0 B14R2.28472 CC1=C(C=C2C(=CC=NC2=C1)Cl)C BBO000166 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.28472 CC1=CC2=C(C=CN=C2C=C1Br)Cl BBO000607 [0,0,0,0,0,0|4,0,0]=4 2 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1Cl)C BBO000741 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1N)C BBO000544 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.28472 CC1=CC2=NC=CC(=C2C=C1Br)Cl BBO000605 [0,0,0,0,0,0|4,0,0]=4 5 B14R2.28472 ClC1=CC=NC2=CC(=C(C=C12)Cl)Cl BBO000143 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)N CDS000034 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.162 CC1=CC=C2C=CN=C(C2=C1)Cl PH009950 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)Cl BBO000230 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.162 CC1=CC=CC2=C1N=C(C=C2)C R158348 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.162 ClC1=CC=C2N=CC=C(C2=C1)Cl BBO000145 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.162 ClC1=CC=NC2=CC=C(C=C12)Br JRD0187 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.162 ClC1=NC2=C(C=CC=C2C=C1)Br KOB0136 [1,0,0,0,0,0|1,1,1]=4 13 B13R2.162 FC1=CC2=C(C=C1)N=CC=C2Cl BBO000711 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.162 O=C1C=CC2=C(N1)C(=CN=C2)Br VBP00003 [1,0,0,0,0,0|1,1,0]=3 15 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)Br KOB0160 [1,0,0,0,0,0|0,1,0]=2 16 B13R2.162 O=C1CCC2=CC=CC(=C2C1)Cl PH014571 [1,0,0,0,0,0|1,0,2]=4 17 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [1,0,0,0,0,0|3,0,0]=4 18 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [1,0,0,0,0,0|2,0,0]=3 19 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [1,0,0,0,0,0|1,0,2]=4 20 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O R227021 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O JRD0784 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.369 CC1SC2=CC=CC=C2NC1=O JRD0961 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.369 N=C1NC2=CC=CC=C2OC1=O T319554 [1,0,0,0,0,0|2,0,1]=4 24 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl PH009408 [1,0,0,0,0,0|3,0,0]=4 25 B13R2.369 O=C1SC2=C(C=CC=C2)C=C1Cl S849499 [1,0,0,0,0,0|2,0,0]=3 26 B13R2.369 S=C1NC2=C(C=CC=C2)NC1=S PH008919 [1,0,0,0,0,0|1,2,0]=4 27 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)Cl BBO000174 [1,0,0,0,0,0|3,0,0]=4 28 B13R2.5179 ClC1=CC2=C(C=C1)C(=CC=N2)Cl R426881 [1,0,0,0,0,0|3,0,0]=4 29 B13R2.5179 ClC1=CC=NC2=CC(=CC=C12)Br BBO000274 [1,0,0,0,0,0|3,0,0]=4 30 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl BBO000702 [1,0,0,0,0,0|3,0,0]=4 31 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl CDS007214 [1,0,0,0,0,0|3,0,0]=4 32 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)O CDS000157 [1,0,0,0,0,0|2,0,0]=3 33 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [1,0,0,0,0,0|3,0,0]=4 34 B13R2.5179 NC1=CC2=CC=CC(=C2N=C1)Br BBO000641 [1,0,0,0,0,0|1,1,1]=4 35 B15R2.2039 CC1=C2N=C(C(=CC2=CC=C1)CO)Cl BBO000265 [0,1,0,0,0,0|2,0,1]=4 36 B13R1.148 C/C(=C/C1=CC=CC(=C1)N)/C(=O)O PH008849 [0,0,1,0,0,0|3,0,0]=4 37 B13R1.148 C/C(=C\C1=CC(=CC=C1)Br)/C(=O)O L129372 [0,0,1,0,0,0|2,1,0]=4 38 B13R1.148 C/C(=C\C1=CC(=CC=C1)Cl)/C(=O)O R151122 [0,0,1,0,0,0|2,0,0]=3 39 B13R1.148 CC1=CC(=CC=C1)/C=C(\C)/C(=O)O R151041 [0,0,1,0,0,0|3,0,0]=4 40 B13R1.148 O=C(O)/C(=C/C1=CC(=CC=C1)O)/S PH000774 [0,0,1,0,0,0|2,1,0]=4 41 B13R1.148 O=C(O)/C(=C/C1=CC=CC(=C1)Cl)/S S762601 [0,0,1,0,0,0|1,1,0]=3 42 B13R1.202 C/C(=C\C1=C(C=CC=C1)Cl)/C(=O)O S808695 [0,0,1,0,0,0|3,0,0]=4 43 B13R1.4928 CNC(=O)NC1=C(C=CC=C1Cl)C S647179 [0,0,1,0,0,0|2,0,1]=4 44 B13R1.4928 CNC(=O)NC1=C(C=CC=C1Cl)Cl S665665 [0,0,1,0,0,0|3,0,0]=4 45 B13R1.4928 COC(=O)NC1=C(C=CC=C1C)Cl S667625 [0,0,1,0,0,0|2,0,1]=4 46 B13R1.4928 COC(=O)NC1=C(C=CC=C1Cl)Cl S597287 [0,0,1,0,0,0|3,0,0]=4 47 B13R1.4928 O=C(CCl)NC1=C(C=CC=C1Cl)Cl S188913 [0,0,1,0,0,0|2,0,1]=4 48 B13R2.4825 CC1=CC=CC2=C1NC(=C2C)C CDS014194 [0,0,0,0,1,0|3,0,0]=4 49 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O S639125 [0,0,0,0,1,0|1,0,1]=3 50 B13R2.4825 NC1C(=O)NC2=C(C=CC=C12)Cl CBR01431 [0,0,0,0,1,0|1,0,1]=3 51 B13R2.4856 N1C(=O)C(=O)C2=C1C=CC=C2Cl S337161 [0,0,0,0,1,0|1,0,1]=3 52 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)Br PH016095 [0,0,0,0,1,0|1,1,1]=4 53 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)F CDS020844 [0,0,0,0,1,0|1,1,1]=4 54 B12R1.371 CCC(=O)NC1=C(C=CC=C1)Cl R131482 [1,0,1,0,0,0|0,0,2]=4 55 B12R1.371 CNC(=O)NC1=CC=CC=C1Cl S595381 [1,0,1,0,0,0|1,0,1]=4 56 B12R1.371 COC(=O)NC1=C(C=CC=C1)Cl S634352 [1,0,1,0,0,0|1,0,1]=4 57 B12R1.371 N#CC(=O)NC1=C(C=CC=C1)Cl S898082 [1,0,1,0,0,0|1,0,1]=4 58 B12R1.371 O=C(CI)NC1=CC=CC=C1Cl R823252 [1,0,1,0,0,0|1,0,1]=4 59 B12R1.371 O=C(NO)NC1=CC=CC=C1Cl S647209 [1,0,1,0,0,0|1,0,0]=3 60 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Br S808768 [1,0,1,0,0,0|2,0,0]=4 61 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl PH009328 [1,0,1,0,0,0|2,0,0]=4 62 B12R1.43 O=C(O)/C(=C\C1=CC=CC=C1)/Cl PH004529 [1,0,1,0,0,0|2,0,0]=4 63 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl PH010874 [1,0,1,0,0,0|2,0,0]=4 64 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl R871222 [1,0,1,0,0,0|1,0,1]=4 65 B12R1.1009 CC(=O)NC1=C(C=CC=C1C)Cl R591661 [1,0,1,0,0,0|0,0,2]=4 66 B12R1.1009 CC(=O)NC1=C(C=CC=C1Cl)Cl R646350 [1,0,1,0,0,0|1,0,1]=4 67 B12R1.1009 CC1=CC=CC(=C1NC(=O)N)Cl S708852 [1,0,1,0,0,0|1,0,1]=4 68 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [2,0,0,0,0,0|2,0,0]=4 69 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [2,0,0,0,0,0|1,0,1]=4 70 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [2,0,0,0,0,0|0,0,1]=3 71 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [2,0,0,0,0,0|2,0,0]=4 72 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [2,0,0,0,0,0|1,0,1]=4 73 B12R2.1081 ClC1=CC=CC2=CC=CN=C12 CDS004725 [2,0,0,0,0,0|0,0,1]=3 74 B12R2.1081 ClC1=CC=CC2=CC=NC=C12 CDS006562 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.1081 FC1=CC=CC2=CC=CN=C12 CDS006871 [2,0,0,0,0,0|0,1,1]=4 76 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.1081 