0 B13R2.369 C1=CC2=CC(=C(C=C2N=C1)F)Br B586897 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.369 C1=CC=C2C(=C1)C=C(C(=N2)I)Br B469823 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.369 C1=CC=C2C(=C1)C=C(C(=O)N2)Br B467471 [0,0,0,0,0,0|1,0,0]=1 3 B13R2.369 C1=CC=C2C(=C1)C=C(C(=O)O2)N A151702 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.369 C1=CC=C2C(=C1)C=C(C(=O)O2)O H305006 [0,0,0,0,0,0|1,0,0]=1 5 B13R2.369 C1=CC=C2C(=C1)N=C(C(=N2)Cl)Cl D123530 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.369 C1=CC=C2C(=C1)NC(=O)C(=O)N2 D123522 [0,0,0,0,0,0|1,0,1]=2 7 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)Br)Br D155587 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)N)N D110922 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)N)O A133883 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)O)Br B152849 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)O)Br B474670 [0,0,0,0,0,0|2,0,0]=2 12 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)O)O D103157 [0,0,0,0,0,0|1,0,1]=2 13 B13R2.369 C1=CN=CC2=C1NC(=O)C(=O)N2 P588840 [0,0,0,0,0,0|2,0,1]=3 14 B13R2.369 CC1=CC2=C(C=CC=N2)C=C1Br B180449 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.369 CC1=CC2=CC=CC=C2C=C1C D154999 [0,0,0,0,0,0|3,0,0]=3 16 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl C136403 [0,0,0,0,0,0|2,0,1]=3 17 B13R2.369 CC1=NC2=CC=CC=C2N=C1C D123515 [0,0,0,0,0,0|3,0,1]=4 18 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl C169579 [0,0,0,0,0,0|3,0,1]=4 19 B12R2.24 C1=CC(=CC2=C1C=CN=C2)Br B152696 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.24 C1=CC(=CC2=C1C=CN=C2)O H136867 [1,0,0,0,0,0|2,0,0]=3 21 B12R2.24 C1=CC2=C(C=C(C=C2)Br)N=C1 B152697 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.24 C1=CC2=C(C=C(C=C2)Cl)N=C1 C153507 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.24 C1=CC2=C(C=C(C=C2)N)N=C1 A180566 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.24 C1=CC2=C(C=C(C=C2)N)N=C1 A185350 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.24 C1=CC2=C(C=C(C=C2)O)N=C1 H121631 [1,0,0,0,0,0|2,0,0]=3 26 B12R2.24 C1=CC2=C(C=C(C=N2)Br)N=C1 B182212 [1,0,0,0,0,0|2,0,1]=4 27 B12R2.24 C1=CC2=C(C=C(C=N2)I)N=C1 I166626 [1,0,0,0,0,0|2,0,1]=4 28 B12R2.24 C1=CC2=C(C=C(C=N2)N)N=C1 N167379 [1,0,0,0,0,0|2,0,1]=4 29 B12R2.24 C1=CC2=C(C=CC(=C2)Br)N=C1 B101593 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.24 C1=CC2=C(C=CC(=C2)Cl)N=C1 C136969 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.24 C1=CC2=C(C=CC(=C2)F)N=C1 F121640 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.24 C1=CC2=C(C=CC(=C2)I)N=C1 I157528 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.24 C1=CC2=C(C=CC(=C2)N)N=C1 A115315 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.24 C1=CC2=C(C=CC(=C2)O)N=C1 H101596 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.24 C1=CC2=C(C=CN=C2)C=C1Br B134936 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.24 C1=CC2=C(C=CN=C2)C=C1Cl C407460 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.24 C1=CC2=C(C=CN=C2)C=C1N I175855 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.24 C1=CC2=NC=CN=C2C=C1O Q160827 [1,0,0,0,0,0|3,0,0]=4 39 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br B113800 [1,0,0,0,0,0|1,0,1]=3 40 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Cl C185561 [1,0,0,0,0,0|1,0,1]=3 41 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)N A151247 [1,0,0,0,0,0|1,0,1]=3 42 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O H102245 [1,0,0,0,0,0|0,0,1]=2 43 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Br B123564 [1,0,0,0,0,0|1,0,1]=3 44 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Cl C110279 [1,0,0,0,0,0|1,0,1]=3 45 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)N A136404 [1,0,0,0,0,0|1,0,1]=3 46 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)N2 Q160822 [1,0,0,0,0,0|0,0,0]=1 47 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104161 [1,0,0,0,0,0|1,0,0]=2 48 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104165 [1,0,0,0,0,0|1,0,0]=2 49 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104166 [1,0,0,0,0,0|1,0,0]=2 50 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C357823 [1,0,0,0,0,0|1,0,0]=2 51 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C426918 [1,0,0,0,0,0|1,0,0]=2 52 B12R2.24 C1=CC=C2C(=C1)N=CC(=N2)Br B123033 [1,0,0,0,0,0|2,0,1]=4 53 B12R2.24 C1=CC=C2C(=C1)N=CC(=N2)Cl C132475 [1,0,0,0,0,0|2,0,1]=4 54 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 Q102233 [1,0,0,0,0,0|1,0,0]=2 55 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Br B122362 [1,0,0,0,0,0|2,0,0]=3 56 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl C304963 [1,0,0,0,0,0|2,0,0]=3 57 B12R2.24 C1=CC=C2C=C(C=CC2=C1)I I171169 [1,0,0,0,0,0|2,0,0]=3 58 B12R2.24 C1=CC=C2C=C(C=CC2=C1)N N113461 [1,0,0,0,0,0|2,0,0]=3 59 B12R2.24 