0 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br B102162 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Cl C102191 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.40 C1=CC=C(C=C1)CC(=O)NN P160484 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 C1=CC=C(C=C1)NC(=O)CCl C469406 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.40 C1=CC=C(C=C1)NC(=O)NN P160543 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.40 C1=CC=C(C=C1)OC(=O)CBr P102337 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 C=CC(=O)NC1=CC=CC=C1 N159041 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P122863 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.40 CC(=CC1=CC=CC=C1)C=O M102181 [0,0,0,0,0,0|0,0,0]=0 9 B11R1.40 CC(=CC1=CC=CC=C1)C=O M302967 [0,0,0,0,0,0|0,0,0]=0 10 B11R1.40 CC(=CC1=CC=CC=C1)CO M158501 [0,0,0,0,0,0|0,0,2]=2 11 B11R1.40 CC(CO)OC1=CC=CC=C1 P160292 [0,0,0,0,0,0|1,0,3]=4 12 B11R1.40 CCC(=O)CC1=CC=CC=C1 P160130 [0,0,0,0,0,0|2,0,2]=4 13 B11R1.40 CCC(=O)NC1=CC=CC=C1 N136678 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.40 CCC(=O)OC1=CC=CC=C1 P304243 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.40 CNC(=O)OC1=CC=CC=C1 P587924 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.40 CNC(=S)NC1=CC=CC=C1 M158401 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.40 COC(=O)CC1=CC=CC=C1 M106997 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.40 COC(=O)NC1=CC=CC=C1 N189095 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.40 COC(=O)OC1=CC=CC=C1 M302459 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.17 C1=CC(=CN=C1)C=CC=O T347360 [1,0,0,0,0,0|1,0,0]=2 21 B10R1.17 C1=CC=C(C=C1)C#CC=O P138572 [1,0,0,0,0,0|0,0,2]=3 22 B10R1.17 C1=CC=C(C=C1)C=CC#N C107581 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.17 C1=CC=C(C=C1)C=CC=O C108630 [1,0,0,0,0,0|0,0,0]=1 24 B10R1.17 C1=CC=C(C=C1)C=CC=O C108631 [1,0,0,0,0,0|0,0,0]=1 25 B10R1.17 C1=CC=C(C=C1)C=CC=O C110083 [1,0,0,0,0,0|0,0,0]=1 26 B10R1.17 C1=CC=C(C=C1)C=CC=O C110084 [1,0,0,0,0,0|0,0,0]=1 27 B10R1.17 C1=CC=C(C=C1)C=CC=O T421609 [1,0,0,0,0,0|0,0,0]=1 28 B10R1.17 C1=CC=C(C=C1)C=CCBr B163067 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.17 C1=CC=C(C=C1)C=CCCl C102165 [1,0,0,0,0,0|1,0,1]=3 30 B10R1.17 C1=CC=C(C=C1)C=CCO C110605 [1,0,0,0,0,0|0,0,2]=3 31 B10R1.17 C1=CC=C(C=C1)C=CCO C110606 [1,0,0,0,0,0|0,0,2]=3 32 B10R1.17 C1=CC=C(C=C1)C=CCO E303728 [1,0,0,0,0,0|0,0,2]=3 33 B10R1.17 C1=CC=C(C=C1)CCC=O P109695 [1,0,0,0,0,0|0,0,2]=3 34 B10R1.17 C1=CC=C(C=C1)CN=C=O B133636 [1,0,0,0,0,0|1,0,2]=4 35 B10R1.17 C1=CC=C(C=C1)CNC=O N159287 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.17 C1=CC=C(C=C1)COC=O B152855 [1,0,0,0,0,0|1,0,1]=3 37 B10R1.17 C=CC=CC1=CC=CC=C1 P305147 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.17 C=CCCC1=CC=CC=C1 P160313 [1,0,0,0,0,0|1,0,2]=4 39 B10R1.17 C=CCNC1=CC=CC=C1 N159240 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.17 C=CCOC1=CC=CC=C1 A101096 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.17 C=CCSC1=CC=CC=C1 A140290 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.17 C=COCC1=CC=CC=C1 B178307 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.18 C1=CC(=CN=C1)CC(=O)N P193047 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.18 C1=CC(=CN=C1)CC(=O)O P107547 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.18 C1=CC=C(C=C1)CC(=N)N P192301 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.18 C1=CC=C(C=C1)CC(=O)Cl P109202 [1,0,0,0,0,0|1,0,1]=3 47 B10R1.18 C1=CC=C(C=C1)CC(=O)N P160461 [1,0,0,0,0,0|1,0,1]=3 48 B10R1.18 C1=CC=C(C=C1)CC(=O)N P420433 [1,0,0,0,0,0|1,0,1]=3 49 B10R1.18 C1=CC=C(C=C1)CC(=O)O P346939 [1,0,0,0,0,0|1,0,1]=3 50 B10R1.18 C1=CC=C(C=C1)CC(=S)N P160307 [1,0,0,0,0,0|1,1,1]=4 51 B10R1.18 C1=CC=C(C=C1)C[N+](=O)[O-] N171226 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.18 C1=CC=C(C=C1)N=C(N)N P131885 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.18 C1=CC=C(C=C1)NC(=O)N P105589 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.18 C1=CC=C(C=C1)NC(=S)N P110661 [1,0,0,0,0,0|2,1,0]=4 55 B10R1.18 C1=CC=C(C=C1)OC(=O)Cl P106536 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.18 C1=CC=C(C=C1)OC(=O)N P300418 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.18 C1=CC=C(C=C1)OC(=S)Cl P119482 [1,0,0,0,0,0|2,1,0]=4 58 B10R1.18 C1=CC=C(C=C1)SC(=S)Cl P160306 [1,0,0,0,0,0|2,1,0]=4 59 B10R1.18 C1=CC=NC(=C1)CC(=O)O P106866 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N C153758 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.18 C1=CN=CC=C1CC(=O)O P101990 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.18 CC(=CC1=CC=CC=C1)C M158507 [1,0,0,0,0,0|0,0,1]=2 63 B10R1.18 CC(=O)CC1=CC=NC=C1 P134516 [1,0,0,0,0,0|1,0,1]=3 64 B10R1.18 CC(=O)CC1=CN=CC=C1 A355123 [1,0,0,0,0,0|1,0,1]=3 65 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 A151480 [1,0,0,0,0,0|1,0,1]=3 66 B10R1.18 CC(=O)NC1=CC=CC=C1 A103954 [1,0,0,0,0,0|1,0,0]=2 67 B10R1.18 CC(=O)NC1=CC=CC=C1 A103955 [1,0,0,0,0,0|1,0,0]=2 68 B10R1.18 CC(=O)NC1=CC=CC=C1 A103956 [1,0,0,0,0,0|1,0,0]=2 69 B10R1.18 CC(=O)NC1=CC=CC=C1 A103957 [1,0,0,0,0,0|1,0,0]=2 70 B10R1.18 CC(=O)NC1=CC=CC=C1 A119548 [1,0,0,0,0,0|1,0,0]=2 71 B10R1.18 CC(=O)NC1=CC=CC=N1 A151788 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.18 CC(=O)NC1=CC=NC=C1 A151787 [1,0,0,0,0,0|2,0,0]=3 73 B10R1.18 CC(=O)NC1=CN=CC=C1 A151789 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.18 CC(=O)OC1=CC=CC=C1 P108579 [1,0,0,0,0,0|1,0,0]=2 75 B10R1.18 CC(=O)OC1=CC=CC=C1 P342578 [1,0,0,0,0,0|1,0,0]=2 76 B10R1.18 CC(=O)OC1=CN=CC=C1 A151785 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.18 CC(=O)SC1=CC=CC=C1 P101831 [1,0,0,0,0,0|1,0,0]=2 78 B10R1.18 CC(=S)NC1=CC=CC=C1 T161816 [1,0,0,0,0,0|1,1,0]=3 79 B10R1.18 CC(C)CC1=CC=CC=C1 I108918 [1,0,0,0,0,0|0,0,3]=4 80 B10R1.18 CC(C)CC1=CC=CC=C1 I108919 [1,0,0,0,0,0|0,0,3]=4 81 B10R1.18 CC(C)CC1=CC=CC=C1 I108920 [1,0,0,0,0,0|0,0,3]=4 82 B10R1.18 CC(C)NC1=CC=CC=C1 I101922 [1,0,0,0,0,0|1,0,2]=4 83 B10R1.18 CC(C)NC1=CC=CC=C1 I101923 [1,0,0,0,0,0|1,0,2]=4 84 B10R1.18 CC(C)OC1=CC=CC=C1 I183364 [1,0,0,0,0,0|1,0,2]=4 85 B10R1.18 CC(CC1=CC=CC=C1)Br B168545 [1,0,0,0,0,0|1,0,2]=4 86 B10R1.18 CC(CC1=CC=CC=C1)O P160708 [1,0,0,0,0,0|0,0,3]=4 87 B10R1.18 CN(C)CC1=CC=CC=C1 D110949 [1,0,0,0,0,0|1,0,2]=4 88 B10R1.18 CN(C)CC1=CC=CC=C1 D110950 [1,0,0,0,0,0|1,0,2]=4 89 B10R1.18 CS(=O)CC1=CC=CC=C1 M334699 [1,0,0,0,0,0|1,0,1]=3 90 B10R1.18 C[Si](C)CC1=CC=CC=C1 B305093 [1,0,0,0,0,0|0,1,2]=4 91 B12R1.34 CC(=NO)C(=O)C1=CC=CC=C1 I157593 [0,1,0,0,0,0|1,0,1]=3 92 B12R1.34 CN(C(=O)C1=CC=CC=C1)OC M123463 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 M158124 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.43 C1=CC=C(C=C1)CC(=O)C(=O)O P107007 [0,1,0,0,0,0|1,0,1]=3 95 B12R1.43 C1=CC=C(C=C1)CC(=O)C(=O)O P421862 [0,1,0,0,0,0|1,0,1]=3 96 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N H586335 [0,1,0,0,0,0|1,0,2]=4 97 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N P105974 [0,1,0,0,0,0|1,0,2]=4 98 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N S136991 [0,1,0,0,0,0|1,0,2]=4 99 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)Br B587562 [0,1,0,0,0,0|1,0,2]=4 100 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N D425386 [0,1,0,0,0,0|1,0,2]=4 101 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N L354493 [0,1,0,0,0,0|1,0,2]=4 102 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P103489 [0,1,0,0,0,0|1,0,2]=4 103 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P109094 [0,1,0,0,0,0|1,0,2]=4 104 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P110424 [0,1,0,0,0,0|1,0,2]=4 105 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P110425 [0,1,0,0,0,0|1,0,2]=4 106 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O D425723 [0,1,0,0,0,0|1,0,2]=4 107 