0 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)Br ADE000790 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)C ADE000737 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)F ADE000775 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.167 CC(=O)C1=CC(=CN=C1F)Br PHB00150 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.167 CC(C)C1=CC(=CC=C1O)O S841269 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.167 CC(O)C1=C(C=CC(=C1)F)O CDS021193 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.167 CC(O)C1=CC(=CC=C1Cl)Cl S546992 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.167 CC1=CC=C(C(=C1)B(O)O)Cl CDS006317 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C S380059 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.167 CC1=CC=C(C=C1C(=N)N)F PH015014 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.167 CC1=CC=C(N=C1C(=O)O)Cl ADE001383 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)Cl ADE000743 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)N ADE000740 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.167 CC1=CN=C(N=C1C(=O)O)Cl CDS021233 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.167 CC1=NC(=C(C=C1)F)C(=O)O CDS024247 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.167 CC1=NNC(=O)C(=C1)C(=O)O CDS005993 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)N PH011240 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.167 NC(=O)C1=C(C=CC(=N1)Cl)Cl S47407 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.167 NC(=O)C1=NC(=CC=C1Cl)Br CDS024201 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.167 NC(=S)C1=CC(=CC=C1O)Br OTV000263 [0,0,0,0,0,0|2,1,0]=3 25 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [0,0,0,0,0,0|2,0,0]=2 26 B11R1.167 NC1=C(C=C(C=N1)I)C(=O)O CVT00041 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [0,0,0,0,0,0|1,0,0]=1 28 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [0,0,0,0,0,0|1,0,0]=1 29 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [0,0,0,0,0,0|1,0,0]=1 30 B11R1.167 NC1=CC=C(C=C1C(=O)[O-])Br S837253 [0,0,0,0,0,0|2,0,1]=3 31 B11R1.167 NC1=CN=C(C=C1C(=O)O)Cl CDS012312 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.167 NC1=CN=C(C=C1C(=O)O)F PH016197 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.167 NC1=NC=C(N=C1C(=O)O)Br CDS020025 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.167 O=C(Cl)C1=C(C=CC(=C1)Cl)Cl CDS000617 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)Br R703230 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)I PH001989 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.167 O=C(O)C1=CC(=CN=C1Br)Cl CDS023033 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.167 O=C(O)C1=CC(=CN=C1Cl)Cl ADE000187 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.167 O=C(O)C1=CC(=CN=C1O)Br CDS003972 [0,0,0,0,0,0|2,0,0]=2 40 B11R1.167 O=C(O)C1=CC(=NC=C1F)Cl CDS022137 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Br CDS023919 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.167 OB(O)C1=CC(=CC=C1Br)F BML00168 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.167 OB(O)C1=CC(=CC=C1F)O CDS023639 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.30 C(=O)C1=CC(=NC=C1Br)Br SYX00333 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.30 CC1=C(N=C(C=C1)Cl)C=O ADE001377 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.30 CC1=CN=C(C(=C1)C=O)Cl ADE000744 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.30 CC1=CN=C(C(=C1)C=O)N ADE000734 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.30 N#CC1=C(C=CC(=C1)N)O CBR02119 [1,0,0,0,0,0|1,0,1]=3 59 B10R1.30 N#CC1=CC(=CC=C1Cl)N CDS017173 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.30 NC1=NC=C(C=C1C=O)F ADE000398 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.30 NC1=NC=C(C=C1C=O)I ADE000277 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.30 O=CC1=C(C=CC(=N1)Br)F ANV00087 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.30 O=CC1=CC(=CN=C1Cl)Br ADE000401 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.30 O=CC1=CC(=CN=C1Cl)Cl ADE000188 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.30 O=CC1=CC(=CN=C1Cl)F ADE000400 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [1,0,0,0,0,0|1,0,1]=3 72 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [1,0,0,0,0,0|2,1,0]=4 75 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.61 CC1=NC=NC=C1C(=O)O CBR00009 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.61 NC1=NC=NC=C1C(=O)O CDS007566 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,0,0,0,0,0|0,0,0]=1 87 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,0,0,0,0,0|0,0,0]=1 88 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [1,0,0,0,0,0|1,0,0]=2 90 B10R1.61 O=C(O)C1=NC=CN=C1Cl