C1=CC=C2C=C(C=CC2=C1)N N140874 [1,0,0,0,0,0|2,0,0]=3 60 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108421 [1,0,0,0,0,0|1,0,0]=2 61 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108422 [1,0,0,0,0,0|1,0,0]=2 62 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108423 [1,0,0,0,0,0|1,0,0]=2 63 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N421336 [1,0,0,0,0,0|1,0,0]=2 64 B12R2.24 C1=CC=C2C=C(C=CC2=C1)S N101787 [1,0,0,0,0,0|1,1,0]=3 65 B12R2.24 C1=CC=C2C=C(C=CC2=C1)[NH3+] N493715 [1,0,0,0,0,0|2,0,0]=3 66 B12R2.24 C1=CC=C2C=NC(=CC2=C1)Cl C182458 [1,0,0,0,0,0|3,0,0]=4 67 B12R2.24 C1=CC=C2C=NC(=CC2=C1)N I135729 [1,0,0,0,0,0|3,0,0]=4 68 B12R2.24 C1=CC=C2C=[N+](C=CC2=C1)[O-] I167508 [1,0,0,0,0,0|2,0,1]=4 69 B12R2.24 C1C(=O)NC2=C(O1)C=CC=N2 H137095 [1,0,0,0,0,0|2,0,1]=4 70 B12R2.24 C1C(=O)NC2=C(O1)C=CN=C2 H165504 [1,0,0,0,0,0|2,0,1]=4 71 B12R2.24 C1C(=O)NC2=C(O1)N=CC=C2 H167101 [1,0,0,0,0,0|2,0,1]=4 72 B12R2.24 C1C(=O)NC2=CC=CC=C2O1 H157370 [1,0,0,0,0,0|1,0,1]=3 73 B12R2.24 C1C(=O)NC2=CC=CC=C2S1 H157316 [1,0,0,0,0,0|1,0,1]=3 74 B12R2.24 C1C2=CC=CC=C2COC1=O I138843 [1,0,0,0,0,0|2,0,1]=4 75 B12R2.24 C1CC(=O)NC2=CC=CC=C21 D336131 [1,0,0,0,0,0|0,0,2]=3 76 B12R2.24 C1CC(=O)OC2=CC=CC=C21 D107582 [1,0,0,0,0,0|1,0,2]=4 77 B12R2.24 C1CC(=O)OC2=CC=CC=C21 D420880 [1,0,0,0,0,0|1,0,2]=4 78 B12R2.24 C1CC2=CC=CC=C2CC1=O T107488 [1,0,0,0,0,0|1,0,2]=4 79 B12R2.24 CC1=CC2=C(C=C1)C=NC=C2 M184470 [1,0,0,0,0,0|3,0,0]=4 80 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 M109545 [1,0,0,0,0,0|3,0,0]=4 81 B12R2.24 CC1=CC2=C(C=CC=N2)C=C1 M110340 [1,0,0,0,0,0|3,0,0]=4 82 B12R2.24 CC1=CC2=CC=CC=C2C=C1 M104862 [1,0,0,0,0,0|2,0,0]=3 83 B12R2.24 CC1=CC2=CC=CC=C2C=C1 M119488 [1,0,0,0,0,0|2,0,0]=3 84 B12R2.24 CC1=CC2=CC=CC=C2C=N1 M165965 [1,0,0,0,0,0|3,0,0]=4 85 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M103608 [1,0,0,0,0,0|1,0,1]=3 86 B12R2.24 CC1=NC2=C(C=C1)N=CC=C2 M177403 [1,0,0,0,0,0|2,0,1]=4 87 B12R2.24 CC1=NC2=C(C=CC=N2)C=C1 M138309 [1,0,0,0,0,0|2,0,1]=4 88 B12R2.24 CC1=NC2=CC=CC=C2C=C1 Q107985 [1,0,0,0,0,0|1,0,1]=3 89 B12R2.24 CC1=NC2=CC=CC=C2N=C1 M123517 [1,0,0,0,0,0|2,0,1]=4 90 B14R2.1128 C1=CC=C2C(=C1)C=C(C(=N2)Cl)C#N C337931 [0,1,0,0,0,0|2,0,1]=4 91 B14R2.1128 C1=CC=C2C(=C1)C=C(C(=N2)Cl)C=O C133579 [0,1,0,0,0,0|1,0,2]=4 92 B14R2.1128 C1=CC=C2C(=C1)C=C(C(=N2)Cl)CCl C124062 [0,1,0,0,0,0|2,0,1]=4 93 B14R2.1128 C1=CC=C2C(=C1)C=C(C(=N2)Cl)CO C166758 [0,1,0,0,0,0|1,0,1]=3 94 B14R2.1128 C1=CC=C2C(=C1)C=C(C(=O)N2)C=O O188068 [0,1,0,0,0,0|0,0,1]=2 95 B14R2.1128 C1=CC=C2C=C(C(=CC2=C1)C=O)O H185354 [0,1,0,0,0,0|1,0,0]=2 96 B14R2.1128 CCC1=CC2=CC=CC=C2N=C1Cl C479348 [0,1,0,0,0,0|2,0,1]=4 97 B14R2.1128 COC1=CC2=CC=CC=C2C=C1Br B405166 [0,1,0,0,0,0|2,0,0]=3 98 B14R2.1128 COC1=CC2=CC=CC=C2C=C1O M468878 [0,1,0,0,0,0|1,0,1]=3 99 B14R2.8188 C1C(C(=O)N(C2=CC=CC=C21)O)N P167978 [0,1,0,0,0,0|1,0,2]=4 100 B14R2.8188 C1C2=CC=CC=C2C(=O)N(C1=O)O H332991 [0,1,0,0,0,0|2,0,0]=3 101 B14R2.8239 C1=CC(=O)OC2=CC(=C(C=C21)O)O D114065 [0,1,0,0,0,0|2,0,1]=4 102 B14R2.8239 C1=CC(=O)OC2=CC(=C(C=C21)O)O D118867 [0,1,0,0,0,0|2,0,1]=4 103 B14R2.8239 C1=CC(=O)OC2=CC(=C(C=C21)O)O D423160 [0,1,0,0,0,0|2,0,1]=4 104 B14R2.8239 CC1=CC2=C(C=C(C=C2)Br)N=C1Cl B336782 [0,1,0,0,0,0|2,0,1]=4 105 B14R2.8239 CC1=CC2=C(C=C1)C=C(C(=N2)Cl)C C479429 [0,1,0,0,0,0|2,0,1]=4 106 B14R2.8239 CC1=CC2=C(C=C1)N=C(C(=C2)C)Cl C166954 [0,1,0,0,0,0|2,0,1]=4 107 B14R2.8239 CC1=CC2=C(C=C1)NC(=O)C(=O)N2 D155127 [0,1,0,0,0,0|1,0,1]=3 108 B14R2.8239 CC1=CC2=C(C=CC(=C2)Br)N=C1Cl B165986 [0,1,0,0,0,0|2,0,1]=4 109 B14R2.8239 CC1=CC2=C(C=CC(=C2)Cl)N=C1Cl D166955 [0,1,0,0,0,0|2,0,1]=4 110 B14R2.8239 CC1=CC2=C(C=CC(=C2)Cl)N=C1N A167119 [0,1,0,0,0,0|2,0,1]=4 111 B14R2.8239 CC1=CC2=C(C=CC(=C2)F)N=C1Cl C166937 [0,1,0,0,0,0|2,0,1]=4 112 B14R2.8239 CC1=CC2=C(C=CC(=C2)F)N=C1N A168383 [0,1,0,0,0,0|2,0,1]=4 113 B14R2.8239 CC1C(=O)NC2=C(O1)C=CC(=C2)Cl C154017 [0,1,0,0,0,0|2,0,1]=4 114 B12R1.43 C1=CC=C(C=C1)CC(=O)C(=O)O P107007 [0,0,1,0,0,0|2,0,0]=3 115 B12R1.43 C1=CC=C(C=C1)CC(=O)C(=O)O P421862 [0,0,1,0,0,0|2,0,0]=3 116 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N H586335 [0,0,1,0,0,0|1,0,2]=4 117 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N P105974 [0,0,1,0,0,0|1,0,2]=4 118 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N S136991 [0,0,1,0,0,0|1,0,2]=4 119 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O D425723 [0,0,1,0,0,0|1,0,2]=4 120 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O P102441 [0,0,1,0,0,0|1,0,2]=4 121 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O P102443 [0,0,1,0,0,0|1,0,2]=4 122 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O P113801 [0,0,1,0,0,0|1,0,2]=4 123 B12R1.43 C1=CC=C(C=C1)NC(=O)C(=O)O A354609 [0,0,1,0,0,0|1,0,0]=2 124 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B152644 [0,0,1,0,0,0|2,0,1]=4 125 B12R1.43 CC(=C)C(=O)NC1=CC=CC=C1 N159436 [0,0,1,0,0,0|1,0,0]=2 