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O P102441 [0,1,0,0,0,0|1,0,2]=4 108 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O P102443 [0,1,0,0,0,0|1,0,2]=4 109 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O P113801 [0,1,0,0,0,0|1,0,2]=4 110 B12R1.43 C1=CC=C(C=C1)NC(=O)C(=O)O A354609 [0,1,0,0,0,0|2,0,0]=3 111 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B152644 [0,1,0,0,0,0|0,0,2]=3 112 B12R1.43 CC(=C)C(=O)NC1=CC=CC=C1 N159436 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.43 CC(=C)C(=O)NC1=CC=CC=C1 N491276 [0,1,0,0,0,0|3,0,0]=4 114 B12R1.43 CC(=C)C(=O)OC1=CC=CC=C1 P122856 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O M102145 [0,1,0,0,0,0|0,0,0]=1 116 B12R1.43 CC(=CC1=CC=CC=C1)[N+](=O)[O-] I136758 [0,1,0,0,0,0|1,0,0]=2 117 B12R1.43 CC(C(=O)Cl)OC1=CC=CC=C1 P160289 [0,1,0,0,0,0|1,0,1]=3 118 B12R1.43 CC(C(=O)O)OC1=CC=CC=C1 P114961 [0,1,0,0,0,0|1,0,1]=3 119 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O M165389 [0,1,0,0,0,0|0,0,2]=3 120 B12R1.43 CC(CC1=CC=CC=N1)C(=O)O M586148 [0,1,0,0,0,0|1,0,2]=4 121 B12R1.118 C1=CC=C(C=C1)C=C(C#N)C#N B151983 [0,1,0,0,0,0|1,0,2]=4 122 B12R2.18 C1=CC2=C(NC(=O)C2=O)N=C1 H193970 [0,0,0,1,0,0|3,0,0]=4 123 B12R2.18 C1=CC=C2C(=C1)C(=C(S2)Br)Br D405726 [0,0,0,1,0,0|3,0,0]=4 124 B12R2.18 C1=CC=C2C(=C1)C(=C(S2)I)Br B587166 [0,0,0,1,0,0|3,0,0]=4 125 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 I104664 [0,0,0,1,0,0|2,0,0]=3 126 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 I104665 [0,0,0,1,0,0|2,0,0]=3 127 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 I426911 [0,0,0,1,0,0|2,0,0]=3 128 B12R2.18 C1C2=CC=CC=C2C(=O)C1=O I119930 [0,0,0,1,0,0|1,0,1]=3 129 B12R2.18 CC1=C(C2=CC=CC=C2S1)Br B189377 [0,0,0,1,0,0|2,0,0]=3 130 B12R2.18 CC1=C(NC2=CC=CC=C12)C D103560 [0,0,0,1,0,0|2,0,0]=3 131 B12R2.18 CC1=CC2=CC=CC=C2N1C D103559 [0,0,0,1,0,0|2,0,0]=3 132 B12R2.18 CC1=NC2=CC=CC=C2N1C D155563 [0,0,0,1,0,0|3,0,0]=4 133 B12R2.18 CC1CC2=CC=CC=C2C1=O M587676 [0,0,0,1,0,0|0,0,2]=3 134 B12R2.24 C1=CC(=CC2=C1C=CN=C2)Br B152696 [0,0,0,1,0,0|3,0,0]=4 135 B12R2.24 C1=CC(=CC2=C1C=CN=C2)O H136867 [0,0,0,1,0,0|3,0,0]=4 136 B12R2.24 C1=CC2=C(C=C(C=C2)Br)N=C1 B152697 [0,0,0,1,0,0|3,0,0]=4 137 B12R2.24 C1=CC2=C(C=C(C=C2)Cl)N=C1 C153507 [0,0,0,1,0,0|3,0,0]=4 138 B12R2.24 C1=CC2=C(C=C(C=C2)N)N=C1 A180566 [0,0,0,1,0,0|3,0,0]=4 139 B12R2.24 C1=CC2=C(C=C(C=C2)N)N=C1 A185350 [0,0,0,1,0,0|3,0,0]=4 140 B12R2.24 C1=CC2=C(C=C(C=C2)O)N=C1 H121631 [0,0,0,1,0,0|3,0,0]=4 141 B12R2.24 C1=CC2=C(C=C(C=N2)Br)N=C1 B182212 [0,0,0,1,0,0|3,0,0]=4 142 B12R2.24 C1=CC2=C(C=C(C=N2)I)N=C1 I166626 [0,0,0,1,0,0|3,0,0]=4 143 B12R2.24 C1=CC2=C(C=C(C=N2)N)N=C1 N167379 [0,0,0,1,0,0|3,0,0]=4 144 B12R2.24 C1=CC2=C(C=CC(=C2)Br)N=C1 B101593 [0,0,0,1,0,0|3,0,0]=4 145 B12R2.24 C1=CC2=C(C=CC(=C2)Cl)N=C1 C136969 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.24 C1=CC2=C(C=CC(=C2)F)N=C1 F121640 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.24 C1=CC2=C(C=CC(=C2)I)N=C1 I157528 [0,0,0,1,0,0|3,0,0]=4 148 B12R2.24 C1=CC2=C(C=CC(=C2)N)N=C1 A115315 [0,0,0,1,0,0|3,0,0]=4 149 B12R2.24 C1=CC2=C(C=CC(=C2)O)N=C1 H101596 [0,0,0,1,0,0|3,0,0]=4 150 B12R2.24 C1=CC2=C(C=CN=C2)C=C1Br B134936 [0,0,0,1,0,0|3,0,0]=4 151 B12R2.24 C1=CC2=C(C=CN=C2)C=C1Cl C407460 [0,0,0,1,0,0|3,0,0]=4 152 B12R2.24 C1=CC2=C(C=CN=C2)C=C1N I175855 [0,0,0,1,0,0|3,0,0]=4 153 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br B113800 [0,0,0,1,0,0|2,0,0]=3 154 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Cl C185561 [0,0,0,1,0,0|2,0,0]=3 155 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)N A151247 [0,0,0,1,0,0|2,0,0]=3 156 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O H102245 [0,0,0,1,0,0|2,0,0]=3 157 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Br B123564 [0,0,0,1,0,0|3,0,0]=4 158 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Cl C110279 [0,0,0,1,0,0|3,0,0]=4 159 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)N A136404 [0,0,0,1,0,0|3,0,0]=4 160 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)N2 Q160822 [0,0,0,1,0,0|3,0,0]=4 161 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104161 [0,0,0,1,0,0|3,0,0]=4 162 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104165 [0,0,0,1,0,0|3,0,0]=4 163 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104166 [0,0,0,1,0,0|3,0,0]=4 164 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C357823 [0,0,0,1,0,0|3,0,0]=4 165 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C426918 [0,0,0,1,0,0|3,0,0]=4 166 B12R2.24 C1=CC=C2C(=C1)N=CC(=N2)Br B123033 [0,0,0,1,0,0|3,0,0]=4 167 B12R2.24 C1=CC=C2C(=C1)N=CC(=N2)Cl C132475 [0,0,0,1,0,0|3,0,0]=4 168 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 Q102233 [0,0,0,1,0,0|3,0,0]=4 169 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Br B122362 [0,0,0,1,0,0|2,0,0]=3 170 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl C304963 [0,0,0,1,0,0|2,0,0]=3 171 B12R2.24 C1=CC=C2C=C(C=CC2=C1)I I171169 [0,0,0,1,0,0|2,0,0]=3 172 B12R2.24 C1=CC=C2C=C(C=CC2=C1)N N113461 [0,0,0,1,0,0|2,0,0]=3 173 B12R2.24 C1=CC=C2C=C(C=CC2=C1)N N140874 [0,0,0,1,0,0|2,0,0]=3 174 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108421 [0,0,0,1,0,0|2,0,0]=3 175 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108422 [0,0,0,1,0,0|2,0,0]=3 176 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108423 [0,0,0,1,0,0|2,0,0]=3 177 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N421336 [0,0,0,1,0,0|2,0,0]=3 178 B12R2.24 C1=CC=C2C=C(C=CC2=C1)S N101787 [0,0,0,1,0,0|2,0,0]=3 179 B12R2.24 C1=CC=C2C=C(C=CC2=C1)[NH3+] N493715 [0,0,0,1,0,0|2,0,0]=3 180 B12R2.24 C1=CC=C2C=NC(=CC2=C1)Cl C182458 [0,0,0,1,0,0|3,0,0]=4 181 B12R2.24 C1=CC=C2C=NC(=CC2=C1)N I135729 [0,0,0,1,0,0|3,0,0]=4 182 B12R2.24 C1=CC=C2C=[N+](C=CC2=C1)[O-] I167508 [0,0,0,1,0,0|3,0,0]=4 183 B12R2.24 CC1=CC2=C(C=C1)C=NC=C2 M184470 [0,0,0,1,0,0|2,0,0]=3 184 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 M109545 [0,0,0,1,0,0|2,0,0]=3 185 B12R2.24 CC1=CC2=C(C=CC=N2)C=C1 M110340 [0,0,0,1,0,0|2,0,0]=3 186 B12R2.24 CC1=CC2=CC=CC=C2C=C1 M104862 [0,0,0,1,0,0|1,0,0]=2 187 B12R2.24 CC1=CC2=CC=CC=C2C=C1 M119488 [0,0,0,1,0,0|1,0,0]=2 188 B12R2.24 CC1=CC2=CC=CC=C2C=N1 M165965 [0,0,0,1,0,0|2,0,0]=3 189 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M103608 [0,0,0,1,0,0|1,0,0]=2 190 B12R2.24 CC1=CC2=NC=CN=C2C=C1 M185714 [0,0,0,1,0,0|3,0,0]=4 191 B12R2.24 CC1=NC2=C(C=C1)N=CC=C2 M177403 [0,0,0,1,0,0|3,0,0]=4 192 B12R2.24 CC1=NC2=C(C=CC=N2)C=C1 M138309 [0,0,0,1,0,0|3,0,0]=4 193 B12R2.24 CC1=NC2=CC=CC=C2C=C1 Q107985 [0,0,0,1,0,0|2,0,0]=3 194 B12R2.24 CC1=NC2=CC=CC=C2N=C1 M123517 [0,0,0,1,0,0|2,0,0]=3 195 B12R2.32 C1=CC2=NC(=CN2C=C1)C=O I586507 [0,0,0,1,0,0|2,0,0]=3 196 B12R2.32 C1=CC=C2C(=C1)C=C(N2)C=O I124840 [0,0,0,1,0,0|1,0,0]=2 197 B12R2.32 C1=CC=C2C(=C1)C=C(N2)CO I168983 [0,0,0,1,0,0|1,0,2]=4 198 B12R2.32 C1=CC=C2C(=C1)C=C(O2)C=O B469207 [0,0,0,1,0,0|1,0,0]=2 199 B12R2.32 C1=CC=C2C(=C1)C=C(O2)CO B489781 [0,0,0,1,0,0|1,0,2]=4 200 B12R2.32 C1=CC=C2C(=C1)C=C(S2)C#N B193892 [0,0,0,1,0,0|2,0,1]=4 201 B12R2.32 C1=CC=C2C(=C1)C=C(S2)C=O B123079 [0,0,0,1,0,0|1,0,0]=2 202 B12R2.32 C1=CC=C2C(=C1)C=C(S2)CN B479280 [0,0,0,1,0,0|2,0,1]=4 203 B12R2.32 C1=CC=C2C(=C1)C=C(S2)CO B123089 [0,0,0,1,0,0|1,0,2]=4 204 B12R2.32 C1=CC=C2C(=C1)N=C(S2)C=O B134105 [0,0,0,1,0,0|2,0,0]=3 205 B12R2.32 C1=CN=CC2=C1NC(=C2)C=O H194297 [0,0,0,1,0,0|2,0,0]=3 206 B12R2.32 C1C(=NO)CC2=CC=CC=C21 I468135 [0,0,0,1,0,0|1,0,2]=4 207 B12R2.32 CCC1=CC2=CC=CC=C2N1 E588819 [0,0,0,1,0,0|2,0,1]=4 208 B12R2.32 CCC1=CC2=CC=CC=C2O1 E183611 [0,0,0,1,0,0|2,0,1]=4 209 B10R1.15 C#CC(=O)C1=CC=CC=C1 P303550 [0,0,0,0,1,0|2,0,1]=4 210 B10R1.15 C1=CC=C(C=C1)C(=NO)N B139085 [0,0,0,0,1,0|2,0,1]=4 211 B10R1.15 C1=CC=C(C=C1)C(=O)C#N B101370 [0,0,0,0,1,0|2,0,1]=4 212 B10R1.15 C1=CC=C(C=C1)C(=O)C=O P165810 [0,0,0,0,1,0|1,0,0]=2 213 B10R1.15 C1=CC=C(C=C1)C(=O)CBr B103328 [0,0,0,0,1,0|2,0,1]=4 214 B10R1.15 C1=CC=C(C=C1)C(=O)CBr B131582 [0,0,0,0,1,0|2,0,1]=4 215 B10R1.15 C1=CC=C(C=C1)C(=O)CCl C475739 [0,0,0,0,1,0|2,0,1]=4 216 B10R1.15 C1=CC=C(C=C1)C(=O)CN A123237 [0,0,0,0,1,0|2,0,1]=4 217 B10R1.15 C1=CC=C(C=C1)C(=O)CO H102370 [0,0,0,0,1,0|1,0,2]=4 218 B10R1.15 C1=CC=C(C=C1)C(=O)NN B104697 [0,0,0,0,1,0|3,0,0]=4 219 B10R1.15 C1=CC=C(C=C1)C(=O)NO B152659 [0,0,0,0,1,0|2,0,1]=4 220 B10R1.15 C1=CC=C(C=C1)C(=O)N[O-] S161112 [0,0,0,0,1,0|2,0,1]=4 221 B10R1.15 C=CC(=O)C1=CC=CC=C1 P304587 [0,0,0,0,1,0|2,0,0]=3 222 B10R1.15 C=CC(C1=CC=CC=C1)Cl V303368 [0,0,0,0,1,0|2,0,1]=4 223 B10R1.15 C=CC(C1=CC=CC=C1)O V189138 [0,0,0,0,1,0|2,0,1]=4 224 B10R1.15 CC(=NO)C1=CC=CC=C1 A151383 [0,0,0,0,1,0|1,0,1]=3 225 B10R1.15 CC(=NO)C1=CC=CC=C1 A467913 [0,0,0,0,1,0|1,0,1]=3 226 B10R1.15 CC(C#N)C1=CC=CC=C1 M468313 [0,0,0,0,1,0|1,0,2]=4 227 B10R1.15 CC(C1=CC=CC=C1)NC I168221 [0,0,0,0,1,0|2,0,1]=4 228 B10R1.15 CC(C1=CC=CC=C1)NC I171118 [0,0,0,0,1,0|2,0,1]=4 229 B10R1.15 CC(C1=CC=CC=C1)NC I286935 [0,0,0,0,1,0|2,0,1]=4 230 B10R1.15 CC(C1=CC=CC=C1)[N+]#[C-] B300007 [0,0,0,0,1,0|2,0,1]=4 231 B10R1.15 CC(C=O)C1=CC=CC=C1 P160754 [0,0,0,0,1,0|0,0,1]=2 232 B10R1.15 CC(CN)C1=CC=CC=C1 P191947 [0,0,0,0,1,0|1,0,2]=4 233 B10R1.15 CC(CN)C1=CC=CC=C1 R160849 [0,0,0,0,1,0|1,0,2]=4 234 B10R1.15 CC(CO)C1=CC=CC=C1 P160710 [0,0,0,0,1,0|0,0,3]=4 235 B10R1.15 CC(CO)C1=CC=CC=C1 R489486 [0,0,0,0,1,0|0,0,3]=4 236 B10R1.15 CCC(=C)C1=CC=CC=C1 B302726 [0,0,0,0,1,0|1,0,2]=4 237 B10R1.15 CCC(C)C1=CC=CC=C1 B100253 [0,0,0,0,1,0|1,0,2]=4 238 B10R1.15 CCC(C)C1=CC=CC=C1 B100254 [0,0,0,0,1,0|1,0,2]=4 239 B10R1.15 CCC(C)C1=CC=CC=C1 B128164 [0,0,0,0,1,0|1,0,2]=4 240 B10R1.15 CCN(C)C1=CC=CC=C1 N589658 [0,0,0,0,1,0|2,0,1]=4 241 B10R1.15 CN(C1=CC=CC=C1)N=O N134509 [0,0,0,0,1,0|2,0,0]=3 242 B10R1.15 CN(C=O)C1=CC=CC=C1 M106700 [0,0,0,0,1,0|1,0,0]=2 243 B10R1.15 CNC(=O)C1=CC=CC=C1 N304144 [0,0,0,0,1,0|3,0,0]=4 244 B10R1.15 COC(=N)C1=CC=CC=C1 M158319 [0,0,0,0,1,0|3,0,0]=4 245 B10R1.15 COC(=O)C1=CC=CC=C1 M108588 [0,0,0,0,1,0|3,0,0]=4 246 B10R1.15 COC(=O)C1=CC=CC=C1 M108589 [0,0,0,0,1,0|3,0,0]=4 247 B10R1.15 COC(=O)C1=CC=CC=C1 M108590 [0,0,0,0,1,0|3,0,0]=4 248 B10R1.15 COC(=O)C1=CC=CC=C1 M108591 [0,0,0,0,1,0|3,0,0]=4 249 B10R1.15 COC(=O)C1=CC=CC=C1 M282394 [0,0,0,0,1,0|3,0,0]=4 250 B10R1.15 C[C@H](CO)C1=CC=CC=C1 S489449 [0,0,0,0,1,0|0,0,3]=4 251 B10R1.15 C\C=C(\C)/C1=CC=CC=C1 C348081 [0,0,0,0,1,0|1,0,0]=2 252 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B122888 [0,0,0,0,0,1|2,0,1]=4 253 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B151902 [0,0,0,0,0,1|2,0,1]=4 254 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M106187 [0,0,0,0,0,1|3,0,0]=4 255 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M167947 [0,0,0,0,0,1|3,0,0]=4 256 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M420410 [0,0,0,0,0,1|3,0,0]=4 257 B9R1.8 C1=CC=C(C=C1)C=CBr B152003 [2,0,0,0,0,0|1,0,0]=3 258 B9R1.8 C1=CC=C(C=C1)C=NN B589372 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.8 C1=CC=C(C=C1)C=NO T135657 [2,0,0,0,0,0|1,0,1]=4 260 B9R1.8 C1=CC=C(C=C1)CC=O P105078 [2,0,0,0,0,0|0,0,1]=3 261 B9R1.8 C1=CC=C(C=C1)CC=O P105080 [2,0,0,0,0,0|0,0,1]=3 262 B9R1.8 C1=CC=C(C=C1)CC=O P420978 [2,0,0,0,0,0|0,0,1]=3 263 B9R1.8 C1=CC=C(C=C1)N=C=O P304914 [2,0,0,0,0,0|1,0,1]=4 264 B9R1.8 C1=CC=C(C=C1)N=S=O N159148 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.8 C1=CC=C(C=C1)NC=O F112354 [2,0,0,0,0,0|1,0,0]=3 266 B9R1.8 C1=CC=C(C=C1)OC=O P305264 [2,0,0,0,0,0|1,0,0]=3 267 B9R1.8 C=CCC1=CC=CC=C1 A101037 [2,0,0,0,0,0|0,0,1]=3 268 B9R1.8 C=CSC1=CC=CC=C1 P101810 [2,0,0,0,0,0|1,0,0]=3 269 B9R1.8 C=C[CH-]C1=CC=CC=C1 P129181 [2,0,0,0,0,0|0,0,1]=3 270 B9R1.8 CC#CC1=CC=CC=C1 P141240 [2,0,0,0,0,0|0,0,2]=4 271 B9R1.8 CC=CC1=CC=CC=C1 C153576 [2,0,0,0,0,0|0,0,0]=2 272 B9R1.8 CC=CC1=CC=CC=C1 M136687 [2,0,0,0,0,0|0,0,0]=2 273 B9R1.8 CC=CC1=CC=CC=C1 T134052 [2,0,0,0,0,0|0,0,0]=2 274 B9R1.8 CC=CC1=CC=CC=C1 T301941 [2,0,0,0,0,0|0,0,0]=2 275 B9R1.8 CCCC1=CC=CC=C1 P104621 [2,0,0,0,0,0|0,0,2]=4 276 B9R1.8 CCCC1=CC=CC=C1 P104624 [2,0,0,0,0,0|0,0,2]=4 277 B9R1.8 CCCC1=CC=CC=C1 P104625 [2,0,0,0,0,0|0,0,2]=4 278 B9R1.8 CCCC1=CC=CC=C1 P104626 [2,0,0,0,0,0|0,0,2]=4 279 B9R1.8 CCCC1=CC=CC=C1 P128158 [2,0,0,0,0,0|0,0,2]=4 280 B9R1.8 CCNC1=CC=CC=C1 E103974 [2,0,0,0,0,0|1,0,1]=4 281 B9R1.8 CCOC1=CC=CC=C1 E108654 [2,0,0,0,0,0|1,0,1]=4 282 B9R1.8 CCOC1=CC=CC=C1 E108655 [2,0,0,0,0,0|1,0,1]=4 283 B9R1.8 CCSC1=CC=CC=C1 E101809 [2,0,0,0,0,0|1,0,1]=4 284 B9R1.8 CNCC1=CC=CC=C1 B106919 [2,0,0,0,0,0|1,0,1]=4 285 B9R1.8 COCC1=CC=CC=C1 B103161 [2,0,0,0,0,0|1,0,1]=4 286 B9R1.8 COCC1=CC=CC=C1 B591251 [2,0,0,0,0,0|1,0,1]=4 287 B9R1.8 CSCC1=CC=CC=C1 B152510 [2,0,0,0,0,0|1,0,1]=4 288 B11R1.1 C1=CC(=CC=C1C=CC=O)Br T102188 [1,1,0,0,0,0|0,0,0]=2 289 B11R1.1 C1=CC(=CC=C1C=CC=O)Cl E193580 [1,1,0,0,0,0|0,0,0]=2 290 B11R1.1 C1=CC(=CC=C1C=CC=O)F F156576 [1,1,0,0,0,0|0,0,0]=2 291 B11R1.1 CC1=CC=C(C=C1)C=CC=O E589502 [1,1,0,0,0,0|0,0,0]=2 292 B11R1.16 C1=CC=C(C=C1)C(=O)C=NO W136367 [1,1,0,0,0,0|1,0,1]=4 293 B11R1.16 C=COC(=O)C1=CC=CC=C1 V162943 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.16 CC(CC=O)C1=CC=CC=C1 P468811 [1,1,0,0,0,0|0,0,2]=4 295 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P122944 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.17 C1=CC=C(C(=C1)C=CC=O)Br E302788 [1,1,0,0,0,0|0,0,0]=2 297 B11R1.17 C1=CC=C(C(=C1)C=CC=O)O H157419 [1,1,0,0,0,0|0,0,0]=2 298 B11R1.24 C1=CC(=CC(=C1)Cl)CCC=O C167090 [1,1,0,0,0,0|0,0,2]=4 299 B11R1.24 CC1=CC(=CC=C1)C=CC=O E590785 [1,1,0,0,0,0|0,0,0]=2 300 B11R1.28 C1=CC=C(C=C1)CCNC=O I168819 [1,1,0,0,0,0|0,0,2]=4 301 B11R1.28 C1=CC=C(C=C1)CCOC=O F302132 [1,1,0,0,0,0|0,0,2]=4 302 B11R1.28 C1=CC=C(C=C1)COCC=O B136421 [1,1,0,0,0,0|0,0,2]=4 303 B11R1.91 C1=CC(=CN=C1)C=CC(=O)O P160635 [1,1,0,0,0,0|1,0,0]=3 304 B11R1.91 C1=CC(=CN=C1)C=CC(=O)O T138424 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.91 C1=CC(=CN=C1)C=C[N+](=O)[O-] N159802 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.91 C1=CC=C(C=C1)C#CC(=O)N P589991 [1,1,0,0,0,0|0,0,2]=4 307 B11R1.91 C1=CC=C(C=C1)C#CC(=O)O P133964 [1,1,0,0,0,0|0,0,2]=4 308 B11R1.91 C1=CC=C(C=C1)C=CC(=O)Cl C106841 [1,1,0,0,0,0|0,0,0]=2 309 B11R1.91 C1=CC=C(C=C1)C=CC(=O)Cl T347639 [1,1,0,0,0,0|0,0,0]=2 310 B11R1.91 C1=CC=C(C=C1)C=CC(=O)N C101731 [1,1,0,0,0,0|0,0,0]=2 311 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108494 [1,1,0,0,0,0|0,0,0]=2 312 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108495 [1,1,0,0,0,0|0,0,0]=2 313 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108496 [1,1,0,0,0,0|0,0,0]=2 314 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108497 [1,1,0,0,0,0|0,0,0]=2 315 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O P478163 [1,1,0,0,0,0|0,0,0]=2 316 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O T421496 [1,1,0,0,0,0|0,0,0]=2 317 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] C167677 [1,1,0,0,0,0|0,0,0]=2 318 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] C170870 [1,1,0,0,0,0|0,0,0]=2 319 B11R1.91 C1=CC=C(C=C1)C=C[N+](=O)[O-] N122699 [1,1,0,0,0,0|1,0,0]=3 320 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl P101406 [1,1,0,0,0,0|0,0,2]=4 321 B11R1.91 C1=CC=C(C=C1)CCC(=O)N P160460 [1,1,0,0,0,0|0,0,2]=4 322 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109276 [1,1,0,0,0,0|0,0,2]=4 323 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109277 [1,1,0,0,0,0|0,0,2]=4 324 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P424323 [1,1,0,0,0,0|0,0,2]=4 325 B11R1.91 C1=CC=C(C=C1)CNC(=O)N B136656 [1,1,0,0,0,0|1,0,1]=4 326 B11R1.91 C1=CC=C(C=C1)COC(=O)Cl B105737 [1,1,0,0,0,0|1,0,1]=4 327 B11R1.91 C1=CC=C(C=C1)COC(=O)N B152709 [1,1,0,0,0,0|1,0,1]=4 328 B11R1.91 C1=CC=C(C=C1)NCC(=O)N A357212 [1,1,0,0,0,0|1,0,1]=4 329 B11R1.91 C1=CC=C(C=C1)NCC(=O)O P111407 [1,1,0,0,0,0|1,0,1]=4 330 B11R1.91 