PH009862 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [1,0,0,0,0,0|0,0,1]=2 92 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [1,0,0,0,0,0|1,0,2]=4 93 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [1,0,0,0,0,0|1,1,1]=4 94 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [1,0,0,0,0,0|1,0,2]=4 95 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [1,0,0,0,0,0|1,0,1]=3 96 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [1,0,0,0,0,0|0,2,0]=3 97 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.113 CC(O)C1=CC=CC(=N1)N PH018818 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [1,0,0,0,0,0|2,1,0]=4 103 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [1,0,0,0,0,0|2,0,0]=3 112 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.113 NC1=CC(=CC=C1)C(F)F MNO000180 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [1,0,0,0,0,0|1,0,1]=3 118 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [1,0,0,0,0,0|1,0,0]=2 119 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [1,0,0,0,0,0|1,0,0]=2 120 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [1,0,0,0,0,0|1,0,0]=2 121 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.113 O=C(O)C1=CC(=NC=N1)O S362735 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.113 O=C(O)C1=C[N+](=CC=N1)[O-] PH009754 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [1,0,0,0,0,0|2,0,1]=4 131 B10R1.113 O=C1C=C(C=NN1)C(=O)O CDS022708 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [1,0,0,0,0,0|2,0,0]=3 133 B12R1.46 CC1=CC(=C(C=C1)N=N)C(=O)O S443069 [0,1,0,0,0,0|2,0,0]=3 134 B12R1.46 CNC1=CC=C(C=C1C(=O)N)Cl S681199 [0,1,0,0,0,0|3,0,0]=4 135 B12R1.46 COC1=C(C=C(C=C1)Br)C(=O)Cl R703273 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.46 COC1=C(C=C(C=C1)Cl)C(C)O PH015455 [0,1,0,0,0,0|2,0,1]=4 137 B12R1.46 COC1=C(C=C(C=C1)O)C(=O)C IDF00003 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.46 COC1=CC=C(C=C1C(=O)C)C S883360 [0,1,0,0,0,0|2,0,0]=3 139 B12R1.46 COC1=CC=C(C=C1C(=O)N)Cl L255351 [0,1,0,0,0,0|2,0,0]=3 140 B12R1.46 COC1=CC=C(C=C1[N+](=O)[O-])Cl S426830 [0,1,0,0,0,0|2,0,1]=4 141 B12R1.46 COC1=NC=C(C=C1C(=O)C)C ADE000759 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.46 COC1=NC=C(C=C1C(=O)O)C ADE000767 [0,1,0,0,0,0|2,0,0]=3 143 B12R1.46 COC1=NC=C(C=C1C(=O)O)Cl ADE000181 [0,1,0,0,0,0|2,0,0]=3 144 B12R1.46 COC1=NC=C(C=C1C(=O)O)F CDS015927 [0,1,0,0,0,0|2,0,0]=3 145 B12R1.46 CSC1=C(C=C(C=C1)C)C(=O)C PH014774 [0,1,0,0,0,0|2,1,0]=4 146 B12R1.46 CSC1=CC=C(C=C1C(=O)O)Br L255521 [0,1,0,0,0,0|1,1,0]=3 147 B12R1.46 CSC1=CC=C(C=C1C(=O)O)Cl L255505 [0,1,0,0,0,0|1,1,0]=3 148 B12R1.46 O=CC1=CC=C(C=C1C(=O)O)Br CDS013504 [0,1,0,0,0,0|1,0,1]=3 149 B12R1.46 O=CC1=CC=C(C=C1C(=O)O)Cl CDS009784 [0,1,0,0,0,0|1,0,1]=3 150 B12R1.128 CC1=CC=C(C(=C1)P(=O)(O)O)C S915947 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.128 CC1=CC=C(C(=C1)P(=O)(O)O)Cl S311626 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.128 CC1=CC=C(C(=C1)S(=O)(=O)O)C S563609 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.128 NC1=CC=C(C(=C1)S(=O)(=O)O)Cl S419346 [0,1,0,0,0,0|2,0,0]=3 154 B12R1.128 NC1=CC=C(C(=C1)S(=O)(=O)O)O S357820 [0,1,0,0,0,0|1,0,0]=2 155 B12R1.128 O=S(=O)(O)C1=C(C=CC(=C1)F)F PH014475 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.128 O=S(=O)(O)C1=CC(=CC=C1F)F PH018138 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.128 O=S(=O)([O-])C1=CC(=CC=C1O)O S430366 [0,1,0,0,0,0|2,0,1]=4 158 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)C)C S413607 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)O)C S946222 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.232 CC(=O)C1=CC(=C(C=C1C)C)N S764752 [0,1,0,0,0,0|2,0,0]=3 161 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C PH010635 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O R151963 [0,1,0,0,0,0|2,0,0]=3 163 B12R1.232 CC(=O)C1=CC(=C(C=C1O)Cl)Cl PH000500 [0,1,0,0,0,0|2,0,0]=3 164 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)Cl IDF00011 [0,1,0,0,0,0|2,0,0]=3 165 B12R1.232 CC1=C(C=C(C(=C1)N)C(=O)N)F CDS024448 [0,1,0,0,0,0|3,0,0]=4 166 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)C JRD0550 [0,1,0,0,0,0|1,0,0]=2 167 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)Cl JRD0551 [0,1,0,0,0,0|1,0,0]=2 168 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N R397687 [0,1,0,0,0,0|2,0,1]=4 169 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N S565636 [0,1,0,0,0,0|2,0,1]=4 170 B12R1.232 CC1=C(NC(=O)C(=C1)C(=O)O)C CBR00208 [0,1,0,0,0,0|2,0,1]=4 171 B12R1.232 CC1=CC(=C(C=C1C(=O)O)F)F CDS013819 [0,1,0,0,0,0|2,0,0]=3 172 B12R1.232 CC1=CC(=C(C=C1I)C(=O)O)I T304727 [0,1,0,0,0,0|2,0,0]=3 173 B12R1.232 CC1=CC(=C(C=C1N)[N+](=O)[O-])C S740365 [0,1,0,0,0,0|2,0,1]=4 174 B12R1.232 