OC1=CC=CC2=C1N=CC=C2 S440892 [2,0,0,0,0,0|1,0,1]=4 78 B12R2.1081 [NH+]1=CC=CC2=C1C(=CC=C2)[S-] R396265 [2,0,0,0,0,0|1,0,1]=4 79 B14R1.243 C=C(C)C(=O)N(C)C1=CC=CC=C1C S420697 [0,1,1,0,0,0|2,0,0]=4 80 B14R1.19171 CC=CC(=O)NC1=C(C=CC=C1C)Cl S432369 [0,1,1,0,0,0|1,0,1]=4 81 B14R2.8045 CC1=CC=CC2=C1NC(=O)NC2=O T315990 [1,1,0,0,0,0|2,0,0]=4 82 B14R2.8045 CC1=NC2=C(C=CC=C2Cl)C(=C1)O BBO000698 [1,1,0,0,0,0|1,0,1]=4 83 B14R2.11684 COC1=C2OC(=O)C=CC2=CC=C1 IDF00005 [1,1,0,0,0,0|2,0,0]=4 84 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O UPL0014 [1,1,0,0,0,0|1,0,0]=3 85 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl BBO000266 [1,1,0,0,0,0|1,0,1]=4 86 B14R2.8188 CC1=NC2=C(C=CC=C2)N(C1=O)C PH009988 [1,1,0,0,0,0|2,0,0]=4 87 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C12 CBR00312 [1,1,0,0,0,0|1,0,1]=4 88 B14R2.8188 CN1C(=O)NC2=CC=CC=C2C1=O TMT00237 [1,1,0,0,0,0|2,0,0]=4 89 B14R2.8188 O=C1OC2=C(C=CC=C2)C(=C1Br)O PH011265 [1,1,0,0,0,0|2,0,0]=4 90 B14R2.8239 CC1=CC=C2NC(=O)C(=O)NC2=C1 CDS019918 [1,1,0,0,0,0|1,0,1]=4 91 B14R2.8239 O=C1NC2=C(C=C(C=C2)Cl)NC1=O PH003527 [1,1,0,0,0,0|1,0,1]=4 92 B14R2.1801 COC1=CC2=C(C=C1)C(=CC=C2)N T153451 [1,1,0,0,0,0|2,0,0]=4 93 B14R2.2151 CC1=C(NC2=C(C=CC=C12)Cl)C=O CBR01909 [0,1,0,0,1,0|1,0,0]=3 94 B14R2.8620 CC1=CC=C(C2=C1NC(=O)C2=O)C S17567 [0,1,0,0,1,0|1,0,1]=4 95 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(=C1)Br TMT00014 [0,1,0,0,1,0|1,0,1]=4 96 B14R2.9184 CC1=CC(=C2NC(=O)C(=O)C2=C1)Br OTV000673 [0,1,0,0,1,0|0,1,1]=4 97 B14R2.11645 COC1=CC=CC2=C1NC(=O)C2=O R162574 [0,1,0,0,1,0|1,0,1]=4 98 B14R2.4506 N1C(=O)C(=O)C2=C1C=CC(=C2Cl)Cl S53881 [0,1,0,0,1,0|1,0,1]=4 99 B14R2.27750 O=C1NC2=C(C1=O)C(=CC(=C2)Cl)Cl PH011218 [0,1,0,0,1,0|1,0,1]=4 100 B14R2.4529 CC1=CC2=C(C=C1)OC(=C2)C(=O)O CDS008857 [0,0,1,1,0,0|2,0,0]=4 101 B14R2.4529 NC1=CC=C2OC(=CC2=C1)C(=O)O CDS023605 [0,0,1,1,0,0|2,0,0]=4 102 B14R2.4529 O=C(Cl)C1=CC2=CC(=CC=C2N1)Cl PH015253 [0,0,1,1,0,0|2,0,0]=4 103 B14R2.4529 O=C(O)C1=CC2=C(O1)C=CC(=C2)Br PH006864 [0,0,1,1,0,0|1,1,0]=4 104 B14R2.4529 O=C([O-])C1=CC2=C(O1)C=CC(=C2)Br R407798 [0,0,1,1,0,0|1,1,0]=4 105 B14R2.7969 O=C(O)C1=CC2=CC=CC(=C2N1)Cl CDS002296 [0,0,1,1,0,0|2,0,0]=4 106 B12R1.225 CC(=O)C(=O)C1=CC(=CC=C1)Cl MNO000201 [0,0,1,0,1,0|1,0,1]=4 107 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 OTV000480 [1,0,0,0,1,0|2,0,0]=4 108 B12R2.202 O=C1CC2=C(N1)C(=CC=C2)I PH016779 [1,0,0,0,1,0|0,1,1]=4 109 B12R2.202 O=C1NC2=C(S1)C=CC=C2Cl R587559 [1,0,0,0,1,0|1,0,0]=3 110 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [1,0,0,0,1,0|2,0,0]=4 111 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [1,0,0,0,1,0|1,0,1]=4 112 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [1,0,0,0,1,0|2,0,0]=4 113 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [1,0,0,0,1,0|0,0,1]=3 114 B12R2.196 CC1=CNC2=C(C=CC=C12)Br T117943 [1,0,0,0,1,0|1,1,0]=4 115 B14R1.337 C/C(=C/C(=O)NC1=CC=CC=C1Cl)/N PH007235 [0,0,1,0,0,1|1,0,1]=4 116 B14R1.337 CC(=O)CC(=O)NC1=C(C=CC=C1)Cl S423386 [0,0,1,0,0,1|0,0,2]=4