1,0,1|2,0,0]=4 389 B12R2.606 O=C1NC2=C(S1)C=C(C=C2)Br R587540 [0,0,0,1,0,1|2,0,0]=4 390 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [0,0,0,1,0,1|2,0,0]=4 391 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 CBR02176 [0,1,0,1,0,0|1,0,0]=3 392 B12R2.132 O=C1NSC2=CC=C(C=C12)Cl CDS020499 [0,1,0,1,0,0|2,0,0]=4 393 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [1,0,0,0,1,0|2,0,0]=4 394 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [1,0,0,0,1,0|1,0,1]=4 395 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [1,0,0,0,1,0|2,0,0]=4 396 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [1,0,0,0,1,0|0,0,1]=3 397 B8R1.7 NC(=O)C1=CN=CS1 CDS020516 [1,0,0,0,1,0|1,0,1]=4 398 B8R1.7 NC(=O)C1=CSC=N1 CDS006757 [1,0,0,0,1,0|1,0,1]=4 399 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [1,0,0,0,1,0|0,1,1]=4 400 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [1,0,0,0,1,0|1,1,0]=4 401 B8R1.7 NC(=S)C1=CC=CS1 CDS014286 [1,0,0,0,1,0|1,1,0]=4 402 B8R1.7 NC(=S)C1=CSC=C1 CDS001408 [1,0,0,0,1,0|1,1,0]=4 403 B8R1.7 O=C(O)C1=CC=CO1 S927228 [1,0,0,0,1,0|2,0,0]=4 404 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,0,0,0,0,1|1,0,1]=4 405 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,0,0,0,0,1|2,0,0]=4 406 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,0,0,0,0,1|2,0,0]=4 407 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [1,0,0,0,0,1|2,0,0]=4 408 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [1,0,0,0,0,1|1,0,1]=4 409 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [0,0,0,0,0,2|2,0,0]=4 410 B12R1.226 CC1=C[N+](=CC=C1)CCC(=O)N S343293 [0,0,0,0,0,2|2,0,0]=4