0 B13R2.57 C#CC1=CC=C2C=CC=CC2=C1 CDS008002 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.57 C#CC1=CC=C2N=CC=NC2=C1 CDS013627 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.57 C(=O)C1=CC=C2C=CC=NC2=C1 CDS007586 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.57 CC[N+]1=CC2=C(C=CC=C2)C=C1 S619299 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.57 COC1=CC2=C(C=C1)CNCC2 CDS005465 [0,0,0,0,0,0|2,0,2]=4 5 B13R2.57 COC1=CC=C2C=CC=CC2=N1 T170909 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.57 COC1=CC=C2C=NC=CC2=C1 T170895 [0,0,0,0,0,0|2,0,0]=2 7 B13R2.57 COC1=CC=C2C=NCCC2=C1 PH002969 [0,0,0,0,0,0|2,0,2]=4 8 B13R2.57 COC1=CC=C2CNCCC2=C1 CDS002721 [0,0,0,0,0,0|2,0,2]=4 9 B13R2.57 COC1=CN=C2C=CC=NC2=C1 ADE000867 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.57 COC1CCC2=C(C1)C=CC=N2 PH009621 [0,0,0,0,0,0|0,0,4]=4 11 B13R2.57 ClCC1=CC=C2C=CC=CC2=N1 TMT00192 [0,0,0,0,0,0|4,0,0]=4 12 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS018131 [0,0,0,0,0,0|4,0,0]=4 13 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS021870 [0,0,0,0,0,0|4,0,0]=4 14 B13R2.57 NCC1=CN=C2C=CC=CC2=C1 CDS007196 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.57 NNC1=CC=C2C=NC=CC2=C1 PH019505 [0,0,0,0,0,0|4,0,0]=4 16 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 CDS013832 [0,0,0,0,0,0|2,0,0]=2 17 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 CDS008037 [0,0,0,0,0,0|4,0,0]=4 18 B13R2.57 OCC1=CC=C2C=CC=CC2=N1 CDS014253 [0,0,0,0,0,0|4,0,0]=4 19 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 PH011260 [1,0,0,0,0,0|1,0,0]=2 20 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [1,0,0,0,0,0|2,0,0]=3 21 B12R2.24 CC1=NC2=C(C=C1)C=NC=C2 PH008439 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ADE000831 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 S619213 [1,0,0,0,0,0|2,0,0]=3 24 B12R2.24 ClC1=CC2=C(C=CC=C2)C=N1 PH006843 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [1,0,0,0,0,0|2,0,0]=3 28 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [1,0,0,0,0,0|2,0,0]=3 32 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [1,0,0,0,0,0|2,0,0]=3 33 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [1,0,0,0,0,0|3,0,0]=4 34 B14R2.92 CCN1C=CC2=C(C1=S)C=CC=C2 L202746 [0,1,0,0,0,0|3,0,0]=4 35 B14R2.92 COC1=C(C2=C(C=C1)C=NC=C2)Br PH018816 [0,1,0,0,0,0|2,0,0]=3 36 B14R2.92 COC1=C(C2=C(C=CC=C2)C=C1)I R268720 [0,1,0,0,0,0|1,0,0]=2 37 B14R2.92 COC1=CN=C2C=CC=NC2=C1I ADE000869 [0,1,0,0,0,0|3,0,0]=4 38 B14R2.92 O=CC1=CC=C2C=CC=CC2=C1O CDS000044 [0,1,0,0,0,0|3,0,0]=4 39 B14R2.112 CCNC1=CC=C2C=CC=CC2=C1 CDS011399 [0,1,0,0,0,0|2,0,0]=3 40 B14R2.112 CCOC1=CC2=C(C=C1)N=CC=C2 S817899 [0,1,0,0,0,0|0,0,0]=1 41 B14R2.112 CCOC1=NC2=CC=CC=C2C=C1 T160180 [0,1,0,0,0,0|2,0,0]=3 42 B14R2.112 CNCC1=CC2=CC=CC=C2N=C1 