0 B13R1.4928 CC1=CC=CC(=C1NC(=S)C#N)C S744395 [0,0,0,0,0,0|0,1,2]=3 1 B13R1.4928 CC1=CC=CC(=C1NC(=S)C#N)Cl S744433 [0,0,0,0,0,0|1,1,2]=4 2 B13R1.4928 CCC(=O)NC1=C(C=CC=C1C)C S791032 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.4928 CCC(=O)OC1=C(OC=CC1=O)C CDS000494 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.4928 CNC(=O)NC1=C(C=CC=C1C)C S664529 [0,0,0,0,0,0|2,0,0]=2 5 B13R1.4928 CNC(=O)NC1=C(C=CC=C1Cl)C S647179 [0,0,0,0,0,0|3,0,0]=3 6 B13R1.4928 CNC(=O)NC1=C(C=CC=C1Cl)Cl S665665 [0,0,0,0,0,0|4,0,0]=4 7 B13R1.4928 CNC(=O)OC1=C(C=CC=C1C)C PH009325 [0,0,0,0,0,0|3,0,0]=3 8 B13R1.4928 CNC(=S)NC1=C(C=CC=C1C)C S900559 [0,0,0,0,0,0|2,1,0]=3 9 B13R1.4928 COC(=O)NC1=C(C=CC=C1C)C S667765 [0,0,0,0,0,0|2,0,0]=2 10 B13R1.4928 COC(=O)NC1=C(C=CC=C1C)Cl S667625 [0,0,0,0,0,0|3,0,0]=3 11 B13R1.4928 COC(=O)NC1=C(C=CC=C1Cl)Cl S597287 [0,0,0,0,0,0|4,0,0]=4 12 B13R1.4928 NNC(=S)NC1=C(C=CC=C1Cl)Cl R257818 [0,0,0,0,0,0|3,1,0]=4 13 B13R1.4928 O=C(CCl)NC1=C(C=CC=C1Cl)Cl S188913 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.371 CC1=C(C=CC=C1)NC(=O)C#N S898007 [1,0,0,0,0,0|0,0,2]=3 15 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S278939 [1,0,0,0,0,0|1,0,0]=2 16 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S292044 [1,0,0,0,0,0|1,0,0]=2 17 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S378208 [1,0,0,0,0,0|1,0,0]=2 18 B12R1.371 CC1=CC=CC=C1NC(=O)CN CBR02475 [1,0,0,0,0,0|0,0,0]=1 19 B12R1.371 CCC(=O)NC1=C(C=CC=C1)Cl R131482 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.371 CNC(=O)NC1=C(C=CC=C1)C S606529 [1,0,0,0,0,0|2,0,0]=3 21 B12R1.371 CNC(=O)NC1=CC=CC=C1Cl S595381 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.371 CNC(=S)NC1=C(C=CC=C1)C PH010050 [1,0,0,0,0,0|2,1,0]=4 23 B12R1.371 COC(=O)NC1=C(C=CC=C1)C S628336 [1,0,0,0,0,0|2,0,0]=3 24 B12R1.371 COC(=O)NC1=C(C=CC=C1)Cl S634352 [1,0,0,0,0,0|3,0,0]=4 25 B12R1.371 N#CC(=O)NC1=C(C=CC=C1)Cl S898082 [1,0,0,0,0,0|1,0,2]=4 26 B12R1.371 N#CC(=O)NC1=C(C=CC=C1)F S898724 [1,0,0,0,0,0|1,0,2]=4 27 B12R1.371 NNC(=O)CC1=C(C=CC=C1)F CBR02131 [1,0,0,0,0,0|3,0,0]=4 28 B12R1.371 NNC(=O)CC1=CC=CC=C1O S668850 [1,0,0,0,0,0|3,0,0]=4 29 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)F R590193 [1,0,0,0,0,0|2,0,0]=3 30 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)O S501069 [1,0,0,0,0,0|2,0,0]=3 31 B12R1.371 O=C(CCl)NC1=C(C=CN=C1)O ADE000690 [1,0,0,0,0,0|3,0,0]=4 32 B12R1.371 