0 B11R1.40 C1=CC=C(C=C1)CC(=O)NN P160484 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 C1=CC=C(C=C1)CC(CO)N P100530 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.40 C1=CC=C(C=C1)CC(CO)N P109244 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.40 C1=CC=C(C=C1)CC(CO)N S160981 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.40 C1=CC=C(C=C1)NC(=O)NN P160543 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.40 C1=CC=[N+](C=C1)CC(=O)NN G156811 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 CC(=CC1=CC=CC=C1)C=O M102181 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.40 CC(=CC1=CC=CC=C1)C=O M302967 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.40 CC(=CC1=CC=CC=C1)CO M158501 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.40 CC(CO)OC1=CC=CC=C1 P160292 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.40 CCC(=O)CC1=CC=CC=C1 P160130 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.40 CCC(=O)NC1=CC=CC=C1 N136678 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.40 CCC(=O)OC1=CC=CC=C1 P304243 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.40 CCC(CC1=CC=CC=C1)N P344719 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.40 CCC(CC1=CC=CC=C1)O E352402 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.40 CNC(=O)OC1=CC=CC=C1 P587924 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.40 CNC(=S)NC1=CC=CC=C1 M158401 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.40 COC(=O)CC1=CC=CC=C1 M106997 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.40 COC(=O)CC1=CC=CC=N1 M131920 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.40 COC(=O)CC1=CC=NC=C1 M349198 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.40 COC(=O)NC1=CC=CC=C1 N189095 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.40 COC(=O)OC1=CC=CC=C1 M302459 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.17 C#CCCC1=CC=CC=C1 P160653 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.17 C#CCOC1=CC=CC=C1 P113824 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.17 C#CCSC1=CC=CC=C1 P101830 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.17 C1=CC=C(C=C1)CCC#N P160077 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.17 C1=CC=C(C=C1)CCC=O P109695 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.17 C1=CC=C(C=C1)CCCBr B106986 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.17 C1=CC=C(C=C1)CCCCl C122445 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.17 C1=CC=C(C=C1)CCCI I469194 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.17 C1=CC=C(C=C1)CCCN P109694 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.17 C1=CC=C(C=C1)CCCN P292870 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.17 C1=CC=C(C=C1)CCCO P103663 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.17 C1=CC=C(C=C1)CCNN P132003 [1,0,0,0,0,0|1,0,0]=2 34 B10R1.17 C1=CC=C(C=C1)CCNN P421872 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.17 C1=CC=C(C=C1)CN=C=O B133636 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.17 C1=CC=C(C=C1)CN=C=S B140288 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.17 C1=CC=C(C=C1)CN=C=S B425154 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.17 C1=CC=C(C=C1)CN=[N+]=[N-] B189174 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.17 C1=CC=C(C=C1)CNC=O N159287 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.17 C1=CC=C(C=C1)COC=O B152855 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.17 C1=CC=C(C=C1)COCCl B107578 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.17 C1=CC=C(C=C1)CSC#N B152183 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.17 C1=CC=C(C=C1)NCC#N P192616 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.17 C1=CC=C(C=C1)NCCN N159346 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.17 C1=CC=C(C=C1)NCCO N140440 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.17 C1=CC=C(C=C1)OCC#N P160111 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.17 C1=CC=C(C=C1)OCCBr B100876 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.17 C1=CC=C(C=C1)OCCCl B135225 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.17 C1=CC=C(C=C1)OCCN P132517 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.17 C1=CC=C(C=C1)OCCO E109367 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.17 C1=CC=C(C=C1)OCCO E109368 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.17 C1=CC=C(C=C1)OCCO E109369 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.17 C1=CC=C(C=C1)OCCO E109370 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.17 C1=CC=C(C=C1)OCCO P407596 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.17 C1=CC=C(C=C1)SCC#N P160109 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.17 C1=CC=C(C=C1)SCCBr B152504 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.17 C1=CC=C(C=C1)SCCCl C101832 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.17 C1=CC=C(C=C1)SCCO P101545 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.17 C1=CC=NC(=C1)CCCO P133143 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.17 C1=CN=CC=C1CCCN P192638 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.17 C1=CN=CC=C1CCCO P160633 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.17 C=CCCC1=CC=CC=C1 P160313 [1,0,0,0,0,0|1,0,1]=3 63 B10R1.17 C=CCNC1=CC=CC=C1 N159240 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.17 C=CCOC1=CC=CC=C1 A101096 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.17 C=CCSC1=CC=CC=C1 A140290 