CBR02295 [0,1,0,0,0,0|3,0,0]=4 43 B14R2.112 CNCC1=CC=C2N=CC=CC2=C1 CBR00241 [0,1,0,0,0,0|1,0,0]=2 44 B14R2.112 CNCC1=CC=C2N=CC=NC2=C1 CDS019761 [0,1,0,0,0,0|2,0,0]=3 45 B14R2.112 CSCC1=CC2=C(C=CC=C2)C=C1 S799173 [0,1,0,0,0,0|1,1,0]=3 46 B14R2.112 NCCC1=CC2=CC=CC=C2C=C1 L300306 [0,1,0,0,0,0|2,0,0]=3 47 B14R2.112 O/N=C/C1=CC=C2C=CC=CC2=C1 PH009916 [0,1,0,0,0,0|3,0,0]=4 48 B14R2.112 OCCC1=NC2=C(C=CC=C2)C=C1 PH004940 [0,1,0,0,0,0|3,0,0]=4 49 B14R2.134 C(=O)C1=CC2=C(C=CC(=C2)C)C=C1 S943770 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.134 CC1=CC2=CC(=CC=C2C=C1)C#N PH001896 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)O2 IDF00007 [0,1,0,0,0,0|2,0,1]=4 52 B14R2.134 COC1=CC=C2C=CC(=NC2=C1)C BBO000218 [0,1,0,0,0,0|2,0,0]=3 53 B14R2.134 COC1=CC=C2N=CC(=CC2=C1)N BBO000579 [0,1,0,0,0,0|0,0,0]=1 54 B14R2.134 COC1=CC=C2OCC(=O)NC2=C1 JRD0383 [0,1,0,0,0,0|2,0,1]=4 55 B14R2.142 CCC1=CC=C2N=CC=C(C2=C1)N BBO000154 [0,1,0,0,0,0|1,0,0]=2 56 B14R2.142 CCC1=CC=C2N=CC=C(C2=C1)O BBO000208 [0,1,0,0,0,0|1,0,0]=2 57 B14R2.142 COC1=CC2=C(C=C1)N=CC=C2C BBO000710 [0,1,0,0,0,0|0,0,0]=1 58 B14R2.142 COC1=CC2=C(C=C1)N=CC=C2Cl BBO000696 [0,1,0,0,0,0|0,0,0]=1 59 B14R2.142 COC1=CC2=C(C=C1)OC=CC2=O PH000375 [0,1,0,0,0,0|1,0,0]=2 60 B14R2.142 COC1=CC2=C(C=C1)OCCC2=O IDF00006 [0,1,0,0,0,0|1,0,2]=4 61 B14R2.142 COC1=CC2=C(C=C1)OCCC2=O PH000175 [0,1,0,0,0,0|1,0,2]=4 62 B14R2.142 COC1=CC=C2N=CC=C(C2=C1)Br BBO000237 [0,1,0,0,0,0|0,0,0]=1 63 B14R2.142 COC1=CC=C2N=CC=C(C2=C1)N BBO000076 [0,1,0,0,0,0|0,0,0]=1 64 B14R2.142 COC1=CC=C2N=CC=C(C2=C1)O BBO000055 [0,1,0,0,0,0|0,0,0]=1 65 B14R2.142 COC1=CN=C2N=CC=C(C2=C1)Br PH019512 [0,1,0,0,0,0|1,0,0]=2 66 B14R2.781 CC(Br)C1=CC2=C(C=CC=C2)C=C1 PH010426 [0,1,0,0,0,0|2,0,0]=3 67 B14R2.781 CC(C)C1=CC2=C(C=CC=C2)C=C1 S365653 [0,1,0,0,0,0|2,0,0]=3 68 B14R2.781 CC(C)C1=CC2=C(C=CC=C2)C=C1 S393320 [0,1,0,0,0,0|2,0,0]=3 69 B14R2.781 CC(N)C1=CC=C2C=CC=CC2=C1 CDS020343 [0,1,0,0,0,0|2,0,0]=3 70 B14R2.781 CC(N)C1=CC=C2N=CC=CC2=C1 PH018539 [0,1,0,0,0,0|1,0,0]=2 71 B14R2.781 CN(C)C1=NC2=C(C=CC=C2)C=C1 S820369 [0,1,0,0,0,0|3,0,0]=4 72 B14R2.781 O=C(O)C1=CC2=C(C=C1)N=CC=C2 PH006820 [0,1,0,0,0,0|2,0,0]=3 73 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=N1 CDS001881 [0,1,0,0,0,0|3,0,0]=4 74 B14R2.781 O=C([O-])C1=CC2=CC=CC=C2C=C1 R580694 [0,1,0,0,0,0|3,0,0]=4 75 B14R2.781 O=S(O)C1=CC2=C(C=CC=C2)C=C1 S652083 [0,1,0,0,0,0|2,1,0]=4 76 B14R2.781 OB(O)C1=CC2=NC=CN=C2C=C1 CDS013896 [0,1,0,0,0,0|3,0,0]=4 77 B14R2.1128 CC1=CC2=C(C=CC=C2)C=C1CBr S280526 [0,1,0,0,0,0|3,0,0]=4 78 B14R2.1128 CC1=CC2=C(C=CC=C2)C=C1CBr S302805 [0,1,0,0,0,0|3,0,0]=4 79 B14R2.1128 CCC1=CC2=CC=CC=C2N=C1Cl BBO000255 [0,1,0,0,0,0|3,0,0]=4 80 B14R2.1128 CCC1=CC2=CC=CC=C2N=C1N BBO000545 [0,1,0,0,0,0|3,0,0]=4 81 B14R2.1128 N#CC1=CC2=CC=CN=C2N=C1N