0 B13R2.10 C1=CC=C(C=C1)C2=CC(=NN2)N A151515 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.10 C1=CC=C(C=C1)C2=CN=C(S2)N A184243 [0,0,0,0,0,0|2,0,2]=4 2 B13R2.10 C1=CC=C(C=C1)C2=CSC(=N2)Br W135021 [0,0,0,0,0,0|1,1,2]=4 3 B13R2.10 C1=CC=C(C=C1)C2=CSC(=N2)Cl C168080 [0,0,0,0,0,0|1,1,2]=4 4 B13R2.10 C1=CC=C(C=C1)C2=CSC(=N2)N A113932 [0,0,0,0,0,0|0,1,2]=3 5 B13R2.10 C1=CC=C(C=C1)C2=CSC(=N2)N A170774 [0,0,0,0,0,0|0,1,2]=3 6 B13R2.10 C1=CC=C(C=C1)C2=NC(=NN2)N P341759 [0,0,0,0,0,0|2,0,1]=3 7 B13R2.10 C1=CC=C(C=C1)C2=NC(=NO2)Br B588307 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.10 C1=CC=C(C=C1)C2=NN=C(O2)N A167683 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.10 C1=CC=C(C=C1)C2=NN=C(S2)N A151014 [0,0,0,0,0,0|3,0,1]=4 10 B13R2.10 C1=CC=C(C=C1)C2=NOC(=C2)N A138839 [0,0,0,0,0,0|2,0,1]=3 11 B13R2.10 C1=CC=C(C=C1)C2=NOC(=O)O2 P587893 [0,0,0,0,0,0|3,0,1]=4 12 B13R2.10 C1=CC=NC(=C1)C2=CSC(=N2)N P334831 [0,0,0,0,0,0|1,1,2]=4 13 B13R2.10 C1C(=NOC1=O)C2=CC=CC=C2 P302167 [0,0,0,0,0,0|3,0,1]=4 14 B13R2.10 C1C(CNC1=O)C2=CC=CC=C2 P190023 [0,0,0,0,0,0|3,0,0]=3 15 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 P107587 [0,0,0,0,0,0|1,0,1]=2 16 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 P111345 [0,0,0,0,0,0|1,0,1]=2 17 B13R2.10 C1C(NC(=S)O1)C2=CC=CC=C2 R131929 [0,0,0,0,0,0|1,0,1]=2 18 B13R2.10 C1C(NC(=S)S1)C2=CC=CC=C2 S161095 [0,0,0,0,0,0|1,1,1]=3 19 B13R2.10 C1CN(CC1N)C2=CC=CC=C2 P587810 [0,0,0,0,0,0|3,0,1]=4 20 B13R2.10 C1CN(NC1=O)C2=CC=CC=C2 P113217 [0,0,0,0,0,0|3,0,1]=4 21 B13R2.10 C1CN(NC1=O)C2=CC=CC=C2 P113218 [0,0,0,0,0,0|3,0,1]=4 22 B13R2.10 C1CN(NC1=O)C2=CC=CC=C2 P426941 [0,0,0,0,0,0|3,0,1]=4 23 B13R2.10 CC1=NC(=CS1)C2=CC=CC=C2 M404668 [0,0,0,0,0,0|1,1,2]=4 24 B13R2.10 CC1=NC(=NO1)C2=CC=CC=C2 M341768 [0,0,0,0,0,0|2,0,1]=3 25 B13R2.10 CC1=NN(C=C1)C2=CC=CC=C2 M158361 [0,0,0,0,0,0|3,0,1]=4 26 B12R2.2 C1=CC=C(C=C1)C2=NC=CN2 P124054 [1,0,0,0,0,0|2,0,1]=4 27 B12R2.2 C1=CC=C(C=C1)C2=NC=CS2 P305244 [1,0,0,0,0,0|2,0,1]=4 28 B12R2.2 C1=CC=C(C=C1)N2C=CC=N2 P160449 [1,0,0,0,0,0|2,0,1]=4 29 B12R2.2 C1CC(=NC1)C2=CC=CC=C2 P341771 [1,0,0,0,0,0|1,0,2]=4 30 B12R2.2 C1CC(NC1)C2=CC=CC=C2 P345688 [1,0,0,0,0,0|1,0,2]=4 31 B12R2.2 C1CC(NC1)C2=CC=CC=C2 R176807 [1,0,0,0,0,0|1,0,2]=4 32 B14R2.20 C1=CC(=CC=C1C2=CSC(=N2)N)Br A140256 [0,1,0,0,0,0|0,1,2]=4 33 B14R2.20 