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.17 C=COCC1=CC=CC=C1 B178307 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.17 CCC#CC1=CC=CC=C1 P107031 [1,0,0,0,0,0|1,0,2]=4 68 B10R1.17 CCCCC1=CC=CC=C1 B100020 [1,0,0,0,0,0|1,0,0]=2 69 B10R1.17 CCCCC1=CC=CC=C1 B100021 [1,0,0,0,0,0|1,0,0]=2 70 B10R1.17 CCCCC1=CC=CC=C1 B128171 [1,0,0,0,0,0|1,0,0]=2 71 B10R1.17 CCCCC1=CN=CC=C1 B115782 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.17 CCCC[N+]1=CC=CC=C1 B101511 [1,0,0,0,0,0|2,0,0]=3 73 B10R1.17 CCCC[N+]1=CC=CC=C1 B102654 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.17 CCCC[N+]1=CC=CC=C1 B102663 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.17 CCCC[N+]1=CC=CC=C1 B120504 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.17 CCCOC1=CC=CC=C1 P405762 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.17 CCNCC1=CC=CC=C1 E113368 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.17 CCNCC1=CC=CC=N1 N170728 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.17 CCNCC1=CC=CC=N1 N598953 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.17 CCNCC1=CC=NC=C1 E124679 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.17 CCOCC1=CC=CC=C1 E193820 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.17 CNCCC1=CC=CC=C1 N159074 [1,0,0,0,0,0|0,0,0]=1 83 B10R1.17 CNCCC1=CC=CC=N1 B102783 [1,0,0,0,0,0|1,0,0]=2 84 B10R1.17 CNCCC1=CC=CC=N1 B152161 [1,0,0,0,0,0|1,0,0]=2 85 B10R1.17 CNCCC1=CC=CC=N1 B301305 [1,0,0,0,0,0|1,0,0]=2 86 B10R1.17 CNCCC1=CC=CC=N1 B424673 [1,0,0,0,0,0|1,0,0]=2 87 B10R1.17 CNCCC1=CC=CC=N1 M424771 [1,0,0,0,0,0|1,0,0]=2 88 B10R1.17 COCCC1=CC=CC=C1 P160567 [1,0,0,0,0,0|1,0,0]=2 89 B10R1.17 COCCC1=CC=CC=N1 M157981 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.17 COCSC1=CC=CC=C1 M158419 [1,0,0,0,0,0|2,0,0]=3 91 B10R1.18 C1=CC(=CN=C1)CC(=O)N P193047 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.18 C1=CC=C(C=C1)CC(=N)N P192301 [1,0,0,0,0,0|1,0,1]=3 93 B10R1.18 C1=CC=C(C=C1)CC(=O)Cl P109202 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.18 C1=CC=C(C=C1)CC(=O)N P160461 [1,0,0,0,0,0|1,0,1]=3 95 B10R1.18 C1=CC=C(C=C1)CC(=O)N P420433 [1,0,0,0,0,0|1,0,1]=3 96 B10R1.18 C1=CC=C(C=C1)CC(=O)O P346939 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.18 C1=CC=C(C=C1)CC(=S)N P160307 [1,0,0,0,0,0|1,0,1]=3 98 B10R1.18 C1=CC=C(C=C1)C[N+](=O)[O-] N171226 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.18 C1=CC=C(C=C1)N=C(N)N P131885 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.18 C1=CC=C(C=C1)NC(=O)N P105589 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.18 C1=CC=C(C=C1)NC(=S)N P110661 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.18 C1=CC=C(C=C1)OC(=O)N P300418 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.18 C1=CC=C(C=C1)OC(F)F D404170 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N C153758 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.18 CC(=CC1=CC=CC=C1)C M158507 [1,0,0,0,0,0|0,0,2]=3 106 B10R1.18 CC(=O)CC1=CC=NC=C1 P134516 [1,0,0,0,0,0|2,0,1]=4 107 B10R1.18 CC(=O)CC1=CN=CC=C1 A355123 [1,0,0,0,0,0|2,0,1]=4 108 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 A151480 [1,0,0,0,0,0|2,0,1]=4 109 B10R1.18 CC(=O)NC1=CC=CC=C1 A103954 [1,0,0,0,0,0|2,0,1]=4 110 B10R1.18 CC(=O)NC1=CC=CC=C1 A103955 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.18 CC(=O)NC1=CC=CC=C1 A103956 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.18 CC(=O)NC1=CC=CC=C1 A103957 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.18 CC(=O)NC1=CC=CC=C1 A119548 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.18 CC(=O)OC1=CC=CC=C1 P108579 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.18 CC(=O)OC1=CC=CC=C1 P342578 [1,0,0,0,0,0|2,0,1]=4 116 B10R1.18 CC(=O)SC1=CC=CC=C1 P101831 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.18 CC(=S)NC1=CC=CC=C1 T161816 [1,0,0,0,0,0|2,0,1]=4 118 B10R1.18 CC(C)CC1=CC=CC=C1 I108918 [1,0,0,0,0,0|0,0,0]=1 119 B10R1.18 CC(C)CC1=CC=CC=C1 I108919 [1,0,0,0,0,0|0,0,0]=1 120 B10R1.18 CC(C)CC1=CC=CC=C1 I108920 [1,0,0,0,0,0|0,0,0]=1 121 B10R1.18 CC(C)NC1=CC=CC=C1 I101922 [1,0,0,0,0,0|1,0,0]=2 122 B10R1.18 CC(C)NC1=CC=CC=C1 I101923 [1,0,0,0,0,0|1,0,0]=2 123 B10R1.18 CC(C)OC1=CC=CC=C1 I183364 [1,0,0,0,0,0|1,0,0]=2 124 B10R1.18 CC(C)OC1=CC=CC=N1 I191256 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.18 CC(CC1=CC=CC=C1)Br B168545 [1,0,0,0,0,0|1,0,0]=2 126 B10R1.18 CC(CC1=CC=CC=C1)O P160708 [1,0,0,0,0,0|1,0,0]=2 127 B10R1.18 CN(C)CC1=CC=CC=C1 D110949 [1,0,0,0,0,0|1,0,0]=2 128 B10R1.18 CN(C)CC1=CC=CC=C1 D110950 [1,0,0,0,0,0|1,0,0]=2 129 B10R1.18 CN(C)CC1=CC=CC=[C-]1 D129151 [1,0,0,0,0,0|1,0,1]=3 130 B10R1.18 CS(=O)CC1=CC=CC=C1 M334699 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.18 C[Si](C)CC1=CC=CC=C1 B305093 [1,0,0,0,0,0|0,1,0]=2 132 B12R1.32 CCOC(=O)CC1=CC=CC=C1 E103494 [0,1,0,0,0,0|2,0,1]=4 133 B12R1.32 CCOC(=O)CC1=CC=CC=C1 E103495 [0,1,0,0,0,0|2,0,1]=4 134 B12R1.32 CN(CC#C)CC1=CC=CC=C1 N159008 [0,1,0,0,0,0|2,0,1]=4 135 B12R1.32 CN(CC#C)CC1=CC=CC=C1 P105535 [0,1,0,0,0,0|2,0,1]=4 136 B12R1.32 CN(CC#C)CC1=CC=CC=C1 P423169 [0,1,0,0,0,0|2,0,1]=4 137 B12R1.32 CN(CCO)CC1=CC=CC=C1 M134243 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.34 C1=CC=C(C=C1)C(C(CO)N)O A115269 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.34 CC(C1=CC=CC=C1)C(=O)OC M588693 [0,1,0,0,0,0|2,0,1]=4 140 B12R1.34 CN(C(=O)C1=CC=CC=C1)OC M123463 [0,1,0,0,0,0|2,0,1]=4 141 B12R1.34 COC(=O)C(C1=CC=CC=C1)Br M158188 [0,1,0,0,0,0|2,0,1]=4 142 B12R1.34 COC(=O)C(C1=CC=CC=C1)N