ADE000830 [0,1,0,0,0,0|3,0,0]=4 82 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O UPL0014 [0,1,0,0,0,0|3,0,0]=4 83 B14R2.1801 CC[N+]1=CC2=C(C=C1)C(=CC=C2)O S533661 [0,1,0,0,0,0|3,0,0]=4 84 B14R2.1801 COC1=CC2=C(C=C1)C(=CC=C2)N T153451 [0,1,0,0,0,0|1,0,0]=2 85 B14R2.1801 COC1=CC2=NC=CC(=C2C=C1)Br BBO000276 [0,1,0,0,0,0|2,0,0]=3 86 B14R2.1801 COC1=CC=C2C(=CC=NC2=C1)N BBO000569 [0,1,0,0,0,0|2,0,0]=3 87 B14R2.1801 COC1=CC=C2C(=O)NC=CC2=C1 OTV000443 [0,1,0,0,0,0|2,0,0]=3 88 B14R2.2332 COC1=CC=C2C=C(C=NC2=C1)N BBO000640 [0,1,0,0,0,0|2,0,0]=3 89 B14R2.2332 COC1=CC=C2N=C(C=CC2=C1)Cl BBO000233 [0,1,0,0,0,0|0,0,0]=1 90 B14R2.2332 O=CC1=CC2=CC=C(C=C2C=C1)O CDS018120 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [0,0,1,0,0,0|3,0,0]=4 92 B12R1.27 COC(=O)C=CC1=CC=NC=C1 S409413 [0,0,1,0,0,0|3,0,0]=4 93 B12R1.71 C=CCNC1=CC=C(C=C1)OC S340707 [0,0,1,0,0,0|0,0,2]=3 94 B12R1.71 C=CCOC1=CC=C(C=C1)OC T279811 [0,0,1,0,0,0|1,0,1]=3 95 B12R1.114 COC1=CC(=C(C=C1)NC=O)C S626082 [0,0,1,0,0,0|1,0,2]=4 96 B12R1.382 COC1=CC=CC(=C1)/C=C/C#N PH011241 [0,0,1,0,0,0|0,0,2]=3 97 B12R2.32 OCC1=CC2=NC=CC=C2O1 ADE001139 [0,0,0,0,1,0|3,0,0]=4 98 B12R2.44 C(=O)C1=CC2=C(C=C1)OC=C2 CDS017525 [0,0,0,0,1,0|3,0,0]=4 99 B12R2.44 C(=O)C1=CN2C=CN=C2C=C1 CDS016444 [0,0,0,0,1,0|3,0,0]=4 100 B12R2.44 COC1=CC=C2NCCC2=C1 CDS015727 [0,0,0,0,1,0|0,0,3]=4 101 B12R2.44 COC1=CC=C2OCOC2=C1 PH008541 [0,0,0,0,1,0|2,0,1]=4 102 B12R2.44 COC1=CN=C2NC=CC2=C1 ADE000892 [0,0,0,0,1,0|1,0,1]=3 103 B12R2.44 COC1=NC=C2NN=CC2=C1 BLN00038 [0,0,0,0,1,0|2,0,1]=4 104 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 CDS017856 [0,0,0,0,1,0|3,0,0]=4 105 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 CBR01022 [0,0,0,0,1,0|3,0,0]=4 106 B12R2.44 NCC1=CC2=C(C=CN2)C=C1 CDS006666 [0,0,0,0,1,0|3,0,0]=4 107 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 CDS015196 [0,0,0,0,1,0|2,0,1]=4 108 B12R2.44 OCC1=CC2=C(C=C1)SC=C2 CDS016026 [0,0,0,0,1,0|3,0,0]=4 109 B12R2.44 OCC1=CN2C=CN=C2C=C1 CDS018509 [0,0,0,0,1,0|3,0,0]=4 110 B14R2.93 ON=C1C=CC2=CC=CC=C2C=C1 T176516 [0,0,0,0,0,1|3,0,0]=4 111 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [1,0,1,0,0,0|2,0,0]=4 112 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [1,0,1,0,0,0|1,0,0]=3 113 B11R1.1 C=CCOC1=CC=C(C=C1)C S433047 [1,0,1,0,0,0|1,0,1]=4 114 B11R1.1 C=CCSC1=CC=C(C=C1)C S648388 [1,0,1,0,0,0|1,0,1]=4 115 B11R1.83 COC1=CC=C(C=C1)/C=N/O PH010671 [1,0,1,0,0,0|2,0,0]=4 116 B11R1.279 COC1=CC=C(C(=C1)Cl)C=O CDS013130 [1,0,1,0,0,0|2,0,0]=4 117 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [1,0,1,0,0,0|1,0,1]=4 118 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [1,0,1,0,0,0|1,0,1]=4 119 B11R1.40 COC(=O)NC1=CN=CC=C1 R427268 [1,0,1,0,0,0|2,0,0]=4 120 B11R1.182 C=CCC1=CC(=CC=C1O)C S35298 [1,0,1,0,0,0|1,0,1]=4 121 B11R1.189 