126 B12R1.43 CC(=C)C(=O)NC1=CC=CC=C1 N491276 [0,0,1,0,0,0|1,0,0]=2 127 B12R1.43 CC(=C)C(=O)OC1=CC=CC=C1 P122856 [0,0,1,0,0,0|2,0,0]=3 128 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O M102145 [0,0,1,0,0,0|2,0,0]=3 129 B12R1.43 CC(=CC1=CC=CC=C1)[N+](=O)[O-] I136758 [0,0,1,0,0,0|3,0,0]=4 130 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 F298761 [0,0,1,0,0,0|2,0,1]=4 131 B12R2.18 C1=CC2=C(NC(=O)C2=O)N=C1 H193970 [0,0,0,0,1,0|1,0,1]=3 132 B12R2.18 C1=CC=C2C(=C1)C(=C(S2)Br)Br D405726 [0,0,0,0,1,0|3,0,0]=4 133 B12R2.18 C1=CC=C2C(=C1)C(=C(S2)I)Br B587166 [0,0,0,0,1,0|3,0,0]=4 134 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 I104664 [0,0,0,0,1,0|0,0,1]=2 135 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 I104665 [0,0,0,0,1,0|0,0,1]=2 136 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 I426911 [0,0,0,0,1,0|0,0,1]=2 137 B12R2.18 C1=CC=C2C(=C1)C(C(=O)N2)Br B588267 [0,0,0,0,1,0|1,0,1]=3 138 B12R2.18 C1C2=CC=CC=C2C(=O)C1=O I119930 [0,0,0,0,1,0|0,0,2]=3 139 B12R2.18 CC1=C(C2=CC=CC=C2S1)Br B189377 [0,0,0,0,1,0|3,0,0]=4 140 B12R2.18 CC1=C(NC2=CC=CC=C12)C D103560 [0,0,0,0,1,0|2,0,0]=3 141 B12R2.18 CC1=CC2=CC=CC=C2N1C D103559 [0,0,0,0,1,0|3,0,0]=4 142 B12R2.18 CC1C2=C(NC1=O)N=CC=C2 M173373 [0,0,0,0,1,0|2,0,1]=4 143 B12R2.18 CC1C2=CC=CC=C2NC1=O M115491 [0,0,0,0,1,0|1,0,1]=3 144 B12R2.18 CC1CC2=CC=CC=C2C1=O M587676 [0,0,0,0,1,0|1,0,2]=4 145 B12R2.18 CN1C(=O)CC2=CC=CC=C21 M115489 [0,0,0,0,1,0|3,0,0]=4 146 B12R2.100 C1=CNC2=CC(=C(C=C21)O)O D183610 [0,0,0,0,1,0|2,0,1]=4 147 B14R2.741 C1CC2=CC=CC=C2NC(=O)C1Br B153195 [0,0,0,0,0,1|1,0,2]=4 148 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br B102162 [1,0,1,0,0,0|1,0,0]=3 149 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Cl C102191 [1,0,1,0,0,0|1,0,0]=3 150 B11R1.40 C1=CC=C(C=C1)NC(=O)CCl C469406 [1,0,1,0,0,0|1,0,1]=4 151 B11R1.40 C1=CC=C(C=C1)NC(=O)NN P160543 [1,0,1,0,0,0|2,0,0]=4 152 B11R1.40 C=CC(=O)NC1=CC=CC=C1 N159041 [1,0,1,0,0,0|0,0,0]=2 153 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P122863 [1,0,1,0,0,0|1,0,0]=3 154 B11R1.40 CC(=CC1=CC=CC=C1)C=O M102181 [1,0,1,0,0,0|1,0,0]=3 155 B11R1.40 CC(=CC1=CC=CC=C1)C=O M302967 [1,0,1,0,0,0|1,0,0]=3 156 B11R1.40 CCC(=O)NC1=CC=CC=C1 N136678 [1,0,1,0,0,0|0,0,2]=4 157 B11R1.40 COC(=O)NC1=CC=CC=C1 N189095 [1,0,1,0,0,0|1,0,1]=4 158 B11R1.91 C1=CC(=CN=C1)C=CC(=O)O P160635 [1,0,1,0,0,0|2,0,0]=4 159 B11R1.91 C1=CC(=CN=C1)C=CC(=O)O T138424 [1,0,1,0,0,0|2,0,0]=4 160 B11R1.91 C1=CC=C(C=C1)C#CC(=O)N P589991 [1,0,1,0,0,0|0,0,2]=4 161 B11R1.91 C1=CC=C(C=C1)C=CC(=O)Cl C106841 [1,0,1,0,0,0|1,0,0]=3 162 B11R1.91 C1=CC=C(C=C1)C=CC(=O)Cl T347639 [1,0,1,0,0,0|1,0,0]=3 163 B11R1.91 C1=CC=C(C=C1)C=CC(=O)N C101731 [1,0,1,0,0,0|0,0,0]=2 164 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108494 [1,0,1,0,0,0|1,0,0]=3 165 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108495 [1,0,1,0,0,0|1,0,0]=3 166 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108496 [1,0,1,0,0,0|1,0,0]=3 167 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108497 [1,0,1,0,0,0|1,0,0]=3 168 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O P478163 [1,0,1,0,0,0|1,0,0]=3 169 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O T421496 [1,0,1,0,0,0|1,0,0]=3 170 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] C167677 [1,0,1,0,0,0|1,0,0]=3 171 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] C170870 [1,0,1,0,0,0|1,0,0]=3 172 B11R1.91 C1=CC=C(C=C1)C=C[N+](=O)[O-] N122699 [1,0,1,0,0,0|2,0,0]=4 173 B11R1.91 C1=CC=C(C=C1)CCC(=O)N P160460 [1,0,1,0,0,0|0,0,2]=4 174 B11R1.91 C1=CC=C(C=C1)CNC(=O)N B136656 [1,0,1,0,0,0|1,0,1]=4 175 B11R1.91 C1=CC=C(C=C1)COC(=O)N B152709 [1,0,1,0,0,0|1,0,1]=4 176 B11R1.91 C1=CC=C(C=C1)NCC(=O)N A357212 [1,0,1,0,0,0|1,0,1]=4 177 B11R1.91 C1=CC=C(C=C1)NCC(=O)O P111407 [1,0,1,0,0,0|1,0,1]=4 178 B11R1.91 C1=CC=C(C=C1)NNC(=O)N P160542 [1,0,1,0,0,0|2,0,0]=4 179 B11R1.91 C1=CC=C(C=C1)OCC(=O)N P300417 [1,0,1,0,0,0|1,0,1]=4 180 B11R1.91 C1=CC=NC(=C1)C=CC(=O)O E189192 [1,0,1,0,0,0|2,0,0]=4 181 B11R1.91 C1=CN=CC=C1C=CC(=O)O P160631 [1,0,1,0,0,0|2,0,0]=4 182 B11R1.91 C1=CN=CC=C1C=CC(=O)O T189221 [1,0,1,0,0,0|2,0,0]=4 183 B11R1.91 CC(=O)C=CC1=CC=CC=C1 P111783 [1,0,1,0,0,0|1,0,0]=3 184 B11R1.91 CC(=O)C=CC1=CC=CC=C1 P111784 [1,0,1,0,0,0|1,0,0]=3 185 B11R1.91 CC(=O)C=CC1=CC=CC=C1 T121970 [1,0,1,0,0,0|1,0,0]=3 186 B11R1.17 C1=CC=C(C(=C1)C=CC=O)Br E302788 [1,0,1,0,0,0|1,0,0]=3 187 B11R1.17 C1=CC=C(C(=C1)C=CC=O)O H157419 [1,0,1,0,0,0|1,0,0]=3 188 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br B113791 [1,0,1,0,0,0|1,0,1]=4 189 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Cl C103598 [1,0,1,0,0,0|1,0,1]=4 190 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)F F107762 [1,0,1,0,0,0|1,0,1]=4 191 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)I I103139 [1,0,1,0,0,0|1,0,1]=4 192 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)N