0 B12R2.1081 BrC1=CC=CC2=CN=NC=C12 CDS021144 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.1081 CC1=CC=CC2=C1NCCC2 CDS013606 [0,0,0,0,0,0|1,0,3]=4 2 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [0,0,0,0,0,0|1,0,2]=3 3 B12R2.1081 C[N+]1=CC=CC2=C1C=CC=C2 S706817 [0,0,0,0,0,0|1,0,0]=1 4 B12R2.1081 ClC1=CC=CC2=CC=CN=C12 CDS004725 [0,0,0,0,0,0|2,0,0]=2 5 B12R2.1081 ClC1=CC=CC2=CC=NC=C12 CDS006562 [0,0,0,0,0,0|2,0,0]=2 6 B12R2.1081 ClC1=CC=NC2=C1C=NC=C2 CDS023178 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.1081 FC1=CC=CC2=CC=CN=C12 CDS006871 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 CDS021135 [0,0,0,0,0,0|2,0,0]=2 9 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 CBR00181 [0,0,0,0,0,0|3,0,0]=3 10 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 S513253 [0,0,0,0,0,0|2,0,0]=2 11 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [0,0,0,0,0,0|1,0,0]=1 12 B12R2.1081 NC1=CC=CC2=CC=NC=C12 CDS020140 [0,0,0,0,0,0|2,0,0]=2 13 B12R2.1081 NC1=CC=NC2=CC=CC=C12 BBO000743 [0,0,0,0,0,0|2,0,0]=2 14 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CDS009704 [0,0,0,0,0,0|2,0,0]=2 15 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [0,0,0,0,0,0|2,0,0]=2 16 B12R2.1081 O=C1CCNC2=CC=CC=C12 CDS014814 [0,0,0,0,0,0|2,0,2]=4 17 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [0,0,0,0,0,0|2,0,2]=4 18 B12R2.1081 O=C1NOCC2=C1C=CC=C2 PH009154 [0,0,0,0,0,0|3,0,1]=4 19 B12R2.1081 O=C1ON=CC2=C1C=CC=C2 PH008604 [0,0,0,0,0,0|3,0,0]=3 20 B12R2.1081 OC1=CC=CC2=C1C=CCC2 PH008627 [0,0,0,0,0,0|1,0,2]=3 21 B12R2.1081 OC1=CC=CC2=C1N=CC=C2 S440892 [0,0,0,0,0,0|2,0,0]=2 22 B12R2.1081 OC1=CC=CC2=CC=NC=C12 CDS007114 [0,0,0,0,0,0|2,0,0]=2 23 B12R2.1081 OC1=CN=CC2=CC=CC=C12 CDS009938 [0,0,0,0,0,0|2,0,0]=2 24 B12R2.1081 [NH+]1=CC=CC2=C1C(=CC=C2)[S-] R396265 [0,0,0,0,0,0|2,0,0]=2 25 B12R2.1081 [PbH2]1SOC(=O)C2=C1C=CC=C2 S839485 [0,0,0,0,0,0|4,0,0]=4 26 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [1,0,0,0,0,0|1,0,0]=2 27 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [1,0,0,0,0,0|1,0,0]=2 28 B11R2.20 C1=CC2=CN=CC=C2N=C1 ADE000839 [1,0,0,0,0,0|2,0,0]=3 29 B11R2.20 C1=CC2=[N+](C=C1)C=CC=N2 S29867 [1,0,0,0,0,0|2,0,0]=3 30 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [1,0,0,0,0,0|2,0,1]=4 31 B11R2.20 C1=CN=C2N=CC=CC2=C1 CDS021459 [1,0,0,0,0,0|2,0,0]=3 32 B11R2.20 C1=C[N+]2=C(N=C1)N=CC=C2 S11860 [1,0,0,0,0,0|3,0,0]=4 33 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [1,0,0,0,0,0|1,0,1]=3 34 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)N S779156 [0,1,0,0,0,0|1,0,0]=2 35 B13R2.32 CC1=C(C2=C(C=CC=C2)N=C1)C PH006874 [0,1,0,0,0,0|1,0,0]=2 36 B13R2.32 CC1=C(C=NC2=C1C=CC=C2)N R262064 [0,1,0,0,0,0|1,0,0]=2 37 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S11313 [0,1,0,0,0,0|1,0,0]=2 38 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S832863 [0,1,0,0,0,0|1,0,0]=2 39 B13R2.32 CC1=[N+](C2=C(C=CC=C2)N=C1)[O-] PH008273 [0,1,0,0,0,0|3,0,0]=4 40 B13R2.32 CN1C(=O)CSC2=CC=CC=C12 T313084 [0,1,0,0,0,0|2,0,1]=4 41 B13R2.32 CN1C(=S)C=CC2=C1C=CC=C2 S628654 [0,1,0,0,0,0|1,0,0]=2 42 B13R2.32 CN1C=NC2=CC=CC=C2C1=O PH003333 [0,1,0,0,0,0|3,0,0]=4 43 B13R2.32 ClC1=C(C2=CC=CC=C2N=C1)Br BBO000622 [0,1,0,0,0,0|2,0,0]=3 44 B13R2.32 ClC1=C(C=NC2=C1C=CC=C2)I SYX00306 [0,1,0,0,0,0|2,0,0]=3 45 B13R2.32 ClC1=C(C=NC2=CC=CC=C12)Br BBO000332 [0,1,0,0,0,0|2,0,0]=3 46 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)Cl S287989 [0,1,0,0,0,0|1,0,0]=2 47 B13R2.32 NC1=C(C2=CC=CC=C2C=C1)O CDS000188 [0,1,0,0,0,0|1,0,0]=2 48 B13R2.32 NC1=C(C=NC2=C1C=CC=C2)Br BBO000629 [0,1,0,0,0,0|2,0,0]=3 49 B13R2.32 NC1=CN=C2C=CC=NC2=C1I ADE000871 [0,1,0,0,0,0|3,0,0]=4 50 B13R2.32 O=C1C=CC2=C(N1O)C=CC=C2 PH008969 [0,1,0,0,0,0|2,0,0]=3 51 B13R2.32 OC1=C(C=NC2=C1C=CC=C2)I SYX00005 [0,1,0,0,0,0|2,0,0]=3 52 B13R2.32 OC1=C(C=NC2=CC=CC=C12)Br BBO000325 [0,1,0,0,0,0|2,0,0]=3 53 B13R2.32 OC1=C(C=NC2=CC=CN=C12)Br T316318 [0,1,0,0,0,0|3,0,0]=4 54 B13R2.32 OC1=CN=C2C=CC=NC2=C1I ADE000865 [0,1,0,0,0,0|3,0,0]=4 55 B13R2.162 CC1=CC2=C(C=C1)N=CC=C2O BBO000008 [0,1,0,0,0,0|2,0,0]=3 56 B13R2.162 CC1=CC2=C(C=C1)N=CN=C2O PH010472 [0,1,0,0,0,0|3,0,0]=4 57 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)N CDS000034 [0,1,0,0,0,0|2,0,0]=3 58 B13R2.162 CC1=CC=C2C=CN=C(C2=C1)Cl PH009950 [0,1,0,0,0,0|2,0,0]=3 59 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)Cl BBO000230 [0,1,0,0,0,0|2,0,0]=3 60 B13R2.162 CC1=CC=CC2=C1N=C(C=C2)C R158348 [0,1,0,0,0,0|1,0,0]=2 61 B13R2.162 CC1=CC=NC2=C1C=C(C=C2)Br BBO000699 [0,1,0,0,0,0|1,0,0]=2 62 B13R2.162 ClC1=CC2=C(C=C1)N=CN=C2Cl S658367 [0,1,0,0,0,0|3,0,0]=4 63 B13R2.162 ClC1=CC2=C(C=CN=C2C=C1)Br BBO000279 [0,1,0,0,0,0|2,0,0]=3 64 B13R2.162 ClC1=CC=C2N=CC=C(C2=C1)Cl BBO000145 [0,1,0,0,0,0|2,0,0]=3 65 B13R2.162 ClC1=CC=NC2=CC=C(C=C12)Br JRD0187 [0,1,0,0,0,0|2,0,0]=3 66 B13R2.162 ClC1=NC2=C(C=CC=C2C=C1)Br KOB0136 [0,1,0,0,0,0|2,0,0]=3 67 B13R2.162 ClC1=NC=NC2=CC=C(C=C12)I PH009966 [0,1,0,0,0,0|3,0,0]=4 68 B13R2.162 FC1=CC2=C(C=C1)N=CC=C2Cl BBO000711 [0,1,0,0,0,0|2,0,0]=3 69 B13R2.162 FC1=CC=C2N=CC=C(C2=C1)Br BBO000278 [0,1,0,0,0,0|2,0,0]=3 70 B13R2.162 NC1=CC=C2C=CNC(=O)C2=C1 CDS024382 [0,1,0,0,0,0|2,0,0]=3 71 B13R2.162 NC1=CC=C2OC=CC(=O)C2=C1 JRD0738 [0,1,0,0,0,0|2,0,0]=3 72 B13R2.162 NC1=CC=NC2=CC=C(C=C12)Br BBO000153 [0,1,0,0,0,0|2,0,0]=3 73 B13R2.162 NC1=CC=NC2=CC=C(C=C12)F BBO000756 [0,1,0,0,0,0|2,0,0]=3 74 B13R2.162 NC1=NC=NC2=C1C=C(C=C2)Br CDS007914 [0,1,0,0,0,0|3,0,0]=4 75 B13R2.162 O=C1C=CC2=C(N1)C(=CN=C2)Br VBP00003 [0,1,0,0,0,0|3,0,0]=4 76 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)Br KOB0160 [0,1,0,0,0,0|2,0,0]=3 77 B13R2.162 O=C1NC=NC2=CC=C(C=C12)I TMT00177 [0,1,0,0,0,0|3,0,0]=4 78 B13R2.162 OC1=CC=NC2=C1C=C(C=C2)Br ANV00098 [0,1,0,0,0,0|2,0,0]=3 79 B13R2.162 OC1=CC=NC2=CC=C(C=C12)Cl OTV000284 [0,1,0,0,0,0|2,0,0]=3 80 B13R2.162 OC1=CC=NC2=CC=C(C=C12)F JRD0180 [0,1,0,0,0,0|2,0,0]=3 81 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl R745979 [0,1,0,0,0,0|3,0,0]=4 82 B13R2.162 OC1=NC=NC2=C1C=C(C=C2)Cl S84892 [0,1,0,0,0,0|3,0,0]=4 83 B13R2.328 CC1=CC(=C2C=CC=NC2=N1)Cl MNO000097 [0,1,0,0,0,0|3,0,0]=4 84 B13R2.328 CC1=CC(=NC2=CC=CC=C12)N BBO000578 [0,1,0,0,0,0|1,0,0]=2 85 B13R2.328 CC1=CC(=NC2=CC=CC=[N+]12)C S29859 [0,1,0,0,0,0|2,0,0]=3 86 B13R2.328 CC1=CC(=O)N2=CC=CC=C2N1 OTV000974 [0,1,0,0,0,0|3,0,0]=4 87 B13R2.328 CC1=CC(=O)N2C=CC=CC2=N1 T320765 [0,1,0,0,0,0|3,0,0]=4 88 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [0,1,0,0,0,0|1,0,0]=2 89 B13R2.328 CC1=NC2=CC=CC=C2C(=N1)Cl ANV00241 [0,1,0,0,0,0|3,0,0]=4 90 B13R2.328 ClC1=CC(=CC2=CC=CN=C12)Br CDS023884 [0,1,0,0,0,0|2,0,0]=3 91 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 S732184 [0,1,0,0,0,0|2,0,0]=3 92 B13R2.328 NC1=CC2=C(C=CN=C2)C(=N1)Br S872938 [0,1,0,0,0,0|3,0,0]=4 93 B13R2.328 NC1=CC2=CC=CC=C2C(=N1)Br PH009726 [0,1,0,0,0,0|2,0,0]=3 94 B13R2.328 NC1=NC(=C2C=CC=CC2=N1)N CDS001152 [0,1,0,0,0,0|3,0,0]=4 95 B13R2.328 NC1=NC2=C(C=CC=C2)C(=C1)O R240303 [0,1,0,0,0,0|2,0,0]=3 96 B13R2.328 NC1=NC2=CC=CC=C2C(=O)N1 CDS020257 [0,1,0,0,0,0|3,0,0]=4 97 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CDS019926 [0,1,0,0,0,0|2,0,0]=3 98 B13R2.328 O=C1C=C(N=C2N1C=CC=C2)Cl R795666 [0,1,0,0,0,0|3,0,0]=4 99 B13R2.328 O=C1C=C([N+]2=C(N1)C=CC=C2)[O-] R973165 [0,1,0,0,0,0|3,0,0]=4 100 B13R2.328 O=C1SC(=NC2=C1C=CC=C2)S S275190 [0,1,0,0,0,0|3,0,0]=4 101 B13R2.328 OC1=CC2=C(C=CC=C2)C(=N1)O S943460 [0,1,0,0,0,0|2,0,0]=3 102 B13R2.328 [NH+]1=C(C2=C(C=CC=C2)N=C1C)O R663514 [0,1,0,0,0,0|3,0,0]=4 103 B13R2.342 BrC1=CC=CC2=C(C=CN=C12)Br BBO000590 [0,1,0,0,0,0|2,0,0]=3 104 B13R2.342 BrC1=CC=CC2=C1C=CC=C2Br S671576 [0,1,0,0,0,0|1,0,0]=2 105 B13R2.342 CC1=C2N=CC=C(C2=CC=C1)N BBO000078 [0,1,0,0,0,0|1,0,0]=2 106 B13R2.342 CC1=C2N=CC=C(C2=CC=C1)O PH002702 [0,1,0,0,0,0|1,0,0]=2 107 B13R2.342 CC1=CC=CC2=C(C=CN=C12)Cl BBO000712 [0,1,0,0,0,0|1,0,0]=2 108 B13R2.342 CC1=CC=CC2=C(N=CN=C12)Cl CDS005205 [0,1,0,0,0,0|2,0,0]=3 109 B13R2.342 CC1=CC=CC2=C1OCCC2=O PH014564 [0,1,0,0,0,0|1,0,2]=4 110 B13R2.342 ClC1=C2N=CC=C(C2=CC=C1)Br BBO000239 [0,1,0,0,0,0|2,0,0]=3 111 B13R2.342 ClC1=CC=CC2=C1N=CN=C2Cl CDS020951 [0,1,0,0,0,0|3,0,0]=4 112 B13R2.342 ClC1=CC=NC2=C(C=CC=C12)Br BBO000222 [0,1,0,0,0,0|2,0,0]=3 113 B13R2.342 FC1=C2N=CC=C(C2=CC=C1)Br BBO000240 [0,1,0,0,0,0|2,0,0]=3 114 B13R2.342 FC1=CC=CC2=C1N=CC=C2Cl BBO000703 [0,1,0,0,0,0|2,0,0]=3 115 B13R2.342 NC1=C2C=CC=C(C2=NC=C1)Br CBR00223 [0,1,0,0,0,0|2,0,0]=3 116 B13R2.342 NC1=CC=CC2=C(C=CC=C12)Br CDS014028 [0,1,0,0,0,0|1,0,0]=2 117 B13R2.342 NC1=CC=CC2=C1C=CC=C2O S706795 [0,1,0,0,0,0|1,0,0]=2 118 B13R2.342 NC1=CC=NC2=C(C=CC=C12)Cl BBO000570 [0,1,0,0,0,0|2,0,0]=3 119 B13R2.342 NC1=CC=NC2=C(C=CC=C12)F BBO000718 [0,1,0,0,0,0|2,0,0]=3 120 B13R2.342 OC1=CC=NC2=C(C=CC=C12)Br BBO000023 [0,1,0,0,0,0|2,0,0]=3 121 B13R2.342 OC1=CC=NC2=C(C=CC=C12)Cl BBO000039 [0,1,0,0,0,0|2,0,0]=3 122 B13R2.371 CC1=C2C=CC=NC2=C(C=C1)Br CDS021083 [0,1,0,0,0,0|1,0,0]=2 123 B13R2.371 CC1=CC=C(C2=CC=CN=C12)O PH017862 [0,1,0,0,0,0|1,0,0]=2 124 B13R2.371 CC1=CC=[N+](C2=C1C=CC=C2)C S395153 [0,1,0,0,0,0|1,0,0]=2 125 B13R2.371 CC1=NNC(=O)C2=CC=CC=C12 S246468 [0,1,0,0,0,0|2,0,0]=3 126 B13R2.371 CN1CCC(=O)C2=CC=CC=C12 PH003691 [0,1,0,0,0,0|1,0,2]=4 127 B13R2.371 ClC1=CC=C(C2=C1C=CC=C2)I R268704 [0,1,0,0,0,0|1,0,0]=2 128 B13R2.371 FC1=CC=C(C2=CC=CN=C12)Br CDS023642 [0,1,0,0,0,0|2,0,0]=3 129 B13R2.371 NC1=C2C=CC=NC2=C(C=C1)O TMT00194 [0,1,0,0,0,0|2,0,0]=3 130 B13R2.371 NC1=CC=C(C2=C1C=CC=C2)O S57836 [0,1,0,0,0,0|1,0,0]=2 131 B13R2.371 NC1=CC=C(C2=C1N=CC=C2)Br R397679 [0,1,0,0,0,0|2,0,0]=3 132 B13R2.371 O=C1NC=C(C2=CC=CC=C12)Br SYX00211 [0,1,0,0,0,0|2,0,0]=3 133 B13R2.371 O=C1NN=C(C2=C1C=CC=C2)Cl T160946 [0,1,0,0,0,0|3,0,0]=4 134 B13R2.371 O=C1NN=C(C2=C1C=CC=C2)[O-] S849197 [0,1,0,0,0,0|3,0,0]=4 135 B13R2.371 OC1=CC=C(C2=C1C=CC=N2)Cl PH017861 [0,1,0,0,0,0|2,0,0]=3 136 B13R2.371 OC1=CC=C(C2=C1N=CC=C2)Cl R277053 [0,1,0,0,0,0|2,0,0]=3 137 B13R2.371 [O-][N+]1=CC=C(C2=C1C=CC=C2)Cl T161721 [0,1,0,0,0,0|2,0,0]=3 138 B13R2.1613 BrCC1=CC=CC2=C1N=CC=C2 PH010429 [0,1,0,0,0,0|1,0,0]=2 139 B13R2.1613 CC[N+]1=CC=CC2=C1C=CC=C2 S633127 [0,1,0,0,0,0|1,0,0]=2 140 B13R2.1613 CC[N+]1=CC=CC2=C1C=CC=C2 S697117 [0,1,0,0,0,0|1,0,0]=2 141 B13R2.1613 CC[N+]1=CC=CC2=C1C=CC=C2 S920983 [0,1,0,0,0,0|1,0,0]=2 142 B13R2.1613 COC1=C2C=CC=CC2=CC=N1 T170887 [0,1,0,0,0,0|1,0,0]=2 143 B13R2.1613 N#CC1=CC=NC2=C1C=CC=C2 S841013 [0,1,0,0,0,0|1,0,1]=3 144 B13R2.1613 N/N=C/1\C=COC2=C1C=CC=C2 T292575 [0,1,0,0,0,0|2,0,0]=3 145 B13R2.1613 NCC1=CC=NC2=C1C=CC=C2 CDS010363 [0,1,0,0,0,0|1,0,0]=2 146 B13R2.1613 NNC1=C2C=CC=CC2=CN=N1 PH016716 [0,1,0,0,0,0|3,0,0]=4 147 B13R2.1613 NNC1=CC=CC2=C1N=CC=C2 CBR02445 [0,1,0,0,0,0|2,0,0]=3 148 B13R2.1613 NNC1=CC=CC2=CC=CC=C12 ANV00020 [0,1,0,0,0,0|1,0,0]=2 149 B13R2.1613 NNC1=CC=NC2=CC=CC=C12 BBO000548 [0,1,0,0,0,0|2,0,0]=3 150 B13R2.1613 NNC1=NC=NC2=CC=CC=C12 CBR00329 [0,1,0,0,0,0|3,0,0]=4 151 B13R2.1613 O=CC1=CC=CC2=C1C=CC=N2 CDS000968 [0,1,0,0,0,0|1,0,1]=3 152 B13R2.1613 OCC1=CC=CC2=CC=CN=C12 CDS021555 [0,1,0,0,0,0|1,0,0]=2 153 B13R2.1613 OCC1=CC=CC2=NC=CC=C12 CDS009892 [0,1,0,0,0,0|1,0,0]=2 154 B13R2.4818 CC1=CC=CC2=C1[N+](=CC=C2)C R461709 [0,1,0,0,0,0|1,0,0]=2 155 B13R2.4818 CC1=CN=CC2=CC=CC(=C12)Br SYX00212 [0,1,0,0,0,0|1,0,0]=2 156 B13R2.4818 ClC1=C2C(=CC=CC2=NC=C1)Br PH019581 [0,1,0,0,0,0|2,0,0]=3 157 B13R2.4818 ClC1=C2C(=CC=CC2=NC=N1)Br CDS021052 [0,1,0,0,0,0|3,0,0]=4 158 B13R2.4818 ClC1=CC=CC2=C1C(=CC=C2)Cl T283169 [0,1,0,0,0,0|1,0,0]=2 159 B13R2.4818 NC1=C2C(=CC=CC2=CC=C1)O T285277 [0,1,0,0,0,0|1,0,0]=2 160 B13R2.4818 O=C1NC=NC2=C1C(=CC=C2)Cl R745960 [0,1,0,0,0,0|3,0,0]=4 161 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NC=N2 S658324 [0,1,0,0,0,0|3,0,0]=4 162 B13R2.5179 CC1=CC2=NC=CC(=C2C=C1)Br BBO000588 [0,1,0,0,0,0|2,0,0]=3 163 B13R2.5179 CC1=CC=C2C(=C1)N=CN=C2Cl CDS021109 [0,1,0,0,0,0|3,0,0]=4 164 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)Cl BBO000174 [0,1,0,0,0,0|2,0,0]=3 165 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)O BBO000221 [0,1,0,0,0,0|2,0,0]=3 166 B13R2.5179 ClC1=CC2=C(C=C1)C(=CC=N2)Cl