H191065 [0,1,0,0,0,0|2,0,1]=4 143 B12R1.34 COC(=O)C(C1=CC=CC=C1)N I132644 [0,1,0,0,0,0|2,0,1]=4 144 B12R1.34 COC(=O)C(C1=CC=CC=C1)N P106203 [0,1,0,0,0,0|2,0,1]=4 145 B12R1.34 COC(=O)C(C1=CC=CC=C1)N P106204 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.34 COC(=O)C(C1=CC=CC=C1)O M107081 [0,1,0,0,0,0|2,0,1]=4 147 B12R1.34 COC(=O)C(C1=CC=CC=C1)O M107988 [0,1,0,0,0,0|2,0,1]=4 148 B12R1.34 COC(=O)C(C1=CC=CC=C1)O M107989 [0,1,0,0,0,0|2,0,1]=4 149 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N H586335 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N P105974 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N S136991 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)Br B587562 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N D425386 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N L354493 [0,1,0,0,0,0|3,0,0]=4 155 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P103489 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P109094 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P110424 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P110425 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O D425723 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O P102441 [0,1,0,0,0,0|3,0,0]=4 161 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O P102443 [0,1,0,0,0,0|3,0,0]=4 162 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O P113801 [0,1,0,0,0,0|3,0,0]=4 163 B12R1.43 CC(C(=O)Cl)OC1=CC=CC=C1 P160289 [0,1,0,0,0,0|3,0,0]=4 164 B12R1.43 CC(C(=O)O)OC1=CC=CC=C1 P114961 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.43 CC(C)C(=O)CC1=CC=CC=C1 M158345 [0,1,0,0,0,0|2,0,1]=4 166 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O M165389 [0,1,0,0,0,0|2,0,0]=3 167 B12R1.43 CC(CC1=CC=CC=N1)C(=O)O M586148 [0,1,0,0,0,0|3,0,0]=4 168 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 N168191 [0,1,0,0,0,0|1,0,1]=3 169 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 F298761 [0,1,0,0,0,0|2,0,1]=4 170 B12R1.49 C1=CC(=CC=C1CC(CO)N)O T117152 [0,1,0,0,0,0|3,0,0]=4 171 B12R1.49 CC1=CC=C(C=C1)CC(=O)OC M158718 [0,1,0,0,0,0|2,0,1]=4 172 B12R1.49 CNC(=O)CC1=CC=C(C=C1)O N491195 [0,1,0,0,0,0|1,0,1]=3 173 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br M176451 [0,1,0,0,0,0|2,0,1]=4 174 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl M158186 [0,1,0,0,0,0|2,0,1]=4 175 B12R1.49 COC(=O)CC1=CC=C(C=C1)I M589746 [0,1,0,0,0,0|2,0,1]=4 176 B12R1.49 COC(=O)CC1=CC=C(C=C1)O M117442 [0,1,0,0,0,0|2,0,1]=4 177 B12R1.50 CC1=CC(=CC=C1)CC(=O)OC M573276 [0,1,0,0,0,0|2,0,1]=4 178 B12R1.50 CC1=CC(=CC=C1)OC(=O)NC T114834 [0,1,0,0,0,0|2,0,1]=4 179 B12R1.50 COC(=O)CC1=CC(=CC=C1)Br M158157 [0,1,0,0,0,0|2,0,1]=4 180 B12R1.50 COC(=O)CC1=CC(=CC=C1)F M158820 [0,1,0,0,0,0|2,0,1]=4 181 B12R1.50 COC(=O)CC1=CC(=CC=C1)N M184999 [0,1,0,0,0,0|2,0,1]=4 182 B12R1.50 COC(=O)CC1=CC(=CC=C1)O H184458 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.118 CCN(CC)CC1=CC=CC=C1 N159175 [0,1,0,0,0,0|2,0,0]=3 184 B12R1.118 COC(CC1=CC=CC=C1)OC P160799 [0,1,0,0,0,0|1,0,0]=2 185 B12R1.194 CCC(C)(CC1=CC=CC=C1)O M158684 [0,1,0,0,0,0|1,0,0]=2 186 B12R1.194 C[Si](C)(CC1=CC=CC=C1)CCl B357375 [0,1,0,0,0,0|2,1,0]=4 187 B12R1.371 CC1=CC=CC=C1CC(=O)OC M338418 [0,1,0,0,0,0|2,0,1]=4 188 B12R1.371 COC(=O)CC1=CC=CC=C1Br M185316 [0,1,0,0,0,0|2,0,1]=4 189 B12R1.371 COC(=O)CC1=CC=CC=C1Cl M158137 [0,1,0,0,0,0|2,0,1]=4 190 B12R1.371 COC(=O)CC1=CC=CC=C1O H182957 [0,1,0,0,0,0|2,0,1]=4 191 B12R2.18 C1C(C(C2=CC=CC=C21)N)O A115645 [0,0,0,1,0,0|3,0,0]=4 192 B12R2.18 C1C(C(C2=CC=CC=C21)N)O A117276 [0,0,0,1,0,0|3,0,0]=4 193 B12R2.18 C1C(C(C2=CC=CC=C21)N)O R160940 [0,0,0,1,0,0|3,0,0]=4 194 B12R2.18 C1C(C(C2=CC=CC=C21)N)O S161027 [0,0,0,1,0,0|3,0,0]=4 195 B12R2.18 C1C(C(C2=CC=CC=C21)O)Br B152972 [0,0,0,1,0,0|3,0,0]=4 196 B12R2.18 C1C(C(C2=CC=CC=C21)O)O D155713 [0,0,0,1,0,0|3,0,0]=4 197 B12R2.18 CC1=C(NC2=CC=CC=C12)C D103560 [0,0,0,1,0,0|2,0,1]=4 198 B12R2.18 CC1=CC2=CC=CC=C2N1C D103559 [0,0,0,1,0,0|0,0,2]=3 199 B12R2.18 CC1=NC2=CC=CC=C2N1C D155563 [0,0,0,1,0,0|1,0,1]=3 200 B12R2.18 CC1CC2=CC=CC=C2C1=O M587676 [0,0,0,1,0,0|2,0,0]=3 201 B12R2.18 CN1C(=O)CC2=CC=CC=C21 M115489 [0,0,0,1,0,0|1,0,1]=3 202 B12R2.18 CN1C2=CC=CC=C2N=C1Cl C182291 [0,0,0,1,0,0|2,0,1]=4 203 B12R2.18 CN1C2=CC=CC=C2N=C1N A167705 [0,0,0,1,0,0|2,0,1]=4 204 B12R2.18 CN1C2=CC=CC=C2SC1=S M168758 [0,0,0,1,0,0|2,0,1]=4 205 B12R2.24 C1C2=CC=CC=C2COC1=O I138843 [0,0,0,1,0,0|2,0,1]=4 206 B12R2.24 C1CC2=CC=CC=C2CC1=O T107488 [0,0,0,1,0,0|2,0,1]=4 207 B12R2.24 CC1CCC2=CC=CC=C2N1 T162315 [0,0,0,1,0,0|2,0,0]=3 208 B12R2.32 C1C(=NO)CC2=CC=CC=C21 I468135 [0,0,0,1,0,0|1,0,2]=4 209 B12R2.32 C1C(NC2=CC=CC=C21)CO I169211 [0,0,0,1,0,0|3,0,0]=4 210 B12R2.32 CNC1=NC2=CC=CC=C2N1 N191513 [0,0,0,1,0,0|2,0,1]=4 211 B10R1.15 C#CC(C1=CC=CC=C1)O P107039 [0,0,0,0,1,0|2,0,1]=4 212 B10R1.15 C1=CC=C(C=C1)C(=O)NN B104697 [0,0,0,0,1,0|2,0,1]=4 213 B10R1.15 C1=CC=C(C=C1)C(=O)NO B152659 [0,0,0,0,1,0|2,0,1]=4 214 B10R1.15 C1=CC=C(C=C1)C(=O)N[O-] S161112 [0,0,0,0,1,0|2,0,1]=4 215 B10R1.15 C1=CC=C(C=C1)C(C#N)N P170863 [0,0,0,0,1,0|3,0,0]=4 216 B10R1.15 C1=CC=C(C=C1)C(CBr)Br D304999 [0,0,0,0,1,0|3,0,0]=4 217 B10R1.15 C1=CC=C(C=C1)C(CBr)O B192257 [0,0,0,0,1,0|3,0,0]=4 218 B10R1.15 C1=CC=C(C=C1)C(CCl)O R304018 [0,0,0,0,1,0|3,0,0]=4 219 B10R1.15 C1=CC=C(C=C1)C(CCl)O S304439 [0,0,0,0,1,0|3,0,0]=4 220 B10R1.15 C1=CC=C(C=C1)C(CN)O A102440 [0,0,0,0,1,0|3,0,0]=4 221 B10R1.15 C1=CC=C(C=C1)C(CN)O A151123 [0,0,0,0,1,0|3,0,0]=4 222 B10R1.15 C1=CC=C(C=C1)C(CN)O R138565 [0,0,0,0,1,0|3,0,0]=4 223 B10R1.15 C1=CC=C(C=C1)C(CO)N P109343 [0,0,0,0,1,0|3,0,0]=4 224 B10R1.15 C1=CC=C(C=C1)C(CO)N P117139 [0,0,0,0,1,0|3,0,0]=4 225 B10R1.15 C1=CC=C(C=C1)C(CO)N P160161 [0,0,0,0,1,0|3,0,0]=4 226 B10R1.15 C1=CC=C(C=C1)C(CO)O P100518 [0,0,0,0,1,0|3,0,0]=4 227 B10R1.15 C1=CC=C(C=C1)C(CO)O P100519 [0,0,0,0,1,0|3,0,0]=4 228 B10R1.15 C1=CC=C(C=C1)C(CO)O P112689 [0,0,0,0,1,0|3,0,0]=4 229 B10R1.15 C=CC(C1=CC=CC=C1)Cl V303368 [0,0,0,0,1,0|2,0,1]=4 230 B10R1.15 C=CC(C1=CC=CC=C1)O V189138 [0,0,0,0,1,0|2,0,1]=4 231 B10R1.15 CC(=NO)C1=CC=CC=C1 A151383 [0,0,0,0,1,0|1,0,2]=4 232 B10R1.15 CC(=NO)C1=CC=CC=C1 A467913 [0,0,0,0,1,0|1,0,2]=4 233 B10R1.15 CC(C#N)C1=CC=CC=C1 M468313 [0,0,0,0,1,0|2,0,0]=3 234 B10R1.15 CC(C1=CC=CC=C1)NC I168221 [0,0,0,0,1,0|0,0,0]=1 235 B10R1.15 CC(C1=CC=CC=C1)NC I171118 [0,0,0,0,1,0|0,0,0]=1 236 B10R1.15 CC(C1=CC=CC=C1)NC I286935 [0,0,0,0,1,0|0,0,0]=1 237 B10R1.15 CC(C1=CC=CC=C1)[N+]#[C-] B300007 [0,0,0,0,1,0|0,0,2]=3 238 B10R1.15 CC(C=O)C1=CC=CC=C1 P160754 [0,0,0,0,1,0|2,0,0]=3 239 B10R1.15 CC(CN)C1=CC=CC=C1 P191947 [0,0,0,0,1,0|2,0,0]=3 240 B10R1.15 CC(CN)C1=CC=CC=C1 R160849 [0,0,0,0,1,0|2,0,0]=3 241 B10R1.15 CC(CO)C1=CC=CC=C1 P160710 [0,0,0,0,1,0|2,0,0]=3 242 B10R1.15 CC(CO)C1=CC=CC=C1 R489486 [0,0,0,0,1,0|2,0,0]=3 243 B10R1.15 CCC(=C)C1=CC=CC=C1 B302726 [0,0,0,0,1,0|1,0,2]=4 244 B10R1.15 CCC(C)C1=CC=CC=C1 B100253 [0,0,0,0,1,0|1,0,0]=2 245 B10R1.15 CCC(C)C1=CC=CC=C1 B100254 [0,0,0,0,1,0|1,0,0]=2 246 B10R1.15 CCC(C)C1=CC=CC=C1 B128164 [0,0,0,0,1,0|1,0,0]=2 247 B10R1.15 CCC(C1=CC=CC=C1)N E334013 [0,0,0,0,1,0|2,0,0]=3 248 B10R1.15 CCC(C1=CC=CC=C1)N R138647 [0,0,0,0,1,0|2,0,0]=3 249 B10R1.15 CCC(C1=CC=CC=C1)N R639496 [0,0,0,0,1,0|2,0,0]=3 250 B10R1.15 CCC(C1=CC=CC=C1)N S135110 [0,0,0,0,1,0|2,0,0]=3 251 B10R1.15 CCC(C1=CC=CC=C1)O P107008 [0,0,0,0,1,0|2,0,0]=3 252 B10R1.15 CCC(C1=CC=CC=C1)O R138307 [0,0,0,0,1,0|2,0,0]=3 253 B10R1.15 CCC(C1=CC=CC=C1)O S161360 [0,0,0,0,1,0|2,0,0]=3 254 B10R1.15 CCC(C1=CC=CC=N1)N P586083 [0,0,0,0,1,0|3,0,0]=4 255 B10R1.15 CCN(C)C1=CC=CC=C1 N589658 [0,0,0,0,1,0|2,0,0]=3 256 B10R1.15 CN(C1=CC=CC=C1)N=O N134509 [0,0,0,0,1,0|2,0,1]=4 257 B10R1.15 CN(C=O)C1=CC=CC=C1 M106700 [0,0,0,0,1,0|3,0,0]=4 258 B10R1.15 CNC(=O)C1=CC=CC=C1 N304144 [0,0,0,0,1,0|1,0,1]=3 259 B10R1.15 CNC(=O)C1=CN=CC=C1 N159805 [0,0,0,0,1,0|2,0,1]=4 260 B10R1.15 CNC(=O)C1=CN=CC=C1 N420708 [0,0,0,0,1,0|2,0,1]=4 261 B10R1.15 COC(=N)C1=CC=CC=C1 M158319 [0,0,0,0,1,0|2,0,1]=4 262 B10R1.15 COC(=O)C1=CC=CC=C1 M108588 [0,0,0,0,1,0|2,0,1]=4 263 B10R1.15 COC(=O)C1=CC=CC=C1 M108589 [0,0,0,0,1,0|2,0,1]=4 264 B10R1.15 COC(=O)C1=CC=CC=C1 M108590 [0,0,0,0,1,0|2,0,1]=4 265 B10R1.15 COC(=O)C1=CC=CC=C1 M108591 [0,0,0,0,1,0|2,0,1]=4 266 B10R1.15 COC(=O)C1=CC=CC=C1 M282394 [0,0,0,0,1,0|2,0,1]=4 267 B10R1.15 COS(=O)C1=CC=CC=C1 M158264 [0,0,0,0,1,0|3,0,0]=4 268 B10R1.15 C[C@H](CO)C1=CC=CC=C1 S489449 [0,0,0,0,1,0|2,0,0]=3 269 B10R1.15 C\C=C(\C)/C1=CC=CC=C1 C348081 [0,0,0,0,1,0|1,0,1]=3 270 B12R1.27 C1=CC=C(C=C1)COC(=O)NN B106008 [0,0,0,0,0,1|2,0,1]=4 271 B12R1.27 C1=CC=C(C=C1)COC(=O)NO N159551 [0,0,0,0,0,1|2,0,1]=4 272 B12R1.27 C1=CC=C(C=C1)OCC(CO)O P133480 [0,0,0,0,0,1|3,0,0]=4 273 B12R1.27 CC(CO)NCC1=CC=CC=C1 S589912 [0,0,0,0,0,1|2,0,0]=3 274 B12R1.27 CCC(=O)OCC1=CC=CC=C1 B151869 [0,0,0,0,0,1|2,0,1]=4 275 B12R1.27 COC(=O)CCC1=CC=CC=C1 M103601 [0,0,0,0,0,1|2,0,1]=4 276 B12R1.27 COC(=O)CCC1=CC=CC=C1 M140616 [0,0,0,0,0,1|2,0,1]=4 277 B12R1.27 COC(=O)COC1=CC=CC=C1 M138460 [0,0,0,0,0,1|2,0,1]=4 278 B12R1.27 COC(=O)CSC1=CC=CC=C1 M101824 [0,0,0,0,0,1|2,0,1]=4 279 B9R0.45 CCCCC=CC=CC=O N102611 [1,0,1,0,0,0|2,0,0]=4 280 B9R1.8 C1=CC(=CN=C1)CCN A151786 [2,0,0,0,0,0|1,0,0]=3 281 B9R1.8 C1=CC(=CN=C1)CCN A169450 [2,0,0,0,0,0|1,0,0]=3 282 B9R1.8 C1=CC=C(C=C1)C=NN B589372 [2,0,0,0,0,0|1,0,1]=4 283 B9R1.8 C1=CC=C(C=C1)CC=O P105078 [2,0,0,0,0,0|1,0,1]=4 284 B9R1.8 C1=CC=C(C=C1)CC=O P105080 [2,0,0,0,0,0|1,0,1]=4 285 B9R1.8 C1=CC=C(C=C1)CC=O P420978 [2,0,0,0,0,0|1,0,1]=4 286 B9R1.8 C1=CC=C(C=C1)CCBr B106895 [2,0,0,0,0,0|1,0,0]=3 287 B9R1.8 C1=CC=C(C=C1)CCCl C136679 [2,0,0,0,0,0|1,0,0]=3 288 B9R1.8 C1=CC=C(C=C1)CCI I138375 [2,0,0,0,0,0|1,0,0]=3 289 B9R1.8 C1=CC=C(C=C1)CCN P105641 [2,0,0,0,0,0|0,0,0]=2 290 B9R1.8 C1=CC=C(C=C1)CCN P160641 [2,0,0,0,0,0|0,0,0]=2 291 B9R1.8 C1=CC=C(C=C1)CCN P290339 [2,0,0,0,0,0|0,0,0]=2 292 B9R1.8 C1=CC=C(C=C1)CCN P408003 [2,0,0,0,0,0|0,0,0]=2 293 B9R1.8 C1=CC=C(C=C1)CCN P421867 [2,0,0,0,0,0|0,0,0]=2 294 B9R1.8 C1=CC=C(C=C1)CCN P425250 [2,0,0,0,0,0|0,0,0]=2 295 B9R1.8 C1=CC=C(C=C1)CCN P491880 [2,0,0,0,0,0|0,0,0]=2 296 B9R1.8 C1=CC=C(C=C1)CCN P493037 [2,0,0,0,0,0|0,0,0]=2 297 B9R1.8 C1=CC=C(C=C1)CCN P493125 [2,0,0,0,0,0|0,0,0]=2 298 B9R1.8 C1=CC=C(C=C1)CCO P108195 [2,0,0,0,0,0|1,0,0]=3 299 B9R1.8 C1=CC=C(C=C1)CCO P108197 [2,0,0,0,0,0|1,0,0]=3 300 B9R1.8 C1=CC=C(C=C1)CCO P424995 [2,0,0,0,0,0|1,0,0]=3 301 B9R1.8 C1=CC=C(C=C1)CCS P160530 [2,0,0,0,0,0|1,0,0]=3 302 B9R1.8 C1=CC=C(C=C1)CNN B122576 [2,0,0,0,0,0|1,0,0]=3 303 B9R1.8 C1=CC=C(C=C1)CNN B137990 [2,0,0,0,0,0|1,0,0]=3 304 B9R1.8 C1=CC=C(C=C1)CNN B464175 [2,0,0,0,0,0|1,0,0]=3 305 B9R1.8 C1=CC=C(C=C1)CNO I137166 [2,0,0,0,0,0|1,0,0]=3 306 B9R1.8 C1=CC=C(C=C1)CON O159948 [2,0,0,0,0,0|1,0,0]=3 307 B9R1.8 C1=CC=C(C=C1)CON O189173 [2,0,0,0,0,0|1,0,0]=3 308 B9R1.8 C1=CC=C(C=C1)SCCl C101827 [2,0,0,0,0,0|2,0,0]=4 309 B9R1.8 C1=CC=NC(=C1)CCBr B186289 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.8 C1=CC=NC(=C1)CCN A151790 [2,0,0,0,0,0|1,0,0]=3 311 B9R1.8 C1=CC=NC(=C1)CCO P160791 