0 B14R2.8239 C1=CC(=O)OC2=CC(=C(C=C21)O)O D114065 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.8239 C1=CC(=O)OC2=CC(=C(C=C21)O)O D118867 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.8239 C1=CC(=O)OC2=CC(=C(C=C21)O)O D423160 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.8239 C1=CC2=C(C=C1Cl)N=C(C(=N2)Cl)Cl T303354 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.8239 CC1=CC2=C(C=C(C=C2)Br)N=C1Cl B336782 [0,0,0,0,0,0|2,1,1]=4 5 B14R2.8239 CC1=CC2=C(C=C1)C=C(C(=N2)Cl)C C479429 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.8239 CC1=CC2=C(C=C1)NC(=O)C(=O)N2 D155127 [0,0,0,0,0,0|2,0,1]=3 7 B14R2.8239 CC1=CC2=C(C=CC(=C2)Cl)N=C1Cl D166955 [0,0,0,0,0,0|4,0,0]=4 8 B14R2.8239 CC1=CC2=C(C=CC(=C2)Cl)N=C1N A167119 [0,0,0,0,0,0|4,0,0]=4 9 B14R2.8239 CC1C(=O)NC2=C(O1)C=CC(=C2)Cl C154017 [0,0,0,0,0,0|2,0,1]=3 10 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)Br)Br D101018 [1,0,0,0,0,0|2,1,0]=4 11 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)Br)O B152877 [1,0,0,0,0,0|1,1,1]=4 12 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)O)O D104853 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.155 C1=CC(=CC2=C1C=CC(=N2)Cl)Br B178613 [1,0,0,0,0,0|1,1,1]=4 14 B13R2.155 C1=CC(=CC2=C1C=CC(=O)N2)Cl C182968 [1,0,0,0,0,0|0,0,0]=1 15 B13R2.155 C1=CC(=CC2=C1C=CC(=O)N2)O H177239 [1,0,0,0,0,0|1,0,0]=2 16 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O H109351 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O H109352 [1,0,0,0,0,0|2,0,0]=3 18 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O H426983 [1,0,0,0,0,0|2,0,0]=3 19 B13R2.155 C1=CC(=NC2=C1C=CC(=O)N2)N A587906 [1,0,0,0,0,0|2,0,0]=3 20 B13R2.155 C1=CC(=O)NC2=C1C=CC(=N2)F F186892 [1,0,0,0,0,0|1,1,0]=3 21 B13R2.155 C1=CC2=C(C=C1Br)NC(=O)C=N2 B186755 [1,0,0,0,0,0|1,1,0]=3 22 B13R2.155 C1=CC2=CN=C(C=C2C=C1Br)Cl B193894 [1,0,0,0,0,0|3,0,0]=4 23 B13R2.155 C1C(=O)NC2=C(O1)C=CC(=C2)Br B119100 [1,0,0,0,0,0|1,1,1]=4 24 B13R2.155 C1C(=O)NC2=C(O1)C=CC(=C2)Cl C186487 [1,0,0,0,0,0|1,0,1]=3 25 B13R2.155 C1C(=O)NC2=C(O1)C=CC(=C2)N A187938 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)Br B181550 [1,0,0,0,0,0|0,1,2]=4 27 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)N A483794 [1,0,0,0,0,0|1,0,2]=4 28 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)O H108011 [1,0,0,0,0,0|1,0,2]=4 29 B13R2.155 CC1=CC2=C(C=C1)C=CC(=C2)C D155001 [1,0,0,0,0,0|3,0,0]=4 30 B13R2.155 CC1=CC2=C(C=C1)C=CC(=O)O2 M158663 [1,0,0,0,0,0|2,0,0]=3 31 B13R2.155 CC1=NC2=C(C=C1)C=CC(=C2)Br B193577 [1,0,0,0,0,0|1,1,1]=4 32 B13R2.155 