C1=CC=C(C=C1)NCC(=O)[O-] N133268 [1,1,0,0,0,0|1,0,1]=4 331 B11R1.91 C1=CC=C(C=C1)NNC(=O)N P160542 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.91 C1=CC=C(C=C1)OCC(=O)Cl P160117 [1,1,0,0,0,0|1,0,1]=4 333 B11R1.91 C1=CC=C(C=C1)OCC(=O)N P300417 [1,1,0,0,0,0|1,0,1]=4 334 B11R1.91 C1=CC=C(C=C1)OCC(=O)O P107024 [1,1,0,0,0,0|1,0,1]=4 335 B11R1.91 C1=CC=C(C=C1)OCC(=O)O P107025 [1,1,0,0,0,0|1,0,1]=4 336 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] S563686 [1,1,0,0,0,0|1,0,1]=4 337 B11R1.91 C1=CC=C(C=C1)SCC(=O)Cl B301376 [1,1,0,0,0,0|1,0,1]=4 338 B11R1.91 C1=CC=C(C=C1)SCC(=O)O P101811 [1,1,0,0,0,0|1,0,1]=4 339 B11R1.91 C1=CC=NC(=C1)C=CC(=O)O E189192 [1,1,0,0,0,0|1,0,0]=3 340 B11R1.91 C1=CN=CC=C1C=CC(=O)O P160631 [1,1,0,0,0,0|1,0,0]=3 341 B11R1.91 C1=CN=CC=C1C=CC(=O)O T189221 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.91 C1=CN=CC=C1C=C[N+](=O)[O-] E586100 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P160127 [1,1,0,0,0,0|0,0,2]=4 344 B11R1.91 CC(=O)C=CC1=CC=CC=C1 P111783 [1,1,0,0,0,0|0,0,0]=2 345 B11R1.91 CC(=O)C=CC1=CC=CC=C1 P111784 [1,1,0,0,0,0|0,0,0]=2 346 B11R1.91 CC(=O)C=CC1=CC=CC=C1 T121970 [1,1,0,0,0,0|0,0,0]=2 347 B11R1.91 CC(=O)CCC1=CC=CC=C1 P106914 [1,1,0,0,0,0|0,0,2]=4 348 B11R1.91 CC(=O)COC1=CC=CC=C1 P160134 [1,1,0,0,0,0|1,0,1]=4 349 B11R1.91 CC(=O)NCC1=CC=CC=C1 N159297 [1,1,0,0,0,0|1,0,1]=4 350 B11R1.91 CC(=O)NNC1=CC=CC=C1 A100226 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109251 [1,1,0,0,0,0|1,0,1]=4 352 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109253 [1,1,0,0,0,0|1,0,1]=4 353 B11R1.20 C1=CC(=CC=C1C=C(Br)Br)Br B587080 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)Cl C153891 [1,1,0,0,0,0|1,0,1]=4 355 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F F469238 [1,1,0,0,0,0|1,0,1]=4 356 B11R1.20 C1=CC(=CC=C1CC(=O)N)O H117443 [1,1,0,0,0,0|1,0,1]=4 357 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br B101317 [1,1,0,0,0,0|1,0,1]=4 358 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl C103600 [1,1,0,0,0,0|1,0,1]=4 359 B11R1.20 C1=CC(=CC=C1CC(=O)O)F F115807 [1,1,0,0,0,0|1,0,1]=4 360 B11R1.20 C1=CC(=CC=C1CC(=O)O)I I132292 [1,1,0,0,0,0|1,0,1]=4 361 B11R1.20 C1=CC(=CC=C1CC(=O)O)N A110093 [1,1,0,0,0,0|1,0,1]=4 362 B11R1.20 C1=CC(=CC=C1CC(=O)O)O H103972 [1,1,0,0,0,0|1,0,1]=4 363 B11R1.20 C1=CC(=CC=C1CC(=O)O)O H421869 [1,1,0,0,0,0|1,0,1]=4 364 B11R1.20 C1=CC(=CC=C1CC(=O)O)S M471020 [1,1,0,0,0,0|1,0,1]=4 365 B11R1.20 C1=CC(=CC=C1NC(=O)N)Br B152706 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.20 C1=CC(=CC=C1NC(=O)N)Cl C167191 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.20 C1=CC(=CC=C1NC(=O)N)F F156722 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl C139256 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)F F193118 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.20 CC(=O)CC1=CC=C(C=C1)Br B133524 [1,1,0,0,0,0|0,0,1]=3 371 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl C136193 [1,1,0,0,0,0|0,0,1]=3 372 B11R1.20 CC(=O)CC1=CC=C(C=C1)F F123996 [1,1,0,0,0,0|0,0,1]=3 373 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br B152718 [1,1,0,0,0,0|1,0,0]=3 374 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl C105638 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.20 CC(=O)NC1=CC=C(C=C1)F F124470 [1,1,0,0,0,0|1,0,0]=3 376 B11R1.20 CC(=O)NC1=CC=C(C=C1)F F579463 [1,1,0,0,0,0|1,0,0]=3 377 B11R1.20 CC(=O)NC1=CC=C(C=C1)I I135865 [1,1,0,0,0,0|1,0,0]=3 378 B11R1.20 CC(=O)NC1=CC=C(C=C1)N A100947 [1,1,0,0,0,0|1,0,0]=3 379 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A105807 [1,1,0,0,0,0|1,0,0]=3 380 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A105808 [1,1,0,0,0,0|1,0,0]=3 381 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A105809 [1,1,0,0,0,0|1,0,0]=3 382 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A135872 [1,1,0,0,0,0|1,0,0]=3 383 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A136987 [1,1,0,0,0,0|1,0,0]=3 384 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A305928 [1,1,0,0,0,0|1,0,0]=3 385 B11R1.20 CC(=O)NC1=CC=C(C=C1)S A100956 [1,1,0,0,0,0|1,0,0]=3 386 B11R1.20 CC(=O)NC1=NC=C(C=C1)Br A151676 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.20 CC(=O)NC1=NC=C(C=C1)I A405615 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.20 CC(=O)OC1=CC=C(C=C1)F A124503 [1,1,0,0,0,0|1,0,0]=3 389 B11R1.20 CC(=O)OC1=CC=C(C=C1)O A588726 [1,1,0,0,0,0|1,0,0]=3 390 B11R1.20 CC1=CC=C(C=C1)CC(=O)O T100785 [1,1,0,0,0,0|1,0,1]=4 391 B11R1.20 CC1=CC=C(C=C1)NC(=O)C P160549 [1,1,0,0,0,0|1,0,0]=3 392 B11R1.20 CC1=CC=C(C=C1)OC(=O)C P160555 [1,1,0,0,0,0|1,0,0]=3 393 B11R1.20 CC1=CC=C(C=C1)OC(=O)Cl P343127 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.36 C1=CC=C(C=C1)C(=O)C(=O)O P100867 [1,1,0,0,0,0|1,0,0]=3 395 B11R1.36 C1=CC=C(C=C1)C(=O)C(=O)O P425066 [1,1,0,0,0,0|1,0,0]=3 396 B11R1.36 C1=CC=C(C=C1)C(C(=O)Cl)Cl D133626 [1,1,0,0,0,0|1,0,1]=4 397 B11R1.36 C1=CC=C(C=C1)C(C(=O)N)N D189180 [1,1,0,0,0,0|1,0,1]=4 398 B11R1.36 C1=CC=C(C=C1)C(C(=O)N)N S185796 [1,1,0,0,0,0|1,0,1]=4 399 B11R1.36 C1=CC=C(C=C1)C(C(=O)N)O M342074 [1,1,0,0,0,0|1,0,1]=4 400 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br B107957 [1,1,0,0,0,0|1,0,1]=4 401 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Cl C170509 [1,1,0,0,0,0|1,0,1]=4 402 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)F A131766 [1,1,0,0,0,0|1,0,1]=4 403 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N P101745 [1,1,0,0,0,0|1,0,1]=4 404 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N P109235 [1,1,0,0,0,0|1,0,1]=4 405 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N P109236 [1,1,0,0,0,0|1,0,1]=4 406 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O D304135 [1,1,0,0,0,0|1,0,1]=4 407 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M104996 [1,1,0,0,0,0|1,0,1]=4 408 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M104997 [1,1,0,0,0,0|1,0,1]=4 409 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M107076 [1,1,0,0,0,0|1,0,1]=4 410 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M111210 [1,1,0,0,0,0|1,0,1]=4 411 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O R425065 [1,1,0,0,0,0|1,0,1]=4 412 B11R1.36 C1=CC=C(C=C1)C(C(=O)[O-])O S161413 [1,1,0,0,0,0|1,0,1]=4 413 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O P121707 [1,1,0,0,0,0|1,0,0]=3 414 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P194033 [1,1,0,0,0,0|0,0,0]=2 415 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 N159396 [1,1,0,0,0,0|1,0,0]=3 416 B11R1.36 CC(=O)N(C1=CC=CC=C1)Cl N159271 [1,1,0,0,0,0|1,0,0]=3 417 B11R1.36 CC(C(=O)C1=CC=CC=C1)Cl C154066 [1,1,0,0,0,0|1,0,1]=4 418 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 I134082 [1,1,0,0,0,0|0,0,2]=4 419 B11R1.36 CC(C1=CC=CC=C1)C(=O)O B102422 [1,1,0,0,0,0|1,0,1]=4 420 B11R1.36 CC(C1=CC=CC=C1)C(=O)O P102421 [1,1,0,0,0,0|1,0,1]=4 421 B11R1.36 CC(C1=CC=CC=C1)C(=O)O P128106 [1,1,0,0,0,0|1,0,1]=4 422 B11R1.36 CC(C1=CC=CC=C1)C(=O)O P424260 [1,1,0,0,0,0|1,0,1]=4 423 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 I134083 [1,1,0,0,0,0|1,0,1]=4 424 B11R1.36 CN(C1=CC=CC=C1)C(=O)Cl N342076 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.86 C1=CC=C(C(=C1)CC(=O)Cl)Cl C153892 [1,1,0,0,0,0|1,0,1]=4 426 B11R1.86 C1=CC=C(C(=C1)CC(=O)N)Cl C483633 [1,1,0,0,0,0|1,0,1]=4 427 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br B113791 [1,1,0,0,0,0|1,0,1]=4 428 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Cl C103598 [1,1,0,0,0,0|1,0,1]=4 429 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)F F107762 [1,1,0,0,0,0|1,0,1]=4 430 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)I I103139 [1,1,0,0,0,0|1,0,1]=4 431 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)N A169654 [1,1,0,0,0,0|1,0,1]=4 432 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O H102037 [1,1,0,0,0,0|1,0,1]=4 433 