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.8 C1=CN=CC=C1CCN A109738 [2,0,0,0,0,0|1,0,0]=3 313 B9R1.8 C1=CN=CC=C1CCS P134707 [2,0,0,0,0,0|2,0,0]=4 314 B9R1.8 C1=CN=CC=C1CCS P478833 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.8 C=CCC1=CC=CC=C1 A101037 [2,0,0,0,0,0|0,0,2]=4 316 B9R1.8 CC#CC1=CC=CC=C1 P141240 [2,0,0,0,0,0|0,0,2]=4 317 B9R1.8 CC=CC1=CC=CC=C1 C153576 [2,0,0,0,0,0|0,0,2]=4 318 B9R1.8 CC=CC1=CC=CC=C1 M136687 [2,0,0,0,0,0|0,0,2]=4 319 B9R1.8 CC=CC1=CC=CC=C1 T134052 [2,0,0,0,0,0|0,0,2]=4 320 B9R1.8 CC=CC1=CC=CC=C1 T301941 [2,0,0,0,0,0|0,0,2]=4 321 B9R1.8 CCCC1=CC=CC=C1 P104621 [2,0,0,0,0,0|0,0,0]=2 322 B9R1.8 CCCC1=CC=CC=C1 P104624 [2,0,0,0,0,0|0,0,0]=2 323 B9R1.8 CCCC1=CC=CC=C1 P104625 [2,0,0,0,0,0|0,0,0]=2 324 B9R1.8 CCCC1=CC=CC=C1 P104626 [2,0,0,0,0,0|0,0,0]=2 325 B9R1.8 CCCC1=CC=CC=C1 P128158 [2,0,0,0,0,0|0,0,0]=2 326 B9R1.8 CCCC1=CC=CC=N1 P160637 [2,0,0,0,0,0|1,0,0]=3 327 B9R1.8 CCCC1=CC=NC=C1 P160632 [2,0,0,0,0,0|1,0,0]=3 328 B9R1.8 CCCC1=NC=CN=C1 P132679 [2,0,0,0,0,0|2,0,0]=4 329 B9R1.8 CCC[N+]1=CC=CC=C1 P404861 [2,0,0,0,0,0|1,0,0]=3 330 B9R1.8 CCNC1=CC=CC=C1 E103974 [2,0,0,0,0,0|1,0,0]=3 331 B9R1.8 CCOC1=CC=CC=C1 E108654 [2,0,0,0,0,0|1,0,0]=3 332 B9R1.8 CCOC1=CC=CC=C1 E108655 [2,0,0,0,0,0|1,0,0]=3 333 B9R1.8 CCOC1=CC=CC=N1 E137467 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.8 CCSC1=CC=CC=C1 E101809 [2,0,0,0,0,0|1,0,0]=3 335 B9R1.8 CNCC1=CC=CC=C1 B106919 [2,0,0,0,0,0|0,0,0]=2 336 B9R1.8 CNCC1=CC=CC=N1 M168526 [2,0,0,0,0,0|1,0,0]=3 337 B9R1.8 CNCC1=CN=CC=C1 M138441 [2,0,0,0,0,0|1,0,0]=3 338 B9R1.8 COCC1=CC=CC=C1 B103161 [2,0,0,0,0,0|1,0,0]=3 339 B9R1.8 COCC1=CC=CC=C1 B591251 [2,0,0,0,0,0|1,0,0]=3 340 B9R1.8 CSCC1=CC=CC=C1 B152510 [2,0,0,0,0,0|1,0,0]=3 341 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B153177 [2,0,0,0,0,0|0,0,2]=4 342 B11R1.1 C1=CC(=CC=C1CCCN)Cl C191754 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.1 C1=CC(=CC=C1CCCO)Br B135402 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.1 C1=CC(=CC=C1CCCO)Cl C405534 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.1 C1=CC(=CC=C1CCCO)O W132591 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.1 CCCCC1=CC=C(C=C1)Br B115516 [1,1,0,0,0,0|1,0,0]=3 347 B11R1.1 CCCCC1=CC=C(C=C1)Cl B167540 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.1 CCCCC1=CC=C(C=C1)I B124312 [1,1,0,0,0,0|1,0,0]=3 349 B11R1.1 CCCCC1=CC=C(C=C1)N B100731 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.1 CCCCC1=CC=C(C=C1)O B152848 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.1 CCCC[N+]1=CC=C(C=C1)C B120508 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.1 CCCC[N+]1=CC=C(C=C1)C B120511 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.1 CCCC[N+]1=CC=C(C=C1)C B120512 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.1 CCCC[N+]1=CC=C(C=C1)C B343853 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.1 CCCC[N+]1=CC=C(C=C1)C W196192 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.1 CCCOC1=CC=C(C=C1)Br B138795 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.1 CCCOC1=CC=C(C=C1)N P420032 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.1 CCCOC1=CC=C(C=C1)O P132532 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.1 CCOCC1=CC=C(C=C1)O E194029 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.1 COCCC1=CC=C(C=C1)O M136398 [1,1,0,0,0,0|1,0,0]=3 361 B11R1.16 C1=CC=C(C=C1)C(CCCl)O C123100 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.16 C1=CC=C(C=C1)C(CCCl)O C123101 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.16 C1=CC=C(C=C1)C(CCCl)O C153387 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.16 C1=CC=C(C=C1)C(CCO)N A101338 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.16 C1=CC=C(C=C1)C(CCO)N A101343 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.16 C1=CC=C(C=C1)C(CCO)N A101349 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.16 C=CCC(C1=CC=CC=C1)O P160315 [1,1,0,0,0,0|1,0,1]=4 368 B11R1.16 CC(CC=O)C1=CC=CC=C1 P468811 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.16 CC(CCO)C1=CC=CC=C1 P169190 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.16 CC(CCO)C1=CC=CC=C1 P638679 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.16 CC(CNC)C1=CC=CC=C1 P342591 [1,1,0,0,0,0|0,0,0]=2 372 B11R1.16 CCCC(=O)C1=CC=CC=C1 B100860 [1,1,0,0,0,0|1,0,1]=4 373 B11R1.16 CCCC(C1=CC=CC=C1)O P160157 [1,1,0,0,0,0|1,0,0]=3 374 B11R1.16 CCCC(C1=CC=CC=C1)O R468963 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.16 CCCC(C1=CC=CC=C1)O S468962 [1,1,0,0,0,0|1,0,0]=3 376 B11R1.16 CNCC(C1=CC=CC=C1)O M351446 [1,1,0,0,0,0|0,0,0]=2 377 B11R1.16 CNOC(=O)C1=CC=CC=C1 O159914 [1,1,0,0,0,0|1,0,1]=4 378 B11R1.16 COCC(C1=CC=CC=C1)N R185788 [1,1,0,0,0,0|1,0,0]=3 379 B11R1.17 C1=CC=C(C(=C1)CCC#N)Cl C194792 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.17 C1=CC=C(C(=C1)CCCO)Br B193732 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.17 CCCCC1=CC=CC=C1N B151822 [1,1,0,0,0,0|1,0,0]=3 382 B11R1.24 C1=CC(=CC(=C1)Cl)CCC=O C167090 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.24 C1=CC(=CC(=C1)F)CCCBr B587429 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.24 CCCC[N+]1=CC=CC(=C1)C B120506 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.24 CCCC[N+]1=CC=CC(=C1)C B120507 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.24 CCNCC1=CC(=CC=C1)F N187982 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.28 C#CCOCC1=CC=CC=C1 P589024 [1,1,0,0,0,0|1,0,1]=4 388 B11R1.28 C1=CC=C(C=C1)CCCCBr B140194 [1,1,0,0,0,0|1,0,0]=3 