A169654 [1,0,1,0,0,0|0,0,1]=3 193 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O H102037 [1,0,1,0,0,0|1,0,1]=4 194 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O H425093 [1,0,1,0,0,0|1,0,1]=4 195 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O H501351 [1,0,1,0,0,0|1,0,1]=4 196 B11R1.86 C1=CC=C(C(=C1)NC(=O)N)Br B152705 [1,0,1,0,0,0|2,0,0]=4 197 B11R1.86 CC(=O)NC1=CC=CC=C1Br B152714 [1,0,1,0,0,0|1,0,1]=4 198 B11R1.86 CC(=O)NC1=CC=CC=C1Cl C153728 [1,0,1,0,0,0|1,0,1]=4 199 B11R1.86 CC(=O)NC1=CC=CC=C1F F156682 [1,0,1,0,0,0|1,0,1]=4 200 B11R1.86 CC(=O)NC1=CC=CC=C1I I464440 [1,0,1,0,0,0|1,0,1]=4 201 B11R1.86 CC(=O)NC1=CC=CC=C1N A135471 [1,0,1,0,0,0|1,0,1]=4 202 B11R1.86 CC(=O)NC1=CC=CC=C1O A107221 [1,0,1,0,0,0|1,0,1]=4 203 B11R1.86 CC1=CC=CC=C1CC(=O)O T110067 [1,0,1,0,0,0|1,0,1]=4 204 B11R1.86 CC1=CC=CC=C1NC(=O)C O160015 [1,0,1,0,0,0|0,0,2]=4 205 B11R1.86 CC1=CC=CC=C1NC(=O)N O159960 [1,0,1,0,0,0|1,0,1]=4 206 B11R2.20 C1=CC2=C(C=CC=N2)N=C1 N133086 [2,0,0,0,0,0|1,0,1]=4 207 B11R2.20 C1=CC2=C(N=C1)N=CC=C2 N133764 [2,0,0,0,0,0|1,0,1]=4 208 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 Q110656 [2,0,0,0,0,0|0,0,1]=3 209 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 Q110657 [2,0,0,0,0,0|0,0,1]=3 210 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 Q110658 [2,0,0,0,0,0|0,0,1]=3 211 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 Q134192 [2,0,0,0,0,0|0,0,1]=3 212 B11R2.20 C1=CC=C2C(=C1)C=CC=[NH+]2 Q160825 [2,0,0,0,0,0|0,0,1]=3 213 B11R2.20 C1=CC=C2C(=C1)C=NC=N2 Q107983 [2,0,0,0,0,0|1,0,1]=4 214 B11R2.20 C1=CC=C2C(=C1)N=CC=N2 Q160826 [2,0,0,0,0,0|1,0,1]=4 215 B11R2.20 C1=CC=C2C=CC=CC2=C1 N110796 [2,0,0,0,0,0|1,0,0]=3 216 B11R2.20 C1=CC=C2C=CC=CC2=C1 N110798 [2,0,0,0,0,0|1,0,0]=3 217 B11R2.20 C1=CC=C2C=CC=CC2=C1 N110799 [2,0,0,0,0,0|1,0,0]=3 218 B11R2.20 C1=CC=C2C=CC=CC2=C1 N110801 [2,0,0,0,0,0|1,0,0]=3 219 B11R2.20 C1=CC=C2C=CC=CC2=C1 N114091 [2,0,0,0,0,0|1,0,0]=3 220 B11R2.20 C1=CC=C2C=CC=CC2=C1 N119547 [2,0,0,0,0,0|1,0,0]=3 221 B11R2.20 C1=CC=C2C=CC=CC2=C1 N128175 [2,0,0,0,0,0|1,0,0]=3 222 B11R2.20 C1=CC=C2C=CC=CC2=C1 N141241 [2,0,0,0,0,0|1,0,0]=3 223 B11R2.20 C1=CC=C2C=NC=CC2=C1 I105573 [2,0,0,0,0,0|2,0,0]=4 224 B11R2.20 C1=CC=C2C=[C-]C=CC2=C1 N140702 [2,0,0,0,0,0|1,0,1]=4 225 B11R2.20 C1=CC=C2[C-]=CC=CC2=C1 N140777 [2,0,0,0,0,0|1,0,0]=3 226 B11R2.20 C1C=CCC2=CC=CC=C21 D155281 [2,0,0,0,0,0|1,0,1]=4 227 B11R2.20 C1CC2=CC=CC=C2C=C1 D155011 [2,0,0,0,0,0|1,0,1]=4 228 B13R1.133 C1=CC(=CC=C1CC(=O)C(=O)O)O H138306 [0,1,1,0,0,0|2,0,0]=4 229 B13R1.133 CC(=C)C(=O)OC1=CC=C(C=C1)O H588692 [0,1,1,0,0,0|2,0,0]=4 230 B13R2.32 C1=CC=C2C(=C1)C(=C(C=N2)Br)Cl B479435 [1,1,0,0,0,0|1,0,1]=4 231 B13R2.32 C1=CC=C2C(=C1)C(=C(C=N2)Br)N A184061 [1,1,0,0,0,0|1,0,1]=4 232 B13R2.32 C1=CC=C2C(=C1)C(=O)C(=CN2)Br B177058 [1,1,0,0,0,0|1,0,0]=3 233 B13R2.32 C1=CC=C2C(=C1)C(=O)C(=CN2)I I139143 [1,1,0,0,0,0|1,0,0]=3 234 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2Br)N B587992 [1,1,0,0,0,0|2,0,0]=4 235 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2Br)O B113799 [1,1,0,0,0,0|1,0,0]=3 236 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2Cl)N C587556 [1,1,0,0,0,0|2,0,0]=4 237 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2Cl)O C405501 [1,1,0,0,0,0|1,0,0]=3 238 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2I)O I168379 [1,1,0,0,0,0|1,0,0]=3 239 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)Br A151779 [1,1,0,0,0,0|2,0,0]=4 240 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)O A113869 [1,1,0,0,0,0|1,0,0]=3 241 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)O D156000 [1,1,0,0,0,0|1,0,0]=3 242 B13R2.32 C1=CC=C2C(=C1)C=CC(=O)C2=O N113473 [1,1,0,0,0,0|1,0,0]=3 243 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)Br B133089 [1,1,0,0,0,0|2,0,0]=4 244 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)C D155010 [1,1,0,0,0,0|2,0,0]=4 245 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)N A111244 [1,1,0,0,0,0|2,0,0]=4 246 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)O M355650 [1,1,0,0,0,0|2,0,0]=4 247 B13R2.32 CC1=C(C=CC2=CC=CC=C12)O M586324 [1,1,0,0,0,0|1,0,0]=3 248 B13R2.32 CC1=[N+](C2=CC=CC=C2C=C1)[O-] M405749 [1,1,0,0,0,0|1,0,1]=4 249 B13R2.32 CN1C(=O)COC2=CC=CC=C21 M168648 [1,1,0,0,0,0|1,0,1]=4 250 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 E156146 [1,1,0,0,0,0|2,0,0]=4 251 B13R2.57 C#CC1=CC2=CC=CC=C2N=C1 E573472 [1,1,0,0,0,0|1,0,1]=4 252 B13R2.57 C1=CC2=C(C=C(C=C2)C=O)N=C1 Q133722 [1,1,0,0,0,0|2,0,0]=4 253 B13R2.57 C1=CC2=C(C=CC(=C2)C=O)N=C1 Q160817 [1,1,0,0,0,0|2,0,0]=4 254 B13R2.57 C1=CC=C2C(=C1)C=C(C=N2)C#N Q103605 [1,1,0,0,0,0|1,0,1]=4 255 B13R2.57 C1=CC=C2C(=C1)C=C(C=N2)C=O Q123866 [1,1,0,0,0,0|0,0,2]=4 256 B13R2.57 C1=CC=C2C(=C1)C=CC(=N2)C#N Q160818 [1,1,0,0,0,0|1,0,1]=4 257 B13R2.57 C1=CC=C2C(=C1)C=CC(=N2)C=O Q106458 [1,1,0,0,0,0|0,0,1]=3 258 B13R2.57 