O=C(CCl)NC1=CC=CN=C1Cl R590096 [1,0,0,0,0,0|3,0,0]=4 33 B12R1.371 O=C(CCl)NC1=CC=CN=C1O ADE000691 [1,0,0,0,0,0|3,0,0]=4 34 B12R1.371 O=C(CCl)OC1=C(C=CC=C1)F PH008803 [1,0,0,0,0,0|3,0,0]=4 35 B12R1.371 O=C(CI)NC1=CC=CC=C1Cl R823252 [1,0,0,0,0,0|2,0,0]=3 36 B12R1.371 O=C(NO)NC1=CC=CC=C1Cl S647209 [1,0,0,0,0,0|3,0,0]=4 37 B12R1.1009 CC(=O)NC1=C(C=CC=C1C)Cl R591661 [1,0,0,0,0,0|1,0,0]=2 38 B12R1.1009 CC(=O)NC1=C(C=CC=C1Cl)Cl R646350 [1,0,0,0,0,0|2,0,0]=3 39 B12R1.1009 CC(=O)OC1=C(C=CC=C1C)C S240354 [1,0,0,0,0,0|1,0,0]=2 40 B12R1.1009 CC1=CC=CC(=C1NC(=O)N)Cl S708852 [1,0,0,0,0,0|1,0,0]=2 41 B12R1.1009 CC1=CC=CC(=C1NC(=S)N)C S862762 [1,0,0,0,0,0|0,1,0]=2 42 B12R1.1009 CC1=CC=CC(=[N+]1CC(=O)O)C S243116 [1,0,0,0,0,0|3,0,0]=4 43 B12R1.1009 NC(=S)NC1=C(C=CC=C1Cl)Cl PH011794 [1,0,0,0,0,0|2,1,0]=4 44 B12R1.1631 CC1=CC=CC(=C1NCC#N)C PH007654 [1,0,0,0,0,0|0,0,3]=4 45 B12R1.1631 CC1=CC=CC(=C1NCCN)C PH002687 [1,0,0,0,0,0|0,0,1]=2 46 B12R1.1631 CC1=CC=CC(=C1OCCN)C OTV000226 [1,0,0,0,0,0|1,0,1]=3 47 B12R1.1631 CC1=CC=CC(=C1OCCN)C R414344 [1,0,0,0,0,0|1,0,1]=3 48 B14R1.2178 CCC1=C(C(=CC=C1)C)NC(=O)CCl S486450 [0,1,0,0,0,0|1,0,0]=2 49 B14R1.2178 CCC1=CC=CC(=C1NC(=O)NC)C S665967 [0,1,0,0,0,0|2,0,0]=3 50 B14R1.2178 CCC1=CC=CC(=C1NC(=O)OC)C S667757 [0,1,0,0,0,0|2,0,0]=3 51 B14R1.5971 CC1=C(C(=CC=C1)Cl)NC(=O)C(Cl)Cl S892335 [0,1,0,0,0,0|2,0,0]=3 52 B14R1.5971 CC1=C(C(=CC=C1)Cl)NC(=O)N(C)C S652334 [0,1,0,0,0,0|3,0,0]=4 53 B14R1.5971 CC1=CC=CC(=C1NC(=O)C(C)Br)C S234656 [0,1,0,0,0,0|1,0,0]=2 54 B14R1.5971 CC1=CC=CC(=C1NC(=O)C(C)C)C S377295 [0,1,0,0,0,0|1,0,0]=2 55 B14R1.5971 CC1=CC=CC(=C1NC(=O)C(C)C)Cl S380911 [0,1,0,0,0,0|2,0,0]=3 56 B14R1.5971 CC1=CC=CC(=C1NC(=O)C(Cl)Cl)C S282812 [0,1,0,0,0,0|1,0,0]=2 57 B14R1.5971 CC1=CC=CC(=C1NC(=O)N(C)C)C S666068 [0,1,0,0,0,0|2,0,0]=3 58 B14R1.5971 CC1=CC=CC(=C1NC(=O)[C@H](C)N)C PH017244 [0,1,0,0,0,0|0,0,0]=1 59 B14R1.5971 CC1=CC=CC(=C1NC(=S)N(C)C)C S546070 [0,1,0,0,0,0|2,1,0]=4 60 B14R1.16281 CS/C(=N\C1=C(C=CC=C1C)C)/NN PH013661 [0,1,0,0,0,0|1,1,1]=4 61 B14R1.19171 CC1=CC=CC(=C1NC(=O)CCCl)C S529605 [0,1,0,0,0,0|1,0,0]=2 62 B14R1.19171 CC=CC(=O)NC1=C(C=CC=C1C)C S381772 [0,1,0,0,0,0|1,0,1]=3 63 B14R1.19171 CC=CC(=O)NC1=C(C=CC=C1C)Cl S432369 [0,1,0,0,0,0|2,0,1]=4 64 B14R1.19171 CCNC(=O)NC1=C(C=CC=C1C)C S650285 [0,1,0,0,0,0|1,0,0]=2 65 B14R1.19171 CCNC(=O)NC1=C(C=CC=C1Cl)C S709115 [0,1,0,0,0,0|2,0,0]=3 66 B14R1.19171 CCNC(=O)NC1=C(C=CC=C1Cl)Cl S665622 [0,1,0,0,0,0|3,0,0]=4 67 B14R1.19171 CCNC(=S)NC1=C(C=CC=C1C)C TMT00083 [0,1,0,0,0,0|1,1,0]=3 68 B14R1.19171 CCOC(=O)NC1=C(C=CC=C1C)C S667064 [0,1,0,0,0,0|1,0,0]=2 69 B14R1.19171 CCOC(=O)NC1=C(C=CC=C1C)Cl S665711 [0,1,0,0,0,0|2,0,0]=3 70 B14R1.19171 CCOC(=O)NC1=C(C=CC=C1Cl)Cl S709344 [0,1,0,0,0,0|3,0,0]=4 71 B14R1.19171 O=C(CCCl)NC1=C(C=CC=C1Br)Br S893323 [0,1,0,0,0,0|3,0,0]=4 72 B14R1.20257 CC1=C(C(=CC(=C1)Br)Br)NC(=O)CCl R590215 [0,1,0,0,0,0|2,0,0]=3 73 B14R1.20257 CC1=C(C(=CC(=C1)Br)Cl)OC(=O)CCl PH014690 [0,1,0,0,0,0|3,0,0]=4 74 B14R1.20257 CC1=CC(=C(C(=C1)C)NC(=O)CBr)C PH014581 [0,1,0,0,0,0|1,0,0]=2 75 B14R1.20257 CC1=CC(=C(C(=C1)C)NC(=O)CCl)C S282545 [0,1,0,0,0,0|1,0,0]=2 76 B14R1.20257 CC1=CC(=C(C(=C1)C)NC(=O)CCl)C S921645 [0,1,0,0,0,0|1,0,0]=2 77 B14R1.20257 CC1=CC(=CC(=C1NC(=O)CCl)C)Br S718068 [0,1,0,0,0,0|1,0,0]=2 78 B14R1.20257 CCC(=O)NC1=C(C=C(C=C1C)Br)C S916757 [0,1,0,0,0,0|1,0,0]=2 79 B14R1.20257 CNC(=O)NC1=C(C=C(C=C1C)Br)C S717894 [0,1,0,0,0,0|2,0,0]=3 80 B14R1.20257 O=C(CBr)NC1=C(C=C(C=C1Br)Br)Cl S691704 [0,1,0,0,0,0|3,0,0]=4 81 B14R1.20257 O=C(CBr)NC1=C(C=C(C=C1Br)Cl)Br S689424 [0,1,0,0,0,0|3,0,0]=4 82 B14R1.20257 O=C(CCl)NC1=C(C=C(C=C1Br)Cl)Br R433926 [0,1,0,0,0,0|3,0,0]=4 83 B14R1.20257 O=C(CCl)NC1=C(C=C(C=C1Cl)Cl)Cl S188972 [0,1,0,0,0,0|3,0,0]=4 84 B14R1.20257 O=C(CCl)NC1=C(C=C(C=C1Cl)Cl)Cl S390933 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.3441 O=C(CBr)C1=C(C=CC=C1F)F PH016145 [0,0,0,0,1,0|3,0,0]=4 86 B11R1.17 CC1=C(C=CC=C1)NCCN PH010276 [2,0,0,0,0,0|0,0,1]=3 87 B11R1.17 CC1=C(C=CC=C1)OCCN R414298 [2,0,0,0,0,0|1,0,1]=4 88 B11R1.17 CC1=C(N=CC=C1)NCCN CBR01323 [2,0,0,0,0,0|1,0,1]=4 89 B11R1.17 CC1=CC=CC=C1OCCN OTV000147 [2,0,0,0,0,0|1,0,1]=4 90 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [2,0,0,0,0,0|2,0,0]=4 91 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [2,0,0,0,0,0|2,0,0]=4 92 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [2,0,0,0,0,0|0,0,0]=2 93 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [2,0,0,0,0,0|2,0,0]=4 94 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [2,0,0,0,0,0|1,0,0]=3 95 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [2,0,0,0,0,0|2,0,0]=4 96 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [2,0,0,0,0,0|2,0,0]=4 97 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [2,0,0,0,0,0|2,0,0]=4 98 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [2,0,0,0,0,0|2,0,0]=4 99 