389 B11R1.28 C1=CC=C(C=C1)CCCCCl P404858 [1,1,0,0,0,0|1,0,0]=3 390 B11R1.28 C1=CC=C(C=C1)CCCCN B292880 [1,1,0,0,0,0|1,0,0]=3 391 B11R1.28 C1=CC=C(C=C1)CCCCN P160136 [1,1,0,0,0,0|1,0,0]=3 392 B11R1.28 C1=CC=C(C=C1)CCCCN P160137 [1,1,0,0,0,0|1,0,0]=3 393 B11R1.28 C1=CC=C(C=C1)CCCCN P493282 [1,1,0,0,0,0|1,0,0]=3 394 B11R1.28 C1=CC=C(C=C1)CCCCO P138687 [1,1,0,0,0,0|1,0,0]=3 395 B11R1.28 C1=CC=C(C=C1)CCN=C=O P160767 [1,1,0,0,0,0|0,0,2]=4 396 B11R1.28 C1=CC=C(C=C1)CCN=C=S P102544 [1,1,0,0,0,0|0,0,2]=4 397 B11R1.28 C1=CC=C(C=C1)CCNC=O I168819 [1,1,0,0,0,0|0,0,1]=3 398 B11R1.28 C1=CC=C(C=C1)CCOC=O F302132 [1,1,0,0,0,0|1,0,1]=4 399 B11R1.28 C1=CC=C(C=C1)CNCCN B124211 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.28 C1=CC=C(C=C1)CNCCO B111181 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.28 C1=CC=C(C=C1)COCC=O B136421 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.28 C1=CC=C(C=C1)COCCBr B107737 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.28 C1=CC=C(C=C1)COCCCl B132425 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.28 C1=CC=C(C=C1)COCCN B193115 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.28 C1=CC=C(C=C1)COCCO B111396 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.28 C1=CC=C(C=C1)CSCCO B140387 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.28 C1=CC=C(C=C1)NCCC#N A151772 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.28 C1=CC=C(C=C1)NCCCO A151778 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.28 C1=CC=C(C=C1)OCCCBr P160566 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.28 C1=CC=C(C=C1)OCCCN P353595 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.28 C1=CC=C(C=C1)OCCCO P160296 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.28 C1=CN=CC=C1CCCCO P193755 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.28 C=CCNCC1=CC=CC=C1 N158987 [1,1,0,0,0,0|1,0,1]=4 414 B11R1.28 C=CCOCC1=CC=CC=C1 A151095 [1,1,0,0,0,0|1,0,1]=4 415 B11R1.28 CCCC#CC1=CC=CC=C1 P404844 [1,1,0,0,0,0|1,0,1]=4 416 B11R1.28 CCCCCC1=CC=CC=C1 A151374 [1,1,0,0,0,0|1,0,0]=3 417 B11R1.28 CCCCCC1=CC=CC=N1 A132572 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.28 CCCCCC1=CC=NC=C1 A151146 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.28 CCCCNC1=CC=CC=C1 B140175 [1,1,0,0,0,0|1,0,0]=3 420 B11R1.28 CCCCNC1=CC=CC=C1 N590954 [1,1,0,0,0,0|1,0,0]=3 421 B11R1.28 CCCCOC1=CC=CC=C1 B153006 [1,1,0,0,0,0|1,0,0]=3 422 B11R1.28 CCCNCC1=CC=CC=C1 N191934 [1,1,0,0,0,0|1,0,0]=3 423 B11R1.28 CNCCOC1=CC=CC=C1 N169984 [1,1,0,0,0,0|0,0,0]=2 424 B11R1.28 OCCSCc1ccccc1 H109405 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.91 B(CCC1=CC=CC=C1)(O)O P119631 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl P101406 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.91 C1=CC=C(C=C1)CCC(=O)N P160460 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109276 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109277 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P424323 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.91 CC(=C)COC1=CC=CC=C1 M420042 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.91 CC(=O)CCC1=CC=CC=C1 P106914 [1,1,0,0,0,0|1,0,0]=3 433 B11R1.91 CC(=O)COC1=CC=CC=C1 P160134 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.91 CC(=O)NCC1=CC=CC=C1 N159297 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109251 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109253 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.91 CC(C)NCC1=CC=CC=C1 B100437 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.91 CC(CCC1=CC=CC=C1)N M168739 [1,1,0,0,0,0|1,0,0]=3 439 B11R1.91 CC(CCC1=CC=CC=C1)O I168710 [1,1,0,0,0,0|1,0,0]=3 440 B11R1.91 CC(CCC1=CC=CC=C1)O I170111 [1,1,0,0,0,0|1,0,0]=3 441 B11R1.91 CC(CCC1=CC=CC=C1)O P160159 [1,1,0,0,0,0|1,0,0]=3 442 B11R1.91 CC(COC1=CC=CC=C1)O B299831 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.91 CC(COC1=CC=CC=C1)O P135297 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.91 CN(C)CCC1=CC=CC=C1 N302096 [1,1,0,0,0,0|0,0,0]=2 445 B11R1.20 C1=CC(=CC=C1CC(=O)N)O H117443 [1,1,0,0,0,0|1,0,1]=4 446 B11R1.20 CC(=O)CC1=CC=C(C=C1)Br B133524 [1,1,0,0,0,0|1,0,1]=4 447 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl C136193 [1,1,0,0,0,0|1,0,1]=4 448 B11R1.20 CC(=O)CC1=CC=C(C=C1)F F123996 [1,1,0,0,0,0|1,0,1]=4 449 B11R1.20 CC(C)CC1=CC=C(C=C1)Br B163036 [1,1,0,0,0,0|0,0,0]=2 450 B11R1.20 CC(C)OC1=CC=C(C=C1)N I157723 [1,1,0,0,0,0|1,0,0]=3 451 B11R1.20 CC(C)OC1=NC=C(C=C1)Br B187286 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.20 CN(C)CC1=CC=C(C=C1)N A185751 [1,1,0,0,0,0|1,0,0]=3 453 B11R1.36 C1=CC=C(C=C1)C(C(=O)N)N D189180 [1,1,0,0,0,0|1,0,1]=4 454 B11R1.36 C1=CC=C(C=C1)C(C(=O)N)N S185796 [1,1,0,0,0,0|1,0,1]=4 455 B11R1.36 C1=CC=C(C=C1)C(C(=O)N)O M342074 [1,1,0,0,0,0|1,0,1]=4 456 B11R1.36 CC(C(=O)C1=CC=CC=C1)Cl C154066 [1,1,0,0,0,0|1,0,1]=4 457 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 I134082 [1,1,0,0,0,0|0,0,1]=3 458 B11R1.36 CC(C)C(=O)C1=CC=CC=N1 I185463 [1,1,0,0,0,0|1,0,1]=4 459 B11R1.36 CC(C1=CC=CC=C1)N(C)C R160852 [1,1,0,0,0,0|1,0,0]=3 460 B11R1.36 CC(C1=CC=CC=C1)N(C)C S161322 [1,1,0,0,0,0|1,0,0]=3 461 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 I134083 [1,1,0,0,0,0|1,0,1]=4 462 B11R1.86 C1=CC=C(C(=C1)CC(=O)N)Cl C483633 [1,1,0,0,0,0|1,0,1]=4 463 B11R1.86 CC(=O)CC1=CC=CC=C1Br B132331 [1,1,0,0,0,0|1,0,1]=4 464 B11R1.86 CC(=O)CC1=CC=CC=C1F W135424 [1,1,0,0,0,0|1,0,1]=4 465 B11R1.86 CC(C)OC1=C(C=CC=N1)I I186504 [1,1,0,0,0,0|2,0,0]=4 