C(=O)CC1=CC=CC(=C1)OC CDS021827 [1,0,1,0,0,0|1,0,1]=4 122 B11R1.189 C(=O)NC1=CC(=CC=C1)OC S516600 [1,0,1,0,0,0|2,0,0]=4 123 B11R1.189 C/N=C/C1=CC=CC(=C1)OC S683248 [1,0,1,0,0,0|1,0,1]=4 124 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [2,0,0,0,0,0|2,0,0]=4 125 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [2,0,0,0,0,0|0,0,1]=3 126 B11R2.20 C1=CC2=CN=CC=C2N=C1 ADE000839 [2,0,0,0,0,0|1,0,0]=3 127 B11R2.20 C1=CC2=[N+](C=C1)C=CC=N2 S29867 [2,0,0,0,0,0|1,0,0]=3 128 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [2,0,0,0,0,0|1,0,1]=4 129 B11R2.20 C1=CN=C2N=CC=CC2=C1 CDS021459 [2,0,0,0,0,0|1,0,0]=3 130 B11R2.20 C1=C[N+]2=C(N=C1)N=CC=C2 S11860 [2,0,0,0,0,0|2,0,0]=4 131 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [2,0,0,0,0,0|0,1,1]=4 132 B13R1.11 COC(=O)/C=C(/C)\C1=CC=CC=C1 S882089 [0,1,1,0,0,0|2,0,0]=4 133 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Br S931675 [0,1,1,0,0,0|2,0,0]=4 134 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Cl S880671 [0,1,1,0,0,0|2,0,0]=4 135 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)O KOB0128 [0,1,1,0,0,0|2,0,0]=4 136 B13R1.15 COC(=O)/C=C/C1=CC(=CC=C1)C EME00166 [0,1,1,0,0,0|2,0,0]=4 137 B13R1.528 COC(=O)/C=C/C1=C(C=CC=C1)O PH004658 [0,1,1,0,0,0|2,0,0]=4 138 B13R1.3 COC1=CC=C(C=C1)/C=C/C(=O)O T135062 [0,1,1,0,0,0|2,0,0]=4 139 B13R1.5 C(=O)/C(=C/C1=CC=C(C=C1)OC)/C S941565 [0,1,1,0,0,0|2,0,0]=4 140 B13R1.371 C=CCNCC1=CC=C(C=C1)OC T286176 [0,1,1,0,0,0|0,0,2]=4 141 B13R1.452 C/C=C/C(=O)C1=CC=C(C=C1)OC PH007387 [0,1,1,0,0,0|1,0,1]=4 142 B13R1.452 COC1=CC=C(C=C1)C(=O)/C=C/[O-] S732354 [0,1,1,0,0,0|2,0,0]=4 143 B13R1.355 C=CCC1=C(C=CC(=C1)OC)OC T277681 [0,1,1,0,0,0|1,0,1]=4 144 B13R1.643 CSC1=CC(=CC=C1)/C=C/C(=O)O T285293 [0,1,1,0,0,0|1,1,0]=4 145 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)N S779156 [1,1,0,0,0,0|1,0,0]=3 146 B13R2.32 CC1=C(C2=C(C=CC=C2)N=C1)C PH006874 [1,1,0,0,0,0|2,0,0]=4 147 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S11313 [1,1,0,0,0,0|2,0,0]=4 148 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S832863 [1,1,0,0,0,0|2,0,0]=4 149 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)Cl S287989 [1,1,0,0,0,0|2,0,0]=4 150 B13R2.32 NC1=C(C2=CC=CC=C2C=C1)O CDS000188 [1,1,0,0,0,0|2,0,0]=4 151 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br BBO000749 [1,1,0,0,0,0|1,0,0]=3 152 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br CDS010158 [1,1,0,0,0,0|1,0,0]=3 153 B13R2.155 CC1=NC2=CC(=CC=C2C=C1)Br BBO000574 [1,1,0,0,0,0|2,0,0]=4 154 B13R2.155 NC1=CC2=CC(=CC=C2N=C1)Br BBO000553 [1,1,0,0,0,0|1,0,0]=3 155 B13R2.155 OC1=CC2=CC(=CC=C2N=C1)Br BBO000554 [1,1,0,0,0,0|1,0,0]=3 156 B13R2.162 CC1=CC2=C(C=C1)N=CC=C2O BBO000008 [1,1,0,0,0,0|0,0,0]=2 157 B13R2.162 CC1=CC2=C(C=C1)N=CN=C2O PH010472 [1,1,0,0,0,0|1,0,0]=3 158 