C1=CC(=CC=C1C2=CSC(=N2)N)Cl A151219 [0,1,0,0,0,0|0,1,2]=4 34 B14R2.20 C1=CC(=CC=C1C2=CSC(=N2)N)F A186592 [0,1,0,0,0,0|0,1,2]=4 35 B14R2.20 C1=CC(=CC=C1C2=CSC(=N2)N)I I294184 [0,1,0,0,0,0|0,1,2]=4 36 B14R2.20 C1=CC(=CC=C1C2=CSC(=N2)N)N A299472 [0,1,0,0,0,0|0,1,2]=4 37 B14R2.20 C1=CC(=CC=C1C2=CSC(=N2)N)O B301318 [0,1,0,0,0,0|0,1,2]=4 38 B14R2.20 C1=CC(=CC=C1C2=NOC(=C2)N)Cl A169693 [0,1,0,0,0,0|2,0,1]=4 39 B14R2.20 C1=CC(=CC=C1C2=NOC(=C2)N)F A405691 [0,1,0,0,0,0|2,0,1]=4 40 B14R2.20 CC1=CC=C(C=C1)C2=CSC(=N2)N A151217 [0,1,0,0,0,0|0,1,2]=4 41 B14R2.256 C1=CC=C(C(=C1)C2=CSC(=N2)N)Cl C182763 [0,1,0,0,0,0|0,1,2]=4 42 B14R2.598 C1C(=NN(C1=O)C2=CC=CC=C2)N A151513 [0,1,0,0,0,0|2,0,1]=4 43 B14R2.598 C1C(C(=O)OC1=O)C2=CC=CC=C2 P102634 [0,1,0,0,0,0|2,0,1]=4 44 B14R2.598 CC1=C(N=C(S1)N)C2=CC=CC=C2 A169445 [0,1,0,0,0,0|0,1,2]=4 45 B14R2.598 CC1=C(N=C(S1)N)C2=CC=CC=C2 M183838 [0,1,0,0,0,0|0,1,2]=4 46 B14R2.598 CC1C(OC(=O)N1)C2=CC=CC=C2 I167709 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.27 CCC(=O)OCC1=CC=CC=C1 B151869 [0,0,1,0,0,0|3,0,0]=4 48 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M158709 [0,0,1,0,0,0|2,0,1]=4 49 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M106187 [0,0,1,0,0,0|2,0,1]=4 50 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M167947 [0,0,1,0,0,0|2,0,1]=4 51 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M420410 [0,0,1,0,0,0|2,0,1]=4 52 B12R1.27 COC(=O)CCC1=CC=CC=C1 M103601 [0,0,1,0,0,0|2,0,0]=3 53 B12R1.27 COC(=O)CCC1=CC=CC=C1 M140616 [0,0,1,0,0,0|2,0,0]=3 54 B12R1.27 COC(=O)COC1=CC=CC=C1 M138460 [0,0,1,0,0,0|3,0,0]=4 55 B12R1.27 COC(=O)CSC1=CC=CC=C1 M101824 [0,0,1,0,0,0|3,0,0]=4 56 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N P113810 [0,0,1,0,0,0|3,0,0]=4 57 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N R160918 [0,0,1,0,0,0|3,0,0]=4 58 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N S193296 [0,0,1,0,0,0|3,0,0]=4 59 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)O H157337 [0,0,1,0,0,0|3,0,0]=4 60 B12R1.107 CC(C1=CC=CC=C1)NC(=O)C D303544 [0,0,1,0,0,0|1,0,2]=4 61 B12R1.107 CC(C1=CC=CC=C1)OC(=O)C P195955 [0,0,1,0,0,0|2,0,1]=4 62 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 P133853 [0,0,1,0,0,0|2,0,0]=3 63 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M192082 [0,0,1,0,0,0|3,0,0]=4 64 