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [2,0,0,0,0,0|2,0,0]=4 100 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [2,0,0,0,0,0|0,0,0]=2 101 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [2,0,0,0,0,0|2,0,0]=4 102 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [2,0,0,0,0,0|2,0,0]=4 103 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [2,0,0,0,0,0|2,0,0]=4 104 B11R1.86 CC(=O)NC1=NC=CC=C1Cl T300071 [2,0,0,0,0,0|2,0,0]=4 105 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [2,0,0,0,0,0|2,0,0]=4 106 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [2,0,0,0,0,0|2,0,0]=4 107 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [2,0,0,0,0,0|2,0,0]=4 108 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [2,0,0,0,0,0|0,0,0]=2 109 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [2,0,0,0,0,0|2,0,0]=4 110 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [2,0,0,0,0,0|2,0,0]=4 111 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [2,0,0,0,0,0|2,0,0]=4 112 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [2,0,0,0,0,0|2,0,0]=4 113 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [2,0,0,0,0,0|1,0,0]=3 114 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [2,0,0,0,0,0|1,0,0]=3 115 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [2,0,0,0,0,0|1,0,0]=3 116 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [2,0,0,0,0,0|2,0,0]=4 117 B11R1.605 C(=O)NC1=C(C=CC=C1C)C S396656 [2,0,0,0,0,0|0,0,0]=2 118 B11R1.605 C(=O)NC1=C(C=CC=C1C)Cl S625477 [2,0,0,0,0,0|1,0,0]=3 119 B11R1.605 CC1=CC=CC(=C1/C=N/O)C S670960 [2,0,0,0,0,0|2,0,0]=4 120 B13R1.40 CC1=C(C=CC=C1Cl)NC(=O)CCl S378038 [1,1,0,0,0,0|1,0,0]=3 121 B13R1.40 CC1=C(C=CC=C1NC(=S)NN)Cl S523372 [1,1,0,0,0,0|1,1,0]=4 122 B13R1.40 CC1=CC=CC(=C1C)NC(=O)C#N S744239 [1,1,0,0,0,0|0,0,2]=4 123 B13R1.40 CC1=CC=CC(=C1C)NC(=O)CCl S188840 [1,1,0,0,0,0|1,0,0]=3 124 B13R1.40 CC1=CC=CC(=C1C)NC(=O)CCl S391727 [1,1,0,0,0,0|1,0,0]=3 125 B13R1.40 CC1=CC=CC(=C1C)NC(=O)CI L172642 [1,1,0,0,0,0|1,0,0]=3 126 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)Br)C R131431 [1,1,0,0,0,0|1,0,0]=3 127 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)C)C S890294 [1,1,0,0,0,0|1,0,0]=3 128 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)Cl)C S555355 [1,1,0,0,0,0|1,0,0]=3 129 B13R1.40 CNC(=O)NC1=C(C(=CC=C1)C)C S644021 [1,1,0,0,0,0|2,0,0]=4 130 B13R1.40 O=C(CCl)NC1=CC=CC(=C1Cl)Cl S188891 [1,1,0,0,0,0|2,0,0]=4 131 B13R1.40 O=C(CCl)NC1=CC=CC(=C1Cl)Cl S718033 [1,1,0,0,0,0|2,0,0]=4 132 B13R1.91 CCC(=O)NC1=C(C=CC=C1)OC PH009614 [1,1,0,0,0,0|1,0,0]=3 133 B13R1.91 CCC1=C(C=CC=C1)NC(=O)CCl R744573 [1,1,0,0,0,0|1,0,0]=3 134 B13R1.91 CCC1=C(C=CC=C1)NC(=O)OC S650633 [1,1,0,0,0,0|2,0,0]=4 135 B13R1.91 CCC1=CC=CC=C1NC(=O)NC S652709 [1,1,0,0,0,0|2,0,0]=4 136 B13R1.91 CNC(=O)NC1=CC=CC=C1OC S633925 [1,1,0,0,0,0|2,0,0]=4 137 B13R1.91 COC(=O)NC1=C(C=CC=C1)OC S638536 [1,1,0,0,0,0|2,0,0]=4 138 B13R1.91 COC1=C(C=CC=C1)NC(=O)C#N S898066 [1,1,0,0,0,0|0,0,2]=4 139 B13R1.91 COC1=C(C=CC=C1)NC(=O)CCl S854948 [1,1,0,0,0,0|1,0,0]=3 140 B13R1.91 COC1=C(C=CC=C1)NC(=O)CI R944718 [1,1,0,0,0,0|1,0,0]=3 141 B13R1.91 COC1=CC=CC=C1NC(=O)NO S650277 [1,1,0,0,0,0|2,0,0]=4 142 B13R1.91 N#CC1=C(C=CC=C1)NC(=O)CBr R818070 [1,1,0,0,0,0|1,0,1]=4 143 B13R1.91 N#CC1=C(C=CC=C1)NC(=O)CCl S913812 [1,1,0,0,0,0|1,0,1]=4 144 B13R1.202 CC1=C(C=CC=C1)NC(=O)C(Cl)Cl S282766 [1,1,0,0,0,0|1,0,0]=3 145 B13R1.202 CC1=C(C=CC=C1)NC(=O)N(C)C S606278 [1,1,0,0,0,0|2,0,0]=4 146 B13R1.470 CC1=C(C=CC=C1)NC(=O)CC#N PH010218 [1,1,0,0,0,0|0,0,1]=3 147 B13R1.470 CC1=CC=CC=C1NC(=O)/C=N/O S662666 [1,1,0,0,0,0|0,0,2]=4 148 B13R1.470 CCNC(=O)NC1=C(C=CC=C1)C S640336 [1,1,0,0,0,0|1,0,0]=3 149 B13R1.470 CCNC(=O)NC1=CC=CC=C1Cl S595683 [1,1,0,0,0,0|2,0,0]=4 150 B13R1.470 CCOC(=O)NC1=C(C=CC=C1)C S644102 [1,1,0,0,0,0|1,0,0]=3 151 B13R1.470 CCOC(=O)NC1=C(C=CC=C1)Cl S595357 [1,1,0,0,0,0|2,0,0]=4 152 B13R1.470 N#CCC(=O)NC1=CC=CC=C1Cl R428094 [1,1,0,0,0,0|1,0,1]=4 153 B13R1.2679 CC1=C(C=CC(=C1)Br)NC(=O)CCl S878456 [1,1,0,0,0,0|1,0,0]=3 154 B13R1.2679 CC1=C(C=CC(=C1)Cl)NC(=O)CCl S378097 [1,1,0,0,0,0|1,0,0]=3 155 B13R1.2679 CC1=CC(=C(C=C1)NC(=O)CCl)Br R703680 [1,1,0,0,0,0|2,0,0]=4 156 B13R1.2679 CC1=CC(=C(C=C1)NC(=O)CCl)C R590169 [1,1,0,0,0,0|1,0,0]=3 157 B13R1.2679 CC1=CC(=C(C=C1)NC(=O)CCl)Cl TMT00602 [1,1,0,0,0,0|2,0,0]=4 158 B13R1.2679 CC1=CC(=C(C=C1)NC(=O)CI)C L172650 [1,1,0,0,0,0|1,0,0]=3 159 B13R1.2679 CC1=CC(=CC=C1NC(=S)NN)Cl S538256 [1,1,0,0,0,0|1,1,0]=4 160 B13R1.2679 CC1=CC=C(C(=C1)C)NC(=O)NN S924512 [1,1,0,0,0,0|1,0,0]=3 161 B13R1.2679 CC1=CC=C(C(=C1)C)NC(=S)NN CDS000648 [1,1,0,0,0,0|1,1,0]=4 162 B13R1.2679 CCC(=O)NC1=C(C=C(C=C1)C)C S890308 [1,1,0,0,0,0|1,0,0]=3 163 B13R1.2679 CCC(=O)NC1=C(C=C(C=C1)Cl)C S772763 [1,1,0,0,0,0|1,0,0]=3 164 B13R1.2679 CNC(=O)NC1=C(C=C(C=C1)C)C S606782 [1,1,0,0,0,0|2,0,0]=4 165 B13R1.2679 