0 B14R2.11645 COC1=CC=CC2=C1NC(=O)C2=O R162574 [0,0,0,0,0,0|1,0,1]=2 1 B13R2.581 COC1=C2SC(=NC2=CC=C1)C PH003522 [1,0,0,0,0,0|2,0,1]=4 2 B13R2.4825 CC1=CC=CC2=C1NC(=C2C)C CDS014194 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O S639125 [1,0,0,0,0,0|1,0,1]=3 4 B13R2.4825 NC1C(=O)NC2=C(C=CC=C12)Cl CBR01431 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.91 CCC(=O)NC1=C(C=CC=C1)OC PH009614 [0,0,1,0,0,0|2,0,0]=3 6 B13R1.91 CCC1=C(C=CC=C1)NC(=O)CCl R744573 [0,0,1,0,0,0|3,0,0]=4 7 B13R1.91 CCC1=C(C=CC=C1)NC(=O)OC S650633 [0,0,1,0,0,0|3,0,0]=4 8 B13R1.91 CCC1=CC=CC=C1NC(=O)NC S652709 [0,0,1,0,0,0|2,0,0]=3 9 B13R1.91 CCC1=CC=CC=C1NC(=S)NC S900567 [0,0,1,0,0,0|2,1,0]=4 10 B13R1.91 CNC(=O)NC1=CC=CC=C1OC S633925 [0,0,1,0,0,0|1,0,0]=2 11 B13R1.91 CNC(=O)OC1=C(C=CC=C1)OC PH009207 [0,0,1,0,0,0|2,0,0]=3 12 B13R1.91 COC(=O)CC1=CC=CC=C1OC PH011317 [0,0,1,0,0,0|3,0,0]=4 13 B13R1.91 COC(=O)NC1=C(C=CC=C1)OC S638536 [0,0,1,0,0,0|2,0,0]=3 14 B13R1.91 COC1=C(C=CC=C1)NC(=O)C#N S898066 [0,0,1,0,0,0|2,0,0]=3 15 B13R1.91 COC1=C(C=CC=C1)NC(=O)CCl S854948 [0,0,1,0,0,0|2,0,0]=3 16 B13R1.91 COC1=C(C=CC=C1)NC(=O)CI R944718 [0,0,1,0,0,0|2,0,0]=3 17 B13R1.91 COC1=CC=CC=C1NC(=O)NO S650277 [0,0,1,0,0,0|0,0,0]=1 18 B15R2.20926 COC1=C2N=CC(=C(C2=CC=C1)O)Br BBO000326 [0,0,0,0,0,1|2,0,1]=4 19 B15R2.20926 COC1=CC=CC2=C1CCC(=O)C2C S885266 [0,0,0,0,0,1|3,0,0]=4 20 B15R2.20937 COC1=C2N=C(C=C(C2=CC=C1)O)C BBO000180 [0,0,0,0,0,1|2,0,1]=4 21 B12R1.435 COC1=CC=CC(=C1)C(=O)C=O PH017741 [1,0,1,0,0,0|1,0,1]=4 22 B12R1.440 COC1=C(C(=CC=C1)C(=O)O)C CDS014094 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.440 COC1=CC=CC(=C1N)[N+](=O)[O-] CDS020857 [1,0,1,0,0,0|0,0,2]=4 24 B12R1.75 CCC1=C(C=CC=C1)NC(=O)C S764914 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.75 CCC1=CC=CC=C1NC(=O)N S641782 [1,0,1,0,0,0|1,0,0]=3 26 B12R1.75 COC1=C(C=CC=C1)CC(=N)N PH016267 [1,0,1,0,0,0|2,0,0]=4 27 B12R1.75 COC1=C(C=CC=C1)CC(=O)N EME00432 [1,0,1,0,0,0|1,0,0]=3 28 B12R1.75 COC1=CC=CC=C1NC(=O)N S352535 [1,0,1,0,0,0|0,0,0]=2 29 B12R1.75 CSC1=C(C=CC=C1)NC(=O)C PH003618 [1,0,1,0,0,0|1,1,0]=4 30 B12R1.75 CSC1=CC=CC=C1CC(=O)O OTV000686 [1,0,1,0,0,0|1,1,0]=4 31 B12R1.371 CC1=C(C=CC=C1)NC(=O)C#N S898007 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S278939 [1,0,1,0,0,0|2,0,0]=4 33 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S292044 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S378208 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.371 CC1=CC=CC=C1NC(=O)CN