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O H425093 [1,1,0,0,0,0|1,0,1]=4 434 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O H501351 [1,1,0,0,0,0|1,0,1]=4 435 B11R1.86 C1=CC=C(C(=C1)NC(=O)N)Br B152705 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.86 C1=CC=C(C(=C1)OC(=O)Cl)Cl C345491 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.86 CC(=O)CC1=CC=CC=C1Br B132331 [1,1,0,0,0,0|0,0,1]=3 438 B11R1.86 CC(=O)CC1=CC=CC=C1F W135424 [1,1,0,0,0,0|0,0,1]=3 439 B11R1.86 CC(=O)NC1=C(C=CC=N1)O N169499 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.86 CC(=O)NC1=CC=CC=C1Br B152714 [1,1,0,0,0,0|1,0,0]=3 441 B11R1.86 CC(=O)NC1=CC=CC=C1Cl C153728 [1,1,0,0,0,0|1,0,0]=3 442 B11R1.86 CC(=O)NC1=CC=CC=C1F F156682 [1,1,0,0,0,0|1,0,0]=3 443 B11R1.86 CC(=O)NC1=CC=CC=C1I I464440 [1,1,0,0,0,0|1,0,0]=3 444 B11R1.86 CC(=O)NC1=CC=CC=C1N A135471 [1,1,0,0,0,0|1,0,0]=3 445 B11R1.86 CC(=O)NC1=CC=CC=C1O A107221 [1,1,0,0,0,0|1,0,0]=3 446 B11R1.86 CC(=O)OC1=CC=CC=C1Cl C153423 [1,1,0,0,0,0|1,0,0]=3 447 B11R1.86 CC(=O)OC1=CC=CC=C1I I169597 [1,1,0,0,0,0|1,0,0]=3 448 B11R1.86 CC1=C(N=CC=C1)NC(=O)C A186388 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.86 CC1=CC=CC=C1CC(=O)O T110067 [1,1,0,0,0,0|1,0,1]=4 450 B11R1.86 CC1=CC=CC=C1NC(=O)C O160015 [1,1,0,0,0,0|1,0,0]=3 451 B11R1.86 CC1=CC=CC=C1NC(=O)N O159960 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O B152293 [1,1,0,0,0,0|1,0,1]=4 453 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)N C194062 [1,1,0,0,0,0|1,0,1]=4 454 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O C106487 [1,1,0,0,0,0|1,0,1]=4 455 B11R1.157 C1=CC(=CC(=C1)F)CC(=O)O F156749 [1,1,0,0,0,0|1,0,1]=4 456 B11R1.157 C1=CC(=CC(=C1)I)CC(=O)O I122872 [1,1,0,0,0,0|1,0,1]=4 457 B11R1.157 C1=CC(=CC(=C1)N)CC(=O)O A123133 [1,1,0,0,0,0|1,0,1]=4 458 B11R1.157 C1=CC(=CC(=C1)NC(=O)N)N N347561 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.157 C1=CC(=CC(=C1)O)CC(=O)O A115482 [1,1,0,0,0,0|1,0,1]=4 460 B11R1.157 C1=CC(=CC(=C1)O)CC(=O)O H425145 [1,1,0,0,0,0|1,0,1]=4 461 B11R1.157 C1=CC(=CC(=C1)O)NC(=O)N H157251 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.157 CC(=O)CC1=CC(=CC=C1)Cl C154068 [1,1,0,0,0,0|0,0,1]=3 463 B11R1.157 CC(=O)CC1=CC(=CC=C1)F F191541 [1,1,0,0,0,0|0,0,1]=3 464 B11R1.157 CC(=O)NC1=CC(=CC=C1)Cl C153718 [1,1,0,0,0,0|1,0,0]=3 465 B11R1.157 CC(=O)NC1=CC(=CC=C1)F F133396 [1,1,0,0,0,0|1,0,0]=3 466 B11R1.157 CC(=O)NC1=CC(=CC=C1)O H157231 [1,1,0,0,0,0|1,0,0]=3 467 B11R1.157 CC(=O)NC1=CC=CC(=C1)N A151227 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.157 CC(=O)NC1=CC=CC(=N1)N A151791 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.157 CC(=O)OC1=CC(=CC=C1)Br B303510 [1,1,0,0,0,0|1,0,0]=3 470 B11R1.157 CC(=O)OC1=CC(=CC=C1)F F156589 [1,1,0,0,0,0|1,0,0]=3 471 B11R1.157 CC(=O)OC1=CC=CC(=C1)O R160926 [1,1,0,0,0,0|1,0,0]=3 472 B11R1.157 CC1=CC(=CC=C1)CC(=O)O M158763 [1,1,0,0,0,0|1,0,1]=4 473 B11R1.157 CC1=CC(=CC=C1)NC(=O)C M158141 [1,1,0,0,0,0|1,0,0]=3 474 B11R1.157 CC1=CC(=CC=C1)NC(=O)N M353832 [1,1,0,0,0,0|2,0,0]=4 475 B11R1.157 CC1=CC(=CC=C1)OC(=O)C M158126 [1,1,0,0,0,0|1,0,0]=3 476 B11R1.157 CC1=CC(=NC=C1)NC(=O)C M124103 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.157 CC1=NC(=CC=C1)NC(=O)C N138955 [1,1,0,0,0,0|2,0,0]=4 478 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 N158938 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.509 CS(=O)(=O)OC1=CC=CC=C1 P160511 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.7 C[Si](C)(C=C)C1=CC=CC=C1 D189731 [0,1,0,0,1,0|1,1,0]=4 481 B11R1.7 C[Si](C=C)(C1=CC=CC=C1)Cl C191531 [0,1,0,0,1,0|1,1,0]=4 482 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Br B187187 [0,1,0,0,1,0|1,0,0]=3 483 B11R1.22 CC(=NO)C1=CC=C(C=C1)O H157119 [0,1,0,0,1,0|1,0,1]=4 484 B11R1.22 CC1=CC=C(C=C1)N(C)C=O N159308 [0,1,0,0,1,0|1,0,0]=3 485 B11R1.22 CN(C=O)C1=CC=C(C=C1)Cl C153737 [0,1,0,0,1,0|1,0,0]=3 486 B11R1.222 CC1=CC=CC=C1N(C)C=O N159307 [0,1,0,0,1,0|1,0,0]=3 487 B13R1.42 C=COC(=O)C=CC1=CC=CC=C1 V162950 [0,1,0,0,0,1|2,0,0]=4 488 B13R1.351 C1=CC=C(C=C1)CCC(=O)C(=O)O O159999 [0,1,0,0,0,1|1,0,1]=4 489 B13R1.348 CC(=CC(=O)C)NC1=CC=CC=C1 P469011 [0,2,0,0,0,0|1,0,0]=3 490 B13R1.152 CC(C(=O)C)C(=O)C1=CC=CC=C1 M194487 [0,2,0,0,0,0|0,0,1]=3 491 B13R1.133 C1=CC(=CC=C1CC(=O)C(=O)O)O H138306 [0,2,0,0,0,0|1,0,1]=4 492 B13R1.133 CC(C(=O)O)OC1=CC=C(C=C1)O H102466 [0,2,0,0,0,0|1,0,1]=4 493 B13R1.148 CC(C(=O)O)OC1=CC(=CC=C1)Cl C114952 [0,2,0,0,0,0|1,0,1]=4 494 B13R1.148 CC(C(=O)O)OC1=CC(=CC=C1)Cl C118405 [0,2,0,0,0,0|1,0,1]=4 495 B13R1.202 CC(C(=O)O)OC1=CC=CC=C1Cl C153835 [0,2,0,0,0,0|1,0,1]=4 496 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O D193980 [0,2,0,0,0,0|0,0,2]=4 497 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N M166002 [0,2,0,0,0,0|0,0,2]=4 498 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N P107874 [0,2,0,0,0,0|0,0,2]=4 499 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N P118306 [0,2,0,0,0,0|0,0,2]=4 500 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br B194097 [1,0,0,1,0,0|2,0,0]=4 501 B11R2.1 C1=CC=C2C(=C1)C(=CS2)Br B189193 [1,0,0,1,0,0|2,0,0]=4 502 B11R2.1 C1=CC=C2C(=C1)C(=O)NN2 H134010 [1,0,0,1,0,0|2,0,0]=4 503 B11R2.1 C1=CC=C2C(=C1)C(=O)NO2 B138497 [1,0,0,1,0,0|2,0,0]=4 504 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 B107479 [1,0,0,1,0,0|2,0,0]=4 505 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 B406425 [1,0,0,1,0,0|2,0,0]=4 506 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 B598939 [1,0,0,1,0,0|2,0,0]=4 507 B11R2.1 C1C(=O)C2=CC=CC=C2O1 B119781 [1,0,0,1,0,0|1,0,1]=4 508 B11R2.1 C1C2=CC=CC=C2C(=O)N1 I170551 [1,0,0,1,0,0|1,0,1]=4 509 B11R2.1 C1C2=CC=CC=C2C(=O)O1 P104476 [1,0,0,1,0,0|1,0,1]=4 510 B11R2.1 C1CC(=O)C2=CC=CC=C21 I106436 [1,0,0,1,0,0|0,0,2]=4 511 B11R2.1 C1CC(=O)C2=CC=CC=C21 I426156 [1,0,0,1,0,0|0,0,2]=4 512 B11R2.1 CC1=CNC2=CC=CC=C12 M426157 [1,0,0,1,0,0|2,0,0]=4 513 B11R2.1 CC1=CNC2=CC=CC=C12 S104736 [1,0,0,1,0,0|2,0,0]=4 514 B11R2.1 CC1=CSC2=CC=CC=C12 M101861 [1,0,0,1,0,0|2,0,0]=4 515 B11R2.1 CN1C=CC2=CC=CC=C21 M108007 [1,0,0,1,0,0|2,0,0]=4 516 B11R2.20 C1=CC2=C(C=CC=N2)N=C1 N133086 [1,0,0,1,0,0|2,0,0]=4 517 B11R2.20 C1=CC2=C(N=C1)N=CC=C2 N133764 [1,0,0,1,0,0|2,0,0]=4 518 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 Q110656 [1,0,0,1,0,0|1,0,0]=3 519 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 Q110657 [1,0,0,1,0,0|1,0,0]=3 520 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 Q110658 [1,0,0,1,0,0|1,0,0]=3 521 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 Q134192 [1,0,0,1,0,0|1,0,0]=3 522 B11R2.20 C1=CC=C2C(=C1)C=CC=[NH+]2 Q160825 [1,0,0,1,0,0|1,0,0]=3 523 B11R2.20 C1=CC=C2C(=C1)C=NC=N2 Q107983 [1,0,0,1,0,0|2,0,0]=4 524 B11R2.20 C1=CC=C2C(=C1)N=CC=N2 Q160826 [1,0,0,1,0,0|2,0,0]=4 525 B11R2.20 C1=CC=C2C=CC=CC2=C1 N110796 [1,0,0,1,0,0|1,0,0]=3 526 B11R2.20 C1=CC=C2C=CC=CC2=C1 N110798 [1,0,0,1,0,0|1,0,0]=3 527 B11R2.20 C1=CC=C2C=CC=CC2=C1 N110799 [1,0,0,1,0,0|1,0,0]=3 528 B11R2.20 C1=CC=C2C=CC=CC2=C1 N110801 [1,0,0,1,0,0|1,0,0]=3 529 B11R2.20 C1=CC=C2C=CC=CC2=C1 N114091 [1,0,0,1,0,0|1,0,0]=3 530 B11R2.20 C1=CC=C2C=CC=CC2=C1 N119547 [1,0,0,1,0,0|1,0,0]=3 531 B11R2.20 C1=CC=C2C=CC=CC2=C1 N128175 [1,0,0,1,0,0|1,0,0]=3 532 B11R2.20 C1=CC=C2C=CC=CC2=C1 N141241 [1,0,0,1,0,0|1,0,0]=3 533 B11R2.20 C1=CC=C2C=NC=CC2=C1 I105573 [1,0,0,1,0,0|2,0,0]=4 534 B11R2.20 C1=CC=C2C=[C-]C=CC2=C1 N140702 [1,0,0,1,0,0|1,0,1]=4 535 B11R2.20 C1=CC=C2[C-]=CC=CC2=C1 N140777 [1,0,0,1,0,0|1,0,0]=3 536 B11R2.20 C1C=CCC2=CC=CC=C21 D155281 [1,0,0,1,0,0|1,0,1]=4 537 B11R2.20 C1CC2=CC=CC=C2C=C1 D155011 [1,0,0,1,0,0|1,0,1]=4 538 B11R2.10 C1=CC=C2C(=C1)C=C(N2)I I588481 [1,0,0,1,0,0|2,0,0]=4 539 B11R2.10 C1=CC=C2C(=C1)C=C(O2)Br B589404 [1,0,0,1,0,0|1,0,1]=4 540 B11R2.10 C1=CC=C2C(=C1)C=C(S2)Br B185084 [1,0,0,1,0,0|1,1,0]=4 541 B11R2.10 C1=CC=C2C(=C1)C=C(S2)I I169943 [1,0,0,1,0,0|1,1,0]=4 542 B11R2.10 