CC1=NC2=C(C=C1)C=CC(=C2)Cl C103602 [1,0,0,0,0,0|1,0,1]=3 33 B13R2.369 C1=CC=C2C(=C1)C=C(C(=N2)I)Br B469823 [1,0,0,0,0,0|2,0,1]=4 34 B13R2.369 C1=CC=C2C(=C1)C=C(C(=O)N2)Br B467471 [1,0,0,0,0,0|1,0,0]=2 35 B13R2.369 C1=CC=C2C(=C1)C=C(C(=O)O2)N A151702 [1,0,0,0,0,0|2,0,0]=3 36 B13R2.369 C1=CC=C2C(=C1)C=C(C(=O)O2)O H305006 [1,0,0,0,0,0|1,0,0]=2 37 B13R2.369 C1=CC=C2C(=C1)NC(=O)C(=O)N2 D123522 [1,0,0,0,0,0|1,0,1]=3 38 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)Br)Br D155587 [1,0,0,0,0,0|3,0,0]=4 39 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)N)N D110922 [1,0,0,0,0,0|3,0,0]=4 40 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)N)O A133883 [1,0,0,0,0,0|2,0,0]=3 41 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)O)Br B152849 [1,0,0,0,0,0|2,0,0]=3 42 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)O)Br B474670 [1,0,0,0,0,0|2,0,0]=3 43 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)O)O D103157 [1,0,0,0,0,0|1,0,1]=3 44 B13R2.369 C1=CN=CC2=C1NC(=O)C(=O)N2 P588840 [1,0,0,0,0,0|2,0,1]=4 45 B13R2.369 CC1=CC2=CC=CC=C2C=C1C D154999 [1,0,0,0,0,0|3,0,0]=4 46 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl C136403 [1,0,0,0,0,0|2,0,1]=4 47 B13R2.3683 C1=CC(=CC2=CNC(=O)C=C21)Cl C586499 [1,0,0,0,0,0|2,0,1]=4 48 B13R2.3683 C1=CC2=C(C=C1Cl)N=CC(=O)N2 C183094 [1,0,0,0,0,0|1,0,2]=4 49 B13R2.3683 C1=CC2=C(C=CC(=C2)Br)C=C1Br D101017 [1,0,0,0,0,0|2,1,0]=4 50 B13R2.3683 C1=CC2=C(C=CC(=C2)Br)C=C1Br D130106 [1,0,0,0,0,0|2,1,0]=4 51 B13R2.3683 C1=CC2=C(C=CC(=C2)Br)C=C1F B152882 [1,0,0,0,0,0|2,1,0]=4 52 B13R2.3683 C1=CC2=C(C=CC(=C2)Br)C=C1N A186412 [1,0,0,0,0,0|2,1,0]=4 53 B13R2.3683 C1=CC2=C(C=CC(=C2)Br)C=C1O B120300 [1,0,0,0,0,0|1,1,0]=3 54 B13R2.3683 C1=CC2=C(C=CC(=C2)N)C=C1N N588234 [1,0,0,0,0,0|3,0,0]=4 55 B13R2.3683 C1=CC2=C(C=CC(=C2)O)C=C1O D156012 [1,0,0,0,0,0|2,0,0]=3 56 B13R2.3683 C1=CC2=C(C=CC(=N2)Cl)C=C1Br B132522 [1,0,0,0,0,0|3,0,0]=4 57 B13R2.3683 C1=CC2=C(C=CC(=N2)Cl)C=C1Cl W135314 [1,0,0,0,0,0|3,0,0]=4 58 B13R2.3683 C1=CC2=C(C=CC(=N2)Cl)C=C1Cl W615693 [1,0,0,0,0,0|3,0,0]=4 59 B13R2.3683 C1=CC2=C(C=CC(=O)N2)C=C1O Q115351 [1,0,0,0,0,0|3,0,0]=4 60 B13R2.3683 C1=CC2=C(C=CC(=O)O2)C=C1O H156920 [1,0,0,0,0,0|3,0,0]=4 61 B13R2.3683 C1=CC2=NC(=CN=C2C=C1Cl)Cl D123526 [1,0,0,0,0,0|2,0,1]=4 62 B13R2.3683 CC1=CC2=C(C=C1)C=C(C=C2)C D113443 [1,0,0,0,0,0|3,0,0]=4 63 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)Cl C153508 [1,0,0,0,0,0|3,0,0]=4 64 B15R2.1754 C1=CC(=CC2=NC(=C(C=C21)CO)Cl)Br B165458 [0,1,0,0,0,0|1,1,1]=4 65 B15R2.1754 C1=CC2=C(C=C1O)OC(=O)C(=C2)C#N