R426881 [0,1,0,0,0,0|2,0,0]=3 167 B13R2.5179 ClC1=CC2=C(C=C1)C(=NC=N2)Cl S671487 [0,1,0,0,0,0|3,0,0]=4 168 B13R2.5179 ClC1=CC=NC2=CC(=CC=C12)Br BBO000274 [0,1,0,0,0,0|2,0,0]=3 169 B13R2.5179 ClC1=NC2=CC=CC(=C2C=C1)Br BBO000549 [0,1,0,0,0,0|2,0,0]=3 170 B13R2.5179 FC1=CC2=NC=CC(=C2C=C1)Br BBO000589 [0,1,0,0,0,0|2,0,0]=3 171 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl BBO000702 [0,1,0,0,0,0|2,0,0]=3 172 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl CDS007214 [0,1,0,0,0,0|2,0,0]=3 173 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)O CDS000157 [0,1,0,0,0,0|1,0,0]=2 174 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [0,1,0,0,0,0|1,0,0]=2 175 B13R2.5179 NC1=CC2=CC=CC(=C2N=C1)Br BBO000641 [0,1,0,0,0,0|2,0,0]=3 176 B13R2.5179 NC1=CC=C2C(=O)NC=CC2=C1 CDS023842 [0,1,0,0,0,0|2,0,0]=3 177 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)Br BBO000566 [0,1,0,0,0,0|2,0,0]=3 178 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)Cl BBO000159 [0,1,0,0,0,0|2,0,0]=3 179 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)F BBO000567 [0,1,0,0,0,0|2,0,0]=3 180 B13R2.5179 NC1=NC=C2C(=CC=CC2=N1)Cl CDS016761 [0,1,0,0,0,0|3,0,0]=4 181 B13R2.5179 O=C1C=COC2=CC(=CC=C12)Cl JRD1023 [0,1,0,0,0,0|2,0,0]=3 182 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)Br BBO000232 [0,1,0,0,0,0|2,0,0]=3 183 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)F BBO000050 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.13 CC1=C(C(=CC=C1)NC=O)C PH010206 [0,0,1,0,0,0|2,0,1]=4 185 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [0,0,1,0,0,0|2,0,1]=4 186 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [0,0,1,0,0,0|1,0,1]=3 187 B11R1.16 C=CCN(C)C1=CC=CC=C1 S438677 [0,0,1,0,0,0|1,0,1]=3 188 B11R1.16 CC(/C=N/O)C1=CC=CC=C1 S619094 [0,0,1,0,0,0|2,0,1]=4 189 B11R1.16 N#C/C=C(\Cl)/C1=CC=CC=C1 JRD0649 [0,0,1,0,0,0|2,0,1]=4 190 B11R1.16 N#C/C=C(\N)/C1=CC=CC=C1 PH006853 [0,0,1,0,0,0|2,0,1]=4 191 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [0,0,1,0,0,0|1,0,2]=4 192 B11R1.17 C=CCNC1=CC=CC=C1C S432768 [0,0,1,0,0,0|1,0,1]=3 193 B11R1.17 C=CCOC1=CC=CC=C1C S432911 [0,0,1,0,0,0|1,0,1]=3 194 B11R1.17 C=CCOC1=CC=CC=C1Cl S544744 [0,0,1,0,0,0|2,0,1]=4 195 B11R1.17 C=CCSC1=CC=CC=C1N PH000451 [0,0,1,0,0,0|2,0,1]=4 196 B11R1.17 N#C/C=C/C1=CC=CC=C1I S849502 [0,0,1,0,0,0|2,0,1]=4 197 B11R1.17 N#CC=CC1=CC=CC=C1Cl S428108 [0,0,1,0,0,0|2,0,1]=4 198 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [0,0,1,0,0,0|1,0,1]=3 199 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [0,0,1,0,0,0|1,0,1]=3 200 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [0,0,1,0,0,0|0,0,2]=3 201 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [0,0,1,0,0,0|1,0,2]=4 202 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [0,0,1,0,0,0|1,0,1]=3 203 B11R1.28 Cl/C=C/CSC1=CC=CC=C1 S722243 [0,0,1,0,0,0|2,0,1]=4 204 B11R1.28 O/N=C/C=C/C1=CC=CC=C1 S566209 [0,0,1,0,0,0|2,0,0]=3 205 B11R1.41 C(=N/O)\C1=CC=CC=C1OC S922153 [0,0,1,0,0,0|3,0,0]=4 206 B11R1.41 CCC1=C(C=CC=C1)NC=O S623350 [0,0,1,0,0,0|2,0,1]=4 207 B11R1.53 C=CC1=CC=CC=C1B(O)O CDS001023 [0,0,1,0,0,0|3,0,0]=4 208 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [0,0,1,0,0,0|2,0,0]=3 209 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N CDS017334 [0,0,1,0,0,0|2,0,1]=4 210 B11R1.53 CC(C)C1=CC=CC=C1C=O CDS004427 [0,0,1,0,0,0|1,0,2]=4 211 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [0,0,1,0,0,0|3,0,0]=4 212 B11R1.605 C(=O)NC1=C(C=CC=C1C)C S396656 [0,0,1,0,0,0|2,0,1]=4 213 B11R1.605 C(=O)NC1=C(C=CC=C1C)Cl S625477 [0,0,1,0,0,0|3,0,0]=4 214 B11R1.605 CC1=CC=CC(=C1/C=N/O)C S670960 [0,0,1,0,0,0|2,0,1]=4 215 B13R3.1962 C1=CC2=C(C=C1)C3C=CC2C3 S792225 [0,0,0,1,0,0|0,0,2]=3 216 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,0,0,0,1,0|2,0,0]=3 217 B11R2.1 CC1=CN=C2N1C=CC=C2 SYX00420 [0,0,0,0,1,0|2,0,0]=3 218 B11R2.1 CC1=CSC2[NH+]1C=CC=C2 S697168 [0,0,0,0,1,0|2,0,1]=4 219 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,0,0,0,1,0|2,0,0]=3 220 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,0,0,0,1,0|2,0,0]=3 221 B11R2.1 CN1C=NC2=CC=CN=C12 ADE001232 [0,0,0,0,1,0|3,0,0]=4 222 B11R2.1 C[N+]1=CSC2=CC=CC=C12 R785695 [0,0,0,0,1,0|2,0,0]=3 223 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,0,0,0,1,0|3,0,0]=4 224 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [0,0,0,0,1,0|3,0,0]=4 225 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [0,0,0,0,1,0|3,0,0]=4 226 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,0,0,0,1,0|3,0,0]=4 227 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,0,0,0,1,0|3,0,0]=4 228 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,0,0,0,1,0|2,0,1]=4 229 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,0,0,0,1,0|3,0,0]=4 230 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,0,0,0,1,0|2,0,0]=3 231 B11R2.1 [O-][N+]1=CNC2=C1C=CC=C2 R429619 [0,0,0,0,1,0|3,0,0]=4 232 B11R2.106 BrC1=CC=CC2=C1OC=C2 CDS022937 [0,0,0,0,1,0|2,0,0]=3 233 B11R2.106 BrC1=CN=CC2=C1C=CN2 CDS023625 [0,0,0,0,1,0|3,0,0]=4 234 B11R2.106 CC1=C2C=NNC2=CC=C1 CBR00232 [0,0,0,0,1,0|2,0,0]=3 235 B11R2.106 CC1=C2NN=CC2=CC=C1 CBR00226 [0,0,0,0,1,0|2,0,0]=3 236 B11R2.106 CC1=CC=CC2=N[Se]N=C12 S30687 [0,0,0,0,1,0|3,0,0]=4 237 B11R2.106 CC1=CN=CC2=C1NN=C2 BLN00046 [0,0,0,0,1,0|3,0,0]=4 238 B11R2.106 ClC1=C2NC=CC2=CC=N1 ADE001012 [0,0,0,0,1,0|3,0,0]=4 239 B11R2.106 ClC1=CC=CC2=C1C=NN2 BML00245 [0,0,0,0,1,0|3,0,0]=4 240 B11R2.106 ClC1=NC=CC2=C1C=CN2 ADE000994 [0,0,0,0,1,0|3,0,0]=4 241 B11R2.106 ClC1=NC=CN2C1=CC=C2 SYX00428 [0,0,0,0,1,0|3,0,0]=4 242 B11R2.106 IC1=C2C=CNC2=NC=C1 ADE000928 [0,0,0,0,1,0|3,0,0]=4 243 B11R2.106 NC1=C2C=CNC2=NC=C1 ADE000973 [0,0,0,0,1,0|3,0,0]=4 244 B11R2.106 NC1=C2OC=CC2=NC=C1 ADE001178 [0,0,0,0,1,0|3,0,0]=4 245 B11R2.106 NC1=CC=CC2=NC=CN12 CDS016722 [0,0,0,0,1,0|3,0,0]=4 246 B11R2.106 O=C1NC=CC2=C1OC=C2 SYX00434 [0,0,0,0,1,0|3,0,0]=4 247 B11R2.106 O=C1NC=CN2C1=CC=C2 SYX00423 [0,0,0,0,1,0|3,0,0]=4 248 B11R2.106 OC1=C2C=CNC2=NC=C1 ADE000935 [0,0,0,0,1,0|3,0,0]=4 