C1=CC=C2C(=C1)C=CC(=N2)CBr B120449 [1,1,0,0,0,0|1,0,1]=4 259 B13R2.57 C1=CC=C2C(=C1)C=CC(=N2)CCl C153509 [1,1,0,0,0,0|1,0,1]=4 260 B13R2.57 C1=CC=C2C(=C1)C=CC(=N2)CO Q182183 [1,1,0,0,0,0|0,0,2]=4 261 B13R2.57 C1=CC=C2C(=C1)C=CC(=N2)NN H157236 [1,1,0,0,0,0|1,0,1]=4 262 B13R2.57 C1=CC=C2C(=C1)N=CC(=N2)C=O Q337874 [1,1,0,0,0,0|1,0,1]=4 263 B13R2.57 C1=CC=C2C=C(C=CC2=C1)C#N N113458 [1,1,0,0,0,0|2,0,0]=4 264 B13R2.57 C1=CC=C2C=C(C=CC2=C1)C=O N106388 [1,1,0,0,0,0|1,0,0]=3 265 B13R2.57 C1=CC=C2C=C(C=CC2=C1)CBr B102137 [1,1,0,0,0,0|2,0,0]=4 266 B13R2.57 C1=CC=C2C=C(C=CC2=C1)CCl C132860 [1,1,0,0,0,0|2,0,0]=4 267 B13R2.57 C1=CC=C2C=C(C=CC2=C1)CN N192153 [1,1,0,0,0,0|2,0,0]=4 268 B13R2.57 C1=CC=C2C=C(C=CC2=C1)CO N113457 [1,1,0,0,0,0|1,0,0]=3 269 B13R2.57 C1=CC=C2C=C(C=CC2=C1)NN N192155 [1,1,0,0,0,0|2,0,0]=4 270 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 V102929 [1,1,0,0,0,0|2,0,0]=4 271 B13R2.57 CCC1=CC2=CC=CC=C2C=C1 E465584 [1,1,0,0,0,0|2,0,0]=4 272 B13R2.57 COC1=CC2=C(C=C1)C=CN=C2 M184299 [1,1,0,0,0,0|2,0,0]=4 273 B13R2.57 COC1=CC2=C(C=C1)C=NC=C2 M185006 [1,1,0,0,0,0|2,0,0]=4 274 B13R2.57 COC1=CC2=C(C=C1)N=CC=C2 M105654 [1,1,0,0,0,0|2,0,0]=4 275 B13R2.57 COC1=CC2=CC=CC=C2C=C1 M115324 [1,1,0,0,0,0|1,0,0]=3 276 B13R2.57 COC1=CC2=CC=CC=C2N=C1 M186065 [1,1,0,0,0,0|0,0,1]=3 277 B13R2.57 [C-]#[N+]C1=CC2=CC=CC=C2C=C1 N300166 [1,1,0,0,0,0|2,0,0]=4 278 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)Br)Br D101018 [1,1,0,0,0,0|2,0,0]=4 279 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)Br)O B152877 [1,1,0,0,0,0|1,0,0]=3 280 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)O)O D104853 [1,1,0,0,0,0|1,0,0]=3 281 B13R2.155 C1=CC(=CC2=C1C=CC(=N2)Cl)Br B178613 [1,1,0,0,0,0|1,0,1]=4 282 B13R2.155 C1=CC(=CC2=C1C=CC(=O)N2)Cl C182968 [1,1,0,0,0,0|0,0,0]=2 283 B13R2.155 C1=CC(=CC2=C1C=CC(=O)N2)O H177239 [1,1,0,0,0,0|0,0,0]=2 284 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O H109351 [1,1,0,0,0,0|1,0,0]=3 285 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O H109352 [1,1,0,0,0,0|1,0,0]=3 286 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O H426983 [1,1,0,0,0,0|1,0,0]=3 287 B13R2.155 C1=CC(=NC2=C1C=CC(=O)N2)N A587906 [1,1,0,0,0,0|1,0,0]=3 288 B13R2.155 C1=CC(=O)NC2=C1C=CC(=N2)F F186892 [1,1,0,0,0,0|1,0,0]=3 289 B13R2.155 C1=CC2=C(C=C1Br)NC(=O)C=N2 B186755 [1,1,0,0,0,0|1,0,0]=3 290 B13R2.155 C1=CC2=NC=C(C=C2C=C1Br)O B193893 [1,1,0,0,0,0|0,0,1]=3 291 B13R2.155 C1=CC2=NC=C(C=C2C=C1N)Br B186172 [1,1,0,0,0,0|1,0,1]=4 292 B13R2.155 C1C(=O)NC2=C(O1)C=CC(=C2)Br B119100 [1,1,0,0,0,0|1,0,1]=4 293 B13R2.155 C1C(=O)NC2=C(O1)C=CC(=C2)Cl C186487 [1,1,0,0,0,0|1,0,1]=4 294 B13R2.155 C1C(=O)NC2=C(O1)C=CC(=C2)N A187938 [1,1,0,0,0,0|1,0,1]=4 295 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)Br B181550 [1,1,0,0,0,0|0,0,2]=4 296 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)N A483794 [1,1,0,0,0,0|0,0,2]=4 297 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)O H108011 [1,1,0,0,0,0|0,0,2]=4 298 B13R2.155 CC1=CC2=C(C=C1)C=CC(=C2)C D155001 [1,1,0,0,0,0|2,0,0]=4 299 B13R2.155 CC1=CC2=C(C=C1)C=CC(=O)O2 M158663 [1,1,0,0,0,0|1,0,0]=3 300 B13R2.155 CC1=CC2=C(C=CC(=C2)Br)N=C1 B480637 [1,1,0,0,0,0|1,0,1]=4 301 B13R2.155 CC1=NC2=C(C=C1)C=CC(=C2)Br B193577 [1,1,0,0,0,0|1,0,1]=4 302 B13R2.155 CC1=NC2=C(C=C1)C=CC(=C2)Cl C103602 [1,1,0,0,0,0|1,0,1]=4 303 B13R2.162 C1=CC2=C(C(=C1)Br)N=C(C=C2)Cl B181907 [1,1,0,0,0,0|1,0,1]=4 304 B13R2.162 C1=CC2=C(C(=C1)Cl)N=C(C=C2)Cl D124597 [1,1,0,0,0,0|1,0,1]=4 305 B13R2.162 C1=CC2=C(C(=C1)Cl)NC(=O)C=C2 C168922 [1,1,0,0,0,0|0,0,0]=2 306 B13R2.162 C1=CC2=C(C(=C1)F)N=C(C=C2)Cl C166675 [1,1,0,0,0,0|1,0,1]=4 307 B13R2.162 C1=CC2=C(C(=C1)O)N=C(C=C2)N A136838 [1,1,0,0,0,0|1,0,1]=4 308 B13R2.162 C1=CC2=C(C(=C1)O)NC(=O)C=C2 H137479 [1,1,0,0,0,0|0,0,0]=2 309 B13R2.162 C1=CC2=C(C=C(C=C2)Br)C(=C1)N B587086 [1,1,0,0,0,0|2,0,0]=4 310 B13R2.162 C1=CC2=C(C=C(C=C2)F)C(=C1)O F588686 [1,1,0,0,0,0|2,0,0]=4 311 B13R2.162 C1=CC2=C(C=C(C=C2)N)C(=C1)Br B587599 [1,1,0,0,0,0|2,0,0]=4 312 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)N A115390 [1,1,0,0,0,0|1,0,0]=3 313 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)N A196891 [1,1,0,0,0,0|1,0,0]=3 314 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)O D156007 [1,1,0,0,0,0|1,0,0]=3 315 B13R2.162 C1=CC2=C(C=C(C=N2)Br)C(=C1)O B189728 [1,1,0,0,0,0|1,0,1]=4 316 B13R2.162 CC1=CC2=C(C=CC=C2N)C=C1 M194622 [1,1,0,0,0,0|2,0,0]=4 317 B13R2.162 CC1=NC2=C(C=CC=C2Br)C=C1 B123549 [1,1,0,0,0,0|1,0,1]=4 318 B13R2.162 CC1=NC2=C(C=CC=C2Cl)C=C1 C169413 [1,1,0,0,0,0|1,0,1]=4 319 B13R2.162 CC1=NC2=C(C=CC=C2N)C=C1 A151248 [1,1,0,0,0,0|1,0,1]=4 320 B13R2.162 CC1=NC2=C(C=CC=C2O)C=C1 H111087 [1,1,0,0,0,0|1,0,1]=4 321 B13R2.328 C1=CC2=CC(=CC(=C2N=C1)Cl)O C191677 [1,1,0,0,0,0|2,0,0]=4 322 B13R2.328 C1=CC=C2C(=C1)C(=CC(=N2)Br)Br D468912 [1,1,0,0,0,0|1,0,1]=4 323 B13R2.328 C1=CC=C2C(=C1)C(=CC(=N2)Cl)Cl