B12R1.252 C1=CC=C(C=C1)CCCC(=O)O P132032 [0,0,1,0,0,0|3,0,0]=4 65 B12R1.252 C1=CC=C(C=C1)CCCC(=O)O P422236 [0,0,1,0,0,0|3,0,0]=4 66 B12R1.252 C1=CC=C(C=C1)CCCC(=O)[O-] S305161 [0,0,1,0,0,0|3,0,0]=4 67 B12R1.252 CC(=O)NCCC1=CC=CC=C1 N159423 [0,0,1,0,0,0|3,0,0]=4 68 B12R1.252 CC(=O)OCCC1=CC=CC=C1 P160150 [0,0,1,0,0,0|2,0,0]=3 69 B14R2.19 C1=CC=C(C=C1)CN2C=CC(=N2)N B168574 [0,0,0,0,0,1|2,0,1]=4 70 B14R2.19 C1C(NC(=O)O1)CC2=CC=CC=C2 B117491 [0,0,0,0,0,1|1,0,1]=3 71 B14R2.19 C1C(NC(=O)O1)CC2=CC=CC=C2 B117536 [0,0,0,0,0,1|1,0,1]=3 72 B14R2.19 C1C(NC(=O)O1)CC2=CC=CC=C2 B117537 [0,0,0,0,0,1|1,0,1]=3 73 B14R2.19 C1C(NC(=S)O1)CC2=CC=CC=C2 R464185 [0,0,0,0,0,1|1,0,1]=3 74 B14R2.19 C1C(NC(=S)O1)CC2=CC=CC=C2 S464396 [0,0,0,0,0,1|1,0,1]=3 75 B14R2.19 C1C(NC(=S)S1)CC2=CC=CC=C2 S464076 [0,0,0,0,0,1|1,1,1]=4 76 B14R2.21 C1=CC=C(C=C1)C2=NC(=NC=C2)N A168818 [0,0,0,0,0,1|1,0,2]=4 77 B14R2.21 C1CC(CC(=O)C1)C2=CC=CC=C2 P337741 [0,0,0,0,0,1|3,0,0]=4 78 B14R2.68 C1=CC=C(C=C1)C2=CN=C(C=C2)N A135460 [0,0,0,0,0,1|1,0,2]=4 79 B14R2.68 C1=CC=C(C=C1)C2=CN=C(C=N2)N A151408 [0,0,0,0,0,1|1,0,2]=4 80 B14R2.68 C1CC(=O)CCC1C2=CC=CC=C2 P134663 [0,0,0,0,0,1|3,0,0]=4 81 B14R2.68 C1CC(=O)NN=C1C2=CC=CC=C2 D405725 [0,0,0,0,0,1|2,0,1]=4 82 B11R1.12 C1=CC=C(C=C1)C(CO)CO P160752 [1,0,1,0,0,0|1,0,1]=4 83 B11R1.12 COC(CO)C1=CC=CC=C1 M351712 [1,0,1,0,0,0|1,0,1]=4 84 B11R1.16 C=CCC(C1=CC=CC=C1)O P160315 [1,0,1,0,0,0|2,0,0]=4 85 B11R1.16 CC(C1=CC=CC=C1)N=C=O I132137 [1,0,1,0,0,0|0,0,2]=4 86 B11R1.16 CC(C1=CC=CC=C1)N=C=O R160892 [1,0,1,0,0,0|0,0,2]=4 87 B11R1.16 CC(C1=CC=CC=C1)N=C=S R300627 [1,0,1,0,0,0|0,1,1]=4 88 B11R1.16 CC(CC=O)C1=CC=CC=C1 P468811 [1,0,1,0,0,0|1,0,1]=4 89 B11R1.16 CC(CCO)C1=CC=CC=C1 P169190 [1,0,1,0,0,0|1,0,1]=4 90 B11R1.16 CC(CCO)C1=CC=CC=C1 P638679 [1,0,1,0,0,0|1,0,1]=4 91 B11R1.16 COCC(C1=CC=CC=C1)N R185788 [1,0,1,0,0,0|0,0,2]=4 92 B11R1.28 C1=CC=C(C=C1)CCCCN B292880 [1,0,1,0,0,0|1,0,1]=4 93 B11R1.28 C1=CC=C(C=C1)CCCCN P160136 [1,0,1,0,0,0|1,0,1]=4 94 B11R1.28 C1=CC=C(C=C1)CCCCN P160137 [1,0,1,0,0,0|1,0,1]=4 95 B11R1.28 C1=CC=C(C=C1)CCCCN P493282 [1,0,1,0,0,0|1,0,1]=4 96 B11R1.28 C1=CC=C(C=C1)CCNC=O I168819 [1,0,1,0,0,0|2,0,0]=4 97 B11R1.28 C1=CC=C(C=C1)CCOC=O F302132 [1,0,1,0,0,0|1,0,0]=3 98 B11R1.91 C1=CC=C(C=C1)CCC(=O)N P160460 [1,0,1,0,0,0|1,0,1]=4 99 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109276 [1,0,1,0,0,0|2,0,0]=4 100 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109277 [1,0,1,0,0,0|2,0,0]=4 101 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P424323 [1,0,1,0,0,0|2,0,0]=4 102 B11R1.91 C1=CC=C(C=C1)CN=C(N)N B588431 [1,0,1,0,0,0|1,0,0]=3 103 B11R1.91 C1=CC=C(C=C1)CNC(=O)N B136656 [1,0,1,0,0,0|0,0,2]=4 104 B11R1.91 C1=CC=C(C=C1)CNC(=S)N B152324 [1,0,1,0,0,0|0,1,1]=4 105 B11R1.91 C1=CC=C(C=C1)COC(=O)N B152709 [1,0,1,0,0,0|1,0,1]=4 106 B11R1.91 C1=CC=C(C=C1)CSC(=N)N B105227 [1,0,1,0,0,0|2,0,0]=4 107 B11R1.91 CC(=O)CCC1=CC=CC=C1 P106914 [1,0,1,0,0,0|2,0,0]=4 108 B11R1.91 CC(=O)NCC1=CC=CC=C1 N159297 [1,0,1,0,0,0|1,0,1]=4 109 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109251 [1,0,1,0,0,0|2,0,0]=4 110 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109253 [1,0,1,0,0,0|2,0,0]=4 111 B11R1.91 CC(CCC1=CC=CC=C1)N M168739 [1,0,1,0,0,0|1,0,1]=4 112 B13R1.11 COC(=O)CC(C1=CC=CC=C1)N M343428 [0,1,1,0,0,0|2,0,0]=4 113 B13R1.14 COC(=O)CCC1=CC=C(C=C1)Br M139243 [0,1,1,0,0,0|2,0,0]=4 114 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O M115480 [0,1,1,0,0,0|2,0,0]=4 115 B13R1.15 COC(=O)CCC1=CC(=CC=C1)Br M167459 [0,1,1,0,0,0|2,0,0]=4 116 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 E107514 [0,1,1,0,0,0|2,0,0]=4 117 B13R1.135 COC(=O)C(CC1=CC=CC=C1)N P100531 [0,1,1,0,0,0|2,0,0]=4 118 B13R1.135 COC(=O)C(CC1=CC=CC=C1)N P109006 [0,1,1,0,0,0|2,0,0]=4 119 B13R1.135 COC(=O)C(CC1=CC=CC=C1)O M138182 [0,1,1,0,0,0|2,0,0]=4 120 B13R1.135 COC(=O)C(CC1=CC=CC=C1)O M158823 [0,1,1,0,0,0|2,0,0]=4 121 B13R1.528 COC(=O)CCC1=CC=CC=C1Br M139153 [0,1,1,0,0,0|2,0,0]=4 122 B13R1.528 COC(=O)CCC1=CC=CC=C1F M587241 [0,1,1,0,0,0|2,0,0]=4 123 B13R1.718 C=CC(=O)OCCC1=CC=CC=C1 P303520 [0,1,1,0,0,0|2,0,0]=4 124 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 P160125 [0,1,1,0,0,0|2,0,0]=4 125 B13R2.373 C1=CC=C(C=C1)C2C(C(=O)N2)O R302386 [0,1,0,0,1,0|1,0,1]=4 126 B15R2.98 C1C(NC(=O)O1)CC2=CC=C(C=C2)N A102249 [0,1,0,0,0,1|1,0,1]=4 127 B15R2.327 CC1(C(NC(=O)O1)C2=CC=CC=C2)C I134321 [0,2,0,0,0,0|1,0,1]=4 128 B13R2.423 C1C(C1C(=O)O)C2=CC=CC=C2 T139465 [0,0,1,1,0,0|2,0,0]=4 129 B13R2.163 C1CC2=CC=CC=C2NC(=O)C1 D589134 [0,0,1,1,0,0|2,0,0]=4 130 B13R3.1962 C1C2C=CC1C3=CC=CC=C23 D120187 [1,0,0,1,0,0|2,0,0]=4 131 B11R1.40 CCC(=O)CC1=CC=CC=C1 P160130 [0,0,1,0,1,0|2,0,0]=4 132 B11R1.40 CCC(CC1=CC=CC=C1)N P344719 [0,0,1,0,1,0|1,0,1]=4 133 B11R1.40 COC(=O)CC1=CC=CC=C1 M106997 [0,0,1,0,1,0|1,0,0]=3 134 B11R1.40 COC(=O)CC1=CC=CC=N1 M131920 [0,0,1,0,1,0|2,0,0]=4 135 B11R1.40 COC(=O)CC1=CC=NC=C1 M349198 [0,0,1,0,1,0|2,0,0]=4 136 B11R1.40 COC(=O)NC1=CC=CC=C1 N189095 [0,0,1,0,1,0|1,0,1]=4 137 B11R1.40 COC(=O)OC1=CC=CC=C1 M302459 [0,0,1,0,1,0|2,0,0]=4 138 B11R1.36 C1=CC=C(C=C1)C(C(=O)N)N D189180 [0,0,1,0,1,0|1,0,1]=4 139 B11R1.36 C1=CC=C(C=C1)C(C(=O)N)N S185796 [0,0,1,0,1,0|1,0,1]=4 140 B11R1.36 C1=CC=C(C=C1)C(C(=O)N)O M342074 [0,0,1,0,1,0|1,0,1]=4 141 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br B107957 [0,0,1,0,1,0|2,0,0]=4 142 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Cl C170509 [0,0,1,0,1,0|2,0,0]=4 143 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)F A131766 [0,0,1,0,1,0|2,0,0]=4 144 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N P101745 [0,0,1,0,1,0|2,0,0]=4 145 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N P109235 [0,0,1,0,1,0|2,0,0]=4 146 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N P109236 [0,0,1,0,1,0|2,0,0]=4 147 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O D304135 [0,0,1,0,1,0|2,0,0]=4 148 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M104996 [0,0,1,0,1,0|2,0,0]=4 149 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M104997 [0,0,1,0,1,0|2,0,0]=4 150 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M107076 [0,0,1,0,1,0|2,0,0]=4 151 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M111210 [0,0,1,0,1,0|2,0,0]=4 152 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O R425065 [0,0,1,0,1,0|2,0,0]=4 153 B11R1.36 CC(C1=CC=CC=C1)C(=O)O B102422 [0,0,1,0,1,0|1,0,0]=3 154 B11R1.36 CC(C1=CC=CC=C1)C(=O)O P102421 [0,0,1,0,1,0|1,0,0]=3 155 B11R1.36 CC(C1=CC=CC=C1)C(=O)O P128106 [0,0,1,0,1,0|1,0,0]=3 156 B11R1.36 CC(C1=CC=CC=C1)C(=O)O P424260 [0,0,1,0,1,0|1,0,0]=3 157 B11R2.4 C1C(C1N)C2=CC=CC=C2 R132818 [0,0,0,0,2,0|0,0,1]=3 158 B11R2.4 C1C(C1N)C2=CC=CC=C2 T275460 [0,0,0,0,2,0|0,0,1]=3 159 B11R2.4 C1C(C1N)C2=CC=CC=C2 T422413 [0,0,0,0,2,0|0,0,1]=3 160 B13R1.337 C1=CC=C(C=C1)CCCOC(=O)N P304341 [0,0,1,0,0,1|1,0,0]=3 161 B13R1.337 CC(=O)OCCOC1=CC=CC=C1 P135656 [0,0,1,0,0,1|2,0,0]=4 162 B13R1.337 CC(=O)OCCOC1=CC=CC=C1 P140972 [0,0,1,0,0,1|2,0,0]=4