249 B11R2.106 OC1=CC=CC2=C1N=CN2 CDS008334 [0,0,0,0,1,0|3,0,0]=4 250 B11R2.106 OC1=CC=CC2=C1N=CO2 CDS009144 [0,0,0,0,1,0|3,0,0]=4 251 B11R2.106 OC1=CC=CC2=C1NC=C2 CDS005198 [0,0,0,0,1,0|2,0,0]=3 252 B11R2.106 OC1=NC=CC2=C1C=CO2 CVT00122 [0,0,0,0,1,0|3,0,0]=4 253 B11R2.106 [O-][N+]1=C2NC=CC2=CC=C1 PH009705 [0,0,0,0,1,0|3,0,0]=4 254 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [1,0,1,0,0,0|2,0,0]=4 255 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [1,0,1,0,0,0|2,0,0]=4 256 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [1,0,1,0,0,0|2,0,0]=4 257 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [1,0,1,0,0,0|1,0,0]=3 258 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [1,0,1,0,0,0|1,0,0]=3 259 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [1,0,1,0,0,0|1,0,1]=4 260 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [1,0,1,0,0,0|1,0,0]=3 261 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [1,0,1,0,0,0|1,0,1]=4 262 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [1,0,1,0,0,0|1,0,0]=3 263 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [1,0,1,0,0,0|1,0,1]=4 264 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [1,0,1,0,0,0|1,0,0]=3 265 B10R1.245 CC1=C(C(=CC=C1)Br)C=O CDS024325 [1,0,1,0,0,0|2,0,0]=4 266 B12R1.30 C=CCNC(=O)C1=CC=CC=C1 S884553 [0,1,1,0,0,0|1,0,1]=4 267 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 S437867 [0,1,1,0,0,0|1,0,1]=4 268 B12R1.30 C=CCON(C)C1=CC=CC=C1 S663255 [0,1,1,0,0,0|1,0,1]=4 269 B12R1.30 CN/C=C/C(=O)C1=CC=CC=C1 S732370 [0,1,1,0,0,0|1,0,1]=4 270 B12R1.30 O=C(/C=C/O[Na])C1=CC=CC=C1 TMT00060 [0,1,1,0,0,0|2,0,0]=4 271 B12R1.39 C=CCC(C)(O)C1=CC=CC=C1 S837326 [0,1,1,0,0,0|0,0,2]=4 272 B12R1.39 C=CC[Si](C)(C)C1=CC=CC=C1 T274232 [0,1,1,0,0,0|0,1,1]=4 273 B12R1.107 C/C(=C/C(C)C)/C1=CC=CC=C1 S674036 [0,1,1,0,0,0|0,0,2]=4 274 B12R1.107 C/C(=C\C(=O)N)/C1=CC=CC=C1 PH007020 [0,1,1,0,0,0|1,0,0]=3 275 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [0,1,1,0,0,0|1,0,0]=3 276 B12R1.107 C=C(Cl)CN(C)C1=CC=CC=C1 R226874 [0,1,1,0,0,0|1,0,1]=4 277 B12R1.308 C=COC(=O)C1=CC=CC=C1O S375306 [0,1,1,0,0,0|2,0,0]=4 278 B12R1.121 C=CCOC1=CC=CC=C1CO CDS022711 [0,1,1,0,0,0|1,0,1]=4 279 B12R1.121 C=CCOC1=CC=CC=C1OC S340782 [0,1,1,0,0,0|1,0,1]=4 280 B12R1.125 C=C(C)CSC1=CC=CC=C1C S722219 [0,1,1,0,0,0|1,0,1]=4 281 B12R1.125 NC1=C(C=CC=C1)/C=C/C(=O)O PH011123 [0,1,1,0,0,0|2,0,0]=4 282 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl PH010874 [0,1,1,0,0,0|2,0,0]=4 283 B12R1.267 C/C=C/CSC1=CC=CC=C1C S746231 [0,1,1,0,0,0|0,0,2]=4 284 B12R1.374 C=CCOC1=CC(=CC=C1C)C PH007948 [0,1,1,0,0,0|1,0,1]=4 285 B12R1.1631 O=C/C=C/C1=C(C=CC=C1F)F CDS020168 [0,1,1,0,0,0|2,0,0]=4 286 B12R1.382 COC1=CC=CC(=C1)/C=C/C#N PH011241 [0,1,1,0,0,0|1,0,1]=4 287 B12R1.1 C/C=C/CNC1=CC=C(C=C1)C S344818 [0,1,1,0,0,0|1,0,1]=4 288 B12R1.1 CCC/C=C/C1=CC=C(C=C1)Cl PH008528 [0,1,1,0,0,0|0,0,2]=4 289 B12R1.27 C/C(=N\O)/C=C/C1=CC=CC=C1 R396273 [0,1,1,0,0,0|2,0,0]=4 290 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [0,1,1,0,0,0|0,0,1]=3 291 B12R1.27 COC(=O)C=CC1=CC=NC=C1 S409413 [0,1,1,0,0,0|2,0,0]=4 292 B12R1.32 C/C(=C\C1=CC=CC=C1)/C=N/O S626856 [0,1,1,0,0,0|2,0,0]=4 293 B12R1.252 CC(=C/C=C/C1=CC=CC=C1)C S881589 [0,1,1,0,0,0|0,0,0]=2 294 B12R1.252 CC(=CCOC1=CC=CC=C1)C S134643 [0,1,1,0,0,0|1,0,1]=4 295 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 S364789 [0,1,1,0,0,0|2,0,0]=4 296 B12R1.252 CC(=O)N/N=C/C1=CC=CC=C1 S872245 [0,1,1,0,0,0|2,0,0]=4 297 B12R1.252 CN(C)C/C=C/C1=CC=CC=C1 S933392 [0,1,1,0,0,0|1,0,1]=4 298 B12R1.283 C=CCC1=CC=CC=C1C(=O)O CDS019640 [0,1,1,0,0,0|1,0,1]=4 299 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 PH011260 [1,1,0,0,0,0|2,0,0]=4 300 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [1,1,0,0,0,0|1,0,0]=3 301 B12R2.24 CC1=NC2=C(C=C1)C=NC=C2 PH008439 [1,1,0,0,0,0|2,0,0]=4 302 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ADE000831 [1,1,0,0,0,0|2,0,0]=4 303 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 S619213 [1,1,0,0,0,0|1,0,0]=3 304 B12R2.24 ClC1=CC2=C(C=CC=C2)C=N1 PH006843 [1,1,0,0,0,0|1,0,0]=3 305 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [1,1,0,0,0,0|1,0,0]=3 306 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [1,1,0,0,0,0|1,0,0]=3 307 B12R2.24 ClC1=NC2=C(C=CC=C2)C=N1 UPL0037 [1,1,0,0,0,0|2,0,0]=4 308 B12R2.24 IC1=CN=C2C=CC=NC2=C1 ADE000848 [1,1,0,0,0,0|2,0,0]=4 309 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [1,1,0,0,0,0|0,0,0]=2 310 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [1,1,0,0,0,0|1,0,0]=3 311 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [1,1,0,0,0,0|1,0,0]=3 312 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [1,1,0,0,0,0|1,0,0]=3 313 B12R2.24 NC1=CC=C2C=NC=CC2=N1 CDS006673 [1,1,0,0,0,0|2,0,0]=4 314 B12R2.24 NC1=CN=C2C=CC=NC2=C1 ADE000870 [1,1,0,0,0,0|2,0,0]=4 315 B12R2.24 NC1=NC=C2C=CC=CC2=N1 CDS008332 [1,1,0,0,0,0|2,0,0]=4 316 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [1,1,0,0,0,0|1,0,0]=3 317 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [1,1,0,0,0,0|1,0,0]=3 318 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [1,1,0,0,0,0|2,0,0]=4 319 B12R2.1 BrCC1=CSC2=C1C=CC=C2 CDS020684 [0,1,0,0,1,0|1,0,0]=3 320 B12R2.1 BrCC1=NOC2=CC=CC=C12 CDS008319 [0,1,0,0,1,0|2,0,0]=4 321 B12R2.1 CC[N+]1=CSC2=C1C=CC=C2 S32981 [0,1,0,0,1,0|2,0,0]=4 322 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH012845 [0,1,0,0,1,0|2,0,0]=4 323 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH019064 [0,1,0,0,1,0|2,0,0]=4 324 B12R2.1 NCC1=CNC2=C1C=CC=C2 CDS020852 [0,1,0,0,1,0|1,0,0]=3 325 B12R2.1 NCC1=CSC2=C1C=CC=C2 CDS018595 [0,1,0,0,1,0|1,0,0]=3 326 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS009727 [0,1,0,0,1,0|2,0,0]=4 327 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS022347 [0,1,0,0,1,0|2,0,0]=4 328 B12R2.1 OCC1=CSC2=C1C=CC=C2 PH014781 [0,1,0,0,1,0|1,0,0]=3 329 B12R2.18 C=C1SC2=C(N1C)C=CC=C2 PH003997 [0,1,0,0,1,0|2,0,0]=4 330 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S439762 [0,1,0,0,1,0|2,0,0]=4 331 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S570850 [0,1,0,0,1,0|2,0,0]=4 332 B12R2.18 CN1C(=N)SC2=C1C=CC=C2 R306630 [0,1,0,0,1,0|2,0,0]=4 333 B12R2.18 CN1C(=NC2=C1C=CC=C2)N S11372 [0,1,0,0,1,0|2,0,0]=4 334 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [0,1,0,0,1,0|2,0,0]=4 335 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 TMT00405 [0,1,0,0,1,0|2,0,0]=4 336 B12R2.18 C[N+]1=C(SC2=C1C=CC=C2)Cl S764973 [0,1,0,0,1,0|2,0,0]=4 337 B12R2.132 CC1=CNC2=C1C=C(C=C2)Cl PHB00308 [0,1,0,0,1,0|1,0,0]=3 338 B12R2.132 CC1=CSC2=CC=C(C=C12)Br CDS015937 [0,1,0,0,1,0|1,0,0]=3 339 B12R2.132 CC1=NOC2=CC=C(C=C12)Br CDS009348 [0,1,0,0,1,0|2,0,0]=4 340 B12R2.132 CN1C=NC2=CC=C(C=C12)Br CDS008133 [0,1,0,0,1,0|2,0,0]=4 341 B12R2.132 CN1C=NC2=CC=C(C=C12)N CDS019276 [0,1,0,0,1,0|2,0,0]=4 342 B12R2.132 CN1N=CC2=CC=C(C=C12)N CDS009694 [0,1,0,0,1,0|2,0,0]=4 343 B12R2.196 CC1=CNC2=C(C=CC=C12)Br T117943 [0,1,0,0,1,0|1,0,0]=3 344 B12R2.196 CN1C=CC2=C(C=CC=C12)N CDS005244 [0,1,0,0,1,0|1,0,0]=3 345 B12R2.196 CN1C=CC2=C(C=CN=C12)Cl CDS023532 [0,1,0,0,1,0|2,0,0]=4 346 B12R2.203 CC1=CN=C2N1C(=CC=C2)N SYX00144 [0,1,0,0,1,0|2,0,0]=4 347 B12R2.203 CN1N=CC2=CC=CC(=C12)Br SYX00127 [0,1,0,0,1,0|2,0,0]=4 348 B12R2.612 CC1=NNC2=C1C=CC(=C2)I PHB00239 [0,1,0,0,1,0|2,0,0]=4 349 B12R2.612 CC1=NOC2=CC(=CC=C12)Br CDS003558 [0,1,0,0,1,0|2,0,0]=4 350 B12R2.612 CN1C=CC2=C1C=CC(=C2)N CDS014563 [0,1,0,0,1,0|1,0,0]=3 351 B12R2.612 CN1C=CC2=CC(=CN=C12)O ADE000927 [0,1,0,0,1,0|2,0,0]=4 352 B12R2.612 CN1C=NC2=CC(=CC=C12)Br CDS023161 [0,1,0,0,1,0|2,0,0]=4 353 B12R2.2028 CC1=CN(C2=C1C=CC=C2)C S705845 [0,1,0,0,1,0|1,0,0]=3 354 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [0,1,0,0,1,0|1,0,1]=4 355 B12R2.2028 O=C1SC(=O)C2=C1C=CC=C2 PH009710 [0,1,0,0,1,0|2,0,0]=4 356 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 R426687 [0,1,0,0,1,0|2,0,0]=4 357 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 S852414 [0,1,0,0,1,0|2,0,0]=4 358 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 S984302 [0,1,0,0,1,0|2,0,0]=4 359 B12R2.82 CC1=C2C=CNC2=NC=C1Cl ADE000993 [0,1,0,0,1,0|2,0,0]=4 360 B12R2.82 CC1=C2C=CNC2=NC=C1F ADE001062 [0,1,0,0,1,0|2,0,0]=4 361 B12R2.202 CC1=CC2=CC=CC(=C2O1)N CBR00813 [0,1,0,0,1,0|2,0,0]=4 362 B12R2.202 O=C1C=C2C(=CC=CC2=N1)F CDS021261 [0,1,0,0,1,0|2,0,0]=4 363 B12R2.221 CC1=CC=C(C2=C1C=NN2)N CDS016575 [0,1,0,0,1,0|2,0,0]=4 364 B12R2.246 CC1=CC(=CC2=C1C=NN2)Br CDS022566 [0,1,0,0,1,0|2,0,0]=4 365 B12R2.246 CC1=CC(=CC2=C1N=CN2)Cl L480681 [0,1,0,0,1,0|2,0,0]=4 366 B12R2.246 CC1=CC(=CN2C1=NC=C2)Br CBR02032 [0,1,0,0,1,0|2,0,0]=4 367 B12R2.246 NC1=CC(=CC2=C1NC=C2)Br CDS015232 [0,1,0,0,1,0|2,0,0]=4 368 B12R2.315 COC1=C2C=CNC2=CN=C1 ADE001011 [0,1,0,0,1,0|2,0,0]=4 369 B12R2.315 COC1=C2C=CNC2=NC=C1 ADE000907 [0,1,0,0,1,0|2,0,0]=4 370 B12R2.315 N#CC1=CC=CC2=C1NC=C2 CDS008484 [0,1,0,0,1,0|1,0,1]=4 371 B12R2.315 OCC1=CC=CC2=C1C=CN2 CDS004744 [0,1,0,0,1,0|1,0,0]=3 372 B12R2.315 OCC1=CC=CC2=C1NC=C2 CDS008595 [0,1,0,0,1,0|1,0,0]=3 373 B14R2.738 CC1=NC2=C(C=CC=C2)N=C(C1)C R174289 [0,1,0,0,0,1|1,0,1]=4 374 B14R2.738 N1C(=CC(=NC2=C1C=CC=C2)C)C L160156 [0,1,0,0,0,1|1,0,0]=3 375 B14R2.738 N1C(=CC(=NC2=C1C=CC=C2)C)C S32825 [0,1,0,0,0,1|1,0,0]=3 376 B14R2.741 O=C1C=CC2=CC=CC=C2C=C1O T276758 [0,1,0,0,0,1|1,0,0]=3 377 B14R2.2014 O/N=C/1\C=CC=CC2=CC=CC=C12 T176508 [0,1,0,0,0,1|1,0,0]=3 378 B14R2.92 CCN1C=CC2=C(C1=S)C=CC=C2 L202746 [0,2,0,0,0,0|2,0,0]=4 379 B14R2.92 COC1=C(C2=C(C=C1)C=NC=C2)Br PH018816 [0,2,0,0,0,0|2,0,0]=4 380 B14R2.92 COC1=C(C2=C(C=CC=C2)C=C1)I R268720 [0,2,0,0,0,0|1,0,0]=3 381 B14R2.92 O=C1C(=COC2=CC=CC=C12)CO PH007744 [0,2,0,0,0,0|2,0,0]=4 382 B14R2.92 O=CC1=C(C2=NC=CC=C2C=C1)O CDS023260 [0,2,0,0,0,0|2,0,0]=4 383 B14R2.92 O=CC1=CC=C2C=CC=CC2=C1O CDS000044 [0,2,0,0,0,0|1,0,0]=3 384 B14R2.203 CCN1C(=O)C=CC2=C1C=CC=C2 S982296 [0,2,0,0,0,0|1,0,0]=3 385 B14R2.203 CC[N+]1=C(C=CC2=C1C=CC=C2)C S920290 [0,2,0,0,0,0|1,0,0]=3 386 B14R2.743 CC1(C(=O)C=CC2=C1C=CC=C2)O S956015 [0,2,0,0,0,0|0,0,1]=3 387 B14R2.4513 CC1=CC2=C(C=C1)OC=C(C2=O)Br JRD1474 [0,2,0,0,0,0|2,0,0]=4 388 B14R2.4513 CC1=CC=C2C=CC(=C(C2=N1)C)Br BBO000612 [0,2,0,0,0,0|1,0,0]=3 389 B14R2.4513 CC1=CC=C2OC=C(C(=O)C2=C1)C JRD0423 [0,2,0,0,0,0|2,0,0]=4 390 B14R2.4513 CC1=COC2=C(C1=O)C=C(C=C2)Cl JRD1304 [0,2,0,0,0,0|2,0,0]=4 391 B14R2.4513 CC1=COC2=CC=C(C=C2C1=O)Br JRD0424 [0,2,0,0,0,0|2,0,0]=4 392 B14R2.4513 CC1=COC2=CC=C(C=C2C1=O)F JRD0425 [0,2,0,0,0,0|2,0,0]=4 393 B14R2.4513 ClC1=C(C2=CC(=CC=C2N=C1)Br)Cl BBO000617 [0,2,0,0,0,0|2,0,0]=4 394 B14R2.4513 ClC1=C(C=NC2=CC=C(C=C12)Br)Br BBO000337 [0,2,0,0,0,0|2,0,0]=4 395 B14R2.4513 FC1=CC=C2N=CC(=C(C2=C1)Br)Cl BBO000623 [0,2,0,0,0,0|2,0,0]=4 396 B14R2.4513 FC1=CC=C2N=CC(=C(C2=C1)Cl)Br BBO000335 [0,2,0,0,0,0|2,0,0]=4 397 B14R2.4513 FC1=CC=C2N=CC(=C(C2=C1)Cl)Cl BBO000336 [0,2,0,0,0,0|2,0,0]=4 398 B14R2.4513 O=C1C(=COC2=CC=C(C=C12)Br)Br IDF00137 [0,2,0,0,0,0|2,0,0]=4 399 B14R2.4513 O=C1C(=COC2=CC=C(C=C12)Cl)Br IDF00068 [0,2,0,0,0,0|2,0,0]=4 400 B14R2.7724 CC1=CC(=O)N(C2=C1C=CC=C2)C PH005171 [0,2,0,0,0,0|1,0,0]=3 401 B14R2.7724 CC1=[N+](C2=C(C=CC=C2)C(=C1)Cl)C S512214 [0,2,0,0,0,0|1,0,0]=3 402 B14R2.7724 CC1=[N+](C2=C(C=CC=C2)C(=C1)Cl)C S515639 [0,2,0,0,0,0|1,0,0]=3 403 B14R2.7724 CC1C(=O)NC(=O)C2=C1C=CC=C2 T153575 [0,2,0,0,0,0|1,0,1]=4 404 B14R2.7724 CN1C(=O)CC(=O)C2=CC=CC=C12 T323713 [0,2,0,0,0,0|1,0,1]=4 405 B14R2.7724 NC1=C(C=C(C2=C1C=CC=C2)Br)Br S860042 [0,2,0,0,0,0|1,0,0]=3 406 B14R2.7724 NC1=C(C=C(C2=C1N=CC=C2)Br)Br S197874 [0,2,0,0,0,0|2,0,0]=4 407 B14R2.7724 OC1=C(C=C(C2=C1C=CC=C2)Br)Br PH011201 [0,2,0,0,0,0|1,0,0]=3 408 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)Cl)Br BBO000313 [0,2,0,0,0,0|1,0,0]=3 409 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)N)Br BBO000604 [0,2,0,0,0,0|1,0,0]=3 410 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)O)Br BBO000312 [0,2,0,0,0,0|1,0,0]=3 411 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)O)Cl BBO000715 [0,2,0,0,0,0|1,0,0]=3 412 B14R2.8038 CC1=C2N=CC=C(C2=CC=C1Cl)Cl BBO000148 [0,2,0,0,0,0|1,0,0]=3 413 B14R2.8038 CC1=C2N=CC=C(C2=CC=C1Cl)N BBO000158 [0,2,0,0,0,0|1,0,0]=3 414 B14R2.8038 CC1=CC=C2C(=CC=NC2=C1C)Cl BBO000170 [0,2,0,0,0,0|1,0,0]=3 415 B14R2.8038 CC1=CC=C2C(=CC=NC2=C1C)O BBO000049 [0,2,0,0,0,0|1,0,0]=3 416 B14R2.8038 ClC1=C(C2=NC=CC(=C2C=C1)Br)Cl BBO000594 [0,2,0,0,0,0|2,0,0]=4 417 B14R2.8038 ClC1=CC=NC2=C(C(=CC=C12)Cl)Cl BBO000146 [0,2,0,0,0,0|2,0,0]=4 418 B14R2.8038 FC1=C(C2=NC=CC(=C2C=C1)Br)F BBO000602 [0,2,0,0,0,0|2,0,0]=4 419 B14R2.8038 FC1=C(C2=NC=CC(=C2C=C1)Cl)F BBO000601 [0,2,0,0,0,0|2,0,0]=4 420 B14R2.8038 FC1=C2N=CC(=C(C2=CC=C1)Br)Cl BBO000625 [0,2,0,0,0,0|2,0,0]=4 421 B14R2.8038 FC1=C2N=CC(=C(C2=CC=C1)Cl)Cl BBO000616 [0,2,0,0,0,0|2,0,0]=4 422 B14R2.8038 NC1=C2C=CC(=C(C2=NC=C1)F)F BBO000603 [0,2,0,0,0,0|2,0,0]=4 423 B14R2.8038 NC1=CC=NC2=C(C(=CC=C12)Cl)Cl BBO000155 [0,2,0,0,0,0|2,0,0]=4 424 B14R2.8038 OC1=C(C=NC2=C(C=CC=C12)Br)Br BBO000329 [0,2,0,0,0,0|2,0,0]=4 425 B14R2.8038 OC1=C(C=NC2=C(C=CC=C12)F)Br BBO000327 [0,2,0,0,0,0|2,0,0]=4 426 B14R2.8038 OC1=C2C=CC(=C(C2=NC=C1)F)F BBO000301 [0,2,0,0,0,0|2,0,0]=4 427 B14R2.8188 CC1=C(C(=C2C=CC=NC2=N1)C)Br T314560 [0,2,0,0,0,0|2,0,0]=4 428 B14R2.8188 CC1=CC2=C(C=CC=C2)C(=C1C)I R268623 [0,2,0,0,0,0|1,0,0]=3 429 B14R2.8188 CC1=NC2=C(C=CC=C2)N(C1=O)C PH009988 [0,2,0,0,0,0|2,0,0]=4 430 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Br)Cl BBO000651 [0,2,0,0,0,0|2,0,0]=4 431 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Br)N CDS022707 [0,2,0,0,0,0|2,0,0]=4 432 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Cl)Br BBO000648 [0,2,0,0,0,0|2,0,0]=4 433 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C12 CBR00312 [0,2,0,0,0,0|2,0,0]=4 434 B14R2.8188 O=C1OC2=C(C=CC=C2)C(=C1Br)O PH011265 [0,2,0,0,0,0|2,0,0]=4 435 B14R2.29369 CC1=CC2=C(C=C1)C(=C(C=C2)C)I R269794 [0,2,0,0,0,0|1,0,0]=3 436 B14R2.29369 CC1=CC2=C(C=C1)C(=C(C=C2)C)N R268771 [0,2,0,0,0,0|1,0,0]=3 437 B14R2.29369 CC1=CC=C2C(=N1)C=CC(=C2N)C T319848 [0,2,0,0,0,0|2,0,0]=4 438 B14R2.29369 ClC1=C(C2=CC=C(C=C2N=C1)Br)Cl BBO000618 [0,2,0,0,0,0|2,0,0]=4 439 B14R2.29369 FC1=CC=C2C(=C1)N=CC(=C2Br)Cl BBO000624 [0,2,0,0,0,0|2,0,0]=4 440 B14R2.29369 FC1=CC=C2C(=C1)N=CC(=C2Cl)Cl BBO000615 [0,2,0,0,0,0|2,0,0]=4 441 B14R2.29369 OC1=C(C=NC2=CC(=CC=C12)Br)Br BBO000328 [0,2,0,0,0,0|2,0,0]=4 442 B14R2.29369 OC1=C(C=NC2=CC(=CC=C12)Br)Cl BBO000613 [0,2,0,0,0,0|2,0,0]=4 443 B14R2.142 CCC1=CC=C2N=CC=C(C2=C1)N BBO000154 [0,2,0,0,0,0|2,0,0]=4 444 B14R2.142 CCC1=CC=C2N=CC=C(C2=C1)O BBO000208 [0,2,0,0,0,0|2,0,0]=4 445 B14R2.142 COC1=CC2=C(C=C1)N=CC=C2C BBO000710 [0,2,0,0,0,0|1,0,0]=3 446 B14R2.142 COC1=CC2=C(C=C1)N=CC=C2Cl BBO000696 [0,2,0,0,0,0|2,0,0]=4 447 B14R2.142 COC1=CC2=C(C=C1)OC=CC2=O PH000375 [0,2,0,0,0,0|2,0,0]=4 448 B14R2.142 COC1=CC=C2N=CC=C(C2=C1)Br BBO000237 [0,2,0,0,0,0|2,0,0]=4 449 B14R2.142 COC1=CC=C2N=CC=C(C2=C1)N BBO000076 [0,2,0,0,0,0|2,0,0]=4 450 B14R2.142 COC1=CC=C2N=CC=C(C2=C1)O BBO000055 [0,2,0,0,0,0|2,0,0]=4 451 B14R2.8045 CC1=C2N=CC=C(C2=CC(=C1)Cl)Br BBO000235 [0,2,0,0,0,0|1,0,0]=3 452 B14R2.8045 CC1=C2N=CC=C(C2=CC(=C1)Cl)Cl BBO000144 [0,2,0,0,0,0|1,0,0]=3 453 B14R2.8045 CC1=C2N=CC=C(C2=CC(=C1)Cl)O BBO000032 [0,2,0,0,0,0|1,0,0]=3 454 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)Br)Br BBO000286 [0,2,0,0,0,0|2,0,0]=4 455 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)C)Br CDS020781 [0,2,0,0,0,0|1,0,0]=3 456 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)F)Br BBO000285 [0,2,0,0,0,0|2,0,0]=4 457 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)N)C T327395 [0,2,0,0,0,0|1,0,0]=3 458 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)Cl)C BBO000167 [0,2,0,0,0,0|1,0,0]=3 459 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)N)Cl BBO000160 [0,2,0,0,0,0|2,0,0]=4 460 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)O)C BBO000048 [0,2,0,0,0,0|1,0,0]=3 461 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)O)Cl BBO000037 [0,2,0,0,0,0|2,0,0]=4 462 B14R2.8045 CC1=CC(=CC2=C(C=CN=C12)Cl)Br BBO000310 [0,2,0,0,0,0|1,0,0]=3 463 B14R2.8045 CC1=CC(=CC2=C(C=CN=C12)N)Cl BBO000763 [0,2,0,0,0,0|1,0,0]=3 464 B14R2.8045 CC1=CC(=CC2=C(C=CN=C12)N)Cl CDS019164 [0,2,0,0,0,0|1,0,0]=3 465 B14R2.8045 CC1=CC(=NC2=C1C=CC=C2C)O S376183 [0,2,0,0,0,0|1,0,0]=3 466 B14R2.8045 CC1=CC2=C(C=CN=C2C(=C1)Br)Cl BBO000314 [0,2,0,0,0,0|2,0,0]=4 467 B14R2.8045 CC1=CC=CC2=C1NC(=O)NC2=O T315990 [0,2,0,0,0,0|2,0,0]=4 468 B14R2.8045 CC1=CC=C[N+]2=C1N=C(C=C2C)C R606456 [0,2,0,0,0,0|2,0,0]=4 469 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)Br BBO000020 [0,2,0,0,0,0|2,0,0]=4 470 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)C BBO000026 [0,2,0,0,0,0|1,0,0]=3 471 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)F BBO000175 [0,2,0,0,0,0|2,0,0]=4 472 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)Br BBO000073 [0,2,0,0,0,0|2,0,0]=4 473 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)C BBO000075 [0,2,0,0,0,0|1,0,0]=3 474 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)F CBR01404 [0,2,0,0,0,0|2,0,0]=4 475 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)Br BBO000223 [0,2,0,0,0,0|2,0,0]=4 476 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)C BBO000042 [0,2,0,0,0,0|1,0,0]=3 477 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)F BBO000053 [0,2,0,0,0,0|2,0,0]=4 478 B14R2.8045 CC1=NC2=C(C=CC=C2Cl)C(=C1)O BBO000698 [0,2,0,0,0,0|2,0,0]=4 479 B14R2.8045 FC1=CC2=C(C=CN=C2C(=C1)F)Cl BBO000309 [0,2,0,0,0,0|2,0,0]=4 480 B14R2.8045 NC1=CC=NC2=C(C=C(C=C12)Cl)Cl BBO000761 [0,2,0,0,0,0|2,0,0]=4 481 B14R2.8045 NC1=CC=NC2=C(C=C(C=C12)Cl)Cl CDS017170 [0,2,0,0,0,0|2,0,0]=4 482 B14R2.8045 O=C1C=COC2=C(C=C(C=C12)Cl)Br IDF00069 [0,2,0,0,0,0|2,0,0]=4 483 B14R2.8045 O=C1C=COC2=C1C=C(C=C2Cl)Cl IDF00033 [0,2,0,0,0,0|2,0,0]=4 484 B14R2.8045 OC1=CC=NC2=C(C=C(C=C12)Cl)Cl BBO000178 [0,2,0,0,0,0|2,0,0]=4 485 B14R2.8235 CC1=C2C=C(C=CC2=NC(=C1)Cl)Br BBO000343 [0,2,0,0,0,0|1,0,0]=3 486 B14R2.8235 CC1=CC(=C2C=C(C=CC2=N1)Cl)Br CDS023550 [0,2,0,0,0,0|2,0,0]=4 487 