CBR02475 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.371 CNC(=O)NC1=C(C=CC=C1)C S606529 [1,0,1,0,0,0|1,0,0]=3 37 B12R1.371 CNC(=O)NC1=CC=CC=C1Cl S595381 [1,0,1,0,0,0|2,0,0]=4 38 B12R1.371 CNC(=S)NC1=C(C=CC=C1)C PH010050 [1,0,1,0,0,0|1,1,0]=4 39 B12R1.371 COC(=O)NC1=C(C=CC=C1)C S628336 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.371 NNC(=O)CC1=CC=CC=C1O S668850 [1,0,1,0,0,0|2,0,0]=4 41 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)O S501069 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.371 O=C(NO)NC1=CC=CC=C1Cl S647209 [1,0,1,0,0,0|1,0,0]=3 43 B12R1.438 CCC1=CC(=CC=C1)NC(=O)C PH007204 [1,0,1,0,0,0|2,0,0]=4 44 B12R1.438 COC1=CC(=CC=C1)CC(=O)N PH011680 [1,0,1,0,0,0|1,0,0]=3 45 B12R1.438 COC1=CC(=CC=C1)NC(=O)N S576743 [1,0,1,0,0,0|0,0,0]=2 46 B12R1.438 COC1=CC(=CC=C1)NC(=S)C PH008496 [1,0,1,0,0,0|1,1,0]=4 47 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S312428 [1,0,1,0,0,0|1,0,0]=3 48 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S389684 [1,0,1,0,0,0|1,0,0]=3 49 B12R1.438 COC1=CC=CC(=C1)NC(=S)N R617539 [1,0,1,0,0,0|0,1,0]=3 50 B12R1.438 COC1=CC=CC(=C1)NC(=S)N S223026 [1,0,1,0,0,0|0,1,0]=3 51 B12R1.438 COC1=CC=CC(=C1)OC(=O)C S561207 [1,0,1,0,0,0|2,0,0]=4 52 B12R1.438 CSC1=CC=CC(=C1)NC(=O)C S545570 [1,0,1,0,0,0|1,1,0]=4 53 B12R2.315 COC1=C2C=CNC2=CN=C1 ADE001011 [2,0,0,0,0,0|2,0,0]=4 54 B12R2.315 COC1=C2C=CNC2=NC=C1 ADE000907 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.315 COC1=CC=CC2=C1CCN2 CDS009131 [2,0,0,0,0,0|1,0,1]=4 56 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 OTV000480 [2,0,0,0,0,0|2,0,0]=4 57 B12R2.202 O=C1CC2=C(N1)C(=CC=C2)I PH016779 [2,0,0,0,0,0|2,0,0]=4 58 B12R2.202 O=C1NC2=C(S1)C=CC=C2Cl R587559 [2,0,0,0,0,0|2,0,0]=4 59 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [2,0,0,0,0,0|1,0,0]=3 60 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [2,0,0,0,0,0|2,0,0]=4 61 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [2,0,0,0,0,0|2,0,0]=4 62 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [2,0,0,0,0,0|1,0,0]=3 63 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [2,0,0,0,0,0|1,0,0]=3 64 B14R1.483 CCOC1=C(C=CC=C1)NC(=O)CC S791040 [0,1,1,0,0,0|2,0,0]=4 65 B14R1.483 CCOC1=C(C=CC=C1)NC(=S)NC TMT00085 [0,1,1,0,0,0|1,1,0]=4 66 B14R1.483 CCOC1=CC=CC=C1NC(=O)CCl S921556 [0,1,1,0,0,0|2,0,0]=4 67 B14R1.965 CCC1=C(C=CC=C1)NC(=O)/C=N/O S309087 [0,1,1,0,0,0|1,0,1]=4 68 B14R1.965 CCNC(=O)NC1=C(C=CC=C1)CC S650536 [0,1,1,0,0,0|2,0,0]=4 69 B14R1.965 CCNC(=O)NC1=CC=CC=C1OC