466 B11R1.86 CC(C)OC1=CC=CC=C1Br B135885 [1,1,0,0,0,0|1,0,0]=3 467 B11R1.86 CC(C)OC1=CC=CC=C1O I119954 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.86 CC1=NC=CN=C1CC(C)C I157645 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.86 CN(C)CC1=C(C=CC=N1)O D168639 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.86 CN(C)CC1=CC=CC=C1O D155339 [1,1,0,0,0,0|1,0,0]=3 471 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)N C194062 [1,1,0,0,0,0|1,0,1]=4 472 B11R1.157 CC(=O)CC1=CC(=CC=C1)Cl C154068 [1,1,0,0,0,0|1,0,1]=4 473 B11R1.157 CC(=O)CC1=CC(=CC=C1)F F191541 [1,1,0,0,0,0|1,0,1]=4 474 B11R1.157 CC(C)OC1=CC(=CC=C1)Br B152801 [1,1,0,0,0,0|1,0,0]=3 475 B11R1.157 CC(C)OC1=NC=CC(=C1)Br B491328 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.157 CN(C)CC1=CC(=CC=C1)Br B184742 [1,1,0,0,0,0|1,0,0]=3 477 B11R1.509 C1=CC=C(C=C1)CS(=O)(=O)N B152070 [1,1,0,0,0,0|2,0,0]=4 478 B11R1.509 CC(C)(C)OC1=CC=CC=C1 B304332 [1,1,0,0,0,0|1,0,0]=3 479 B11R1.509 CC(C)(C)OC1=CC=CC=N1 T195236 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.509 CC(C)(CC1=CC=CC=C1)O M113177 [1,1,0,0,0,0|0,0,0]=2 481 B11R1.509 CC(C)(CC1=CC=CC=C1)O M115321 [1,1,0,0,0,0|0,0,0]=2 482 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 B103720 [1,1,0,0,0,0|1,0,0]=3 483 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 B103732 [1,1,0,0,0,0|1,0,0]=3 484 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 B104501 [1,1,0,0,0,0|1,0,0]=3 485 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 B104502 [1,1,0,0,0,0|1,0,0]=3 486 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 B104503 [1,1,0,0,0,0|1,0,0]=3 487 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 B138050 [1,1,0,0,0,0|1,0,0]=3 488 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 B152297 [1,1,0,0,0,0|1,0,0]=3 489 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 B152299 [1,1,0,0,0,0|1,0,0]=3 490 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 N589160 [1,1,0,0,0,0|1,0,0]=3 491 B11R1.509 C[Si](C)(C)CC1=CC=CC=C1 B152734 [1,1,0,0,0,0|0,1,0]=3 492 B11R1.509 C[Si](C)(C)OC1=CC=CC=C1 T161841 [1,1,0,0,0,0|1,1,0]=4 493 B11R1.509 C[Si](C)(C)SC1=CC=CC=C1 P160298 [1,1,0,0,0,0|1,1,0]=4 494 B11R1.509 C[Si](C)(CC1=CC=CC=C1)Cl B152690 [1,1,0,0,0,0|0,1,0]=3 495 B11R1.7 CC(C#C)(C1=CC=CC=C1)O P111201 [0,1,0,0,1,0|1,0,1]=4 496 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 M404765 [0,1,0,0,1,0|2,0,0]=4 497 B11R1.7 CC(C)(C1=CC=CC=C1)OO C109598 [0,1,0,0,1,0|2,0,0]=4 498 B11R1.7 CC(C)(CCl)C1=CC=CC=C1 C107610 [0,1,0,0,1,0|2,0,0]=4 499 B11R1.7 CC(C)(CO)C1=CC=CC=C1 M294317 [0,1,0,0,1,0|2,0,0]=4 500 B11R1.7 CCC(C)(C)C1=CC=CC=C1 A102508 [0,1,0,0,1,0|1,0,0]=3 501 B11R1.7 CCC(C)(C1=CC=CC=C1)O P474236 [0,1,0,0,1,0|1,0,0]=3 502 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 N158939 [0,1,0,0,1,0|2,0,0]=4 503 B11R1.7 CO[Si](C)(C)C1=CC=CC=C1 M158465 [0,1,0,0,1,0|1,1,0]=4 504 B11R1.7 CO[Si](C)(C)C1=CC=CC=C1 S139118 [0,1,0,0,1,0|1,1,0]=4 505 B11R1.7 CO[Si](C)(C)C1=CC=CC=C1 S140418 [0,1,0,0,1,0|1,1,0]=4 506 B11R1.12 C1=CC=C(C=C1)C(CO)CO P160752 [0,1,0,0,1,0|2,0,0]=4 507 B11R1.12 CCC(C#N)C1=CC=CC=C1 P139257 [0,1,0,0,1,0|1,0,1]=4 508 B11R1.12 CCC(CC)C1=CC=CC=N1 P136764 [0,1,0,0,1,0|2,0,0]=4 509 B11R1.12 CCN(CC)C1=CC=CC=C1 D111034 [0,1,0,0,1,0|2,0,0]=4 510 B11R1.12 CCN(CC)C1=CC=CC=C1 D111035 [0,1,0,0,1,0|2,0,0]=4 511 B11R1.12 CCN(CC)C1=CC=CC=C1 N138157 [0,1,0,0,1,0|2,0,0]=4 512 B11R1.12 CCP(CC)C1=CC=CC=C1 D154321 [0,1,0,0,1,0|2,0,0]=4 513 B11R1.12 CCP(CC)C1=CC=CC=C1 D196395 [0,1,0,0,1,0|2,0,0]=4 514 B11R1.12 COC(C1=CC=CC=C1)OC B107016 [0,1,0,0,1,0|1,0,0]=3 515 B11R1.12 COC(CO)C1=CC=CC=C1 M351712 [0,1,0,0,1,0|1,0,0]=3 516 B11R1.12 COP(C1=CC=CC=C1)OC D189099 [0,1,0,0,1,0|2,0,0]=4 517 B11R1.22 CCC(C)C1=CC=C(C=C1)Br B136925 [0,1,0,0,1,0|1,0,0]=3 518 B11R1.22 CCC(C)C1=CC=C(C=C1)N S161429 [0,1,0,0,1,0|1,0,0]=3 519 B11R1.22 CCC(C)C1=CC=C(C=C1)O S161081 [0,1,0,0,1,0|1,0,0]=3 520 B11R1.22 CCC(C1=CC=C(C=C1)Cl)N C489594 [0,1,0,0,1,0|2,0,0]=4 521 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br N183369 [0,1,0,0,1,0|1,0,1]=4 522 B11R1.22 CNC(=O)C1=CC=C(C=C1)N A151421 [0,1,0,0,1,0|1,0,1]=4 523 B11R1.23 CNC(=O)C1=CC(=CC=C1)Br N184787 [0,1,0,0,1,0|1,0,1]=4 524 B11R1.23 CNC(=O)C1=CC(=CC=C1)N A483668 [0,1,0,0,1,0|1,0,1]=4 525 B11R1.222 CCC(C)C1=CC=CC=C1O S161080 [0,1,0,0,1,0|1,0,0]=3 526 B11R1.222 CNC(=O)C1=CC=CC=C1F F573628 [0,1,0,0,1,0|1,0,1]=4 527 B11R1.222 CNC(=O)C1=CC=CC=C1N A151423 [0,1,0,0,1,0|1,0,1]=4 528 B11R1.222 CNC(=O)C1=CC=CC=C1O H343180 [0,1,0,0,1,0|1,0,1]=4 529 B11R1.222 CNC(=O)C1=CC=CC=C1S M121843 [0,1,0,0,1,0|1,0,1]=4 530 B13R1.135 CN(C(=O)CC1=CC=CC=C1)OC N590831 [0,1,0,0,0,1|2,0,0]=4 531 B13R1.417 C1=CC=C(C=C1)COC(CO)CO B131985 [0,1,0,0,0,1|2,0,0]=4 532 B13R1.417 COC(COC1=CC=CC=C1)OC P349697 [0,1,0,0,0,1|1,0,0]=3 533 B13R1.348 CC(C)CC(CC1=CC=CC=C1)O M158741 [0,2,0,0,0,0|2,0,0]=4 534 B13R1.152 CC(C(=O)C)C(=O)C1=CC=CC=C1 M194487 [0,2,0,0,0,0|1,0,1]=4 535 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)Br B478794 [0,2,0,0,0,0|1,0,1]=4 536 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O D193980 [0,2,0,0,0,0|2,0,0]=4 537 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N M166002 [0,2,0,0,0,0|2,0,0]=4 538 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N P107874 [0,2,0,0,0,0|2,0,0]=4 539 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N P118306 [0,2,0,0,0,0|2,0,0]=4 540 B13R1.249 CNS(=O)(=O)CC1=CC=C(C=C1)N A165897 [0,2,0,0,0,0|2,0,0]=4 541 B13R1.250 CC1=CC(=CC=C1)CC(C)(C)CO D302122 [0,2,0,0,0,0|2,0,0]=4 