CC1=CC(=C(C=C1[N+](=O)[O-])N)Br MNO000160 [0,1,0,0,0,0|2,0,1]=4 175 B12R1.232 CC1=CC(=O)C(=CN1C)C(=O)O T139262 [0,1,0,0,0,0|2,0,1]=4 176 B12R1.232 NC1=C(C=C(C(=C1)Cl)[N+](=O)[O-])N PH011132 [0,1,0,0,0,0|2,0,1]=4 177 B12R1.232 NC1=CC(=C(C=C1Cl)C(=O)O)O PH008049 [0,1,0,0,0,0|1,0,0]=2 178 B12R1.232 NC1=CC(=C(C=C1Cl)Cl)[N+](=O)[O-] S908584 [0,1,0,0,0,0|2,0,1]=4 179 B12R1.232 O=C(O)C1=C(C=C(C(=C1)I)F)F MNO000199 [0,1,0,0,0,0|2,0,0]=3 180 B12R1.232 O=C(O)C1=CC(=C(C=C1F)F)Cl CDS003243 [0,1,0,0,0,0|2,0,0]=3 181 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O L168718 [0,1,0,0,0,0|1,0,0]=2 182 B12R1.354 CC1=CC(=C(C=C1)C)C(=O)CBr PH015659 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.354 CC1=CC=C(C(=C1)C(=O)CCl)C OTV000347 [0,1,0,0,0,0|3,0,0]=4 184 B12R1.354 CCC(=O)C1=C(C=CC(=C1)Cl)O PH011673 [0,1,0,0,0,0|2,0,0]=3 185 B12R1.354 CCC(=O)C1=C(C=CC(=C1)O)O S372315 [0,1,0,0,0,0|2,0,0]=3 186 B12R1.354 CCC(=O)C1=CC(=CC=C1Cl)Cl OTV000286 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.354 CNC(=O)C1=CC(=CC=C1N)Cl PH011224 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.354 COC(=O)C1=C(C=CC(=C1)C)N PH006897 [0,1,0,0,0,0|2,0,0]=3 189 B12R1.354 COC(=O)C1=C(C=CC(=C1)N)C PH011114 [0,1,0,0,0,0|1,0,0]=2 190 B12R1.354 COC(=O)C1=C(C=CC(=C1)N)Cl OTV000318 [0,1,0,0,0,0|1,0,0]=2 191 B12R1.354 COC(=O)C1=C(C=CC(=C1)O)I PH016098 [0,1,0,0,0,0|2,0,0]=3 192 B12R1.354 COC(=O)C1=C(N=CC(=C1)C)N CDS022511 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.354 COC(=O)C1=CC(=CC=C1F)N JRD0943 [0,1,0,0,0,0|1,0,0]=2 194 B12R1.354 COC(=O)C1=CC(=CC=C1O)I S352977 [0,1,0,0,0,0|1,0,0]=2 195 B12R1.354 COC(=O)C1=CC(=CN=C1Cl)C ADE000763 [0,1,0,0,0,0|3,0,0]=4 196 B12R1.354 COC(=O)C1=CC(=CN=C1Cl)F ADE000416 [0,1,0,0,0,0|3,0,0]=4 197 B12R1.354 COC(=O)C1=CC(=NC=C1N)Br PHB00209 [0,1,0,0,0,0|3,0,0]=4 198 B12R1.354 N/N=C(\O)/C1=C(C=CC(=C1)F)O JRD1301 [0,1,0,0,0,0|2,0,0]=3 199 B12R1.354 NC1=C(C=C(C=C1)Cl)/C(=N/O)/N PH015515 [0,1,0,0,0,0|3,0,0]=4 200 B12R1.354 NNC(=O)C1=CC(=CC=C1O)Br PH010958 [0,1,0,0,0,0|2,0,0]=3 201 B12R1.354 NNC(=O)C1=CC(=CC=C1O)Cl R299804 [0,1,0,0,0,0|2,0,0]=3 202 B12R1.354 O=C(CBr)C1=C(C=CC(=C1)F)F PH014673 [0,1,0,0,0,0|3,0,0]=4 203 B12R1.453 COC1=CC=C(C(=C1)C(=O)N)N BBO000414 [0,1,0,0,0,0|3,0,0]=4 204 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)Cl ANV00090 [0,1,0,0,0,0|2,0,0]=3 205 B12R1.453 CSC1=CC(=C(C=C1)Cl)C(=O)N EME00443 [0,1,0,0,0,0|3,0,0]=4 206 B12R1.453 CSC1=CC=C(C(=C1)C(=O)O)O S449385 [0,1,0,0,0,0|1,0,0]=2 207 B12R1.511 CC(=O)C1=CC(=CC(=C1O)C)C IDF00002 [0,1,0,0,0,0|2,0,0]=3 208 B12R1.511 CC1=CC(=C(C(=C1)Br)O)[N+](=O)[O-] PH011662 [0,1,0,0,0,0|2,0,1]=4 209 B12R1.511 CC1=CC(=C(C(=C1)C(=O)O)O)Br CDS023505 [0,1,0,0,0,0|1,0,0]=2 210 B12R1.511 CC1=CC(=C(C(=C1)C(=O)O)O)C R179574 [0,1,0,0,0,0|1,0,0]=2 211 B12R1.511 CC1=CC(=C(C(=C1)Cl)O)C(=O)O PH008020 [0,1,0,0,0,0|1,0,0]=2 212 B12R1.511 CC1=CC(=C(C(=C1)F)O)[N+](=O)[O-] PH009203 [0,1,0,0,0,0|2,0,1]=4 213 B12R1.511 CC1=CC(=C(C(=C1)I)O)[N+](=O)[O-] PH011658 [0,1,0,0,0,0|2,0,1]=4 214 B12R1.511 NC(=O)C1=CC(=CC(=C1O)Br)Br R161454 [0,1,0,0,0,0|2,0,0]=3 215 B12R1.511 NC1=C(C(=CC(=C1)Cl)C(=O)[O-])Cl S434795 [0,1,0,0,0,0|2,0,1]=4 216 B12R1.511 O=C(O)C1=CC(=CC(=C1F)F)F CDS002688 [0,1,0,0,0,0|2,0,0]=3 217 B12R1.511 O=C(O)C1=CC(=CC(=C1O)F)F CDS022226 [0,1,0,0,0,0|1,0,0]=2 218 B12R1.511 O=[N+]([O-])C1=C(C(=CC(=C1)Br)Br)O S415758 [0,1,0,0,0,0|2,0,1]=4 219 B12R1.894 CC(=O)C1=C(C(=CC=C1F)Cl)F PH015556 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.894 CC(=O)C1=C(C=CC(=C1O)C)O S81532 [0,1,0,0,0,0|2,0,0]=3 221 B12R1.894 CC1=C(C(=C(C=C1)Cl)C(=O)O)Cl S656658 [0,1,0,0,0,0|2,0,0]=3 222 B12R1.894 CC1=C(C(=C(C=C1)Cl)O)C(=O)O PH008017 [0,1,0,0,0,0|2,0,0]=3 223 B12R1.894 CC1=C(C(=C(C=C1)N)C(=O)O)Br TMT00142 [0,1,0,0,0,0|2,0,0]=3 224 B12R1.894 CC1=C(C=CC(=C1[N+](=O)[O-])O)Br PH008038 [0,1,0,0,0,0|2,0,1]=4 225 B12R1.894 CC1=CC=C(C(=C1I)C(=O)O)I L511919 [0,1,0,0,0,0|2,0,0]=3 226 B12R1.894 NC(=O)C1=C(C(=CC=C1F)F)F T340596 [0,1,0,0,0,0|3,0,0]=4 227 B12R1.894 NC1=C(C(=CC=C1Cl)Cl)C(=O)O S17397 [0,1,0,0,0,0|2,0,0]=3 228 B12R1.894 O=C(O)C1=C(C(=CC=C1Cl)Cl)Cl R169676 [0,1,0,0,0,0|2,0,0]=3 229 B12R1.894 O=C(O)C1=C(C=CC(=C1O)Br)O PH014538 [0,1,0,0,0,0|1,0,0]=2 230 B12R1.894 O=C(O)C1=C(C=CC(=C1O)F)F CDS022676 [0,1,0,0,0,0|2,0,0]=3 231 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 CBR02176 [0,0,0,1,0,0|3,0,0]=4 232 B12R2.132 CC1=NOC2=CC=C(C=C12)Br CDS009348 [0,0,0,1,0,0|3,0,0]=4 233 B12R2.132 NC1=CC2=C(C=C1)COC2=O S745197 [0,0,0,1,0,0|1,0,0]=2 234 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 CDS003996 [0,0,0,1,0,0|2,0,0]=3 235 B12R2.132 O=C1NSC2=CC=C(C=C12)Cl CDS020499 [0,0,0,1,0,0|2,1,0]=4 236 B12R2.132 OC1=NNC2=C1C=C(C=C2)Br CDS022568 [0,0,0,1,0,0|3,0,0]=4 237 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PH010596 [0,0,0,0,1,0|3,0,0]=4 238 B10R1.59 CC1=CC(=C(O1)C(=O)O)C PH014459 [0,0,0,0,1,0|3,0,0]=4 239 B10R1.59 CC1=CC(=C(S1)N)C(=O)O CBR00110 [0,0,0,0,1,0|3,0,0]=4 240 B10R1.59 O=C(O)C1=C(C=C(O1)Br)Br S813745 [0,0,0,0,1,0|3,0,0]=4 241 B10R1.192 CC1=CNC(=C1C(=O)O)C CDS005420 [0,0,0,0,1,0|3,0,0]=4 242 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)O S571989 [0,0,0,0,0,1|2,0,0]=3 243 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)C S344311 [0,0,0,0,0,1|3,0,0]=4 244 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)Cl S390119 [0,0,0,0,0,1|3,0,0]=4 245 B12R1.127 CC(=O)NC1=C(C=CC(=C1)F)C PH011772 [0,0,0,0,0,1|3,0,0]=4 246 B12R1.127 CC(=O)NC1=CC(=CC=C1C)Br CDS021152 [0,0,0,0,0,1|3,0,0]=4 247 B12R1.127 CC(=O)NC1=CC(=CN=C1O)I ADE000682 [0,0,0,0,0,1|3,0,0]=4 248 B12R1.127 CC1=CC=C(C=C1NC(=O)N)Cl S431354 [0,0,0,0,0,1|3,0,0]=4 249 B12R1.127 N=C(N)SC1=C(C=CC(=C1)O)O PH012138 [0,0,0,0,0,1|3,0,0]=4 250 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [1,0,1,0,0,0|1,0,0]=3 251 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.2 CNC1=CC(=CC=C1)N S604097 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [2,0,0,0,0,0|1,0,1]=4 257 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [2,0,0,0,0,0|2,0,0]=4 260 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [2,0,0,0,0,0|0,0,1]=3 261 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [2,0,0,0,0,0|2,0,0]=4 263 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [2,0,0,0,0,0|1,0,1]=4 267 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.15 OCC1=CC=CC=N1O S459240 [2,0,0,0,0,0|1,0,1]=4 269 B9R1.15 OCC1=NC=CC=C1O R578177 [2,0,0,0,0,0|1,0,1]=4 270 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.69 CC1=CC(=CC=C1N)N S442275 [2,0,0,0,0,0|1,0,1]=4 272 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [2,0,0,0,0,0|2,0,0]=4 273 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [2,0,0,0,0,0|1,0,0]=3 278 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [2,0,0,0,0,0|2,0,0]=4 279 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [2,0,0,0,0,0|1,0,0]=3 283 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [2,0,0,0,0,0|1,0,0]=3 284 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [2,0,0,0,0,0|0,0,2]=4 286 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [2,0,0,0,0,0|0,0,1]=3 287 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [2,0,0,0,0,0|1,0,0]=3 288 B11R0.85 O=C(O)/C=C/C(=O)/C=C/C(=O)O S149365 [0,1,1,0,0,0|1,0,0]=3 289 B11R1.8 CC1=CC(=C(C(=C1)C=O)O)C CDS009678 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.8 OCC1=CC(=CC(=C1O)Cl)Cl S548502 [1,1,0,0,0,0|1,0,1]=4 291 B11R1.37 C(=O)C1=C(C=CC(=C1)Cl)OC CDS005116 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.37 COC1=CC=C(C=C1C=O)O CDS008229 [1,1,0,0,0,0|1,0,0]=3 293 B11R1.37 COC1=CC=C(C=C1CO)F CDS020828 [1,1,0,0,0,0|1,0,1]=4 294 B11R1.37 COC1=NC=C(C=C1C=O)C ADE000766 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.37 COC1=NC=C(C=C1C=O)Cl ADE000180 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.72 CC1=CC=C(C(=C1F)C=O)F CDS001752 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.72 O=CC1=C(C(=CC=C1F)Br)F CDS022691 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.72 O=CC1=C(C(=CC=C1F)O)F CDS012447 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.182 C(=O)NC1=C(C=CC(=C1)C)C S576549 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.182 C=CCC1=CC(=CC=C1O)C S35298 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.182 CC1=C(C=C(C=C1)Cl)NC=O S623288 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.182 CC1=CC(=C(C=C1)C)CC=O PH015094 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.182 O/N=C/C1=CC(=CC=C1Cl)Cl PH011150 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.182 O/N=C/C1=CC(=CC=C1O)Br PH002075 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.182 O=CNC1=CC(=CC=C1Cl)Cl PH000061 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.182 ON=CC1=CC(=CC=C1O)Cl PH003985 [1,1,0,0,0,0|1,0,0]=3 307 B11R1.277 CC1=CC(=C(C=C1Br)C=O)O CDS009877 [1,1,0,0,0,0|1,0,0]=3 308 B11R1.277 O=CC1=CC(=C(C=C1Cl)O)Cl PH014528 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.277 O=CC1=CC(=C(C=C1F)Br)F CDS023621 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.277 O=CC1=CC(=C(C=C1O)Cl)Cl CDS009957 [1,1,0,0,0,0|1,0,0]=3 311 B11R1.280 CSC1=CC=C(C(=C1)C=O)O PH008479 [1,1,0,0,0,0|1,0,0]=3 312 B11R1.280 N#CC1=CC(=C(C=C1)Cl)C=O CDS023360 [1,1,0,0,0,0|1,0,1]=4 313 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N CDS017334 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.53 CNC1=C(C=CC=C1)C(=O)N CDS003164 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.53 CNC1=C(C=CC=C1)C(=O)O PH010971 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.53 