CNC(=O)NC1=CC=C(C=C1C)Cl S638129 [1,1,0,0,0,0|2,0,0]=4 166 B13R1.2679 COC(=O)NC1=C(C=C(C=C1)C)C S606839 [1,1,0,0,0,0|2,0,0]=4 167 B13R1.2679 COC(=O)NC1=C(C=C(C=C1)Cl)C S625272 [1,1,0,0,0,0|2,0,0]=4 168 B13R1.2679 O=C(CCl)NC1=C(C=C(C=C1)Br)F TMT00589 [1,1,0,0,0,0|2,0,0]=4 169 B13R1.2679 O=C(CCl)NC1=C(C=C(C=C1)Cl)Cl S385301 [1,1,0,0,0,0|2,0,0]=4 170 B13R1.2679 O=C(CCl)NC1=CC=C(C=C1Cl)Br S921467 [1,1,0,0,0,0|2,0,0]=4 171 B13R1.2679 O=C(CCl)NC1=CC=C(C=C1O)O PH008556 [1,1,0,0,0,0|2,0,0]=4 172 B13R1.2872 CC1=C(C=C(C=C1)Cl)NC(=O)CCl S378070 [1,1,0,0,0,0|1,0,0]=3 173 B13R1.2872 CC1=CC(=C(C=C1)C)NC(=O)CCl S746568 [1,1,0,0,0,0|1,0,0]=3 174 B13R1.2872 CC1=CC(=C(C=C1)Cl)NC(=O)CCl S378003 [1,1,0,0,0,0|2,0,0]=4 175 B13R1.2872 CC1=CC=C(C(=C1)NC(=O)CI)C L172669 [1,1,0,0,0,0|1,0,0]=3 176 B13R1.2872 CCC(=O)NC1=C(C=CC(=C1)C)Cl S844055 [1,1,0,0,0,0|2,0,0]=4 177 B13R1.2872 CCC(=O)NC1=C(C=CC(=C1)Cl)C S778729 [1,1,0,0,0,0|1,0,0]=3 178 B13R1.2872 CCC(=O)NC1=C(C=CC(=C1)F)F S694797 [1,1,0,0,0,0|2,0,0]=4 179 B13R1.2872 CNC(=O)NC1=C(C=CC(=C1)C)C S636657 [1,1,0,0,0,0|2,0,0]=4 180 B13R1.2872 CNC(=O)NC1=CC(=CC=C1C)Cl S611026 [1,1,0,0,0,0|2,0,0]=4 181 B13R1.2872 COC(=O)NC1=C(C=CC(=C1)C)C S636231 [1,1,0,0,0,0|2,0,0]=4 182 B13R1.2872 COC(=O)NC1=C(C=CC(=C1)Cl)C S610194 [1,1,0,0,0,0|2,0,0]=4 183 B13R1.2872 O=C(CCl)NC1=C(C=CC(=C1)Br)O R590207 [1,1,0,0,0,0|2,0,0]=4 184 B13R1.2872 O=C(CCl)NC1=C(C=CC(=C1)Cl)O MNO000017 [1,1,0,0,0,0|2,0,0]=4 185 B13R1.2872 O=C(CCl)NC1=C(C=CC(=C1)F)F S916595 [1,1,0,0,0,0|2,0,0]=4 186 B13R1.2872 O=C(CCl)NC1=CC(=CC=C1Cl)Cl S188905 [1,1,0,0,0,0|2,0,0]=4 187 B13R1.2872 O=C(CCl)NC1=CC(=CC=C1Cl)Cl S921394 [1,1,0,0,0,0|2,0,0]=4 188 B13R1.885 CC(=O)NC1=C(C(=CC=C1C)I)C L168416 [1,1,0,0,0,0|0,0,0]=2 189 B13R1.2135 CCC1=C(C(=CC=C1)C)NC(=O)C T118540 [1,1,0,0,0,0|0,0,0]=2 190 B13R1.2808 CC(=O)NC1=C(C=C(C=C1C)Br)C L168351 [1,1,0,0,0,0|0,0,0]=2 191 B13R1.2808 CC(=O)NC1=C(C=C(C=C1C)C)C T118427 [1,1,0,0,0,0|0,0,0]=2 192 B13R1.2808 CC(=O)NC1=C(C=C(C=C1Cl)Cl)Cl S715417 [1,1,0,0,0,0|2,0,0]=4 193 B13R1.2808 CC(=O)NC1=C(C=C(C=C1Cl)N)Cl S373052 [1,1,0,0,0,0|2,0,0]=4 194 B13R1.2808 CC(=O)OC1=C(C=C(C=C1C)Br)C OTV000040 [1,1,0,0,0,0|1,0,0]=3 195 B13R1.2808 CC1=CC(=C(C(=C1)C)NC(=O)N)C S677655 [1,1,0,0,0,0|0,0,0]=2 196 B13R1.2808 CC1=CC(=C(C(=C1)C)NC(=S)N)C R258083 [1,1,0,0,0,0|0,1,0]=3 197 B13R1.3788 CC1=CC=CC(=C1NS(=O)(=O)C)C TMT00208 [1,1,0,0,0,0|1,0,0]=3 198 B13R1.4656 CC1=CC(=C(C(=C1)C)C(=O)CBr)C