C131167 [0,1,0,0,0,0|3,0,0]=4 66 B15R2.62227 C1=C2C=C(C(=CC2=CC(=C1O)Br)Br)O D155583 [0,1,0,0,0,0|2,1,0]=4 67 B15R2.63893 CC1=C(C(=O)OC2=C1C=CC(=C2)O)Cl C136209 [0,1,0,0,0,0|3,0,0]=4 68 B13R2.3028 C1=CC2=C(C=C1Br)C(=O)C(=O)N2 B124836 [0,0,0,0,1,0|1,1,1]=4 69 B13R2.3028 C1=CC2=C(C=C1Cl)C(=O)C(=O)N2 C134325 [0,0,0,0,1,0|1,0,1]=3 70 B13R2.3028 C1=CC2=C(C=C1F)C(=O)C(=O)N2 F138845 [0,0,0,0,1,0|1,1,1]=4 71 B13R2.3028 C1=CC2=C(C=C1I)C(=O)C(=O)N2 I157456 [0,0,0,0,1,0|1,1,1]=4 72 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O M139069 [0,0,0,0,1,0|2,0,1]=4 73 B13R2.5190 C1=CC2=C(C=C1Br)NC(=O)C2=O B124372 [0,0,0,0,1,0|0,1,1]=3 74 B13R2.5190 C1=CC2=C(C=C1Cl)NC(=O)C2=O C136451 [0,0,0,0,1,0|0,0,1]=2 75 B13R2.5190 C1=CC2=C(C=C1F)NC(=O)C2=O F183689 [0,0,0,0,1,0|0,1,1]=3 76 B12R1.21 C1=CC(=CC=C1C=CC(=O)Cl)F F102168 [1,0,1,0,0,0|1,1,0]=4 77 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)Br B104888 [1,0,1,0,0,0|1,1,0]=4 78 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)Cl C100659 [1,0,1,0,0,0|1,0,0]=3 79 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)F F101928 [1,0,1,0,0,0|1,1,0]=4 80 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)N A151768 [1,0,1,0,0,0|2,0,0]=4 81 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C108514 [1,0,1,0,0,0|2,0,0]=4 82 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C108515 [1,0,1,0,0,0|2,0,0]=4 83 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304525 [1,0,1,0,0,0|2,0,0]=4 84 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304526 [1,0,1,0,0,0|2,0,0]=4 85 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304527 [1,0,1,0,0,0|2,0,0]=4 86 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O P424326 [1,0,1,0,0,0|2,0,0]=4 87 B12R1.21 C1=CC(=CC=C1C=C[N+](=O)[O-])Cl I136018 [1,0,1,0,0,0|2,0,0]=4 88 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O H169513 [1,0,1,0,0,0|2,0,0]=4 89 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O M100698 [1,0,1,0,0,0|2,0,0]=4 90 B12R1.43 C1=CC=C(C=C1)CC(=O)C(=O)O P107007 [1,0,1,0,0,0|2,0,0]=4 91 B12R1.43 C1=CC=C(C=C1)CC(=O)C(=O)O P421862 [1,0,1,0,0,0|2,0,0]=4 92 B12R1.43 C1=CC=C(C=C1)NC(=O)C(=O)O A354609 [1,0,1,0,0,0|1,0,0]=3 93 B12R1.43 CC(=C)C(=O)NC1=CC=CC=C1 N159436 [1,0,1,0,0,0|1,0,0]=3 94 B12R1.43 CC(=C)C(=O)NC1=CC=CC=C1 N491276 [1,0,1,0,0,0|1,0,0]=3 95 B12R1.43 CC(=C)C(=O)OC1=CC=CC=C1 P122856 [1,0,1,0,0,0|2,0,0]=4 96 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O M102145 [1,0,1,0,0,0|2,0,0]=4 97 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O C101735 [1,0,1,0,0,0|2,0,0]=4 