CNC1=CC=CC=C1C(=O)O R462381 [1,1,0,0,0,0|1,0,0]=3 318 B11R1.53 COC1=C(C=NC=N1)C(=O)O CDS021376 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.53 COC1=CC=CC=C1C(=N)N PH017180 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.53 COC1=NC=CN=C1C(=O)O CDS021111 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.53 N#CC1=CC=CC=C1C(=O)Cl CDS008574 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [1,1,0,0,0,0|0,0,0]=2 324 B11R1.87 CS(=O)(=O)C1=CC=CC=C1O CDS005712 [1,1,0,0,0,0|1,0,1]=4 325 B11R1.87 O=S(=O)(O)C1=C(C=CC=C1)O CDS013549 [1,1,0,0,0,0|1,0,0]=3 326 B11R1.87 O=S(=O)([O-])C1=CC=CC=C1O T330655 [1,1,0,0,0,0|1,0,1]=4 327 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CDS003590 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.156 CC1=CC=CC(=C1C(=O)O)Cl CDS000889 [1,1,0,0,0,0|1,0,0]=3 330 B11R1.156 CC1=CC=CC(=C1C(=O)O)F CDS007502 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.156 CC1=CC=NC(=C1C(=O)O)Cl CDS023531 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.156 NC(=O)C1=C(C=CC=C1N)F CDS011322 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.156 O=C(O)C1=C(C=CC=C1Br)O CDS023946 [1,1,0,0,0,0|0,0,0]=2 334 B11R1.156 O=C(O)C1=C(C=CC=C1Cl)O CDS023309 [1,1,0,0,0,0|0,0,0]=2 335 B11R1.156 O=C(O)C1=C(C=CN=C1Br)O CDS023702 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.156 O=C(O)C1=C(C=NC=C1F)F CDS002726 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.156 O=C([O-])C1=C(C=CC=C1O)O S560618 [1,1,0,0,0,0|0,0,1]=3 338 B11R1.156 O=[N+]([O-])C1=C(C=CC=C1O)F CDS004611 [1,1,0,0,0,0|1,0,1]=4 339 B11R1.156 OB(O)C1=C(C=CC=C1Cl)O CDS024328 [1,1,0,0,0,0|1,0,1]=4 340 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.159 CC1=C(C=CC=C1C(=O)O)O PH005167 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.159 CC1=C(C=CC=C1N)C(=O)N TMT00436 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [1,1,0,0,0,0|1,0,0]=3 347 B11R1.159 CC1=[N+](C(=CC=C1)C(=O)O)[O-] PH008188 [1,1,0,0,0,0|1,0,1]=4 348 B11R1.159 CN1C=CC=C(C1=O)C(=O)O CDS019650 [1,1,0,0,0,0|1,0,1]=4 349 B11R1.159 NC1=C(C=CC=C1Br)C(=O)O CDS004818 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.159 NC1=C(C=CC=C1F)C(=O)O CDS000074 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.159 NC1=C(C=CC=C1O)C(=O)O CDS000116 [1,1,0,0,0,0|1,0,0]=3 352 B11R1.159 O=C(Cl)C1=CC=CC(=C1Cl)Cl CDS001447 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)F CDS021224 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)I ADE000327 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.159 O=C(O)C1=C(C(=NC=C1)Cl)O PH015440 [1,1,0,0,0,0|1,0,0]=3 356 B11R1.159 O=C(O)C1=CC=CC(=C1Br)F CDS002241 [1,1,0,0,0,0|1,0,0]=3 357 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)Cl)O S577219 [1,1,0,0,0,0|1,0,1]=4 358 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)O)O PH000226 [1,1,0,0,0,0|1,0,1]=4 359 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [1,1,0,0,0,0|1,0,0]=3 361 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [1,1,0,0,0,0|1,0,0]=3 362 B11R1.166 CC1=C(C=C[N+](=C1)[O-])C(=O)O T161675 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [1,1,0,0,0,0|1,0,0]=3 364 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)C CDS011445 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)O PH011699 [1,1,0,0,0,0|1,0,0]=3 366 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br CDS022505 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [1,1,0,0,0,0|1,0,0]=3 368 B11R1.166 CC1=CC=C(C(=N1)C)C(=O)O CDS013247 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [1,1,0,0,0,0|1,0,0]=3 373 B11R1.166 NC1=CC(=CN=C1C(=O)O)Br ADE000138 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [1,1,0,0,0,0|0,0,1]=3 375 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [1,1,0,0,0,0|1,0,0]=3 376 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [1,1,0,0,0,0|1,0,0]=3 377 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [1,1,0,0,0,0|0,0,0]=2 378 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Br ADE000582 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.166 O=C(O)C1=NC=C(C=C1F)Br ADE000140 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [1,1,0,0,0,0|1,1,0]=4 386 B11R1.222 COC(=O)C1=C(C=NC=C1)O KOB0086 [1,1,0,0,0,0|1,0,0]=3 387 B11R1.222 COC(=O)C1=CC=NC=C1N ANV00027 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.222 COC(=O)C1=CN=CC=C1N PHB00050 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.222 COC(=O)C1=NC=CC=C1O CDS005462 [1,1,0,0,0,0|1,0,0]=3 390 B11R1.222 N#CC(=O)C1=C(C=CC=C1)Cl R996521 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.222 N#CC(=O)C1=C(C=CC=C1)F CDS020956 [1,1,0,0,0,0|2,0,0]=4 392 B11R1.222 N#CC(=O)C1=CC=CC=C1I S944971 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.222 N/C(=N/O)/C1=C(C=CC=C1)O BOG00050 [1,1,0,0,0,0|1,0,0]=3 