PH016230 [0,1,0,0,1,0|1,0,0]=3 199 B13R1.4656 CC1=CC(=C(C(=C1)C)C(=O)CCl)C OTV000343 [0,1,0,0,1,0|1,0,0]=3 200 B13R1.4656 CCC(=O)C1=C(C=C(C=C1O)C)C PH004672 [0,1,0,0,1,0|2,0,0]=4 201 B15R1.36731 CCNC(=O)NNC1=C(C=CC=C1C)C S767220 [0,1,0,0,0,1|1,0,0]=3 202 B15R1.38791 CC1=CC(=C(C(=C1)C)CNC(=O)CCl)C R415936 [0,1,0,0,0,1|1,0,0]=3 203 B15R1.1604 CCC1=CC=CC(=C1NC(=O)CI)CC R822116 [0,2,0,0,0,0|1,0,0]=3 204 B15R1.1604 CCC1=CC=CC(=C1NC(=O)NC)CC S663697 [0,2,0,0,0,0|2,0,0]=4 205 B15R1.1604 CCC1=CC=CC(=C1NC(=O)OC)CC S666319 [0,2,0,0,0,0|2,0,0]=4 206 B15R1.1605 CCC1=C(C(=CC=C1)C)NC(=O)C(C)Br R241687 [0,2,0,0,0,0|1,0,0]=3 207 B15R1.1605 CCC1=C(C(=CC=C1)C)NC(=O)N(C)C S665878 [0,2,0,0,0,0|2,0,0]=4 208 B15R1.2560 CCNC(=O)NC1=C(C=CC=C1C)CC S659886 [0,2,0,0,0,0|1,0,0]=3 209 B15R1.2560 CCOC(=O)NC1=C(C=CC=C1C)CC S666416 [0,2,0,0,0,0|1,0,0]=3 210 B15R1.40363 CC1=CC=CC(=C1NC(=O)CCl)C(C)C R957968 [0,2,0,0,0,0|1,0,0]=3 211 B15R1.3552 CC1=CC(=C(C(=C1)C)NC(=O)C(Cl)Cl)C S282839 [0,2,0,0,0,0|1,0,0]=3 212 B15R1.8287 CC(=O)CC(=O)NC1=C(C=CC=C1C)C S420670 [0,2,0,0,0,0|1,0,0]=3 213 B15R1.8287 CC(=O)CC(=O)NC1=C(C=CC=C1Cl)C PH015316 [0,2,0,0,0,0|2,0,0]=4 214 B15R1.8287 CC1=C(C(=CC=C1)Cl)NC(=O)NC(C)C S647241 [0,2,0,0,0,0|2,0,0]=4 215 B15R1.8287 CC1=C(C(=CC=C1)Cl)NC(=O)NN(C)C S660728 [0,2,0,0,0,0|2,0,0]=4 216 B15R1.8287 CC1=CC=CC(=C1NC(=O)CN(C)C)Cl S380865 [0,2,0,0,0,0|1,0,0]=3 217 B15R1.8287 CC1=CC=CC(=C1NC(=O)NC(C)C)C S654337 [0,2,0,0,0,0|1,0,0]=3 218 B15R1.8287 CC1=CC=CC(=C1NC(=O)OC(C)C)C S667412 [0,2,0,0,0,0|1,0,0]=3 219 B15R1.8287 CC1=CC=CC(=C1NC(=O)OC(C)C)Cl S665703 [0,2,0,0,0,0|2,0,0]=4 220 B15R1.8287 CC1=CC=CC(=C1NC(=O)SC(C)C)Cl S711179 [0,2,0,0,0,0|2,0,0]=4 221 B15R1.37637 CCCC(=O)NC1=C(C=C(C=C1C)Br)C S698474 [0,2,0,0,0,0|1,0,0]=3 222 B15R1.37637 CCOC(=O)CC1=C(C=C(C=C1C)C)C PH017682 [0,2,0,0,0,0|2,0,0]=4 223 B15R1.37637 CCOC(=O)NC1=C(C=C(C=C1C)C)C S855901 [0,2,0,0,0,0|1,0,0]=3 224 B15R1.45718 C=CCNC(=O)NC1=C(C=CC=C1C)C S653810 [0,2,0,0,0,0|1,0,0]=3 225 B15R1.45718 C=CCNC(=O)NC1=C(C=CC=C1C)Cl S660353 [0,2,0,0,0,0|2,0,0]=4 226 B15R1.45718 C=CCOC(=O)NC1=C(C=CC=C1C)C S667471 [0,2,0,0,0,0|1,0,0]=3 227 B15R1.45718 C=CCOC(=O)NC1=C(C=CC=C1C)Cl S667706 [0,2,0,0,0,0|2,0,0]=4 228 B15R1.45718 CC1=CC=CC(=C1NC(=O)OCCCl)C S666378 [0,2,0,0,0,0|1,0,0]=3 229 B15R1.45718 CC1=CC=CC(=C1NC(=O)OCCCl)Cl S666580 [0,2,0,0,0,0|2,0,0]=4 230 B15R1.45718 CCCNC(=O)NC1=C(C=CC=C1C)C S652288 [0,2,0,0,0,0|1,0,0]=3 