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)Cl)Br BBO000657 [0,2,0,0,0,0|1,0,0]=3 488 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)O)O BBO000044 [0,2,0,0,0,0|1,0,0]=3 489 B14R2.8235 CC1=CC(=NC2=[N+]1C=C(C=C2)Br)C S29883 [0,2,0,0,0,0|2,0,0]=4 490 B14R2.8235 CC1=CC(=O)C2=C(O1)C=CC(=C2)Cl JRD1495 [0,2,0,0,0,0|2,0,0]=4 491 B14R2.8235 CC1=CC2=C(C=C1)N=C(C=C2C)C S356719 [0,2,0,0,0,0|1,0,0]=3 492 B14R2.8235 CC1=CC2=C(C=C1)N=C(C=C2C)O S376191 [0,2,0,0,0,0|1,0,0]=3 493 B14R2.8235 CC1=CC2=C(C=C1)OC(=CC2=O)C S392618 [0,2,0,0,0,0|2,0,0]=4 494 B14R2.8235 CC1=CC2=C(C=C1)OC(=O)C=C2C S907189 [0,2,0,0,0,0|1,0,0]=3 495 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)C)Br BBO000655 [0,2,0,0,0,0|1,0,0]=3 496 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)Cl)C BBO000025 [0,2,0,0,0,0|2,0,0]=4 497 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)N)C BBO000736 [0,2,0,0,0,0|2,0,0]=4 498 B14R2.8235 CC1=NC2=C(C=C(C=C2)Cl)C(=C1)O BBO000708 [0,2,0,0,0,0|2,0,0]=4 499 B14R2.8235 CC1=NC2=C(C=C(C=C2)F)C(=C1)Cl PH003438 [0,2,0,0,0,0|2,0,0]=4 500 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Br)Br BBO000595 [0,2,0,0,0,0|2,0,0]=4 501 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Cl)Br BBO000022 [0,2,0,0,0,0|2,0,0]=4 502 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Cl)Cl BBO000070 [0,2,0,0,0,0|2,0,0]=4 503 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)Br BBO000074 [0,2,0,0,0,0|2,0,0]=4 504 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)Cl CBR01370 [0,2,0,0,0,0|2,0,0]=4 505 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)F BBO000077 [0,2,0,0,0,0|2,0,0]=4 506 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)O)Br BBO000245 [0,2,0,0,0,0|2,0,0]=4 507 B14R2.8235 NC1=CC2=C(C=C(C=C2N=C1)Cl)Cl BBO000646 [0,2,0,0,0,0|2,0,0]=4 508 B14R2.8235 O=C1C=C(C2=CC(=CC=C2O1)Br)O IDF00048 [0,2,0,0,0,0|2,0,0]=4 509 B14R2.8751 CC1=C2C=NC(=CC2=C(C=C1)F)N PH018812 [0,2,0,0,0,0|1,0,0]=3 510 B14R2.8751 CC1=CC=C2C(=CC=C(C2=N1)O)Cl PH008835 [0,2,0,0,0,0|2,0,0]=4 511 B14R2.8751 CC1=NC2=C(C=CC(=C2C=C1)Cl)C BBO000188 [0,2,0,0,0,0|1,0,0]=3 512 B14R2.8751 [O-][N+]1=CC=C(C2=C1C=C(C=C2)Cl)Cl T161608 [0,2,0,0,0,0|2,0,0]=4 513 B14R2.11684 CC1=CC=C2C=CC=C(C2=N1)NN PH018443 [0,2,0,0,0,0|2,0,0]=4 514 B14R2.11684 COC1=C2OC(=O)C=CC2=CC=C1 IDF00005 [0,2,0,0,0,0|1,0,0]=3 515 B14R2.11684 COC1=CC=CC2=C1N=C(C=C2)C S770345 [0,2,0,0,0,0|1,0,0]=3 516 B14R2.11684 COC1=CC=CC2=CC=C(N=C12)Cl CDS009012 [0,2,0,0,0,0|1,0,0]=3 517 B14R2.11684 NNC1=CC=NC2=C1C=C(C=C2)F PH018682 [0,2,0,0,0,0|2,0,0]=4 518 B14R2.11684 NNC1=CC=NC2=CC=C(C=C12)Br BBO000537 [0,2,0,0,0,0|2,0,0]=4 519 B14R2.11684 NNC1=CC=NC2=CC=C(C=C12)Cl BBO000538 [0,2,0,0,0,0|2,0,0]=4 520 B14R2.11684 NNC1=CC=NC2=CC=C(C=C12)F BBO000539 [0,2,0,0,0,0|2,0,0]=4 521 B14R2.28472 CC1=C(C=C2C(=CC=NC2=C1)Cl)C BBO000166 [0,2,0,0,0,0|2,0,0]=4 522 B14R2.28472 CC1=C(C=C2C(=CC=NC2=C1)N)C BBO000565 [0,2,0,0,0,0|2,0,0]=4 523 B14R2.28472 CC1=C(C=C2C(=CC=NC2=C1)O)C BBO000192 [0,2,0,0,0,0|2,0,0]=4 524 B14R2.28472 CC1=C(C=C2C(=O)C=COC2=C1)Cl IDF00013 [0,2,0,0,0,0|2,0,0]=4 525 B14R2.28472 CC1=CC2=C(C=CN=C2C=C1Br)Cl BBO000607 [0,2,0,0,0,0|2,0,0]=4 526 B14R2.28472 CC1=CC2=C(C=CN=C2C=C1Br)N BBO000608 [0,2,0,0,0,0|2,0,0]=4 527 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1Cl)C BBO000741 [0,2,0,0,0,0|1,0,0]=3 528 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1N)C BBO000544 [0,2,0,0,0,0|1,0,0]=3 529 B14R2.28472 CC1=CC2=NC=CC(=C2C=C1Br)Cl BBO000605 [0,2,0,0,0,0|2,0,0]=4 530 B14R2.28472 CC1=CC2=NC=CC(=C2C=C1Br)N BBO000606 [0,2,0,0,0,0|2,0,0]=4 531 B14R2.28472 ClC1=CC=NC2=CC(=C(C=C12)Cl)Cl BBO000143 [0,2,0,0,0,0|2,0,0]=4 532 B14R2.28472 NC1=CC=NC2=CC(=C(C=C12)Cl)Cl BBO000564 [0,2,0,0,0,0|2,0,0]=4 533 B14R2.1019 C[N+]1=CC(=CC2=CC=CC=C12)C#N R254789 [0,2,0,0,0,0|1,0,0]=3 534 B14R2.1019 O=CC1=NC2=CC=CC=C2C(=C1)O CDS009527 [0,2,0,0,0,0|2,0,0]=4 535 B14R2.1146 COC1=CC(=O)OC2=C1C=CC=C2 PH009702 [0,2,0,0,0,0|1,0,0]=3 536 B14R2.1146 CSC1=NC(=O)CC2=C1C=CC=C2 S761605 [0,2,0,0,0,0|1,0,1]=4 537 B14R2.1146 OC1=CC(=C2C=CC=CC2=N1)CBr PH015678 [0,2,0,0,0,0|1,0,0]=3 538 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)Cl)C BBO000165 [0,2,0,0,0,0|1,0,0]=3 539 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)N)C BBO000152 [0,2,0,0,0,0|1,0,0]=3 540 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)O)C BBO000043 [0,2,0,0,0,0|1,0,0]=3 541 B14R2.28480 CC1=CC(=O)C2=C(N1)C=CC=C2C R261815 [0,2,0,0,0,0|1,0,0]=3 542 B14R2.28480 CC1=CC(=O)N2C(=CC=CC2=N1)C T143529 [0,2,0,0,0,0|2,0,0]=4 543 B14R2.28480 CC1=CC2=NC=CC(=C2C(=C1)C)Br BBO000593 [0,2,0,0,0,0|1,0,0]=3 544 B14R2.28480 FC1=CC2=NC=CC(=C2C(=C1)F)Br BBO000598 [0,2,0,0,0,0|2,0,0]=4 545 B14R2.28480 OC1=C2C(=CC(=CC2=NC=C1)F)F BBO000306 [0,2,0,0,0,0|2,0,0]=4 546 B14R2.29365 CC1=C2C=CC(=CC2=NC(=C1)Cl)Br BBO000652 [0,2,0,0,0,0|1,0,0]=3 547 B14R2.29365 CC1=CC(=C2C=CC(=NC2=C1)C)C BBO000089 [0,2,0,0,0,0|1,0,0]=3 548 B14R2.29365 CC1=CC(=C2C=CC(=NC2=N1)O)C T151793 [0,2,0,0,0,0|2,0,0]=4 549 B14R2.29365 CC1=CC(=NC2=C1C=CC(=N2)O)O S437727 [0,2,0,0,0,0|2,0,0]=4 550 B14R2.29365 CC1=CC(=NC2=CC(=CC=C12)Cl)C BBO000027 [0,2,0,0,0,0|1,0,0]=3 551 B14R2.29365 CC1=CC(=NC2=CC(=CC=C12)Cl)Cl CBR01181 [0,2,0,0,0,0|1,0,0]=3 552 B14R2.29365 CC1=CC(=O)C2=C(N1)C=C(C=C2)Br R261793 [0,2,0,0,0,0|2,0,0]=4 553 B14R2.29365 CC1=CC(=O)NC2=CC(=CC=C12)Br OTV000861 [0,2,0,0,0,0|1,0,0]=3 554 B14R2.29365 CC1=CC(=[O+]C2=C1C=CC(=C2)O)C S32949 [0,2,0,0,0,0|1,0,0]=3 555 B14R2.29365 CC1=CC2=C(C=C1)C(=CC(=N2)O)C S385492 [0,2,0,0,0,0|1,0,0]=3 556 B14R2.29365 CC1=CC2=C(C=C1)C(=CC(=O)O2)O IDF00004 [0,2,0,0,0,0|2,0,0]=4 557 B14R2.29365 CC1=NC2=C(C=CC(=C2)Cl)C(=C1)Cl BBO000700 [0,2,0,0,0,0|2,0,0]=4 558 B14R2.29365 CC1=NC2=CC(=CC(=C2C=C1)Cl)Cl BBO000184 [0,2,0,0,0,0|2,0,0]=4 559 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)Cl)Br BBO000214 [0,2,0,0,0,0|2,0,0]=4 560 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)Cl)F BBO000171 [0,2,0,0,0,0|2,0,0]=4 561 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)N)Br BBO000156 [0,2,0,0,0,0|2,0,0]=4 562 