98 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O C485689 [1,0,1,0,0,0|2,0,0]=4 99 B12R1.127 C1=CC(=C(C=C1Cl)CC(=O)O)Br B186746 [1,0,1,0,0,0|2,0,0]=4 100 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)Cl D154893 [1,0,1,0,0,0|1,0,1]=4 101 B12R1.233 C1=CC(=C(C=C1Cl)Br)CC(=O)O B184998 [1,0,1,0,0,0|1,0,1]=4 102 B12R1.233 C1=CC(=C(C=C1Cl)Cl)CC(=O)O D113535 [1,0,1,0,0,0|1,0,1]=4 103 B12R1.233 C1=CC(=C(C=C1Cl)F)CC(=O)O C122857 [1,0,1,0,0,0|1,0,1]=4 104 B12R2.24 C1=CC(=CC2=C1C=CN=C2)O H136867 [2,0,0,0,0,0|2,0,0]=4 105 B12R2.24 C1=CC2=C(C=C(C=C2)Br)N=C1 B152697 [2,0,0,0,0,0|0,1,1]=4 106 B12R2.24 C1=CC2=C(C=C(C=C2)Cl)N=C1 C153507 [2,0,0,0,0,0|0,0,1]=3 107 B12R2.24 C1=CC2=C(C=C(C=C2)N)N=C1 A180566 [2,0,0,0,0,0|1,0,1]=4 108 B12R2.24 C1=CC2=C(C=C(C=C2)N)N=C1 A185350 [2,0,0,0,0,0|1,0,1]=4 109 B12R2.24 C1=CC2=C(C=C(C=C2)O)N=C1 H121631 [2,0,0,0,0,0|1,0,1]=4 110 B12R2.24 C1=CC2=C(C=CC(=C2)Cl)N=C1 C136969 [2,0,0,0,0,0|2,0,0]=4 111 B12R2.24 C1=CC2=C(C=CC(=C2)O)N=C1 H101596 [2,0,0,0,0,0|2,0,0]=4 112 B12R2.24 C1=CC2=C(C=CN=C2)C=C1Cl C407460 [2,0,0,0,0,0|2,0,0]=4 113 B12R2.24 C1=CC2=NC=CN=C2C=C1Cl C185120 [2,0,0,0,0,0|1,0,1]=4 114 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br B113800 [2,0,0,0,0,0|1,0,1]=4 115 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Cl C185561 [2,0,0,0,0,0|1,0,1]=4 116 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)N A151247 [2,0,0,0,0,0|1,0,1]=4 117 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O H102245 [2,0,0,0,0,0|0,0,1]=3 118 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Br B123564 [2,0,0,0,0,0|1,0,1]=4 119 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Cl C110279 [2,0,0,0,0,0|1,0,1]=4 120 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)N A136404 [2,0,0,0,0,0|1,0,1]=4 121 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)N2 Q160822 [2,0,0,0,0,0|0,0,0]=2 122 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104161 [2,0,0,0,0,0|1,0,0]=3 123 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104165 [2,0,0,0,0,0|1,0,0]=3 124 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104166 [2,0,0,0,0,0|1,0,0]=3 125 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C357823 [2,0,0,0,0,0|1,0,0]=3 126 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C426918 [2,0,0,0,0,0|1,0,0]=3 127 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 Q102233 [2,0,0,0,0,0|1,0,0]=3 128 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Br B122362 [2,0,0,0,0,0|1,1,0]=4 129 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl C304963 [2,0,0,0,0,0|1,0,0]=3 130 B12R2.24 C1=CC=C2C=C(C=CC2=C1)I I171169 [2,0,0,0,0,0|1,1,0]=4 131 B12R2.24 C1=CC=C2C=C(C=CC2=C1)N N113461 [2,0,0,0,0,0|2,0,0]=4 132 B12R2.24 C1=CC=C2C=C(C=CC2=C1)N N140874 [2,0,0,0,0,0|2,0,0]=4 133 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108421 [2,0,0,0,0,0|1,0,0]=3 134 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108422 [2,0,0,0,0,0|1,0,0]=3 135 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108423 [2,0,0,0,0,0|1,0,0]=3 136 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N421336 [2,0,0,0,0,0|1,0,0]=3 137 B12R2.24 C1=CC=C2C=C(C=CC2=C1)S N101787 [2,0,0,0,0,0|1,1,0]=4 138 B12R2.24 C1=CC=C2C=C(C=CC2=C1)[NH3+] N493715 [2,0,0,0,0,0|2,0,0]=4 139 B12R2.24 C1=CC=C2C=NC(=CC2=C1)Cl C182458 [2,0,0,0,0,0|2,0,0]=4 140 B12R2.24 C1C(=O)NC2=CC=CC=C2O1 H157370 [2,0,0,0,0,0|1,0,1]=4 141 B12R2.24 C1C(=O)NC2=CC=CC=C2S1 H157316 [2,0,0,0,0,0|1,0,1]=4 142 B12R2.24 C1CC(=O)NC2=CC=CC=C21 D336131 [2,0,0,0,0,0|0,0,2]=4 143 B12R2.24 CC1=CC2=C(C=CC=N2)C=C1 M110340 [2,0,0,0,0,0|1,0,1]=4 144 B12R2.24 CC1=CC2=CC=CC=C2C=C1 M104862 [2,0,0,0,0,0|2,0,0]=4 145 B12R2.24 CC1=CC2=CC=CC=C2C=C1 M119488 [2,0,0,0,0,0|2,0,0]=4 146 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M103608 [2,0,0,0,0,0|1,0,1]=4 147 B12R2.24 CC1=NC2=CC=CC=C2C=C1 Q107985 [2,0,0,0,0,0|1,0,1]=4 148 B14R2.134 C#CC1=CC2=C(C=C1)C=CC(=O)O2 E404402 [1,1,0,0,0,0|2,0,0]=4 149 B14R2.134 COC1=CC2=C(C=C1)C=CC(=O)O2 M158657 [1,1,0,0,0,0|2,0,0]=4 150 B14R2.134 COC1=CC2=C(C=C1)C=CC(=O)O2 M424548 [1,1,0,0,0,0|2,0,0]=4 151 B14R2.4513 C1=CC(=C(C2=C1C=CC(=O)O2)O)O D155111 [1,1,0,0,0,0|2,0,0]=4 152 B14R2.4513 OC1=CC=C2C=CC(=O)OC2=C1O D408432 [1,1,0,0,0,0|2,0,0]=4 153 B14R2.29365 C1=CC(=O)OC2=CC(=CC(=C21)O)O D192466 [1,1,0,0,0,0|2,0,0]=4 154 B14R2.29365 C1=CC2=C(C=C1Br)NC(=O)NC2=O B189794 [1,1,0,0,0,0|1,1,0]=4 155 B14R2.29365 C1=CC2=C(C=C1Br)NC(=O)OC2=O B186491 [1,1,0,0,0,0|1,1,0]=4 156 B14R2.29365 C1=CC2=C(C=C1Br)OC(=O)C=C2O B486814 [1,1,0,0,0,0|1,1,0]=4 157 B14R2.29365 C1=CC2=C(C=C1Cl)NC(=O)NC2=O C190547 [1,1,0,0,0,0|1,0,0]=3 158 B14R2.29365 C1=CC2=C(C=C1Cl)NC(=O)OC2=O C119094 [1,1,0,0,0,0|1,0,0]=3 159 B14R2.29365 C1=CC2=C(C=C1F)NC(=O)NC2=O F194941 [1,1,0,0,0,0|1,1,0]=4 160 B14R2.29365 C1=CC2=C(C=C1F)OC(=O)C=C2O F486887 [1,1,0,0,0,0|1,1,0]=4 161 B14R2.29365 C1=CC2=C(C=C1O)OC(=O)C=C2O D404194 [1,1,0,0,0,0|2,0,0]=4 162 B14R2.29365 CC1=CC(=CC2=C1C=CC(=O)O2)O M404669 [1,1,0,0,0,0|2,0,0]=4 163 B14R2.29365 CC1=CC(=O)C2=C(N1)C=C(C=C2)Cl C338413 [1,1,0,0,0,0|1,0,0]=3 164 B14R2.29365 CC1=CC(=O)NC2=C1C=CC(=C2)N C131170 [1,1,0,0,0,0|1,0,0]=3 