231 B15R1.45718 CCCNC(=O)NC1=C(C=CC=C1Cl)C S708763 [0,2,0,0,0,0|2,0,0]=4 232 B15R1.45718 CCCOC(=O)NC1=C(C=CC=C1C)C S666718 [0,2,0,0,0,0|1,0,0]=3 233 B15R1.45718 CCCOC(=O)NC1=C(C=CC=C1C)Cl S667617 [0,2,0,0,0,0|2,0,0]=4 234 B15R1.45718 CCCSC(=O)NC1=C(C=CC=C1C)Cl S711209 [0,2,0,0,0,0|2,0,0]=4 235 B13R2.54 CC1=C2N=C(OC2=CC=C1)CN CBR00881 [1,0,0,1,0,0|0,0,2]=4 236 B13R2.54 CC1=CC=CC2=C1N=C(N2)CN CBR01358 [1,0,0,1,0,0|1,0,1]=4 237 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 T203084 [1,0,0,1,0,0|2,0,0]=4 238 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T167568 [1,0,0,1,0,0|1,0,0]=3 239 B13R2.163 O=C1CCNC2=CC=CC=C2N1 T324922 [1,0,0,1,0,0|2,0,0]=4 240 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [1,0,0,1,0,0|1,0,0]=3 241 B13R2.369 CC1CC2=CC=CC=C2OC1=O T217115 [1,0,0,1,0,0|2,0,0]=4 242 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O R227021 [1,0,0,1,0,0|2,0,0]=4 243 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O JRD0784 [1,0,0,1,0,0|2,0,0]=4 244 B13R2.369 CC1SC2=CC=CC=C2NC1=O JRD0961 [1,0,0,1,0,0|2,0,0]=4 245 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O S639125 [1,0,0,1,0,0|1,0,1]=4 246 B13R2.4825 NC1C(=O)NC2=C(C=CC=C12)Cl CBR01431 [1,0,0,1,0,0|1,0,0]=3 247 B15R2.65094 CC1=CC=CC(=C1NC(=O)C2CC2)C S844179 [0,1,0,1,0,0|1,0,0]=3 248 B15R2.65094 CC1=CC=CC(=C1NC(=O)C2CC2)Cl S891347 [0,1,0,1,0,0|2,0,0]=4 249 B15R2.7647 CC1=CC=CC(=C1N2CCNC2=N)C PH014011 [0,1,0,1,0,0|2,0,0]=4 250 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [1,0,0,0,1,0|1,0,0]=3 251 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [1,0,0,0,1,0|1,0,0]=3 252 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [1,0,0,0,1,0|2,0,0]=4 253 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [1,0,0,0,1,0|2,0,0]=4 254 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [1,0,0,0,1,0|2,0,0]=4 255 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [1,0,0,0,1,0|0,0,0]=2 256 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CDS003590 [1,0,0,0,1,0|1,0,0]=3 257 B11R1.156 CC1=CC=CC(=C1C(=O)O)Cl CDS000889 [1,0,0,0,1,0|2,0,0]=4 258 B11R1.156 CC1=CC=CC(=C1C(=O)O)F CDS007502 [1,0,0,0,1,0|2,0,0]=4 259 B11R1.156 NC(=O)C1=C(C=CC=C1N)F CDS011322 [1,0,0,0,1,0|2,0,0]=4 260 B11R1.495 CC1=CC=C(N1CC(=O)N)C PH010846 [1,0,0,0,1,0|2,0,0]=4 261 B13R1.528 CC1=CC=CC=C1OCC(=O)NN R396877 [1,0,0,0,0,1|2,0,0]=4 262 B13R1.528 O=C(CCl)NCC1=C(C=CC=C1)Cl TMT00609 [1,0,0,0,0,1|2,0,0]=4