S634085 [0,1,1,0,0,0|1,0,0]=3 70 B14R1.965 CCNC(=O)NC1=CC=CC=C1OC S710415 [0,1,1,0,0,0|1,0,0]=3 71 B14R1.965 CCNC(=S)NC1=C(C=CC=C1)OC TMT00084 [0,1,1,0,0,0|1,1,0]=4 72 B14R1.965 CCOC(=O)NC1=C(C=CC=C1)OC S621854 [0,1,1,0,0,0|2,0,0]=4 73 B14R1.965 COC1=C(C=CC=C1)NC(=O)/C=N\O T140481 [0,1,1,0,0,0|0,0,1]=3 74 B14R1.2178 CCC1=CC=CC(=C1NC(=O)NC)C S665967 [0,1,1,0,0,0|2,0,0]=4 75 B14R1.3135 CCC1=C(C=CC=C1)NC(=O)N(C)C S652393 [0,1,1,0,0,0|2,0,0]=4 76 B14R1.3135 COC1=C(C=CC=C1)NC(=O)C(Cl)Cl S791946 [0,1,1,0,0,0|2,0,0]=4 77 B14R1.3135 COC1=C(C=CC=C1)NC(=O)N(C)C S597619 [0,1,1,0,0,0|1,0,0]=3 78 B14R1.3135 COC1=C(C=CC=C1)NC(=S)N(C)C S547530 [0,1,1,0,0,0|1,1,0]=4 79 B14R1.3279 CCC(=O)NC1=C(C=CC(=C1)Cl)OC S890537 [0,1,1,0,0,0|2,0,0]=4 80 B14R1.3279 COC(=O)NC1=C(C=CC(=C1)C)OC S624268 [0,1,1,0,0,0|2,0,0]=4 81 B14R1.3279 COC1=C(C=C(C=C1)C)NC(=O)CCl S854816 [0,1,1,0,0,0|2,0,0]=4 82 B14R1.3279 COC1=C(C=C(C=C1)Cl)NC(=O)CCl S913804 [0,1,1,0,0,0|2,0,0]=4 83 B14R1.3417 CCC(=O)NC1=C(C=C(C=C1)Cl)OC S791989 [0,1,1,0,0,0|2,0,0]=4 84 B14R1.3417 COC1=C(C=CC(=C1)Cl)NC(=O)CCl S913863 [0,1,1,0,0,0|2,0,0]=4 85 B14R1.3995 CNC(=O)NC1=CC=CC(=C1OC)Cl S917117 [0,1,1,0,0,0|1,0,0]=3 86 B14R1.3995 COC(=O)NC1=C(C(=CC=C1)Cl)OC S709808 [0,1,1,0,0,0|2,0,0]=4 87 B14R1.3995 COC1=C(C=CC=C1Cl)NC(=O)CCl S916692 [0,1,1,0,0,0|2,0,0]=4 88 B14R2.1072 C(=O)C1=CNC2=C1C=CC=C2OC R408069 [1,1,0,0,0,0|1,0,1]=4 89 B14R2.712 O=C1NC2=C(N1)C(=CC=C2)[N+](=O)[O-] L168505 [1,1,0,0,0,0|2,0,0]=4 90 B14R2.11647 COC1=CC=CC2=C1OC(=C2)C=O CDS012855 [1,1,0,0,0,0|2,0,0]=4 91 B14R2.8620 CC1=CC=C(C2=C1NC(=O)C2=O)C S17567 [1,1,0,0,0,0|1,0,1]=4 92 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(=C1)Br TMT00014 [1,1,0,0,0,0|1,0,1]=4 93 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2=O L259179 [0,0,1,1,0,0|1,0,1]=4 94 B14R2.11689 COC1=CC=CC2=C1C(=CN2)C=O CDS004557 [0,0,1,1,0,0|2,0,0]=4 95 B12R1.77 CNC(=O)C1=CC=CC=C1NC PH013025 [0,0,1,0,1,0|2,0,0]=4 96 B12R1.77 COC1=CC=CC=C1/C(=N/O)/N PH011002 [0,0,1,0,1,0|1,0,1]=4 97 B12R1.77 COC1=CC=CC=C1/C(=N\O)/C S681385 [0,0,1,0,1,0|1,0,1]=4 98 B12R1.77 COC1=CC=CC=C1C(=O)NN S550388 [0,0,1,0,1,0|1,0,0]=3 99 B14R1.75 COC1=CC=CC(=C1)CN(C)C(=N)N PH014485 [0,0,1,0,0,1|2,0,0]=4 100 B14R2.8038 O=C1COC2=C(C=CC=C2N1O)Cl T320749 [1,0,0,0,0,1|2,0,0]=4 101 B14R2.8045 CC1=CC=CC2=C1NC(=O)NC2=O T315990 [1,0,0,0,0,1|1,0,1]=4 102 B14R2.1815 COC1=CC2=C(C=C1)C(=O)C(=O)N2 OTV000973 [0,0,0,0,1,1|1,0,1]=4 103 B14R2.1815 COC1=CC=C2C(=C1)CC(=O)N2C T311650 [0,0,0,0,1,1|2,0,0]=4