165 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(=C2)N A109915 [1,1,0,0,0,0|2,0,0]=4 166 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(=C2)N A109916 [1,1,0,0,0,0|2,0,0]=4 167 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(=C2)O M106701 [1,1,0,0,0,0|2,0,0]=4 168 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(=C2)O M408993 [1,1,0,0,0,0|2,0,0]=4 169 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(=C2)[O-] M347230 [1,1,0,0,0,0|2,0,0]=4 170 B14R2.29365 CC1=CC2=C(C=C1)C(=CC(=O)O2)O H305265 [1,1,0,0,0,0|2,0,0]=4 171 B14R2.29365 CC1=NC2=C(C=C1)C(=CC(=C2)Cl)Cl D169164 [1,1,0,0,0,0|1,0,1]=4 172 B14R2.1128 C1=CC=C2C(=C1)C=C(C(=N2)Cl)CO C166758 [1,1,0,0,0,0|1,0,1]=4 173 B14R2.1128 C1=CC=C2C(=C1)C=C(C(=O)N2)C=O O188068 [1,1,0,0,0,0|0,0,1]=3 174 B14R2.1128 C1=CC=C2C=C(C(=CC2=C1)C=O)O H185354 [1,1,0,0,0,0|1,0,0]=3 175 B14R2.1128 COC1=CC2=CC=CC=C2C=C1Br B405166 [1,1,0,0,0,0|2,0,0]=4 176 B14R2.1128 COC1=CC2=CC=CC=C2C=C1O M468878 [1,1,0,0,0,0|1,0,1]=4 177 B14R2.8188 C1C2=CC=CC=C2C(=O)N(C1=O)O H332991 [1,1,0,0,0,0|2,0,0]=4 178 B14R2.2332 C1=CC2=C(C=CC(=C2)Br)C=C1CO B586119 [1,1,0,0,0,0|1,1,0]=4 179 B14R2.2332 C1=CC2=C(C=CC(=C2)O)C=C1C#N C134998 [1,1,0,0,0,0|2,0,0]=4 180 B14R2.2332 C1=CC2=C(C=CC(=C2)O)C=C1C=O H156879 [1,1,0,0,0,0|2,0,0]=4 181 B14R2.2332 COC1=CC2=C(C=C1)C=C(C=C2)Br B135939 [1,1,0,0,0,0|1,1,0]=4 182 B14R2.2332 COC1=CC2=C(C=C1)C=C(C=C2)O M134987 [1,1,0,0,0,0|2,0,0]=4 183 B14R2.29369 C1=CC2=C(C=C1Br)NC=C(C2=O)Br D166472 [1,1,0,0,0,0|1,1,0]=4 184 B14R2.29369 C1=CC2=C(C=CC(=C2Br)O)C=C1Br D155556 [1,1,0,0,0,0|1,1,0]=4 185 B14R2.645 C1=C2C(=CC(=C1Cl)Cl)NC(=O)C2=O D191430 [0,1,0,0,1,0|1,0,1]=4 186 B14R2.8716 CN1C2=C(C=C(C=C2)Cl)C(=O)C1=O C154019 [0,1,0,0,1,0|1,0,1]=4 187 B14R2.9184 C1=C(C=C(C2=C1C(=O)C(=O)N2)Cl)Cl D300436 [0,1,0,0,1,0|1,0,1]=4 188 B14R2.1815 COC1=CC2=C(C=C1)C(=O)C(=O)N2 M157922 [0,1,0,0,1,0|1,0,1]=4 189 B14R2.27750 C1=C(C=C(C2=C1NC(=O)C2=O)F)F D180950 [0,1,0,0,1,0|0,1,1]=4 190 B16R2.23520 C1=CC2=C(C=C1O)OC(=O)C(=C2)C(=O)O H131313 [0,2,0,0,0,0|2,0,0]=4 191 B16R2.23521 C1=CC(=CC2=CC(=C(C=C21)O)C(=O)O)Br B135565 [0,2,0,0,0,0|1,1,0]=4 192 B14R2.8620 C1=CC(=C2C(=C1Cl)C(=O)C(=O)N2)Cl D155840 [0,0,1,1,0,0|1,0,1]=4 193 B12R1.20 C1=CC(=CC=C1C(=O)C(=O)O)Cl C349356 [0,0,1,0,1,0|1,0,1]=4 194 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl C153313 [0,0,1,0,1,0|1,0,1]=4 195 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl C153759 [0,0,1,0,1,0|1,0,1]=4 196 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl S194966 [0,0,1,0,1,0|1,0,1]=4 197 