C1=CC=C2C(=C1)NC(=O)N2 H135655 [1,0,0,1,0,0|2,0,0]=4 543 B11R2.10 C1=CC=C2C(=C1)NC(=O)O2 B111321 [1,0,0,1,0,0|2,0,0]=4 544 B11R2.10 C1=CC=C2C(=C1)NC(=O)S2 H157277 [1,0,0,1,0,0|2,0,0]=4 545 B11R2.10 C1C(=O)CC2=CC=CC=C21 I111208 [1,0,0,1,0,0|0,0,1]=3 546 B11R2.10 C1C2=C(NC1=O)N=CC=C2 H176810 [1,0,0,1,0,0|2,0,0]=4 547 B11R2.10 C1C2=CC=CC=C2C=C1Br B124235 [1,0,0,1,0,0|1,0,0]=3 548 B11R2.10 C1C2=CC=CC=C2NC1=O O100775 [1,0,0,1,0,0|1,0,0]=3 549 B11R2.10 C1C2=CC=CC=C2OC1=O C103572 [1,0,0,1,0,0|1,0,0]=3 550 B11R2.10 C1C2=CC=CC=C2SC1=O B353634 [1,0,0,1,0,0|1,0,0]=3 551 B11R2.10 CC1=CC2=C(N1)C=CC=N2 M304502 [1,0,0,1,0,0|2,0,0]=4 552 B11R2.10 CC1=CC2=C(N1)N=CC=C2 M175848 [1,0,0,1,0,0|2,0,0]=4 553 B11R2.10 CC1=CC2=CC=CC=C2N1 M100903 [1,0,0,1,0,0|1,0,0]=3 554 B11R2.10 CC1=CC2=CC=CC=C2O1 M135139 [1,0,0,1,0,0|0,0,1]=3 555 B11R2.10 CC1=CC2=CC=CC=C2S1 M158052 [1,0,0,1,0,0|0,1,0]=3 556 B11R2.10 CC1=NC2=CC=CC=C2N1 M110232 [1,0,0,1,0,0|2,0,0]=4 557 B11R2.10 CC1=NC2=CC=CC=C2O1 M158477 [1,0,0,1,0,0|1,0,1]=4 558 B11R2.10 CC1=NC2=CC=CC=C2S1 M101883 [1,0,0,1,0,0|1,1,0]=4 559 B11R2.36 CC1=CC2=C(C=C1)C=CN2 M107953 [0,0,0,1,1,0|2,0,0]=4 560 B11R2.36 CC1=CC2=C(C=C1)NC=C2 M113638 [0,0,0,1,1,0|2,0,0]=4 561 B11R2.36 CC1=CC2=C(C=C1)SC=C2 M158051 [0,0,0,1,1,0|2,0,0]=4 562 B11R2.36 CC1=CC2=C(NC=C2)N=C1 M134033 [0,0,0,1,1,0|2,0,0]=4 563 B13R2.10 C1=CC=C(C=C1)C2=CC=C(S2)Br B152933 [0,0,0,1,0,1|2,0,0]=4 564 B13R2.10 C1=CC=C(C=C1)C2=CC=C(S2)I I157455 [0,0,0,1,0,1|2,0,0]=4 565 B13R2.10 CC1=CN=C(N1)C2=CC=CC=C2 M139301 [0,0,0,1,0,1|1,0,0]=3 566 B13R2.10 CC1=NC(=CS1)C2=CC=CC=C2 M404668 [0,0,0,1,0,1|2,0,0]=4 567 B13R2.10 CC1=NC(=NO1)C2=CC=CC=C2 M341768 [0,0,0,1,0,1|2,0,0]=4 568 B13R2.10 CC1=NC=C(N1)C2=CC=CC=C2 M190742 [0,0,0,1,0,1|2,0,0]=4 569 B13R2.10 CC1=NN(C=C1)C2=CC=CC=C2 M158361 [0,0,0,1,0,1|2,0,0]=4 570 B13R2.10 CC1=NOC(=C1)C2=CC=CC=C2 M165384 [0,0,0,1,0,1|1,0,1]=4 571 B13R2.32 C1=CC=C2C(=C1)C(=C(C=N2)Br)Cl B479435 [0,0,0,1,0,1|2,0,0]=4 572 B13R2.32 C1=CC=C2C(=C1)C(=C(C=N2)Br)N A184061 [0,0,0,1,0,1|2,0,0]=4 573 B13R2.32 C1=CC=C2C(=C1)C(=O)C(=CN2)Br B177058 [0,0,0,1,0,1|1,0,0]=3 574 B13R2.32 C1=CC=C2C(=C1)C(=O)C(=CN2)I I139143 [0,0,0,1,0,1|1,0,0]=3 575 B13R2.32 C1=CC=C2C(=C1)C(=O)N(C=N2)N A468759 [0,0,0,1,0,1|2,0,0]=4 576 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2Br)N B587992 [0,0,0,1,0,1|2,0,0]=4 577 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2Br)O B113799 [0,0,0,1,0,1|2,0,0]=4 578 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2Cl)N C587556 [0,0,0,1,0,1|2,0,0]=4 579 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2Cl)O C405501 [0,0,0,1,0,1|2,0,0]=4 580 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2I)O I168379 [0,0,0,1,0,1|2,0,0]=4 581 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)Br A151779 [0,0,0,1,0,1|2,0,0]=4 582 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)O A113869 [0,0,0,1,0,1|2,0,0]=4 583 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)O D156000 [0,0,0,1,0,1|1,0,1]=4 584 B13R2.32 C1=CC=C2C(=C1)C=CC(=O)C2=O N113473 [0,0,0,1,0,1|1,0,0]=3 585 B13R2.32 CC1=C(C2=C(C=C1)C=NC=C2)Br B331979 [0,0,0,1,0,1|2,0,0]=4 586 B13R2.32 CC1=C(C2=C(C=C1)N=CC=C2)N A170637 [0,0,0,1,0,1|2,0,0]=4 587 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)Br B133089 [0,0,0,1,0,1|1,0,0]=3 588 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)C D155010 [0,0,0,1,0,1|1,0,0]=3 589 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)N A111244 [0,0,0,1,0,1|1,0,0]=3 590 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)O M355650 [0,0,0,1,0,1|0,0,1]=3 591 B13R2.32 CC1=C(C=CC2=CC=CC=C12)O M586324 [0,0,0,1,0,1|2,0,0]=4 592 B13R2.32 CC1=[N+](C2=CC=CC=C2C=C1)[O-] M405749 [0,0,0,1,0,1|1,0,1]=4 593 B13R2.32 CC1CCC2=CC=CC=C2C1=O M167630 [0,0,0,1,0,1|0,0,2]=4 594 B13R2.32 CN1C=CC2=CC=CC=C2C1=O M589178 [0,0,0,1,0,1|1,0,0]=3 595 B13R2.57 C1=CC2=C(C=C(C=C2)C=O)N=C1 Q133722 [0,0,0,1,0,1|1,0,1]=4 596 B13R2.57 C1=CC2=C(C=CC(=C2)C=O)N=C1 Q160817 [0,0,0,1,0,1|1,0,1]=4 597 B13R2.57 C1=CC=C2C(=C1)C=C(C=N2)C=O Q123866 [0,0,0,1,0,1|0,0,1]=3 598 B13R2.57 C1=CC=C2C(=C1)C=CC(=N2)C=O Q106458 [0,0,0,1,0,1|1,0,0]=3 599 B13R2.57 C1=CC=C2C(=C1)N=CC(=N2)C=O Q337874 [0,0,0,1,0,1|1,0,0]=3 600 B13R2.57 C1=CC=C2C=C(C=CC2=C1)C=O N106388 [0,0,0,1,0,1|0,0,1]=3 601 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 V102929 [0,0,0,1,0,1|1,0,1]=4 602 B13R2.15 C1=CC=C(C=C1)C2=C(C=NN2)Br B152232 [0,1,0,1,0,0|2,0,0]=4 603 B13R2.15 CC1=C(C=NN1)C2=CC=CC=C2 M478685 [0,1,0,1,0,0|2,0,0]=4 604 B13R2.135 C1=CC=C2C(=C1)C(=C(N2)Br)C=O B573559 [0,1,0,1,0,0|2,0,0]=4 605 B13R2.135 CC1=C(C2=CC=CC=C2N1)C=O M123431 [0,1,0,1,0,0|1,0,0]=3 606 B13R2.135 CCN1C(=CC2=CC=CC=C21)C E133332 [0,1,0,1,0,0|1,0,1]=4 607 B13R2.328 C1=CC=C2C(=C1)C(=O)C=C(N2)N B301240 [0,1,0,1,0,0|2,0,0]=4 608 B13R2.328 C1=CC=C2C(=C1)C(=O)NC(=N2)N A331977 [0,1,0,1,0,0|2,0,0]=4 609 B13R2.328 C1=CC=C2C(=C1)C(=O)NC(=O)N2 B152549 [0,1,0,1,0,0|2,0,0]=4 610 B13R2.328 C1=CC=C2C(=C1)C(=O)NC(=O)O2 B123043 [0,1,0,1,0,0|2,0,0]=4 611 B13R2.328 C1=CC=C2C(=C1)C(=O)NC(=S)N2 M158467 [0,1,0,1,0,0|2,0,0]=4 612 B13R2.328 C1=CC=C2C(=C1)C(=O)OC(=O)N2 I157688 [0,1,0,1,0,0|2,0,0]=4 613 B13R2.328 C1=CC=C2C(=C1)C=C(C=C2Br)O B589453 [0,1,0,1,0,0|2,0,0]=4 614 B13R2.328 C1=CC=C2C(=C1)C=C(C=C2O)O D106385 [0,1,0,1,0,0|1,0,1]=4 615 B13R2.328 C1=CC=C2C(=C1)C=C(N=C2Br)N B586969 [0,1,0,1,0,0|2,0,0]=4 616 B13R2.328 C1=CC=C2C(=C1)C=C(N=C2Cl)Cl D119411 [0,1,0,1,0,0|2,0,0]=4 617 B13R2.328 C1C2=CC=CC=C2C(=O)NC1=O I193440 [0,1,0,1,0,0|1,0,1]=4 618 B13R2.328 C1C2=CC=CC=C2C(=O)OC1=O H134415 [0,1,0,1,0,0|1,0,1]=4 619 B13R2.328 CC1=CC(=NC2=CC=CC=C12)C D123636 [0,1,0,1,0,0|2,0,0]=4 620 B13R2.328 CC1=CC(=O)C2=CC=CC=C2N1 H120274 [0,1,0,1,0,0|1,0,0]=3 621 B13R2.328 CC1=CC(=O)C2=CC=CC=C2O1 M589535 [0,1,0,1,0,0|1,0,0]=3 622 B13R2.328 CC1=CC2=CC=CC=C2C(=C1)C D155003 [0,1,0,1,0,0|1,0,0]=3 623 B13R2.328 CC1=NC(=NC2=CC=CC=C12)C D589944 [0,1,0,1,0,0|2,0,0]=4 624 B13R2.328 CC1=NC2=C(C=CN=C2)C(=O)N1 M588231 [0,1,0,1,0,0|2,0,0]=4 625 B13R2.328 CC1=NC2=CC=CC=C2C(=C1)Br B193623 [0,1,0,1,0,0|2,0,0]=4 626 B13R2.328 CC1=NC2=CC=CC=C2C(=C1)Cl C139382 [0,1,0,1,0,0|2,0,0]=4 627 B13R2.328 CC1=NC2=CC=CC=C2C(=C1)N A113940 [0,1,0,1,0,0|2,0,0]=4 628 B13R2.328 CC1=NC2=CC=CC=C2C(=O)N1 M158468 [0,1,0,1,0,0|1,0,0]=3 629 B13R2.328 CC1=NC2=CC=CC=C2C(=O)O1 M299522 [0,1,0,1,0,0|1,0,0]=3 630 B13R2.45 C1C2=CC=CC=C2C(=O)C1=NO I167438 [0,1,0,1,0,0|1,0,1]=4 631 B13R2.45 CN1C2=CC=CC=C2C=C1C=O M169198 [0,1,0,1,0,0|0,0,0]=2 632 B13R2.45 CN1C2=CC=CC=C2N=C1C=O M588637 [0,1,0,1,0,0|1,0,0]=3 633 B13R2.3085 C1=CC=C2C(=C1)C(=O)N(C2=O)Br N137544 [0,1,0,1,0,0|2,0,0]=4 634 B13R2.3085 C1=CC=C2C(=C1)C(=O)N(C2=O)Cl I135091 [0,1,0,1,0,0|2,0,0]=4 635 B13R2.3085 C1=CC=C2C(=C1)C(=O)N(C2=O)N N159267 [0,1,0,1,0,0|2,0,0]=4 636 B13R2.3085 C1=CC=C2C(=C1)C(=O)N(C2=O)O H106354 [0,1,0,1,0,0|2,0,0]=4 637 B13R2.3085 CN1C(=O)C2=CC=CC=C2C1=O N138987 [0,1,0,1,0,0|1,0,0]=3 638 B13R2.3085 CN1C2=CC=CC=C2C(=O)C1=O M157921 [0,1,0,1,0,0|2,0,0]=4 639 B13R2.369 C1=CC=C2C(=C1)C=C(C(=N2)I)Br B469823 [0,1,0,1,0,0|2,0,0]=4 640 B13R2.369 C1=CC=C2C(=C1)C=C(C(=O)N2)Br B467471 [0,1,0,1,0,0|1,0,0]=3 641 B13R2.369 C1=CC=C2C(=C1)C=C(C(=O)O2)N A151702 [0,1,0,1,0,0|1,0,0]=3 642 B13R2.369 C1=CC=C2C(=C1)C=C(C(=O)O2)O H305006 [0,1,0,1,0,0|1,0,0]=3 643 B13R2.369 C1=CC=C2C(=C1)NC(=O)C(=O)N2 D123522 [0,1,0,1,0,0|2,0,0]=4 644 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)Br)Br D155587 [0,1,0,1,0,0|2,0,0]=4 645 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)N)N D110922 [0,1,0,1,0,0|2,0,0]=4 646 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)N)O A133883 [0,1,0,1,0,0|1,0,1]=4 647 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)O)Br B152849 [0,1,0,1,0,0|1,0,1]=4 648 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)O)Br B474670 [0,1,0,1,0,0|1,0,1]=4 649 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)O)O D103157 [0,1,0,1,0,0|1,0,1]=4 650 