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)N)Cl BBO000157 [0,2,0,0,0,0|2,0,0]=4 563 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)O)Cl BBO000069 [0,2,0,0,0,0|2,0,0]=4 564 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)O)F BBO000217 [0,2,0,0,0,0|2,0,0]=4 565 B14R2.29365 O=C1C=C(C2=C(O1)C=C(C=C2)Cl)O PH004653 [0,2,0,0,0,0|2,0,0]=4 566 B14R2.1078 CCC1=CC=CC2=C1N=CC=C2Cl S581410 [0,2,0,0,0,0|1,0,0]=3 567 B14R2.1078 CCC1=CC=CC2=C1N=CC=C2O S581569 [0,2,0,0,0,0|1,0,0]=3 568 B14R2.1078 COC1=C2N=CC=C(C2=CC=C1)Cl BBO000177 [0,2,0,0,0,0|1,0,0]=3 569 B14R2.1078 COC1=CC=CC2=C(C=CN=C12)Br BBO000277 [0,2,0,0,0,0|1,0,0]=3 570 B14R2.1078 COC1=CC=CC2=C(C=CN=C12)O BBO000717 [0,2,0,0,0,0|1,0,0]=3 571 B14R2.1078 COC1=CC=CC2=C(C=CN=C12)O CDS005733 [0,2,0,0,0,0|1,0,0]=3 572 B14R2.1078 NNC1=CC=NC2=C(C=CC=C12)F BBO000540 [0,2,0,0,0,0|2,0,0]=4 573 B14R2.1078 NNC1=CC=NC2=C1C=CC=C2F PH018683 [0,2,0,0,0,0|2,0,0]=4 574 B14R2.8051 CC1=C2C=CC=C(C2=[N+](C=C1)C)O S196592 [0,2,0,0,0,0|1,0,0]=3 575 B14R2.8051 CC1=CC=C(C2=C(C=CN=C12)O)C BBO000771 [0,2,0,0,0,0|1,0,0]=3 576 B14R2.8051 FC1=CC=C(C2=C(C=CN=C12)Br)F BBO000599 [0,2,0,0,0,0|2,0,0]=4 577 B14R2.8051 FC1=CC=C(C2=C(C=CN=C12)Cl)F BBO000308 [0,2,0,0,0,0|2,0,0]=4 578 B14R2.8051 OC1=C2C(=CC=C(C2=NC=C1)F)F BBO000300 [0,2,0,0,0,0|2,0,0]=4 579 B14R2.1131 CC1=C2N=CC=CC2=C(C=C1)C=O CBR01746 [0,2,0,0,0,0|1,0,0]=3 580 B14R2.1131 CC1=CC=C(C2=C1C=CC=C2)CCl PH014576 [0,2,0,0,0,0|0,0,0]=2 581 B14R2.1131 CC1=CC=C(C2=C1C=CC=C2)CO S929115 [0,2,0,0,0,0|0,0,0]=2 582 B14R2.1131 COC1=C2N=CC=CC2=C(C=C1)Cl PH007974 [0,2,0,0,0,0|1,0,0]=3 583 B14R2.1131 COC1=CC=C(C2=C1C=CC=C2)C S677035 [0,2,0,0,0,0|0,0,0]=2 584 B14R2.1131 COC1=CC=C(C2=C1C=CC=C2)I R268739 [0,2,0,0,0,0|0,0,0]=2 585 B14R2.1131 C[N+]1=CC=C(C2=CC=CC=C12)C#N R247995 [0,2,0,0,0,0|1,0,0]=3 586 B14R2.1131 N#CC1=CC=C(C2=CC=CN=C12)O PH017350 [0,2,0,0,0,0|1,0,1]=4 587 B14R2.1131 N#CC1=CC=C(C2=NC=CC=C12)O PH017864 [0,2,0,0,0,0|1,0,1]=4 588 B14R2.1131 N#CC1=CNC(=O)C2=CC=CC=C12 PH009623 [0,2,0,0,0,0|1,0,1]=4 589 B14R2.1131 O=CC1=CC=C(C2=NC=CC=C12)O CDS018146 [0,2,0,0,0,0|1,0,1]=4 590 B14R2.1131 O=NC1=CC=C(C2=C1C=CC=C2)O PH007264 [0,2,0,0,0,0|1,0,0]=3 591 B14R2.1131 OC1=C2N=CC=CC2=C(C=C1)CCl TMT00007 [0,2,0,0,0,0|1,0,0]=3 592 B14R2.1131 OCC1=CC=C(C2=C1C=CC=N2)O PH010379 [0,2,0,0,0,0|1,0,0]=3 593 B14R2.29285 O=C1C=CS(=O)(=O)C2=C1C=CC=C2 T284483 [0,2,0,0,0,0|2,0,0]=4 594 B14R2.1073 COC1=C2N=CC(=CC2=CC=C1)N BBO000639 [0,2,0,0,0,0|1,0,0]=3 595 B14R2.1073 N#CC1=CC=NC2=C1C=CC(=C2)Cl PH009919 [0,2,0,0,0,0|1,0,1]=4 596 B14R2.1073 NNC1=CC=NC2=CC(=CC=C12)Br BBO000536 [0,2,0,0,0,0|2,0,0]=4 597 B14R2.7150 C(=O)NC1=CC=CC2=C1C=CC=C2 S504084 [0,2,0,0,0,0|0,0,1]=3 598 B14R2.7150 C=CCC1=CC=CC2=C1C=CC=C2 S731293 [0,2,0,0,0,0|0,0,0]=2 599 B14R2.7150 C=CNC1=NC=CC2=C1C=CC=C2 L133914 [0,2,0,0,0,0|1,0,1]=4 600 B14R2.7150 CCOC1=CC=CC2=C1N=CC=C2 S834785 [0,2,0,0,0,0|1,0,0]=3 601 B14R2.7150 CCOC1=NN=CC2=CC=CC=C12 T160083 [0,2,0,0,0,0|2,0,0]=4 602 B14R2.7150 CNCC1=C2C=CC=NC2=CC=C1 CBR01256 [0,2,0,0,0,0|1,0,0]=3 603 B14R2.7150 CNCC1=CC=CC2=C1C=CC=C2 PH011042 [0,2,0,0,0,0|0,0,0]=2 604 B14R2.7150 OCC[N+]1=CC=CC2=C1C=CC=C2 S879649 [0,2,0,0,0,0|1,0,0]=3 605 B14R2.11635 COC1=CC=CC2=C1C(=CC=C2)N T279714 [0,2,0,0,0,0|0,0,0]=2 606 B14R2.11635 OCC1=CC=CC2=C1C(=CC=C2)Br S57801 [0,2,0,0,0,0|0,0,0]=2 607 B14R2.31359 C=C(C)C1=CC=CC2=C1C=CC=C2 T281565 [0,2,0,0,0,0|0,0,0]=2 608 B14R2.31359 CC(=O)C1=CC=NC2=CC=CC=C12 PH016190 [0,2,0,0,0,0|1,0,0]=3 609 B14R2.31359 CC(=O)C1=CC=NC2=NC=CC=C12 PH016006 [0,2,0,0,0,0|2,0,0]=4 610 B14R2.31359 C[C@@H](N)C1=CC=CC2=NC=CC=C12 CDS014255 [0,2,0,0,0,0|1,0,0]=3 611 B14R2.31359 NC(=O)C1=CC=CC2=C1C=CC=C2 PH011547 [0,2,0,0,0,0|0,0,1]=3 612 B14R2.31359 NC(=S)C1=CC=NC2=CC=CC=C12 PH015016 [0,2,0,0,0,0|1,0,1]=4 613 B14R2.31359 O=C(O)C1=CC=CC2=CC=NC=C12 CDS019197 [0,2,0,0,0,0|1,0,1]=4 614 B14R2.31359 O=C(O)C1=CC=CC2=NC=CC=C12 CDS001076 [0,2,0,0,0,0|1,0,1]=4 615 B14R2.31359 O=[N+]([O-])C1=CC=CC2=C1C=CC=N2 S364207 [0,2,0,0,0,0|2,0,0]=4 616 B14R2.1801 CC[N+]1=CC2=C(C=C1)C(=CC=C2)O S533661 [0,2,0,0,0,0|2,0,0]=4 617 B14R2.1801 COC1=CC2=C(C=C1)C(=CC=C2)N T153451 [0,2,0,0,0,0|1,0,0]=3 618 B14R2.1801 COC1=CC2=NC=CC(=C2C=C1)Br BBO000276 [0,2,0,0,0,0|2,0,0]=4 619 B14R2.1801 COC1=CC=C2C(=CC=NC2=C1)N BBO000569 [0,2,0,0,0,0|2,0,0]=4 620 B14R2.1801 COC1=CC=C2C(=O)NC=CC2=C1 OTV000443 [0,2,0,0,0,0|2,0,0]=4 621 B14R2.1801 O=CC1=CC=C2C(=C1)C=CN=C2Cl CDS024086 [0,2,0,0,0,0|2,0,0]=4 622 B12R2.2 C1=CC=C(C=C1)C2=CC=NO2 JRD0097 [0,0,1,1,0,0|2,0,0]=4 623 B12R2.2 C1=CC=C(C=C1)C2=CCCC2 L170011 [0,0,1,1,0,0|0,0,2]=4 624 B12R2.2 C1=CC=C(C=C1)C2=CN=CO2 CDS018116 [0,0,1,1,0,0|2,0,0]=4 625 B12R2.2 C1=CC=C(C=C1)C2=NOC=C2 JRD0165 [0,0,1,1,0,0|2,0,0]=4 626 B12R2.41 C1=CC2=C(C=C1)CCCC=C2 T254290 [0,0,1,1,0,0|0,0,2]=4 627 B12R2.41 C1=CNC2=C(C=CC=C2)[NH+]=C1 L162892 [0,0,1,1,0,0|2,0,0]=4 628 B14R3.608 CC1=CC2CC1C3=CC=CC=C23 T201189 [0,1,0,1,0,0|0,0,2]=4 629 B14R3.6020 CC1=CC=C2C(=C1)C3C=CC2C3 T198617 [0,1,0,1,0,0|0,0,2]=4 630 B14R3.6020 FC1=CC=C2C(=C1)C3C=CC2C3 T198463 [0,1,0,1,0,0|0,0,2]=4 631 B14R3.6020 NC1=CC=C2C(=C1)C3C=CC2C3 T198412 [0,1,0,1,0,0|0,0,2]=4 632 B14R3.8335 NC1=C2C(=CC=C1)C3C=CC2C3 T198625 [0,1,0,1,0,0|0,0,2]=4 633 B14R3.286 BrC12C=CC(C1)C3=C2C=CC=C3 T215007 [0,1,0,1,0,0|0,0,2]=4 634 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [1,0,0,0,1,0|2,0,0]=4 635 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [1,0,0,0,1,0|2,0,0]=4 636 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [1,0,0,0,1,0|2,0,0]=4 637 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [1,0,0,0,1,0|2,0,0]=4 638 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,0,1,0|2,0,0]=4 639 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [1,0,0,0,1,0|2,0,0]=4 640 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [1,0,0,0,1,0|2,0,0]=4 641 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,0,0,0,2,0|1,0,1]=4 642 B14R2.280 O=C1C=CC2=CC=CC=C2C=CN1 T176486 [0,0,0,0,0,2|2,0,0]=4 643 B14R2.391 O=C1C=CC=CC2=CC=CC=C2N1 T176494 [0,0,0,0,0,2|1,0,0]=3