B12R2.132 C1=CC2=C(C=C1Cl)C(=O)NS2 C479077 [1,0,0,0,1,0|2,0,0]=4 198 B12R2.132 C1C2=C(C=C(C=C2)Cl)C(=O)N1 C589550 [1,0,0,0,1,0|1,0,1]=4 199 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)Cl C119759 [1,0,0,0,1,0|0,0,2]=4 200 B12R2.132 CC1=CSC2=C1C=C(C=C2)Cl C101856 [1,0,0,0,1,0|2,0,0]=4 201 B12R2.606 C1=CC2=C(C=C1Br)NC(=O)N2 B184266 [1,0,0,0,1,0|1,1,0]=4 202 B12R2.606 C1=CC2=C(C=C1Br)NC(=O)O2 B152634 [1,0,0,0,1,0|1,1,0]=4 203 B12R2.606 C1=CC2=C(C=C1Cl)NC(=O)N2 C168381 [1,0,0,0,1,0|1,0,0]=3 204 B12R2.606 C1=CC2=C(C=C1Cl)NC(=O)O2 C129514 [1,0,0,0,1,0|1,0,0]=3 205 B12R2.606 C1=CC2=C(C=C1Cl)NC(=O)O2 C427066 [1,0,0,0,1,0|1,0,0]=3 206 B12R2.606 C1=CC2=C(C=C1Cl)NC(=O)S2 C132320 [1,0,0,0,1,0|1,0,0]=3 207 B12R2.606 C1=CC2=C(C=C1Cl)NC(=S)N2 C153430 [1,0,0,0,1,0|1,1,0]=4 208 B12R2.606 C1=CC2=C(C=C1Cl)NC(=S)O2 C140285 [1,0,0,0,1,0|1,1,0]=4 209 B12R2.606 C1=CC2=C(C=C1Cl)NC(=S)S2 C136368 [1,0,0,0,1,0|1,1,0]=4 210 B12R2.606 C1=CC2=C(C=C1Cl)OC(=O)N2 C153566 [1,0,0,0,1,0|2,0,0]=4 211 B12R2.606 C1=CC2=C(C=C1Cl)SC(=O)N2 C194248 [1,0,0,0,1,0|2,0,0]=4 212 B12R2.606 C1=CC2=C(C=C1F)NC(=O)N2 F181731 [1,0,0,0,1,0|1,1,0]=4 213 B12R2.606 C1=CC2=C(C=C1F)NC(=O)O2 F167036 [1,0,0,0,1,0|1,1,0]=4 214 B12R2.606 C1=CC2=C(C=C1N)NC(=O)N2 A151158 [1,0,0,0,1,0|2,0,0]=4 215 B12R2.606 C1C2=C(C=C(C=C2)Br)NC1=O B122384 [1,0,0,0,1,0|0,1,1]=4 216 B12R2.606 C1C2=C(C=C(C=C2)Cl)NC1=O C124834 [1,0,0,0,1,0|0,0,1]=3 217 B12R2.606 C1C2=C(C=C(C=C2)F)NC1=O F185236 [1,0,0,0,1,0|0,1,1]=4 218 B12R2.606 C1C2=C(C=CC(=C2)Cl)NC1=O C119110 [1,0,0,0,1,0|2,0,0]=4 219 B12R2.606 C1C2=C(C=CC(=C2)Cl)NC1=O C615485 [1,0,0,0,1,0|2,0,0]=4 220 B12R2.606 CC1=CC2=C(C=C1)NC(=O)N2 M193829 [1,0,0,0,1,0|2,0,0]=4 221 B12R2.606 CC1=CC2=C(N1)C=C(C=C2)F F193252 [1,0,0,0,1,0|1,1,0]=4 222 B12R2.606 CC1=NC2=C(N1)C=C(C=C2)Cl C133619 [1,0,0,0,1,0|2,0,0]=4 223 B12R2.18 C1=CC2=C(NC(=O)C2=O)N=C1 H193970 [1,0,0,0,1,0|1,0,1]=4 224 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 I104664 [1,0,0,0,1,0|0,0,1]=3 225 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 I104665 [1,0,0,0,1,0|0,0,1]=3 226 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 I426911 [1,0,0,0,1,0|0,0,1]=3 227 B12R2.18 C1=CC=C2C(=C1)C(C(=O)N2)Br B588267 [1,0,0,0,1,0|1,0,1]=4 228 B12R2.18 C1C2=CC=CC=C2C(=O)C1=O I119930 [1,0,0,0,1,0|0,0,2]=4 229 B12R2.18 CC1=C(NC2=CC=CC=C12)C D103560 [1,0,0,0,1,0|2,0,0]=4 230 B12R2.18 CC1C2=CC=CC=C2NC1=O M115491 [1,0,0,0,1,0|1,0,1]=4 231 B12R2.612 CC1=CNC2=C1C=CC(=C2)Br B172675 [1,0,0,0,1,0|1,1,0]=4 232 B14R1.5978 CC(=O)CC(=O)NC1=CC(=CC=C1)Cl N159005 [0,0,1,0,0,1|0,0,2]=4