D135675 [1,1,0,0,0,0|1,0,1]=4 324 B13R2.328 C1=CC=C2C(=C1)C(=CC(=O)N2)O Q102244 [1,1,0,0,0,0|0,0,0]=2 325 B13R2.328 C1=CC=C2C(=C1)C(=CC(=O)O2)O H107607 [1,1,0,0,0,0|1,0,0]=3 326 B13R2.328 C1=CC=C2C(=C1)C(=O)C=C(N2)N B301240 [1,1,0,0,0,0|1,0,0]=3 327 B13R2.328 C1=CC=C2C(=C1)C(=O)NC(=O)N2 B152549 [1,1,0,0,0,0|1,0,0]=3 328 B13R2.328 C1=CC=C2C(=C1)C(=O)NC(=O)O2 B123043 [1,1,0,0,0,0|2,0,0]=4 329 B13R2.328 C1=CC=C2C(=C1)C(=O)NC(=S)N2 M158467 [1,1,0,0,0,0|1,1,0]=4 330 B13R2.328 C1=CC=C2C(=C1)C(=O)OC(=O)N2 I157688 [1,1,0,0,0,0|1,0,0]=3 331 B13R2.328 C1=CC=C2C(=C1)C=C(C=C2Br)O B589453 [1,1,0,0,0,0|1,0,0]=3 332 B13R2.328 C1=CC=C2C(=C1)C=C(C=C2O)O D106385 [1,1,0,0,0,0|1,0,0]=3 333 B13R2.328 C1C2=CC=CC=C2C(=O)NC1=O I193440 [1,1,0,0,0,0|2,0,0]=4 334 B13R2.328 C1C2=CC=CC=C2C(=O)OC1=O H134415 [1,1,0,0,0,0|2,0,0]=4 335 B13R2.328 CC1=CC(=NC2=CC=CC=C12)C D123636 [1,1,0,0,0,0|1,0,1]=4 336 B13R2.328 CC1=CC(=NC2=CC=CC=C12)Cl C123556 [1,1,0,0,0,0|1,0,1]=4 337 B13R2.328 CC1=CC(=NC2=CC=CC=C12)Cl C400404 [1,1,0,0,0,0|1,0,1]=4 338 B13R2.328 CC1=CC(=O)C2=CC=CC=C2N1 H120274 [1,1,0,0,0,0|1,0,0]=3 339 B13R2.328 CC1=CC(=O)C2=CC=CC=C2O1 M589535 [1,1,0,0,0,0|2,0,0]=4 340 B13R2.328 CC1=CC(=O)NC2=CC=CC=C12 M158110 [1,1,0,0,0,0|0,0,0]=2 341 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 M404694 [1,1,0,0,0,0|1,0,0]=3 342 B13R2.328 CC1=CC2=CC=CC=C2C(=C1)C D155003 [1,1,0,0,0,0|2,0,0]=4 343 B13R2.328 CC1=NC2=CC=CC=C2C(=C1)Br B193623 [1,1,0,0,0,0|1,0,1]=4 344 B13R2.328 CC1=NC2=CC=CC=C2C(=C1)Cl C139382 [1,1,0,0,0,0|1,0,1]=4 345 B13R2.328 CC1=NC2=CC=CC=C2C(=C1)N A113940 [1,1,0,0,0,0|1,0,1]=4 346 B13R2.328 CN1CC(=O)NC2=CC=CC=C21 M194507 [1,1,0,0,0,0|1,0,1]=4 347 B13R2.3683 C1=CC(=CC2=CNC(=O)C=C21)Cl C586499 [1,1,0,0,0,0|2,0,0]=4 348 B13R2.3683 C1=CC(=O)NC2=NC=C(C=C21)Br B139225 [1,1,0,0,0,0|1,0,0]=3 349 B13R2.3683 C1=CC2=C(C=C1Cl)N=CC(=O)N2 C183094 [1,1,0,0,0,0|1,0,0]=3 350 B13R2.3683 C1=CC2=C(C=CC(=C2)Br)C=C1Br D101017 [1,1,0,0,0,0|2,0,0]=4 351 B13R2.3683 C1=CC2=C(C=CC(=C2)Br)C=C1Br D130106 [1,1,0,0,0,0|2,0,0]=4 352 B13R2.3683 C1=CC2=C(C=CC(=C2)Br)C=C1F B152882 [1,1,0,0,0,0|2,0,0]=4 353 B13R2.3683 C1=CC2=C(C=CC(=C2)Br)C=C1N A186412 [1,1,0,0,0,0|2,0,0]=4 354 B13R2.3683 C1=CC2=C(C=CC(=C2)Br)C=C1O B120300 [1,1,0,0,0,0|1,0,0]=3 355 B13R2.3683 C1=CC2=C(C=CC(=C2)N)C=C1N N588234 [1,1,0,0,0,0|2,0,0]=4 356 B13R2.3683 C1=CC2=C(C=CC(=C2)O)C=C1O D156012 [1,1,0,0,0,0|1,0,0]=3 357 B13R2.3683 C1=CC2=C(C=CC(=N2)Cl)C=C1Br B132522 [1,1,0,0,0,0|1,0,1]=4 358 B13R2.3683 C1=CC2=C(C=CC(=N2)Cl)C=C1Cl W135314 [1,1,0,0,0,0|1,0,1]=4 359 B13R2.3683 C1=CC2=C(C=CC(=N2)Cl)C=C1Cl W615693 [1,1,0,0,0,0|1,0,1]=4 360 B13R2.3683 C1=CC2=C(C=CC(=O)N2)C=C1Br B132521 [1,1,0,0,0,0|0,0,0]=2 361 B13R2.3683 C1=CC2=C(C=CC(=O)N2)C=C1O Q115351 [1,1,0,0,0,0|0,0,0]=2 362 B13R2.3683 C1=CC2=C(C=CC(=O)O2)C=C1Br B182400 [1,1,0,0,0,0|1,0,0]=3 363 B13R2.3683 C1=CC2=C(C=CC(=O)O2)C=C1N A481745 [1,1,0,0,0,0|1,0,0]=3 364 B13R2.3683 C1=CC2=C(C=CC(=O)O2)C=C1O H156920 [1,1,0,0,0,0|1,0,0]=3 365 B13R2.3683 C1C(=O)NC2=C(O1)C=C(C=C2)Br B183669 [1,1,0,0,0,0|1,0,1]=4 366 B13R2.3683 C1C(=O)NC2=C(O1)C=C(C=C2)F F337070 [1,1,0,0,0,0|1,0,1]=4 367 B13R2.3683 C1CC(=O)NC2=C1C=C(C=C2)Br B176141 [1,1,0,0,0,0|0,0,2]=4 368 B13R2.3683 C1CC(=O)NC2=C1C=C(C=C2)Cl C182436 [1,1,0,0,0,0|0,0,2]=4 369 B13R2.3683 C1CC(=O)NC2=C1C=C(C=C2)N A182929 [1,1,0,0,0,0|0,0,2]=4 370 B13R2.3683 C1CC(=O)NC2=C1C=C(C=C2)O D155349 [1,1,0,0,0,0|0,0,2]=4 371 B13R2.3683 CC1=CC2=C(C=C1)C=C(C=C2)C D113443 [1,1,0,0,0,0|2,0,0]=4 372 B13R2.3683 CC1=CC2=C(C=C1)N=C(C=C2)C D136801 [1,1,0,0,0,0|1,0,1]=4 373 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)CS2 M169411 [1,1,0,0,0,0|1,0,1]=4 374 B13R2.3683 CC1=CC2=C(C=C1)OC(=O)C=C2 M102159 [1,1,0,0,0,0|1,0,0]=3 375 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)Br B136505 [1,1,0,0,0,0|1,0,1]=4 376 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)Cl C153508 [1,1,0,0,0,0|1,0,1]=4 377 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)F F165980 [1,1,0,0,0,0|1,0,1]=4 378 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N A151250 [1,1,0,0,0,0|1,0,1]=4 379 B13R2.5179 C1=CC2=C(C=C1O)OC=CC2=O H171133 [1,1,0,0,0,0|2,0,0]=4 380 B13R2.5179 C1=CC2=C(C=CC(=C2)Br)C(=C1)O B590694 [1,1,0,0,0,0|2,0,0]=4 381 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)N A136056 [1,1,0,0,0,0|1,0,0]=3 382 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)O D154708 [1,1,0,0,0,0|1,0,0]=3 383 B13R2.5179 C1=CC2=C(C=CC(=N2)Cl)C(=C1)Cl D194107 [1,1,0,0,0,0|1,0,1]=4 384 B13R2.5179 C1=CC2=C(C=CC(=O)N2)C(=C1)O H192683 [1,1,0,0,0,0|0,0,0]=2 385 B13R2.5179 C1=CC2=CC(=CN=C2C(=C1)N)Br B407399 [1,1,0,0,0,0|1,0,1]=4 386 B13R2.5179 C1CC(=O)NC2=C1C(=CC=C2)O H183551 [1,1,0,0,0,0|0,0,2]=4 387 B13R2.5179 CC1=CC2=CC=CC(=C2C=C1)C D171060 [1,1,0,0,0,0|2,0,0]=4 388 B13R2.5179 CC1=CC=CC2=NC(=O)C=CN12 M158258 [1,1,0,0,0,0|1,0,1]=4 389 B13R2.5179 CC1=NC2=CC=CC(=C2C=C1)N M193854 [1,1,0,0,0,0|1,0,1]=4 390 B13R2.45 C1C2=CC=CC=C2C(=O)C1=NO I167438 [0,1,0,0,1,0|0,0,1]=3 391 B13R2.135 C1=CC=C2C(=C1)C(=C(N2)Br)C=O B573559 [0,1,0,0,1,0|1,0,1]=4 392 B13R2.135 CC1=C(C2=CC=CC=C2N1)C=O M123431 [0,1,0,0,1,0|1,0,1]=4 393 B13R2.135 CCN1C2=CC=CC=C2NC1=O E178702 [0,1,0,0,1,0|2,0,0]=4 394 B13R2.359 CC1(C2=CC=CC=C2NC1=O)C D182406 [0,1,0,0,1,0|1,0,1]=4 395 B13R2.3028 C1=C(C=NC2=C1C(=O)C(=O)N2)Br B191042 [0,1,0,0,1,0|1,0,1]=4 396 B13R2.3028 C1=CC2=C(C=C1Br)C(=O)C(=O)N2 B124836 [0,1,0,0,1,0|0,0,1]=3 397 B13R2.3028 C1=CC2=C(C=C1Cl)C(=O)C(=O)N2 C134325 [0,1,0,0,1,0|0,0,1]=3 398 B13R2.3028 C1=CC2=C(C=C1F)C(=O)C(=O)N2 F138845 [0,1,0,0,1,0|0,0,1]=3 399 B13R2.3028 C1=CC2=C(C=C1I)C(=O)C(=O)N2 I157456 [0,1,0,0,1,0|0,0,1]=3 400 B13R2.3028 CC1=C(NC2=C1C=C(C=C2)Br)C B184620 [0,1,0,0,1,0|2,0,0]=4 401 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O M139069 [0,1,0,0,1,0|0,0,1]=3 402 B13R2.3085 C1=CC2=C(C(=O)N(C2=O)O)N=C1 H588309 [0,1,0,0,1,0|2,0,0]=4 403 B13R2.3085 C1=CC=C2C(=C1)C(=O)N(C2=O)Br N137544 [0,1,0,0,1,0|2,0,0]=4 404 B13R2.3085 C1=CC=C2C(=C1)C(=O)N(C2=O)Cl I135091 [0,1,0,0,1,0|2,0,0]=4 405 B13R2.3085 C1=CC=C2C(=C1)C(=O)N(C2=O)N N159267 [0,1,0,0,1,0|2,0,0]=4 406 B13R2.3085 C1=CC=C2C(=C1)C(=O)N(C2=O)O H106354 [0,1,0,0,1,0|1,0,0]=3 407 B13R2.3085 CN1C(=O)C2=CC=CC=C2C1=O N138987 [0,1,0,0,1,0|2,0,0]=4 408 B13R2.3085 CN1C2=CC=CC=C2C(=O)C1=O M157921 [0,1,0,0,1,0|0,0,1]=3 409 B13R2.4825 C1=CC2=C(C(=C1)Br)NC(=O)C2=O B153061 [0,1,0,0,1,0|0,0,1]=3 410 B13R2.4825 C1=CC2=C(C(=C1)Cl)NC(=O)C2=O C119313 [0,1,0,0,1,0|0,0,1]=3 411 B13R2.4825 C1=CC2=C(C(=C1)F)NC(=O)C2=O F156764 [0,1,0,0,1,0|0,0,1]=3 412 B13R2.4825 C1=CC2=C(C(=C1)I)NC(=O)C2=O I352434 [0,1,0,0,1,0|0,0,1]=3 413 B13R2.4825 CC1=C2C(=CC=C1)C(=O)C(=O)N2 M138035 [0,1,0,0,1,0|0,0,1]=3 414 B13R2.4856 C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2 B153060 [0,1,0,0,1,0|0,0,1]=3 415 B13R2.4856 C1=CC2=C(C(=C1)Cl)C(=O)C(=O)N2 C153327 [0,1,0,0,1,0|0,0,1]=3 416 B13R2.4856 C1=CC2=C(C(=C1)I)C(=O)C(=O)N2 I588052 [0,1,0,0,1,0|0,0,1]=3 417 B13R2.5190 C1=CC2=C(C=C1Br)NC(=O)C2=O B124372 [0,1,0,0,1,0|0,0,1]=3 418 B13R2.5190 C1=CC2=C(C=C1Cl)NC(=O)C2=O C136451 [0,1,0,0,1,0|0,0,1]=3 419 B13R2.5190 C1=CC2=C(C=C1F)NC(=O)C2=O F183689 [0,1,0,0,1,0|0,0,1]=3 420 B15R2.117 C1=CC=C2C=C(C(=CC2=C1)C=O)C=O N106384 [0,2,0,0,0,0|1,0,1]=4 421 B15R2.117 C1=CC=C2C=C(C(=CC2=C1)CO)CO N133794 [0,2,0,0,0,0|1,0,1]=4 422 B15R2.117 COC1=CC2=CC=CC=C2C=C1CO M170086 [0,2,0,0,0,0|1,0,1]=4 423 B15R2.117 COC1=CC2=CC=CC=C2C=C1OC D586130 [0,2,0,0,0,0|1,0,1]=4 424 B15R2.274 C1=CC=C2C(=C1)C(=C(C(=O)O2)C=O)Cl C469273 [0,2,0,0,0,0|1,0,1]=4 425 B15R2.274 CC1=C(C(=O)OC2=CC=CC=C12)C#N C168975 [0,2,0,0,0,0|2,0,0]=4 426 B15R2.984 B(C1=CC2=CC=CC=C2N=C1Br)(O)O B300524 [0,2,0,0,0,0|1,0,1]=4 427 B15R2.984 C1=CC=C2C(=C1)C=C(C(=N2)Cl)C(=O)O C469619 [0,2,0,0,0,0|1,0,1]=4 428 B15R2.984 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O C153985 [0,2,0,0,0,0|1,0,0]=3 429 B15R2.984 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O C424551 [0,2,0,0,0,0|1,0,0]=3 430 B15R2.984 C1=CC=C2C=C(C(=CC2=C1)C(=O)O)N A151154 [0,2,0,0,0,0|2,0,0]=4 431 B15R2.984 C1=CC=C2C=C(C(=CC2=C1)C(=O)O)O H109073 [0,2,0,0,0,0|1,0,0]=3 432 B15R2.984 C1=CC=C2C=C(C(=CC2=C1)C(=O)[O-])O S161404 [0,2,0,0,0,0|1,0,0]=3 433 B15R2.984 CC(=O)C1=CC2=CC=CC=C2OC1=O A151700 [0,2,0,0,0,0|1,0,1]=4 434 B15R2.1754 C1=CC(=CC2=NC(=C(C=C21)CO)Cl)Br B165458 [0,2,0,0,0,0|1,0,1]=4 435 B15R2.1754 C1=CC2=C(C=C1O)OC(=O)C(=C2)C#N C131167 [0,2,0,0,0,0|2,0,0]=4 436 B15R2.2039 CC1=C2C(=CC=C1)C=C(C(=N2)Cl)CO C169646 [0,2,0,0,0,0|1,0,1]=4 437 B15R2.63893 CC1=C(C(=O)OC2=C1C=CC(=C2)O)Cl C136209 [0,2,0,0,0,0|2,0,0]=4 438 B15R2.62227 C1=C2C=C(C(=CC2=CC(=C1O)Br)Br)O D155583 [0,2,0,0,0,0|2,0,0]=4 439 B13R2.373 C1=CC=C(C=C1)C2C(C(=O)N2)O R302386 [0,0,1,1,0,0|0,0,2]=4 440 B13R2.435 C1=CC=C2C(=C1)C=C(N2)C(=O)O I107987 [0,0,1,1,0,0|2,0,0]=4 441 B13R2.435 C1=CC=C2C(=C1)C=C(O2)C(=O)O B170589 [0,0,1,1,0,0|1,0,0]=3 442 B13R2.435 C1=CC=C2C(=C1)C=C(O2)[N+](=O)[O-] N192776 [0,0,1,1,0,0|2,0,0]=4 443 B13R2.435 C1=CC=C2C(=C1)C=C(S2)C(=O)Cl B133836 [0,0,1,1,0,0|1,1,0]=4 444 B13R2.435 C1=CC=C2C(=C1)C=C(S2)C(=O)O B152934 [0,0,1,1,0,0|1,1,0]=4 445 B13R2.435 C1=CC=C2C(=C1)NC(=N2)C(=O)O H134909 [0,0,1,1,0,0|2,0,0]=4 446 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 A346740 [0,0,1,1,0,0|2,0,0]=4 447 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 B167750 [0,0,1,1,0,0|1,0,0]=3 448 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 A119133 [0,0,1,1,0,0|1,1,0]=4 449 B13R2.1613 C1=CC=C2C(=C1)C=CC=C2C=O N111813 [0,0,1,1,0,0|2,0,0]=4 450 B13R2.1613 C1=CC=C2C(=C1)C=CN=C2C=O I589155 [0,0,1,1,0,0|2,0,0]=4 451 B11R1.36 C1=CC=C(C=C1)C(=O)C(=O)O P100867 [0,0,1,0,1,0|1,0,0]=3 452 B11R1.36 C1=CC=C(C=C1)C(=O)C(=O)O P425066 [0,0,1,0,1,0|1,0,0]=3 453 B11R1.36 C1=CC=C(C=C1)C(=O)C(O)O P160755 [0,0,1,0,1,0|1,0,1]=4 454 B11R1.36 C1=CC=C(C=C1)C(C(=O)N)N D189180 [0,0,1,0,1,0|1,0,1]=4 455 B11R1.36 C1=CC=C(C=C1)C(C(=O)N)N S185796 [0,0,1,0,1,0|1,0,1]=4 456 B11R1.36 C1=CC=C(C=C1)C(C(=O)N)O M342074 [0,0,1,0,1,0|0,0,1]=3 457 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O D304135 [0,0,1,0,1,0|1,0,1]=4 458 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M104996 [0,0,1,0,1,0|1,0,1]=4 459 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M104997 [0,0,1,0,1,0|1,0,1]=4 460 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M107076 [0,0,1,0,1,0|1,0,1]=4 461 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M111210 [0,0,1,0,1,0|1,0,1]=4 462 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O R425065 [0,0,1,0,1,0|1,0,1]=4 463 B11R1.36 C1=CC=C(C=C1)C(C(=O)[O-])O S161413 [0,0,1,0,1,0|1,0,1]=4 464 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O P121707 [0,0,1,0,1,0|2,0,0]=4 465 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P194033 [0,0,1,0,1,0|0,0,2]=4 466 B11R1.222 C1=CC=C(C(=C1)C(=O)NO)O S106787 [0,0,1,0,1,0|2,0,0]=4 467 B11R2.1 C1=CC2=C(C(=CN2)Br)N=C1 B588326 [1,0,0,0,1,0|2,0,0]=4 468 B11R2.1 C1=CC2=C(NC=C2Br)N=C1 B122919 [1,0,0,0,1,0|2,0,0]=4 469 B11R2.1 C1=CC2=C(NC=C2Cl)N=C1 C177499 [1,0,0,0,1,0|2,0,0]=4 470 B11R2.1 C1=CC2=C(NC=C2I)N=C1 I122921 [1,0,0,0,1,0|2,0,0]=4 471 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br B194097 [1,0,0,0,1,0|2,0,0]=4 472 B11R2.1 C1=CC=C2C(=C1)C(=CS2)Br B189193 [1,0,0,0,1,0|2,0,0]=4 473 B11R2.1 C1=CC=C2C(=C1)C(=NN2)N A134463 [1,0,0,0,1,0|2,0,0]=4 474 B11R2.1 C1=CC=C2C(=C1)C(=O)NN2 H134010 [1,0,0,0,1,0|1,0,1]=4 475 B11R2.1 C1=CC=C2C(=C1)C(=O)NO2 B138497 [1,0,0,0,1,0|2,0,0]=4 476 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 B107479 [1,0,0,0,1,0|2,0,0]=4 477 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 B406425 [1,0,0,0,1,0|2,0,0]=4 478 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 B598939 [1,0,0,0,1,0|2,0,0]=4 479 B11R2.1 C1=CN=CC2=C1NC=C2Br B588316 [1,0,0,0,1,0|2,0,0]=4 480 B11R2.1 C1C(=O)C2=CC=CC=C2O1 B119781 [1,0,0,0,1,0|1,0,1]=4 481 B11R2.1 C1C2=CC=CC=C2C(=O)N1 I170551 [1,0,0,0,1,0|1,0,1]=4 482 B11R2.1 C1C2=CC=CC=C2C(=O)O1 P104476 [1,0,0,0,1,0|1,0,1]=4 483 B11R2.1 C1CC(=O)C2=CC=CC=C21 I106436 [1,0,0,0,1,0|0,0,2]=4 484 B11R2.1 C1CC(=O)C2=CC=CC=C21 I426156 [1,0,0,0,1,0|0,0,2]=4 485 B11R2.1 CC1=CNC2=CC=CC=C12 M426157 [1,0,0,0,1,0|1,0,0]=3 486 B11R2.1 CC1=CNC2=CC=CC=C12 S104736 [1,0,0,0,1,0|1,0,0]=3 487 B11R2.1 CC1=CSC2=CC=CC=C12 M101861 [1,0,0,0,1,0|2,0,0]=4 488 B11R2.1 CN1C=CC2=CC=CC=C21 M108007 [1,0,0,0,1,0|2,0,0]=4 489 B11R2.10 C1=CC2=C(NC(=C2)Br)N=C1 B189620 [1,0,0,0,1,0|2,0,0]=4 490 B11R2.10 C1=CC2=C(NC(=C2)I)N=C1 I172717 [1,0,0,0,1,0|2,0,0]=4 491 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 D185536 [1,0,0,0,1,0|2,0,0]=4 492 B11R2.10 C1=CC=C2C(=C1)C=C(N2)I I588481 [1,0,0,0,1,0|1,0,0]=3 493 B11R2.10 C1=CC=C2C(=C1)C=C(O2)Br B589404 [1,0,0,0,1,0|2,0,0]=4 494 B11R2.10 C1=CC=C2C(=C1)C=C(S2)Br B185084 [1,0,0,0,1,0|2,0,0]=4 495 B11R2.10 C1=CC=C2C(=C1)C=C(S2)I I169943 [1,0,0,0,1,0|2,0,0]=4 496 B11R2.10 C1=CC=C2C(=C1)NC(=N2)Br B136188 [1,0,0,0,1,0|2,0,0]=4 497 B11R2.10 C1=CC=C2C(=C1)NC(=N2)Cl C137611 [1,0,0,0,1,0|2,0,0]=4 498 B11R2.10 C1=CC=C2C(=C1)NC(=N2)N A104845 [1,0,0,0,1,0|2,0,0]=4 499 B11R2.10 C1=CC=C2C(=C1)NC(=O)N2 H135655 [1,0,0,0,1,0|1,0,0]=3 500 B11R2.10 C1=CC=C2C(=C1)NC(=O)O2 B111321 [1,0,0,0,1,0|1,0,0]=3 501 B11R2.10 C1=CC=C2C(=C1)NC(=O)S2 H157277 [1,0,0,0,1,0|1,0,0]=3 502 B11R2.10 C1=CC=C2C(=C1)NC(=S)N2 M111104 [1,0,0,0,1,0|1,1,0]=4 503 B11R2.10 C1=CC=C2C(=C1)NC(=S)O2 M111103 [1,0,0,0,1,0|1,1,0]=4 504 B11R2.10 C1=CC=C2C(=C1)NC(=S)S2 M104864 [1,0,0,0,1,0|1,1,0]=4 505 B11R2.10 C1=CN=CC2=C1NC(=O)N2 H194827 [1,0,0,0,1,0|2,0,0]=4 506 B11R2.10 C1C(=O)CC2=CC=CC=C21 I111208 [1,0,0,0,1,0|1,0,1]=4 507 B11R2.10 C1C2=C(NC1=O)N=CC=C2 H176810 [1,0,0,0,1,0|1,0,1]=4 508 B11R2.10 C1C2=CC=CC=C2C=C1Br B124235 [1,0,0,0,1,0|1,0,1]=4 509 B11R2.10 C1C2=CC=CC=C2NC1=O O100775 [1,0,0,0,1,0|0,0,1]=3 510 B11R2.10 C1C2=CC=CC=C2OC1=O C103572 [1,0,0,0,1,0|1,0,1]=4 511 B11R2.10 C1C2=CC=CC=C2SC1=O B353634 [1,0,0,0,1,0|1,0,1]=4 512 B11R2.10 CC1=CC2=C(N1)C=CC=N2 M304502 [1,0,0,0,1,0|2,0,0]=4 513 B11R2.10 CC1=CC2=C(N1)N=CC=C2 M175848 [1,0,0,0,1,0|2,0,0]=4 514 B11R2.10 CC1=CC2=CC=CC=C2N1 M100903 [1,0,0,0,1,0|1,0,0]=3 515 B11R2.10 CC1=CC2=CC=CC=C2O1 M135139 [1,0,0,0,1,0|2,0,0]=4 516 B11R2.10 CC1=CC2=CC=CC=C2S1 M158052 [1,0,0,0,1,0|2,0,0]=4 517 B11R2.10 CC1=NC2=CC=CC=C2N1 M110232 [1,0,0,0,1,0|2,0,0]=4 518 B11R2.36 C1=CC(=CC2=C1C=CN2)O H102255 [1,0,0,0,1,0|2,0,0]=4 519 B11R2.36 C1=CC(=O)NC2=C1C=CN2 H589458 [1,0,0,0,1,0|1,0,0]=3 520 B11R2.36 C1=CC2=C(C=CN2)C=C1O H105520 [1,0,0,0,1,0|2,0,0]=4 521 B11R2.36 C1=CC2=NC=CN2NC1=O I171056 [1,0,0,0,1,0|2,0,0]=4 522 B11R2.36 C1=CNC2=NC=C(C=C21)O H178602 [1,0,0,0,1,0|1,0,1]=4 523 B13R1.351 C1=CC=C(C=C1)CCC(=O)C(=O)O O159999 [0,0,1,0,0,1|2,0,0]=4 524 B13R1.351 CC(=C)C(=O)OCC1=CC=CC=C1 B102356 [0,0,1,0,0,1|2,0,0]=4