B13R2.369 CC1=CC2=C(C=CC=N2)C=C1Br B180449 [0,1,0,1,0,0|2,0,0]=4 651 B13R2.369 CC1=CC2=CC=CC=C2C=C1C D154999 [0,1,0,1,0,0|1,0,0]=3 652 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl C136403 [0,1,0,1,0,0|1,0,0]=3 653 B13R2.369 CC1=NC2=CC=CC=C2N=C1C D123515 [0,1,0,1,0,0|2,0,0]=4 654 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl C169579 [0,1,0,1,0,0|2,0,0]=4 655 B13R2.423 C1C(C1C(=O)O)C2=CC=CC=C2 T139465 [0,1,0,1,0,0|0,0,2]=4 656 B13R2.435 C1=CC2=NC(=CN2C=C1)C(=O)O I123222 [0,1,0,1,0,0|2,0,0]=4 657 B13R2.435 C1=CC=C2C(=C1)C=C(N2)C(=O)O I107987 [0,1,0,1,0,0|1,0,0]=3 658 B13R2.435 C1=CC=C2C(=C1)C=C(O2)C(=O)O B170589 [0,1,0,1,0,0|1,0,0]=3 659 B13R2.435 C1=CC=C2C(=C1)C=C(O2)[N+](=O)[O-] N192776 [0,1,0,1,0,0|2,0,0]=4 660 B13R2.435 C1=CC=C2C(=C1)C=C(S2)C(=O)Cl B133836 [0,1,0,1,0,0|1,0,0]=3 661 B13R2.435 C1=CC=C2C(=C1)C=C(S2)C(=O)O B152934 [0,1,0,1,0,0|1,0,0]=3 662 B13R2.435 C1=CC=C2C(=C1)NC(=N2)C(=O)O H134909 [0,1,0,1,0,0|2,0,0]=4 663 B13R2.435 C1C(CC2=CC=CC=C21)C(=O)O I135596 [0,1,0,1,0,0|0,0,2]=4 664 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O I103166 [0,1,0,1,0,0|1,0,1]=4 665 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O I115487 [0,1,0,1,0,0|1,0,1]=4 666 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O I119118 [0,1,0,1,0,0|1,0,1]=4 667 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 A346740 [0,1,0,1,0,0|1,0,0]=3 668 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 B167750 [0,1,0,1,0,0|1,0,0]=3 669 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 A119133 [0,1,0,1,0,0|1,0,0]=3 670 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 H195957 [0,1,0,1,0,0|2,0,0]=4 671 B13R2.435 CC(=O)C1=NC2=CC=CC=C2S1 A478732 [0,1,0,1,0,0|2,0,0]=4 672 B13R2.435 CC(=O)C1CC2=CC=CC=C2C1 I588783 [0,1,0,1,0,0|0,0,2]=4 673 B13R2.43 C1=C(C=NC2=C1OC(=C2)C=O)Br B166210 [0,1,0,1,0,0|2,0,0]=4 674 B13R2.43 C1=CC2=C(C=C1Br)C=C(O2)C=O B480579 [0,1,0,1,0,0|1,0,0]=3 675 B13R2.43 C1=CC2=C(C=C1Br)C=C(S2)C=O B354148 [0,1,0,1,0,0|1,0,0]=3 676 B13R2.43 C1=CC2=C(C=C1Br)SC(=C2)C=O B354146 [0,1,0,1,0,0|1,0,0]=3 677 B13R2.43 C1=CC2=C(C=C1Cl)C=C(N2)C=O C589391 [0,1,0,1,0,0|1,0,0]=3 678 B13R2.3028 C1=CC2=C(C=C1Br)C(=O)C(=O)N2 B124836 [0,1,0,1,0,0|2,0,0]=4 679 B13R2.3028 C1=CC2=C(C=C1Cl)C(=O)C(=O)N2 C134325 [0,1,0,1,0,0|2,0,0]=4 680 B13R2.3028 C1=CC2=C(C=C1F)C(=O)C(=O)N2 F138845 [0,1,0,1,0,0|2,0,0]=4 681 B13R2.3028 C1=CC2=C(C=C1I)C(=O)C(=O)N2 I157456 [0,1,0,1,0,0|2,0,0]=4 682 B13R2.3028 CC1=C(NC2=C1C=C(C=C2)Br)C B184620 [0,1,0,1,0,0|2,0,0]=4 683 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O M139069 [0,1,0,1,0,0|2,0,0]=4 684 B13R2.3028 CC1CC2=C(C1=O)C=C(C=C2)F F347878 [0,1,0,1,0,0|0,0,2]=4 685 B13R2.3683 C1=CC2=C(C=CC(=C2)Br)C=C1Br D101017 [0,1,0,1,0,0|2,0,0]=4 686 B13R2.3683 C1=CC2=C(C=CC(=C2)Br)C=C1Br D130106 [0,1,0,1,0,0|2,0,0]=4 687 B13R2.3683 C1=CC2=C(C=CC(=C2)Br)C=C1F B152882 [0,1,0,1,0,0|2,0,0]=4 688 B13R2.3683 C1=CC2=C(C=CC(=C2)Br)C=C1N A186412 [0,1,0,1,0,0|2,0,0]=4 689 B13R2.3683 C1=CC2=C(C=CC(=C2)Br)C=C1O B120300 [0,1,0,1,0,0|2,0,0]=4 690 B13R2.3683 C1=CC2=C(C=CC(=C2)N)C=C1N N588234 [0,1,0,1,0,0|2,0,0]=4 691 B13R2.3683 C1=CC2=C(C=CC(=C2)O)C=C1O D156012 [0,1,0,1,0,0|2,0,0]=4 692 B13R2.3683 CC1=CC2=C(C=C1)C=C(C=C2)C D113443 [0,1,0,1,0,0|1,0,0]=3 693 B13R2.3683 CC1=CC2=C(C=C1)N=C(C=C2)C D136801 [0,1,0,1,0,0|2,0,0]=4 694 B13R2.3683 CC1=CC2=C(C=C1)OC(=O)C=C2 M102159 [0,1,0,1,0,0|2,0,0]=4 695 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)Br B136505 [0,1,0,1,0,0|2,0,0]=4 696 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)Cl C153508 [0,1,0,1,0,0|2,0,0]=4 697 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)F F165980 [0,1,0,1,0,0|2,0,0]=4 698 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N A151250 [0,1,0,1,0,0|2,0,0]=4 699 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)Br)Br D101018 [0,1,0,1,0,0|2,0,0]=4 700 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)Br)O B152877 [0,1,0,1,0,0|2,0,0]=4 701 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)O)O D104853 [0,1,0,1,0,0|2,0,0]=4 702 B13R2.155 C1=CC2=NC=C(C=C2C=C1Br)O B193893 [0,1,0,1,0,0|2,0,0]=4 703 B13R2.155 C1=CC2=NC=C(C=C2C=C1N)Br B186172 [0,1,0,1,0,0|2,0,0]=4 704 B13R2.155 CC1=CC2=C(C=C1)C=CC(=C2)C D155001 [0,1,0,1,0,0|1,0,0]=3 705 B13R2.155 CC1=CC2=C(C=C1)C=CC(=O)O2 M158663 [0,1,0,1,0,0|2,0,0]=4 706 B13R2.155 CC1=CC2=C(C=CC(=C2)Br)N=C1 B480637 [0,1,0,1,0,0|1,0,0]=3 707 B13R2.155 CC1=NC2=C(C=C1)C=CC(=C2)Br B193577 [0,1,0,1,0,0|2,0,0]=4 708 B13R2.155 CC1=NC2=C(C=C1)C=CC(=C2)Cl C103602 [0,1,0,1,0,0|2,0,0]=4 709 B13R2.4856 C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2 B153060 [0,1,0,1,0,0|2,0,0]=4 710 B13R2.4856 C1=CC2=C(C(=C1)Cl)C(=O)C(=O)N2 C153327 [0,1,0,1,0,0|2,0,0]=4 711 B13R2.4856 C1=CC2=C(C(=C1)I)C(=O)C(=O)N2 I588052 [0,1,0,1,0,0|2,0,0]=4 712 B13R2.4856 CN1CC2=C(C1=O)C(=CC=C2)N A177385 [0,1,0,1,0,0|1,0,1]=4 713 B13R2.5179 C1=CC2=C(C=CC(=C2)Br)C(=C1)O B590694 [0,1,0,1,0,0|2,0,0]=4 714 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)N A136056 [0,1,0,1,0,0|2,0,0]=4 715 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)O D154708 [0,1,0,1,0,0|2,0,0]=4 716 B13R2.5179 C1=CC2=CC(=CN=C2C(=C1)N)Br B407399 [0,1,0,1,0,0|2,0,0]=4 717 B13R2.5179 CC1=CC2=C(C=C1)C(=O)C=CN2 M337111 [0,1,0,1,0,0|2,0,0]=4 718 B13R2.5179 CC1=CC2=CC=CC(=C2C=C1)C D171060 [0,1,0,1,0,0|1,0,0]=3 719 B13R2.5179 CC1=CC2=NC=CC(=C2C=C1)Cl C479278 [0,1,0,1,0,0|2,0,0]=4 720 B13R2.5179 CC1=NC2=CC=CC(=C2C=C1)N M193854 [0,1,0,1,0,0|2,0,0]=4 721 B13R2.5190 C1=CC2=C(C=C1Br)NC(=O)C2=O B124372 [0,1,0,1,0,0|2,0,0]=4 722 B13R2.5190 C1=CC2=C(C=C1Cl)NC(=O)C2=O C136451 [0,1,0,1,0,0|2,0,0]=4 723 B13R2.5190 C1=CC2=C(C=C1F)NC(=O)C2=O F183689 [0,1,0,1,0,0|2,0,0]=4 724 B13R2.5190 CN1CC2=C(C1=O)C=CC(=C2)Br B195428 [0,1,0,1,0,0|1,0,1]=4 725 B13R2.5190 CN1CC2=C(C1=O)C=CC(=C2)N A172441 [0,1,0,1,0,0|1,0,1]=4 726 B13R2.162 C1=CC2=C(C=C(C=C2)Br)C(=C1)N B587086 [0,1,0,1,0,0|2,0,0]=4 727 B13R2.162 C1=CC2=C(C=C(C=C2)F)C(=C1)O F588686 [0,1,0,1,0,0|2,0,0]=4 728 B13R2.162 C1=CC2=C(C=C(C=C2)N)C(=C1)Br B587599 [0,1,0,1,0,0|2,0,0]=4 729 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)N A115390 [0,1,0,1,0,0|2,0,0]=4 730 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)N A196891 [0,1,0,1,0,0|2,0,0]=4 731 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)O D156007 [0,1,0,1,0,0|2,0,0]=4 732 B13R2.162 C1=CC2=C(C=C(C=N2)Br)C(=C1)O B189728 [0,1,0,1,0,0|2,0,0]=4 733 B13R2.162 CC1=CC2=C(C=C1)NC=CC2=O H168855 [0,1,0,1,0,0|2,0,0]=4 734 B13R2.162 CC1=CC2=C(C=C1)OC=CC2=O M158437 [0,1,0,1,0,0|2,0,0]=4 735 B13R2.162 CC1=CC2=C(C=CC=C2N)C=C1 M194622 [0,1,0,1,0,0|1,0,0]=3 736 B13R2.162 CC1=CC2=C(C=CN=C2C=C1)Cl C153505 [0,1,0,1,0,0|2,0,0]=4 737 B13R2.162 CC1=NC2=C(C=CC=C2Br)C=C1 B123549 [0,1,0,1,0,0|2,0,0]=4 738 B13R2.162 CC1=NC2=C(C=CC=C2Cl)C=C1 C169413 [0,1,0,1,0,0|2,0,0]=4 739 B13R2.162 CC1=NC2=C(C=CC=C2N)C=C1 A151248 [0,1,0,1,0,0|2,0,0]=4 740 B13R2.162 CC1=NC2=C(C=CC=C2O)C=C1 H111087 [0,1,0,1,0,0|2,0,0]=4 741 B13R2.4825 C1=CC2=C(C(=C1)Br)NC(=O)C2=O B153061 [0,1,0,1,0,0|2,0,0]=4 742 B13R2.4825 C1=CC2=C(C(=C1)Cl)NC(=O)C2=O C119313 [0,1,0,1,0,0|2,0,0]=4 743 B13R2.4825 C1=CC2=C(C(=C1)F)NC(=O)C2=O F156764 [0,1,0,1,0,0|2,0,0]=4 744 B13R2.4825 C1=CC2=C(C(=C1)I)NC(=O)C2=O I352434 [0,1,0,1,0,0|2,0,0]=4 745 B13R2.4825 CC1=C2C(=CC=C1)C(=O)C(=O)N2 M138035 [0,1,0,1,0,0|2,0,0]=4 746 B13R2.4825 CC1CC2=C(C1=O)C=CC=C2Br B151860 [0,1,0,1,0,0|0,0,2]=4 747 B13R2.4825 CN1CC2=C(C1=O)C=CC=C2Br B589121 [0,1,0,1,0,0|1,0,1]=4 748 B9R1.12 C1=COC(=C1)C=CC=O F103082 [1,0,0,0,1,0|1,0,0]=3 749 B9R1.6 C1=CC(=CN=C1)C(=O)Cl N107157 [1,0,0,0,1,0|2,0,0]=4 750 B9R1.6 C1=CC(=CN=C1)C(=O)N BWY396895 [1,0,0,0,1,0|2,0,0]=4 751 B9R1.6 C1=CC(=CN=C1)C(=O)N BWY396901 [1,0,0,0,1,0|2,0,0]=4 752 B9R1.6 C1=CC(=CN=C1)C(=O)N N105042 [1,0,0,0,1,0|2,0,0]=4 753 B9R1.6 C1=CC(=CN=C1)C(=O)N N105043 [1,0,0,0,1,0|2,0,0]=4 754 B9R1.6 C1=CC(=CN=C1)C(=O)N N108086 [1,0,0,0,1,0|2,0,0]=4 755 B9R1.6 C1=CC(=CN=C1)C(=O)N N108087 [1,0,0,0,1,0|2,0,0]=4 756 B9R1.6 C1=CC(=CN=C1)C(=O)N N434628 [1,0,0,0,1,0|2,0,0]=4 757 B9R1.6 C1=CC(=CN=C1)C(=O)O N103652 [1,0,0,0,1,0|2,0,0]=4 758 B9R1.6 C1=CC(=CN=C1)C(=O)O N103654 [1,0,0,0,1,0|2,0,0]=4 759 B9R1.6 C1=CC(=CN=C1)C(=O)O N118655 [1,0,0,0,1,0|2,0,0]=4 760 B9R1.6 C1=CC(=CN=C1)C(=O)O N118656 [1,0,0,0,1,0|2,0,0]=4 761 B9R1.6 C1=CC(=CN=C1)C(=O)O N433033 [1,0,0,0,1,0|2,0,0]=4 762 B9R1.6 C1=CC(=CN=C1)C(=O)[O-] S161385 [1,0,0,0,1,0|2,0,0]=4 763 B9R1.6 C1=CC=C(C=C1)C(=N)N B100938 [1,0,0,0,1,0|2,0,0]=4 764 B9R1.6 C1=CC=C(C=C1)C(=N)N B100967 [1,0,0,0,1,0|2,0,0]=4 765 B9R1.6 C1=CC=C(C=C1)C(=N)N B349126 [1,0,0,0,1,0|2,0,0]=4 766 B9R1.6 C1=CC=C(C=C1)C(=N)N B422069 [1,0,0,0,1,0|2,0,0]=4 767 B9R1.6 C1=CC=C(C=C1)C(=O)Br B152056 [1,0,0,0,1,0|1,0,0]=3 768 B9R1.6 C1=CC=C(C=C1)C(=O)Cl B104565 [1,0,0,0,1,0|1,0,0]=3 769 B9R1.6 C1=CC=C(C=C1)C(=O)Cl B104566 [1,0,0,0,1,0|1,0,0]=3 770 B9R1.6 C1=CC=C(C=C1)C(=O)Cl B305868 [1,0,0,0,1,0|1,0,0]=3 771 B9R1.6 C1=CC=C(C=C1)C(=O)F B152051 [1,0,0,0,1,0|1,0,0]=3 772 B9R1.6 C1=CC=C(C=C1)C(=O)N B110551 [1,0,0,0,1,0|1,0,0]=3 773 B9R1.6 C1=CC=C(C=C1)C(=O)N B110552 [1,0,0,0,1,0|1,0,0]=3 774 B9R1.6 C1=CC=C(C=C1)C(=O)N B118608 [1,0,0,0,1,0|1,0,0]=3 775 B9R1.6 C1=CC=C(C=C1)C(=O)O B116254 [1,0,0,0,1,0|1,0,0]=3 776 B9R1.6 C1=CC=C(C=C1)C(=O)O B116255 [1,0,0,0,1,0|1,0,0]=3 777 B9R1.6 C1=CC=C(C=C1)C(=O)O B116256 [1,0,0,0,1,0|1,0,0]=3 778 B9R1.6 C1=CC=C(C=C1)C(=O)O B116259 [1,0,0,0,1,0|1,0,0]=3 779 B9R1.6 C1=CC=C(C=C1)C(=O)O B116260 [1,0,0,0,1,0|1,0,0]=3 780 B9R1.6 C1=CC=C(C=C1)C(=O)O B116262 [1,0,0,0,1,0|1,0,0]=3 781 B9R1.6 C1=CC=C(C=C1)C(=O)O B117657 [1,0,0,0,1,0|1,0,0]=3 782 B9R1.6 C1=CC=C(C=C1)C(=O)O B119541 [1,0,0,0,1,0|1,0,0]=3 783 B9R1.6 C1=CC=C(C=C1)C(=O)O B291747 [1,0,0,0,1,0|1,0,0]=3 784 B9R1.6 C1=CC=C(C=C1)C(=O)O B302170 [1,0,0,0,1,0|1,0,0]=3 785 B9R1.6 C1=CC=C(C=C1)C(=O)O B425323 [1,0,0,0,1,0|1,0,0]=3 786 B9R1.6 C1=CC=C(C=C1)C(=O)O B433248 [1,0,0,0,1,0|1,0,0]=3 787 B9R1.6 C1=CC=C(C=C1)C(=O)S T161810 [1,0,0,0,1,0|1,0,0]=3 788 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] A112559 [1,0,0,0,1,0|1,0,0]=3 789 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] A112561 [1,0,0,0,1,0|1,0,0]=3 790 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] C347199 [1,0,0,0,1,0|1,0,0]=3 791 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] C349185 [1,0,0,0,1,0|1,0,0]=3 792 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] L102020 [1,0,0,0,1,0|1,0,0]=3 793 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] P104052 [1,0,0,0,1,0|1,0,0]=3 794 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104124 [1,0,0,0,1,0|1,0,0]=3 795 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104125 [1,0,0,0,1,0|1,0,0]=3 796 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104127 [1,0,0,0,1,0|1,0,0]=3 797 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104128 [1,0,0,0,1,0|1,0,0]=3 798 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S124683 [1,0,0,0,1,0|1,0,0]=3 799 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S424558 [1,0,0,0,1,0|1,0,0]=3 800 B9R1.6 C1=CC=C(C=C1)C(=S)N T111125 [1,0,0,0,1,0|1,1,0]=4 801 B9R1.6 C1=CC=C(C=C1)S(=O)O B589671 [1,0,0,0,1,0|2,0,0]=4 802 B9R1.6 C1=CC=C(C=C1)S(=O)[O-] B111697 [1,0,0,0,1,0|2,0,0]=4 803 B9R1.6 C1=CC=C(C=C1)S(=O)[O-] S131677 [1,0,0,0,1,0|2,0,0]=4 804 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116216 [1,0,0,0,1,0|2,0,0]=4 805 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116217 [1,0,0,0,1,0|2,0,0]=4 806 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116219 [1,0,0,0,1,0|2,0,0]=4 807 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116220 [1,0,0,0,1,0|2,0,0]=4 808 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116222 [1,0,0,0,1,0|2,0,0]=4 809 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N123719 [1,0,0,0,1,0|2,0,0]=4 810 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N346210 [1,0,0,0,1,0|2,0,0]=4 811 B9R1.6 C1=CC=C(C=C1)[P+](=O)O P160701 [1,0,0,0,1,0|2,0,0]=4 812 B9R1.6 C1=CC=C(C=C1)[Se](=O)O B152925 [1,0,0,0,1,0|2,0,0]=4 813 B9R1.6 C1=CC=NC(=C1)C(=O)Cl P133422 [1,0,0,0,1,0|2,0,0]=4 814 B9R1.6 C1=CC=NC(=C1)C(=O)N P138238 [1,0,0,0,1,0|2,0,0]=4 815 B9R1.6 C1=CC=NC(=C1)C(=O)O D118689 [1,0,0,0,1,0|2,0,0]=4 816 B9R1.6 C1=CC=NC(=C1)C(=O)O P101920 [1,0,0,0,1,0|2,0,0]=4 817 B9R1.6 C1=CC=NC(=C1)C(=O)O P160049 [1,0,0,0,1,0|2,0,0]=4 818 B9R1.6 C1=CC=NC(=C1)C(=O)[O-] C101910 [1,0,0,0,1,0|2,0,0]=4 819 B9R1.6 C1=CC=NC(=C1)C(=O)[O-] C421694 [1,0,0,0,1,0|2,0,0]=4 820 B9R1.6 C1=CN=CC=C1C(=O)Cl I107934 [1,0,0,0,1,0|2,0,0]=4 821 B9R1.6 C1=CN=CC=C1C(=O)N I106833 [1,0,0,0,1,0|2,0,0]=4 822 B9R1.6 C1=CN=CC=C1C(=O)O I101094 [1,0,0,0,1,0|2,0,0]=4 823 B9R1.6 C1=CN=CC=C1C(=O)O I424705 [1,0,0,0,1,0|2,0,0]=4 824 B9R1.6 C1=CN=CC=C1C(=O)[O-] S161415 [1,0,0,0,1,0|2,0,0]=4 825 B9R1.6 C=C(C1=CC=CC=C1)Br A189239 [1,0,0,0,1,0|1,0,0]=3 826 B9R1.6 CC(=C)C1=CC=CC=C1 M104900 [1,0,0,0,1,0|0,0,0]=2 827 B9R1.6 CC(=C)C1=CC=CC=C1 M104901 [1,0,0,0,1,0|0,0,0]=2 828 B9R1.6 CC(=C)C1=CC=CC=C1 P347730 [1,0,0,0,1,0|0,0,0]=2 829 B9R1.6 CC(=C)C1=CC=CC=C1 P491419 [1,0,0,0,1,0|0,0,0]=2 830 B9R1.6 CC(=O)C1=CC=CC=C1 A103666 [1,0,0,0,1,0|0,0,0]=2 831 B9R1.6 CC(=O)C1=CC=CC=C1 A103667 [1,0,0,0,1,0|0,0,0]=2 832 B9R1.6 CC(=O)C1=CC=CC=C1 A103669 [1,0,0,0,1,0|0,0,0]=2 833 B9R1.6 CC(=O)C1=CC=CC=C1 A427211 [1,0,0,0,1,0|0,0,0]=2 834 B9R1.6 CC(=O)C1=CC=CC=C1 A471960 [1,0,0,0,1,0|0,0,0]=2 835 B9R1.6 CC(=O)C1=CC=CC=C1 A474131 [1,0,0,0,1,0|0,0,0]=2 836 B9R1.6 CC(=O)C1=CC=CC=C1 A474138 [1,0,0,0,1,0|0,0,0]=2 837 B9R1.6 CC(=O)C1=CC=CC=N1 A106232 [1,0,0,0,1,0|1,0,0]=3 838 B9R1.6 CC(=O)C1=CC=CC=N1 A106233 [1,0,0,0,1,0|1,0,0]=3 839 B9R1.6 CC(=O)C1=CC=NC=C1 A102942 [1,0,0,0,1,0|1,0,0]=3 840 B9R1.6 CC(=O)C1=CN=CC=C1 A106235 [1,0,0,0,1,0|1,0,0]=3 841 B9R1.6 CC(=O)C1=CN=CC=C1 A106236 [1,0,0,0,1,0|1,0,0]=3 842 B9R1.6 CC(=O)C1=CN=CN=C1 P171742 [1,0,0,0,1,0|2,0,0]=4 843 B9R1.6 CC(=O)C1=CN=NC=C1 P176647 [1,0,0,0,1,0|2,0,0]=4 844 B9R1.6 CC(=O)C1=NC=CC=N1 P176709 [1,0,0,0,1,0|2,0,0]=4 845 B9R1.6 CC(=O)C1=NC=CN=C1 A100996 [1,0,0,0,1,0|2,0,0]=4 846 B9R1.6 CC(C)C1=CC=CC=C1 I101049 [1,0,0,0,1,0|0,0,2]=4 847 B9R1.6 CC(C)C1=CC=CC=C1 I101050 [1,0,0,0,1,0|0,0,2]=4 848 B9R1.6 CC(C)C1=CC=CC=C1 I101052 [1,0,0,0,1,0|0,0,2]=4 849 B9R1.6 CC(C1=CC=CC=C1)Br B104540 [1,0,0,0,1,0|1,0,1]=4 850 B9R1.6 CC(C1=CC=CC=C1)Cl C107586 [1,0,0,0,1,0|1,0,1]=4 851 B9R1.6 CC(C1=CC=CC=C1)N M105678 [1,0,0,0,1,0|1,0,1]=4 852 B9R1.6 CC(C1=CC=CC=C1)N M105679 [1,0,0,0,1,0|1,0,1]=4 853 B9R1.6 CC(C1=CC=CC=C1)N M106714 [1,0,0,0,1,0|1,0,1]=4 854 B9R1.6 CC(C1=CC=CC=C1)N M141280 [1,0,0,0,1,0|1,0,1]=4 855 B9R1.6 CC(C1=CC=CC=C1)N R432669 [1,0,0,0,1,0|1,0,1]=4 856 B9R1.6 CC(C1=CC=CC=C1)N R432670 [1,0,0,0,1,0|1,0,1]=4 857 B9R1.6 CC(C1=CC=CC=C1)N R432682 [1,0,0,0,1,0|1,0,1]=4 858 B9R1.6 CC(C1=CC=CC=C1)N S135224 [1,0,0,0,1,0|1,0,1]=4 859 B9R1.6 CC(C1=CC=CC=C1)N S432505 [1,0,0,0,1,0|1,0,1]=4 860 B9R1.6 CC(C1=CC=CC=C1)O P100878 [1,0,0,0,1,0|0,0,2]=4 861 B9R1.6 CC(C1=CC=CC=C1)O P103660 [1,0,0,0,1,0|0,0,2]=4 862 B9R1.6 CC(C1=CC=CC=C1)O P113820 [1,0,0,0,1,0|0,0,2]=4 863 B9R1.6 CC(C1=CC=CC=C1)O P165285 [1,0,0,0,1,0|0,0,2]=4 864 B9R1.6 CN(C)C1=CC=CC=C1 D100060 [1,0,0,0,1,0|1,0,1]=4 865 B9R1.6 CN(C)C1=CC=CC=C1 D100061 [1,0,0,0,1,0|1,0,1]=4 866 B9R1.6 CN(C)C1=CC=CC=C1 D100063 [1,0,0,0,1,0|1,0,1]=4 867 B9R1.6 CN(C1=CC=CC=C1)N M298692 [1,0,0,0,1,0|2,0,0]=4 868 B9R1.6 CP(C)C1=CC=CC=C1 C118698 [1,0,0,0,1,0|1,0,1]=4 869 B9R1.6 CP(C)C1=CC=CC=C1 D115603 [1,0,0,0,1,0|1,0,1]=4 870 B9R1.6 CS(=O)C1=CC=CC=C1 M158079 [1,0,0,0,1,0|1,0,0]=3 871 B9R1.6 CS(=O)C1=CC=CC=C1 M464276 [1,0,0,0,1,0|1,0,0]=3 872 B9R1.6 C[Si](=O)C1=CC=CC=C1 P331251 [1,0,0,0,1,0|0,1,0]=3 873 B9R1.6 C[Si](C)C1=CC=CC=C1 D111809 [1,0,0,0,1,0|0,1,1]=4 874 B9R1.6 NC(=O)C1=CC=CN=C1 N407906 [1,0,0,0,1,0|2,0,0]=4 875 B9R1.6 OC(=O)C1=CC=CN=C1 N407808 [1,0,0,0,1,0|2,0,0]=4