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)N CDS000034 [1,1,0,0,0,0|2,0,0]=4 159 B13R2.162 CC1=CC=C2C=CN=C(C2=C1)Cl PH009950 [1,1,0,0,0,0|2,0,0]=4 160 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)Cl BBO000230 [1,1,0,0,0,0|0,0,0]=2 161 B13R2.162 CC1=CC=CC2=C1N=C(C=C2)C R158348 [1,1,0,0,0,0|2,0,0]=4 162 B13R2.162 CC1=CC=NC2=C1C=C(C=C2)Br BBO000699 [1,1,0,0,0,0|1,0,0]=3 163 B13R2.162 ClC1=CC2=C(C=C1)N=CN=C2Cl S658367 [1,1,0,0,0,0|2,0,0]=4 164 B13R2.162 ClC1=CC2=C(C=CN=C2C=C1)Br BBO000279 [1,1,0,0,0,0|1,0,0]=3 165 B13R2.162 ClC1=CC=C2N=CC=C(C2=C1)Cl BBO000145 [1,1,0,0,0,0|1,0,0]=3 166 B13R2.162 ClC1=CC=NC2=CC=C(C=C12)Br JRD0187 [1,1,0,0,0,0|1,0,0]=3 167 B13R2.162 ClC1=NC=NC2=CC=C(C=C12)I PH009966 [1,1,0,0,0,0|2,0,0]=4 168 B13R2.162 FC1=CC2=C(C=C1)N=CC=C2Cl BBO000711 [1,1,0,0,0,0|1,0,0]=3 169 B13R2.162 FC1=CC=C2N=CC=C(C2=C1)Br BBO000278 [1,1,0,0,0,0|1,0,0]=3 170 B13R2.162 NC1=CC=C2OC=CC(=O)C2=C1 JRD0738 [1,1,0,0,0,0|2,0,0]=4 171 B13R2.162 NC1=CC=NC2=CC=C(C=C12)Br BBO000153 [1,1,0,0,0,0|1,0,0]=3 172 B13R2.162 NC1=CC=NC2=CC=C(C=C12)F BBO000756 [1,1,0,0,0,0|1,0,0]=3 173 B13R2.162 NC1=NC=NC2=C1C=C(C=C2)Br CDS007914 [1,1,0,0,0,0|2,0,0]=4 174 B13R2.162 O=C1NC=NC2=CC=C(C=C12)I TMT00177 [1,1,0,0,0,0|2,0,0]=4 175 B13R2.162 OC1=CC=NC2=C1C=C(C=C2)Br ANV00098 [1,1,0,0,0,0|1,0,0]=3 176 B13R2.162 OC1=CC=NC2=CC=C(C=C12)Cl OTV000284 [1,1,0,0,0,0|1,0,0]=3 177 B13R2.162 OC1=CC=NC2=CC=C(C=C12)F JRD0180 [1,1,0,0,0,0|1,0,0]=3 178 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl R745979 [1,1,0,0,0,0|2,0,0]=4 179 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl S84892 [1,1,0,0,0,0|2,0,0]=4 180 B13R2.328 ClC1=CC(=CC2=CC=CN=C12)Br CDS023884 [1,1,0,0,0,0|1,0,0]=3 181 B13R2.328 OC1=CC2=C(C=CC=C2)C(=N1)O S943460 [1,1,0,0,0,0|2,0,0]=4 182 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [1,1,0,0,0,0|1,0,0]=3 183 B13R2.369 CC1=C(C=C2N=CC=NC2=C1)C L168912 [1,1,0,0,0,0|1,0,0]=3 184 B13R2.369 CC1=CC2=C(C=CC=C2)C=[N+]1C S676535 [1,1,0,0,0,0|2,0,0]=4 185 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [1,1,0,0,0,0|2,0,0]=4 186 B13R2.3683 CC1=CC2=C(C=C1)C=C(C=C2)F PH010449 [1,1,0,0,0,0|1,0,0]=3 187 B13R2.3683 CC1=CC2=C(C=C1)NC(=CO2)O PH001606 [1,1,0,0,0,0|1,0,1]=4 188 B13R2.3683 CC1=CC=C2C=C(C=CC2=C1)I PH005825 [1,1,0,0,0,0|1,0,0]=3 189 B13R2.3683 CC1=CC=C2C=C(C=NC2=C1)N BBO000645 [1,1,0,0,0,0|2,0,0]=4 190 B13R2.3683 CC1=CN=C2N=C(C=CC2=C1)C ADE000845 [1,1,0,0,0,0|1,0,0]=3 191 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N R396583 [1,1,0,0,0,0|1,0,0]=3 192 B13R2.3683 CC1=NC2=NC=C(C=C2C=C1)F ADE000849 [1,1,0,0,0,0|2,0,0]=4 193 B13R2.3683 ClC1=CC=C2C=C(C=CC2=C1)Cl R415464 [1,1,0,0,0,0|2,0,0]=4 194 B13R2.3683 ClC1=NC2=CC=C(C=C2C=N1)Br CDS021044 [1,1,0,0,0,0|2,0,0]=4 195 B13R2.3683 NC1=CC2=CC=C(C=C2C=C1)O PH007390 [1,1,0,0,0,0|1,0,0]=3 196 B13R2.3683 NC1=CC=C2C=C(C=NC2=N1)Br CDS019239 [1,1,0,0,0,0|2,0,0]=4 197 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS000898 [1,1,0,0,0,0|2,0,0]=4 198 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS019990 [1,1,0,0,0,0|2,0,0]=4 199 B13R2.3683 NC1=NC2=C(C=C1)C=C(C=C2)Br BBO000551 [1,1,0,0,0,0|1,0,0]=3 200 B13R2.3683 O=C1C=CC2=C(O1)C=CC(=C2)Cl PH007228 [1,1,0,0,0,0|2,0,0]=4 201 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)Br CDS006965 [1,1,0,0,0,0|1,0,1]=4 202 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)O CDS004847 [1,1,0,0,0,0|0,0,1]=3 203 B13R2.3683 OC1=NC2=CC=C(C=C2C=C1)Br BBO000085 [1,1,0,0,0,0|1,0,0]=3 204 B13R2.3683 OC1=NC2=NC=C(C=C2C=C1)Br ADE000844 [1,1,0,0,0,0|2,0,0]=4 205 B13R2.5179 CC1=CC2=NC=CC(=C2C=C1)Br BBO000588 [1,1,0,0,0,0|2,0,0]=4 206 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)Cl BBO000174 [1,1,0,0,0,0|2,0,0]=4 207 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)O BBO000221 [1,1,0,0,0,0|2,0,0]=4 208 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)O CDS000157 [1,1,0,0,0,0|1,0,0]=3 209 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [1,1,0,0,0,0|2,0,0]=4 210 B13R2.43 CCC1=CC2=CC(=CN=C2N1)Br ADE001051 [0,1,0,0,1,0|2,0,0]=4 211 B13R2.84 COC1=C(C2=NC=CN2C=C1)I ADE001432 [0,1,0,0,1,0|2,0,0]=4 212 B13R2.84 COC1=CN=C2NC=CC2=C1Cl ADE000986 [0,1,0,0,1,0|1,0,1]=4 213 B13R2.449 CCOC1=NN2C=CN=C2C=C1 SYX00363 [0,1,0,0,1,0|2,0,0]=4 214 B13R2.599 COC1=C(C=C2C=NNC2=C1)Br SYX00190 [0,1,0,0,1,0|2,0,0]=4 215 B13R2.599 COC1=C(C=C2C=NNC2=C1)O PH018730 [0,1,0,0,1,0|2,0,0]=4 216 B13R2.654 COC1=CC2=C(NC=C2)C(=N1)Cl PH017774 [0,1,0,0,1,0|1,0,1]=4 217 B13R2.669 COC1=CC2=C(C=C1)COC2=O S847151 [0,1,0,0,1,0|1,0,1]=4 218 B13R2.669 COC1=CC=C2NC=C(C2=N1)I ADE000926 [0,1,0,0,1,0|1,0,1]=4 219 B13R2.669 COC1=CN=C2NC=C(C2=C1)I ADE000929 [0,1,0,0,1,0|1,0,1]=4 220 B13R2.2121 CCC1=CC2=C(C=C1)N=C(S2)N PH010443 [0,1,0,0,1,0|2,0,0]=4 221 B13R2.2121 COC1=CC2=C(C=C1)OC(=N2)C S986259 [0,1,0,0,1,0|2,0,0]=4 222 B13R2.2121 COC1=CC=C2N=C(SC2=N1)N CDS020685 [0,1,0,0,1,0|2,0,0]=4 223 B13R2.2121 COC1=CC=C2SC(=NC2=C1)N CDS014859 [0,1,0,0,1,0|2,0,0]=4 224 B13R2.2121 COC1=CN2C=C(N=C2C=C1)Br ADE001237 [0,1,0,0,1,0|1,0,0]=3 225 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 R462292 [0,1,0,0,1,0|1,0,1]=4 226 B13R2.2130 COC1=CC=C2C(=O)NCC2=C1 CDS009260 [0,1,0,0,1,0|1,0,1]=4 227 B15R2.2220 COCC1=COC2=CC=CC=C2C1=O PH007769 [0,2,0,0,0,0|2,0,0]=4 228 B15R2.4778 COC1=C(C2=C(C=C1)C=C(C=C2)Br)Br S323039 [0,2,0,0,0,0|1,0,0]=3 229 B15R2.352 C#CCOC1=CC2=CC=CC=C2C=C1 CDS022104 [0,2,0,0,0,0|1,0,0]=3 230 B15R2.352 CCCOC1=CC2=C(C=CC=C2)C=C1 S648051 [0,2,0,0,0,0|1,0,0]=3 231 B15R2.352 OCCOC1=CC2=C(C=CC=C2)C=C1 S939714 [0,2,0,0,0,0|1,0,0]=3 232 B15R2.886 CCOC1=NC2=CC=CC=C2C(=C1)Cl PH016023 [0,2,0,0,0,0|2,0,0]=4 233 B15R2.1290 CCOC1=CC=C2N=CC=C(C2=C1)Cl BBO000169 [0,2,0,0,0,0|0,0,0]=2 234 B15R2.1290 CCOC1=CC=C2N=CC=C(C2=C1)N BBO000744 [0,2,0,0,0,0|0,0,0]=2 235 B15R2.1290 CCOC1=CC=C2N=CC=C(C2=C1)O BBO000231 [0,2,0,0,0,0|0,0,0]=2 236 B15R2.1601 C/C(=N\N)/C1=CC2=C(C=CC=C2)C=C1 R431931 [0,2,0,0,0,0|2,0,0]=4 237 B15R2.1601 C/C(=N\O)/C1=CC2=CC=CC=C2C=C1 PH009166 [0,2,0,0,0,0|2,0,0]=4 238 B15R2.1601 CCC(=O)C1=CC2=C(C=CC=C2)C=C1 S285579 [0,2,0,0,0,0|2,0,0]=4 239 B15R2.1601 COC(=O)C1=NC2=C(C=CC=C2)C=C1 EME00139 [0,2,0,0,0,0|2,0,0]=4 240 B15R2.1601 NNC(=O)C1=CC=C2N=CC=CC2=C1 PH010910 [0,2,0,0,0,0|2,0,0]=4 241 B15R2.1601 O=C(CCl)C1=CC2=CC=CC=C2C=C1 PH005134 [0,2,0,0,0,0|2,0,0]=4 242 B15R2.1668 CC(=O)NC1=CC2=C(C=CC=C2)C=C1 S458449 [0,2,0,0,0,0|2,0,0]=4 243 B15R2.10252 CCOC1=CC2=C(C=C1)N=C(C=C2)C S408417 [0,2,0,0,0,0|0,0,0]=2 244 B15R2.4807 COC1=CC=C2N=CC(=C(C2=C1)Br)Cl PH015756 [0,2,0,0,0,0|0,0,0]=2 245 B15R2.4807 COC1=CC=C2N=CC(=C(C2=C1)Cl)Br BBO000333 [0,2,0,0,0,0|0,0,0]=2 246 B15R2.4807 COC1=CC=C2N=CC(=C(C2=C1)I)F PH018864 [0,2,0,0,0,0|0,0,0]=2 247 B15R2.4807 COC1=CC=C2OC=C(C(=O)C2=C1)I JRD0893 [0,2,0,0,0,0|1,0,0]=3 248 B15R2.21336 COC1=CC=C2C=C(C(=NC2=C1)Cl)C BBO000139 [0,2,0,0,0,0|2,0,0]=4 249 B15R2.21336 COC1=CC=C2C=C(C(=NC2=C1)N)C BBO000547 [0,2,0,0,0,0|2,0,0]=4 250 B15R2.21336 COC1=CC=C2N=C(C(=CC2=C1)C)Cl BBO000135 [0,2,0,0,0,0|0,0,0]=2 251 B15R2.21336 COC1=CC=C2N=C(C(=CC2=C1)C)N BBO000066 [0,2,0,0,0,0|0,0,0]=2 252 B15R2.89396 COC1=CC2=C(C=C1)C(=CC(=N2)C)O S512249 [0,2,0,0,0,0|2,0,0]=4 253 B15R2.89396 COC1=CC2=C(C=C1)C(=CC(=O)O2)C T340855 [0,2,0,0,0,0|2,0,0]=4 254 B15R2.89396 COC1=CC2=C(C=C1)C(=O)C=C(N2)C R261807 [0,2,0,0,0,0|2,0,0]=4 255 B15R2.89396 COC1=CC2=NC(=CC(=C2C=C1)Br)C BBO000282 [0,2,0,0,0,0|2,0,0]=4 256 B15R2.89396 COC1=CC=C2C(=CC(=NC2=C1)Br)C BBO000656 [0,2,0,0,0,0|2,0,0]=4 257 B15R2.89396 COC1=CC=C2C(=CC(=NC2=C1)C)Cl BBO000172 [0,2,0,0,0,0|2,0,0]=4 258 B15R2.89396 COC1=CC=C2C(=CC(=NC2=C1)C)N BBO000568 [0,2,0,0,0,0|2,0,0]=4 259 B15R2.89396 COC1=CC=C2C(=CC(=O)NC2=C1)O CVT00065 [0,2,0,0,0,0|2,0,0]=4 260 B15R2.4846 C=CC1=C2C=C(C=CC2=CC=C1)OC PH015066 [0,2,0,0,0,0|1,0,0]=3 261 B15R2.4846 C=CC1=CC=NC2=CC=C(C=C12)OC PH015848 [0,2,0,0,0,0|0,0,0]=2 262 B15R2.4846 C=CC1=CC=NC2=CC=C(N=C12)OC PH015929 [0,2,0,0,0,0|1,0,0]=3 263 B15R2.4846 COC1=CC=C2N=CC=C(C2=C1)C=O BBO000552 [0,2,0,0,0,0|0,0,0]=2 264 B15R2.4846 COC1=CC=C2N=CC=C(C2=C1)CCl PH017906 [0,2,0,0,0,0|0,0,0]=2 265 B15R2.4846 COC1=CC=C2N=CC=C(C2=N1)C=O PH017858 [0,2,0,0,0,0|1,0,0]=3 266 B15R2.21329 CCC1=CC2=C(C=C(N=C2C=C1)C)Br BBO000281 [0,2,0,0,0,0|1,0,0]=3 267 B15R2.21329 CCC1=CC=C2OC(=O)C=C(C2=C1)O JRD1108 [0,2,0,0,0,0|2,0,0]=4 268 B15R2.21329 COC1=CC2=C(C=C1)N=C(C=C2C)Cl BBO000692 [0,2,0,0,0,0|0,0,0]=2 269 B15R2.21329 COC1=CC2=C(C=C1)N=C(C=C2C)O PH003783 [0,2,0,0,0,0|0,0,0]=2 270 B15R2.21329 COC1=CC2=C(C=C1)N=C(C=C2Cl)C BBO000697 [0,2,0,0,0,0|0,0,0]=2 271 B15R2.21329 COC1=CC2=C(C=C1)N=C(NC2=O)C R101869 [0,2,0,0,0,0|1,0,0]=3 272 B15R2.21329 COC1=CC=C2N=C(C=C(C2=C1)Br)C BBO000236 [0,2,0,0,0,0|0,0,0]=2 273 B15R2.21329 COC1=CC=C2N=C(C=C(C2=C1)N)C BBO000079 [0,2,0,0,0,0|0,0,0]=2 274 B15R2.21329 COC1=CC=C2N=C(C=C(C2=C1)O)C BBO000051 [0,2,0,0,0,0|0,0,0]=2 275 B15R2.61353 O=[N+]([O-])C1=CC2=C(C=C1)N=CC=C2O PH011637 [0,2,0,0,0,0|2,0,0]=4 276 B15R2.4441 CC(C)(C)C1=CC2=C(C=C1)N=CC=C2 PH011053 [0,2,0,0,0,0|1,0,0]=3 277 B15R2.4441 CS(=O)(=O)C1=CC2=C(C=C1)N=CC=C2 S814733 [0,2,0,0,0,0|0,1,0]=3 278 B15R2.4441 O=S(=O)(O)C1=CC2=CC=CN=C2C=C1 PH015299 [0,2,0,0,0,0|1,1,0]=4 279 B15R2.7180 CC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br T303321 [0,2,0,0,0,0|2,0,0]=4 280 B15R2.7180 CC1=CC=C2C=C(C=CC2=N1)[N+](=O)[O-] T326771 [0,2,0,0,0,0|2,0,0]=4 281 B15R2.7180 CC1=NC2=C(C=C1)C=C(C=C2)N(C)C S648744 [0,2,0,0,0,0|1,0,0]=3 282 B15R2.7180 O=C(Cl)C1=CC2=CC=C(N=C2C=C1)Cl PH015895 [0,2,0,0,0,0|2,0,0]=4 283 B15R2.14951 O=[N+]([O-])C1=CC2=C(N=CC=C2)C(=C1)Cl S838624 [0,2,0,0,0,0|2,0,0]=4 284 B15R2.2713 COC1=NC2=CC=C(C=C2C(=C1)Cl)C PH015328 [0,2,0,0,0,0|2,0,0]=4 285 B15R2.117 COC1=CC2=C(C=NC=C2)C=C1OC R152277 [0,2,0,0,0,0|2,0,0]=4 286 B15R2.2310 CCC1=CC=CC2=C1C=CC(=C2)OC S956260 [0,2,0,0,0,0|1,0,0]=3 287 B15R2.89401 COC1=CC=C2C(=C1)N=CC(=C2Cl)Cl BBO000334 [0,2,0,0,0,0|2,0,0]=4 288 B15R2.4780 COC1=CC=C2N=C(N=NC2=C1)NN PH016695 [0,2,0,0,0,0|2,0,0]=4 289 B15R3.4266 C1=CC2=C(C=C1)C=C3OCOC3=C2 S589012 [0,1,0,1,0,0|1,0,0]=3 290 B11R1.25 COC(=O)/C=C/C1=CC=CS1 PH011225 [0,0,1,0,1,0|2,0,0]=4 291 B11R1.25 COC(=O)/C=C/C1=CNC=C1 R179809 [0,0,1,0,1,0|2,0,0]=4 292 B11R2.10 CC1=NC2=CC=CN=C2N1 CBR01690 [1,0,0,0,1,0|2,0,0]=4 293 B11R2.36 BrC1=CC=C2SC=CC2=C1 CDS014001 [1,0,0,0,1,0|2,0,0]=4 294 B11R2.36 CC1=CC2=C(N=C1)NC=C2 ADE000939 [1,0,0,0,1,0|1,0,1]=4 295 B11R2.36 CC1=CC2=N[Se]N=C2C=C1 S418013 [1,0,0,0,1,0|2,0,0]=4 296 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [1,0,0,0,1,0|2,0,0]=4 297 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [1,0,0,0,1,0|1,0,1]=4 298 B11R2.36 ClC1=CN2C=CN=C2C=C1 ADE001445 [1,0,0,0,1,0|2,0,0]=4 299 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [1,0,0,0,1,0|2,0,0]=4 300 B11R2.36 OC1=CC2=NON=C2C=C1 CDS016098 [1,0,0,0,1,0|2,0,0]=4 301 B11R2.36 OC1=CC=C2NC=NC2=C1 CBR02476 [1,0,0,0,1,0|1,0,1]=4 302 B11R2.36 OC1=CN=C2C=CNC2=C1 ADE000960 [1,0,0,0,1,0|2,0,0]=4 303 B11R2.36 OC1=CN=C2C=COC2=C1 ADE001146 [1,0,0,0,1,0|2,0,0]=4 304 B11R2.36 OC1=CN=C2NC=CC2=C1 ADE000886 [1,0,0,0,1,0|1,0,1]=4 305 B11R2.36 OC1=NN2C=CN=C2C=C1 SYX00185 [1,0,0,0,1,0|2,0,0]=4 306 B15R2.2285 COC1=NC=CC2=CC=CC=C2C=C1 T176478 [0,0,0,0,0,2|1,0,0]=3 307 B15R2.1795 COC1=NC2=CC=CC=C2C=CC=C1 T176524 [0,0,0,0,0,2|2,0,0]=4