394 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [1,1,0,0,0,0|1,0,0]=3 395 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [1,1,0,0,0,0|1,0,0]=3 398 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [1,1,0,0,0,0|1,0,0]=3 401 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [1,1,0,0,0,0|1,0,0]=3 402 B11R1.21 CC1=C(C=C(C=C1)B(O)O)N CDS003846 [1,1,0,0,0,0|1,0,1]=4 403 B11R1.21 CC1=C(C=C(C=C1)B(O)O)N CDS004788 [1,1,0,0,0,0|1,0,1]=4 404 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [1,1,0,0,0,0|1,0,0]=3 405 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [1,1,0,0,0,0|1,0,0]=3 406 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.21 CN1C=CC(=CC1=O)C(=O)O CBR00106 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [1,1,0,0,0,0|1,0,0]=3 409 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.21 NC1=CC(=CC=C1Cl)B(O)O CDS020054 [1,1,0,0,0,0|1,0,1]=4 411 B11R1.21 NC1=CC(=CC=C1F)B(O)O BML00197 [1,1,0,0,0,0|1,0,1]=4 412 B11R1.21 NC1=NC=C(C=C1I)C(=O)O CVT00091 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [1,1,0,0,0,0|1,0,0]=3 414 B11R1.21 O=C(O)C1=CC=C(C(=N1)Br)F CDS023920 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.21 O=C(O)C1=CC=C(C(=N1)Cl)F MNO000118 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [1,1,0,0,0,0|1,0,0]=3 419 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [1,1,0,0,0,0|1,0,0]=3 421 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.23 COC(=O)C1=CC(=CC=N1)Br CDS014039 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.23 COC(=O)C1=CC(=CC=N1)N CDS021624 [1,1,0,0,0,0|1,0,0]=3 426 B11R1.23 COC(=O)C1=CC(=NC=C1)I ADE000319 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [1,1,0,0,0,0|1,0,0]=3 428 B11R1.23 COC(=O)C1=CC=CC(=N1)N CDS005987 [1,1,0,0,0,0|1,0,0]=3 429 B11R1.23 COC(=O)C1=CN=CC(=C1)C PH016250 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.23 COC(=O)C1=CN=CC(=C1)F CDS020854 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.23 COC(=O)C1=C[N+](=CC=C1)C S385360 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.23 COC(=O)C1=NC(=CC=C1)I ADE000338 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000255 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000348 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.23 COC(=O)[N+]1=CC(=CC=C1)C R434086 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.23 NNC(=O)C1=CC(=NC=C1)N ADE000173 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.23 NNC(=O)C1=CC=CC(=C1)Cl PH009753 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.23 O=C(NO)C1=CC(=CC=C1)Cl PH010173 [1,1,0,0,0,0|1,0,0]=3 439 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CDS000426 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)Br S17907 [1,1,0,0,0,0|1,0,0]=3 441 B11R1.74 CC1=CC(=CC(=C1)[N+](=O)[O-])N L170186 [1,1,0,0,0,0|1,0,1]=4 442 B11R1.74 CC1=CC(=O)C=C(N1)C(=O)O CBR02144 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.74 CC1=CC(=O)C=C(O1)C(=O)O CBR01516 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)O S360600 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O PH011754 [1,1,0,0,0,0|0,0,0]=2 446 B11R1.74 O=C(O)C1=CC(=NC(=C1)F)F CDS001979 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.155 CC1=CC(=CC=C1)P(=O)(O)O S915750 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.155 NC1=CC(=CC=C1)S(=O)(=O)[O-] S436879 [1,1,0,0,0,0|1,0,1]=4 449 B11R1.155 NC1=CC=CC(=C1)S(=O)(=O)F CDS003405 [1,1,0,0,0,0|1,0,1]=4 450 B11R1.266 COC1=CC(=NC=C1)C(=O)O ADE000258 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.266 N#CC1=CC(=CC=C1)C(=O)N CDS011401 [1,1,0,0,0,0|1,0,1]=4 452 B11R1.266 N#CC1=CC(=CC=N1)C(=O)O CDS017472 [1,1,0,0,0,0|1,0,1]=4 453 B11R1.266 N#CC1=CC=CC(=N1)C(=O)O CDS021105 [1,1,0,0,0,0|1,0,1]=4 454 B11R1.266 N#CC1=CC=NC(=C1)C(=O)O CDS015447 [1,1,0,0,0,0|1,0,1]=4 455 B11R1.266 NCC1=CC(=CC=C1)B(O)O CDS019607 [1,1,0,0,0,0|1,0,1]=4 456 B11R1.266 NNC1=CC(=CC=C1)C(=O)O CDS001221 [1,1,0,0,0,0|0,0,0]=2 457 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr OTV000175 [1,1,0,0,0,0|1,0,0]=3 458 B11R1.266 O=C(O)C1=CC=CC(=C1)[Hg]Cl S881821 [1,1,0,0,0,0|1,0,0]=3 459 B11R1.266 O=CC1=NC(=CC=C1)C(=O)O CDS023380 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.225 COC(=O)C1=CC(=CN1C)N ANV00044 [0,1,0,0,1,0|2,0,0]=4 461 B11R1.875 COC(=O)C1=C(SC=C1C)N R786993 [0,1,0,0,1,0|2,0,0]=4 462 B13R1.97 COC1=CC(=C(C=C1)O)NC(=O)C S983187 [0,1,0,0,0,1|2,0,0]=4 463 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)Cl)C)O S582514 [0,1,0,0,0,1|2,0,0]=4 464 B13R1.885 CC1=CC=C(C(=C1F)CC(=O)O)Cl CDS001627 [0,1,0,0,0,1|2,0,0]=4 465 B13R1.885 O=C(O)CC1=C(C(=CC=C1Cl)Cl)Cl R435341 [0,1,0,0,0,1|2,0,0]=4 466 B13R1.897 O=C(O)C(O)C1=CC(=CC=C1F)F R436208 [0,1,0,0,0,1|2,0,0]=4 467 B13R1.2872 COC(=O)NC1=C(C=CC(=C1)C)C S636231 [0,1,0,0,0,1|2,0,0]=4 468 B13R1.2872 COC(=O)NC1=C(C=CC(=C1)Cl)C S610194 [0,1,0,0,0,1|2,0,0]=4 469 B13R1.2872 COC(=O)NC1=C(C=CC(=C1)Cl)Cl S594113 [0,1,0,0,0,1|2,0,0]=4 470 B13R1.2872 O=C(CCl)NC1=C(C=CC(=C1)Br)O R590207 [0,1,0,0,0,1|2,0,0]=4 471 B13R1.2872 O=C(CCl)NC1=C(C=CC(=C1)Cl)O MNO000017 [0,1,0,0,0,1|2,0,0]=4 472 B13R1.3089 COC1=CC=C(C=C1CC(=O)C)Br PH014737 [0,1,0,0,0,1|2,0,0]=4 473 B13R1.3089 COC1=CC=C(C=C1CC(=O)O)F JRD0888 [0,1,0,0,0,1|1,0,0]=3 474 B13R1.3089 COC1=CC=C(C=C1NC(=O)C)C PH002939 [0,1,0,0,0,1|2,0,0]=4 475 B13R1.3089 COC1=CC=C(C=C1NC(=O)C)Cl R591610 [0,1,0,0,0,1|2,0,0]=4 476 B13R1.806 O=C(O)C1=C(C(=O)C=C(C=C1)O)O L168327 [0,1,0,0,0,1|1,0,0]=3 477 B13R1.141 CCNC1=C(C=C(C=C1)Cl)C(=O)O PH011281 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.141 CCOC1=CC=C(C=C1C(=O)O)Br L254967 [0,2,0,0,0,0|1,0,0]=3 479 B13R1.141 CCOC1=CC=C(C=C1C(=O)O)Cl L255238 [0,2,0,0,0,0|1,0,0]=3 480 B13R1.165 NC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-] R397393 [0,2,0,0,0,0|1,0,1]=4 481 B13R1.165 O=C(O)C1=C(C=CC(=C1)O)[N+](=O)[O-] PH000057 [0,2,0,0,0,0|1,0,1]=4 482 B13R1.165 O=C(O)C1=CC(=CC=C1B(O)O)Cl CDS020320 [0,2,0,0,0,0|1,0,0]=3 483 B13R1.165 O=C(O)C1=CC=C(C=C1C(=O)O)Br PH011212 [0,2,0,0,0,0|1,0,0]=3 484 B13R1.2209 COC(=O)C1=C(N=CC(=C1)Br)OC VBP00034 [0,2,0,0,0,0|2,0,0]=4 485 B13R1.2209 COC(=O)C1=C(N=CC(=C1)Cl)OC PH005150 [0,2,0,0,0,0|2,0,0]=4 486 B13R1.2209 COC(=O)C1=C(N=CC(=C1)N)OC PH000720 [0,2,0,0,0,0|1,0,0]=3 487 B13R1.2209 COC(=O)C1=CC(=CC=C1OC)N PH011320 [0,2,0,0,0,0|0,0,0]=2 488 B13R1.2209 COC1=C(C=C(C=C1)Cl)C(=O)NN R746657 [0,2,0,0,0,0|2,0,0]=4 489 B13R1.2209 COC1=CC=C(C=C1C(=O)CBr)Br JRD0373 [0,2,0,0,0,0|2,0,0]=4 490 B13R1.2398 COC1=C(C=C(C(=C1)C)Cl)C(=O)C JRD1261 [0,2,0,0,0,0|2,0,0]=4 491 B13R1.2430 CNC1=CC(=C(C=C1)OC)[N+](=O)[O-] S244104 [0,2,0,0,0,0|1,0,1]=4 492 B13R1.2430 COC1=CC=C(C(=C1)C(=O)Cl)OC PH016681 [0,2,0,0,0,0|2,0,0]=4 493 B13R1.2430 COC1=CC=C(C=C1C(=O)O)C=O CDS014068 [0,2,0,0,0,0|1,0,0]=3 494 B13R1.3255 COC1=C(C=C(C=C1C(=O)O)Br)Br L255564 [0,2,0,0,0,0|1,0,0]=3 495 B13R1.3255 COC1=C(C=C(C=C1Cl)Cl)C(=O)C PH011140 [0,2,0,0,0,0|2,0,0]=4 496 B13R1.3255 CSC1=C(C=C(C=C1C(=O)O)Cl)Cl L255793 [0,2,0,0,0,0|1,1,0]=4 497 B13R1.877 CC1=CC(=C(C=C1N)S(=O)(=O)O)C S357901 [0,2,0,0,0,0|2,0,0]=4 498 B13R1.2815 CC1=CC(=CC(=C1C)S(=O)(=O)O)N S554391 [0,2,0,0,0,0|2,0,0]=4 499 B13R1.2815 NC1=C(C(=CC(=C1)Cl)S(=O)(=O)O)O R353140 [0,2,0,0,0,0|2,0,0]=4 500 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)C)C)O JRD1482 [0,2,0,0,0,0|2,0,0]=4 501 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)Cl)C)O PH011664 [0,2,0,0,0,0|2,0,0]=4 502 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)Cl)O)O L498912 [0,2,0,0,0,0|2,0,0]=4 503 B13R1.2811 CC1=C(C(=C(C(=C1)C(=O)O)C)C)C S35158 [0,2,0,0,0,0|2,0,0]=4 504 B13R1.2811 CC1=C(C(=C(C=C1Br)C(=O)O)C)C L119466 [0,2,0,0,0,0|2,0,0]=4 505 B13R1.2811 NC1=C(C(=C(C(=C1)C(=O)O)O)Cl)O S501166 [0,2,0,0,0,0|0,0,0]=2 506 B13R1.2811 NC1=C(C=C(C(=C1I)O)C(=O)O)I S379689 [0,2,0,0,0,0|1,0,0]=3 507 B13R1.2811 O=C(O)C1=C(C(=C(C(=C1)Cl)F)F)F PH000398 [0,2,0,0,0,0|2,0,0]=4 508 B13R1.2811 O=C(O)C1=C(C(=C(C(=C1)Cl)O)Cl)O TMT00288 [0,2,0,0,0,0|1,0,0]=3 509 B13R1.2811 O=C(O)C1=CC(=C(C(=C1Cl)Cl)Cl)Cl PH010988 [0,2,0,0,0,0|2,0,0]=4 510 B13R1.2811 O=C(O)C1=CC(=C(C(=C1O)Br)O)Br S947776 [0,2,0,0,0,0|1,0,0]=3 511 B13R1.2812 CC1=C(C(=CC(=C1C(=O)O)F)F)F CDS022263 [0,2,0,0,0,0|2,0,0]=4 512 B13R1.2812 CC1=CC(=C(C(=C1C)C)C(=O)O)C S53261 [0,2,0,0,0,0|2,0,0]=4 513 B13R1.2812 CC1=CC(=C(C(=C1O)Br)C(=O)O)C S663069 [0,2,0,0,0,0|2,0,0]=4 514 B13R1.2812 NC1=C(C(=C(C=C1Br)Br)C(=O)O)Br S341274 [0,2,0,0,0,0|1,0,0]=3 515 B13R1.2812 O=C(O)C1=C(C=C(C(=C1I)O)I)I S435457 [0,2,0,0,0,0|2,0,0]=4 516 B13R1.446 CCCC(=O)C1=C(C=CC(=C1)C)O PH004501 [0,2,0,0,0,0|2,0,0]=4 517 B13R1.446 CCOC(=O)C1=CC(=CC=C1O)Br KOB0156 [0,2,0,0,0,0|1,0,0]=3 518 B13R1.1822 COC(=O)C1=C(C=CC(=C1N)F)F CDS023768 [0,2,0,0,0,0|2,0,0]=4 519 B13R1.2431 CCC(=O)C1=C(C=CC(=C1)CC)O JRD1479 [0,2,0,0,0,0|2,0,0]=4 520 B13R1.2431 CCC1=CC(=C(C=C1)O)/C(=N/N)/O JRD1300 [0,2,0,0,0,0|2,0,0]=4 521 B13R1.2431 CCC1=CC=C(C(=C1)C(=O)OC)O JRD0887 [0,2,0,0,0,0|1,0,0]=3 522 B13R1.2431 COC(=O)C1=C(C=CC(=C1)C#N)N CDS021115 [0,2,0,0,0,0|1,0,1]=4 523 B13R1.4789 CCC(=O)C1=CC(=CC(=C1O)C)C JRD1481 [0,2,0,0,0,0|2,0,0]=4 524 B13R1.4789 CCC(=O)C1=CC(=CC(=C1O)Cl)Cl PH010709 [0,2,0,0,0,0|2,0,0]=4 525 B13R1.4789 COC(=O)C1=C(C(=CC(=C1)Br)Br)O TMT00127 [0,2,0,0,0,0|1,0,0]=3 526 B13R1.4789 COC(=O)C1=C(C(=CC(=C1)C)N)O PH015506 [0,2,0,0,0,0|1,0,0]=3 527 B13R1.4789 COC(=O)C1=CC(=CC(=C1C)N)Br CDS022798 [0,2,0,0,0,0|2,0,0]=4 528 B13R1.13 CC(=O)C1=CC(=CC=C1O)C(=O)O PH000237 [0,2,0,0,0,0|2,0,0]=4 529 B13R1.13 CN(C)C1=CC=C(C(=C1)C(=O)N)N CDS023630 [0,2,0,0,0,0|2,0,0]=4 530 B13R1.13 NC1=C(C=C(C=C1)C(=O)O)C(=O)O PH010296 [0,2,0,0,0,0|2,0,0]=4 531 B13R1.387 N#CSC1=CC(=C(C=C1)N)C(=O)O PH003439 [0,2,0,0,0,0|1,0,1]=4 532 B13R1.3097 COC1=CC=C(C(=C1C)C(=O)O)Br KOB0168 [0,2,0,0,0,0|2,0,0]=4 533 B13R1.3097 COC1=CC=C(C(=C1F)C(=O)O)F CDS020918 [0,2,0,0,0,0|2,0,0]=4 534 B13R1.2818 CC(=O)C1=C(C(=CC(=C1O)Cl)Cl)O PH007353 [0,2,0,0,0,0|2,0,0]=4 535 B13R1.2818 CC1=C(C(=C(C(=C1)Cl)C)C(=O)O)C PH009148 [0,2,0,0,0,0|2,0,0]=4 536 B13R1.2818 CC1=CC(=C(C(=C1C)C(=O)O)Cl)C PH009149 [0,2,0,0,0,0|2,0,0]=4 537 B13R1.2818 O=C(O)C1=C(C(=CC(=C1Cl)Cl)Cl)Cl S829137 [0,2,0,0,0,0|2,0,0]=4 538 B13R1.2818 O=C(O)C1=C(C(=CC(=C1O)Cl)Cl)O PH010269 [0,2,0,0,0,0|1,0,0]=3 539 B13R1.3340 CC1=CC=C(C(=C1N=[NH2+])C(=O)O)C S35433 [0,2,0,0,0,0|2,0,0]=4 540 B13R1.3340 COC1=C(C(=CC=C1F)F)C(=O)O CDS021012 [0,2,0,0,0,0|2,0,0]=4 541 B11R1.75 CC1=CC=C(O1)/C=C/C(=O)O S136638 [0,0,1,1,0,0|2,0,0]=4 542 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [0,0,1,1,0,0|1,0,1]=4 543 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [0,0,1,1,0,0|2,0,0]=4 544 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [0,0,1,1,0,0|1,0,1]=4 545 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [1,0,0,1,0,0|2,0,0]=4 546 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [1,0,0,1,0,0|2,0,0]=4 547 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [1,0,0,1,0,0|2,0,0]=4 548 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [1,0,0,1,0,0|2,0,0]=4 549 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [1,0,0,1,0,0|2,0,0]=4 550 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [1,0,0,1,0,0|1,0,0]=3 551 B13R2.155 NC1=CC=C2C=CC(=O)OC2=C1 CDS022443 [0,0,0,1,0,1|2,0,0]=4 552 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 CDS006614 [0,0,0,1,0,1|2,0,0]=4 553 B13R2.155 O=C1COC2=CC=C(C=C2N1)O OTV000751 [0,0,0,1,0,1|2,0,0]=4 554 B13R2.162 NC1=CC2=C(C=C1)CCNC2=O CDS024424 [0,1,0,1,0,0|2,0,0]=4 555 B13R2.162 NC1=CC=C2C=CNC(=O)C2=C1 CDS024382 [0,1,0,1,0,0|2,0,0]=4 556 B13R2.162 NC1=CC=C2CCCC(=O)C2=C1 CDS006837 [0,1,0,1,0,0|2,0,0]=4 557 B13R2.162 NC1=CC=C2OC=CC(=O)C2=C1 JRD0738 [0,1,0,1,0,0|1,0,0]=3 558 B13R2.162 O=C1CCOC2=CC=C(C=C12)O PH006899 [0,1,0,1,0,0|2,0,0]=4 559 B13R2.5187 NC1=CC2=C(C=C1)C(=O)NC2=O CDS000148 [0,1,0,1,0,0|1,0,1]=4 560 B13R2.5187 NC1=CC2=C(C=C1)C(=O)NC2=O R464295 [0,1,0,1,0,0|1,0,1]=4 561 B13R2.5187 O=C1OC(=O)C2=C1C=CC(=C2)Cl PH011762 [0,1,0,1,0,0|1,0,1]=4 562 B13R2.5187 O=C1OC(=O)C2=C1C=CC(=C2)O PH004941 [0,1,0,1,0,0|1,0,1]=4 563 B13R2.3028 CC1=C(C2=C(O1)C=CC(=C2)N)C CDS024504 [0,1,0,1,0,0|2,0,0]=4 564 B13R2.5151 O=C1CCC2=C1C(=CC=C2Cl)O CDS007876 [0,1,0,1,0,0|2,0,0]=4 565 B13R2.669 COC1=CC2=C(C=C1)COC2=O S847151 [0,1,0,1,0,0|2,0,0]=4 566 B9R1.41 CC1=C(C=CN1)C(=O)O CBR01791 [1,0,0,0,1,0|2,0,0]=4 567 B9R1.41 CC1=C(C=CS1)C(=O)O PH005181 [1,0,0,0,1,0|2,0,0]=4 568 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [1,0,0,0,1,0|2,0,0]=4 569 B9R1.41 O=C(O)C1=C(C=CN1)Cl T266515 [1,0,0,0,1,0|2,0,0]=4 570 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [1,0,0,0,1,0|2,0,0]=4 571 B9R1.41 O=C(O)C1=C(OC=C1)Cl PH008831 [1,0,0,0,1,0|2,0,0]=4 572 B9R1.35 CC1=CC(=CS1)C(=O)O SYX00379 [1,0,0,0,1,0|2,0,0]=4 573 B9R1.35 NC1=CSC(=C1)C(=O)O CDS010170 [1,0,0,0,1,0|1,0,0]=3 574 B9R1.35 NC1=NC(=CS1)C(=O)O CDS003787 [1,0,0,0,1,0|2,0,0]=4 575 B9R1.35 NC1=NC=C(O1)C(=O)O CDS023546 [1,0,0,0,1,0|2,0,0]=4 576 B9R1.35 NC1=NC=C(S1)C(=O)O CDS004559 [1,0,0,0,1,0|2,0,0]=4 577 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [1,0,0,0,1,0|2,0,0]=4 578 B9R1.35 O=C(O)C1=CSC(=C1)Br CDS013228 [1,0,0,0,1,0|2,0,0]=4 579 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [1,0,0,0,0,1|2,0,0]=4 580 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [1,0,0,0,0,1|2,0,0]=4 581 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [1,0,0,0,0,1|2,0,0]=4 582 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [1,0,0,0,0,1|1,0,0]=3 583 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [1,0,0,0,0,1|2,0,0]=4 584 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [1,0,0,0,0,1|2,0,0]=4 585 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [1,0,0,0,0,1|2,0,0]=4 586 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [1,0,0,0,0,1|1,0,1]=4 587 B13R1.893 CC1=CC(=C(C=C1)C)/C=C/C(=O)O PH011355 [0,0,0,0,0,2|2,0,0]=4 588 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)O R435279 [0,0,0,0,0,2|2,0,0]=4 589 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)O S408166 [0,0,0,0,0,2|2,0,0]=4 590 B13R1.893 O=C(O)/C=C/C1=C(C=CC(=C1)I)F L134279 [0,0,0,0,0,2|2,0,0]=4 591 B13R1.893 O=C(O)CCC1=CC(=CC=C1Cl)Cl JRD0472 [0,0,0,0,0,2|2,0,0]=4 592 B13R1.893 O=C(O)COC1=C(C=CC(=C1)Cl)Cl OTV000322 [0,0,0,0,0,2|2,0,0]=4 593 B13R1.893 O=C(O)COC1=CC(=CC=C1Br)F CDS022259 [0,0,0,0,0,2|2,0,0]=4 594 B13R1.893 O=C(O)CSC1=C(C=CC(=C1)Cl)Cl PH011457 [0,0,0,0,0,2|2,0,0]=4