542 B13R1.91 CC(CC1=CC=CC=C1OC)NC B301299 [0,2,0,0,0,0|0,0,0]=2 543 B13R1.91 CC(CC1=CC=CC=C1OC)NC M424748 [0,2,0,0,0,0|0,0,0]=2 544 B11R2.1 C1CC(=O)C2=CC=CC=C21 I106436 [1,0,0,1,0,0|2,0,0]=4 545 B11R2.1 C1CC(=O)C2=CC=CC=C21 I426156 [1,0,0,1,0,0|2,0,0]=4 546 B11R2.1 C1CC2=CC=CC=C2C1N A114505 [1,0,0,1,0,0|2,0,0]=4 547 B11R2.1 C1CC2=CC=CC=C2C1N D186125 [1,0,0,1,0,0|2,0,0]=4 548 B11R2.1 C1CC2=CC=CC=C2C1N S192732 [1,0,0,1,0,0|2,0,0]=4 549 B11R2.1 C1CC2=CC=CC=C2C1N S469445 [1,0,0,1,0,0|2,0,0]=4 550 B11R2.1 C1CC2=CC=CC=C2C1O H157335 [1,0,0,1,0,0|2,0,0]=4 551 B11R2.1 C1CC2=CC=CC=C2C1O H419517 [1,0,0,1,0,0|2,0,0]=4 552 B11R2.1 C1CC2=CC=CC=C2C1O H592262 [1,0,0,1,0,0|2,0,0]=4 553 B11R2.1 CC1CCC2=CC=CC=C12 M304586 [1,0,0,1,0,0|1,0,0]=3 554 B11R2.1 CC1CNC2=CC=CC=C12 M589123 [1,0,0,1,0,0|2,0,0]=4 555 B11R2.1 CN1C2=CC=CC=C2N=N1 M158121 [1,0,0,1,0,0|2,0,0]=4 556 B11R2.1 CN1C=CC2=CC=CC=C21 M108007 [1,0,0,1,0,0|0,0,2]=4 557 B11R2.1 CN1C=NC2=CC=CC=C21 M110306 [1,0,0,1,0,0|1,0,1]=4 558 B11R2.1 CN1C=NC2=CC=CC=C21 M399272 [1,0,0,1,0,0|1,0,1]=4 559 B11R2.4 C1C(C1N)C2=CC=CC=C2 R132818 [1,0,0,1,0,0|2,0,0]=4 560 B11R2.4 C1C(C1N)C2=CC=CC=C2 T275460 [1,0,0,1,0,0|2,0,0]=4 561 B11R2.4 C1C(C1N)C2=CC=CC=C2 T422413 [1,0,0,1,0,0|2,0,0]=4 562 B11R2.20 C1C=CCC2=CC=CC=C21 D155281 [1,0,0,1,0,0|1,0,1]=4 563 B11R2.20 C1CC2=CC=CC=C2C=C1 D155011 [1,0,0,1,0,0|1,0,1]=4 564 B11R2.20 C1CC2=CC=CC=C2NC1 T107484 [1,0,0,1,0,0|2,0,0]=4 565 B11R2.20 C1CCC2=C(C1)C=CC=N2 T108003 [1,0,0,1,0,0|2,0,0]=4 566 B11R2.20 C1CCC2=C(C1)C=CN=C2 T162590 [1,0,0,1,0,0|2,0,0]=4 567 B11R2.20 C1CCC2=CC=CC=C2C1 T100976 [1,0,0,1,0,0|1,0,0]=3 568 B11R2.20 C1CCC2=CC=CC=C2C1 T100978 [1,0,0,1,0,0|1,0,0]=3 569 B11R2.20 C1CCC2=CC=CC=C2C1 T100979 [1,0,0,1,0,0|1,0,0]=3 570 B11R2.20 C1CCC2=CC=CC=C2C1 T100981 [1,0,0,1,0,0|1,0,0]=3 571 B11R2.20 C1CCC2=CC=CC=C2C1 T119673 [1,0,0,1,0,0|1,0,0]=3 572 B11R2.20 C1CN=CC2=CC=CC=C21 D169557 [1,0,0,1,0,0|0,0,2]=4 573 B11R2.20 C1CNCC2=C1C=CC=N2 T176221 [1,0,0,1,0,0|1,0,0]=3 574 B11R2.20 C1CNCC2=CC=CC=C21 T139420 [1,0,0,1,0,0|0,0,0]=2 575 B11R2.20 C1COCC2=CC=CC=C21 I122961 [1,0,0,1,0,0|1,0,0]=3 576 B11R2.238 C1C(N1)CC2=CC=CC=C2 S304496 [1,0,0,1,0,0|0,0,0]=2 577 B11R2.238 C1C(O1)CC2=CC=CC=C2 E472459 [1,0,0,1,0,0|1,0,0]=3 578 B11R2.238 C1CC1SC2=CC=CC=C2 C101828 [1,0,0,1,0,0|2,0,0]=4 579 B11R2.10 C1C(=O)CC2=CC=CC=C21 I111208 [1,0,0,1,0,0|1,0,1]=4 580 B11R2.10 C1C(CC2=CC=CC=C21)O H157338 [1,0,0,1,0,0|1,0,0]=3 581 B11R2.10 C1C2=CC=CC=C2NC1=O O100775 [1,0,0,1,0,0|1,0,1]=4 582 B11R2.10 CC1=CC2=CC=CC=C2N1 M100903 [1,0,0,1,0,0|0,0,2]=4 583 B11R2.10 CC1=NC2=CC=CC=C2N1 M110232 [1,0,0,1,0,0|1,0,1]=4 584 B11R2.10 CC1CC2=CC=CC=C2N1 M103558 [1,0,0,1,0,0|0,0,0]=2 585 B11R2.10 CC1CC2=CC=CC=C2O1 D137493 [1,0,0,1,0,0|1,0,0]=3 586 B11R2.40 C1CC1(C2=CC=CC=C2)N P589058 [0,0,0,1,1,0|2,0,0]=4 587 B13R2.10 C1C(CNC1=O)C2=CC=CC=C2 P190023 [0,0,0,1,0,1|1,0,1]=4 588 B13R2.10 C1CN(CC1N)C2=CC=CC=C2 P587810 [0,0,0,1,0,1|2,0,0]=4 589 B13R2.10 CC1COC(O1)C2=CC=CC=C2 B117532 [0,0,0,1,0,1|2,0,0]=4 590 B13R2.10 CC1COC(O1)C2=CC=CC=C2 B140514 [0,0,0,1,0,1|2,0,0]=4 591 B13R2.32 CC1CCC2=CC=CC=C2C1=O M167630 [0,0,0,1,0,1|2,0,0]=4 592 B13R2.32 CN1C(=O)COC2=CC=CC=C21 M168648 [0,0,0,1,0,1|1,0,1]=4 593 B13R2.57 C1C(NCC2=CC=CC=C21)CO S101356 [0,0,0,1,0,1|2,0,0]=4 594 B13R2.2383 C1C(CN1)OCC2=CC=CC=C2 B195675 [0,0,0,1,0,1|2,0,0]=4 595 B13R2.31 C1C(CN1CC2=CC=CC=C2)O B185153 [0,1,0,1,0,0|2,0,0]=4 596 B13R2.64 C1CCN(C1)CC2=CC=CC=C2 B192606 [0,1,0,1,0,0|2,0,0]=4 597 B13R2.64 C1CN=C(N1)CC2=CC=CC=C2 B152364 [0,1,0,1,0,0|0,0,1]=3 598 B13R2.64 C1CN=C(N1)CC2=CC=CC=C2 T129920 [0,1,0,1,0,0|0,0,1]=3 599 B13R2.64 C1COC(O1)CC2=CC=CC=C2 B153143 [0,1,0,1,0,0|1,0,0]=3 600 B13R2.64 C1COCN1CC2=CC=CC=C2 B151820 [0,1,0,1,0,0|2,0,0]=4 601 B13R2.135 CCN1C(=CC2=CC=CC=C21)C E133332 [0,1,0,1,0,0|0,0,2]=4 602 B13R2.369 CC1C(NC2=CC=CC=C2N1)C D468692 [0,1,0,1,0,0|2,0,0]=4 603 B13R2.423 C1C(C1C(=O)O)C2=CC=CC=C2 T139465 [0,1,0,1,0,0|2,0,0]=4 604 B13R2.435 C1C(CC2=CC=CC=C21)C(=O)O I135596 [0,1,0,1,0,0|2,0,0]=4 605 B13R2.435 CC(=O)C1CC2=CC=CC=C2C1 I588783 [0,1,0,1,0,0|1,0,0]=3 606 B13R2.3028 CC1CC2=C(C1=O)C=C(C=C2)F F347878 [0,1,0,1,0,0|2,0,0]=4 607 B13R2.3683 CN1CCC2=C(C1)C=CC(=C2)Br B589613 [0,1,0,1,0,0|2,0,0]=4 608 B13R2.155 CN1CCC2=C(C1)C=C(C=C2)Br B588454 [0,1,0,1,0,0|2,0,0]=4 609 B13R2.4856 CN1C(=O)CC2=C1C(=CC=C2)Br B586121 [0,1,0,1,0,0|1,0,1]=4 610 B13R2.4825 CC1CC2=C(C1=O)C=CC=C2Br B151860 [0,1,0,1,0,0|2,0,0]=4 611 B9R1.12 CCCCC1=CC=CO1 B152372 [1,0,0,0,1,0|2,0,0]=4 612 B9R1.12 CCCCC1=CC=CS1 N189024 [1,0,0,0,1,0|2,0,0]=4 613 B9R1.12 CCCCC1=CSC=C1 B100752 [1,0,0,0,1,0|2,0,0]=4 614 B9R1.6 C1=CC=C(C=C1)C(=N)N B100938 [1,0,0,0,1,0|1,0,1]=4 615 B9R1.6 C1=CC=C(C=C1)C(=N)N B100967 [1,0,0,0,1,0|1,0,1]=4 616 B9R1.6 C1=CC=C(C=C1)C(=N)N B349126 [1,0,0,0,1,0|1,0,1]=4 617 B9R1.6 C1=CC=C(C=C1)C(=N)N B422069 [1,0,0,0,1,0|1,0,1]=4 618 B9R1.6 C1=CC=C(C=C1)C(=O)N B110551 [1,0,0,0,1,0|1,0,1]=4 619 B9R1.6 C1=CC=C(C=C1)C(=O)N B110552 [1,0,0,0,1,0|1,0,1]=4 620 B9R1.6 C1=CC=C(C=C1)C(=O)N B118608 [1,0,0,0,1,0|1,0,1]=4 621 B9R1.6 C1=CC=C(C=C1)C(=S)N T111125 [1,0,0,0,1,0|1,0,1]=4 622 B9R1.6 C1=CC=C(C=C1)C(Br)Br D300412 [1,0,0,0,1,0|2,0,0]=4 623 B9R1.6 C1=CC=C(C=C1)C(F)F D404169 [1,0,0,0,1,0|2,0,0]=4 624 B9R1.6 CC(=C)C1=CC=CC=C1 M104900 [1,0,0,0,1,0|0,0,2]=4 625 B9R1.6 CC(=C)C1=CC=CC=C1 M104901 [1,0,0,0,1,0|0,0,2]=4 626 B9R1.6 CC(=C)C1=CC=CC=C1 P347730 [1,0,0,0,1,0|0,0,2]=4 627 B9R1.6 CC(=C)C1=CC=CC=C1 P491419 [1,0,0,0,1,0|0,0,2]=4 628 B9R1.6 CC(=O)C1=CC=CC=C1 A103666 [1,0,0,0,1,0|1,0,1]=4 629 B9R1.6 CC(=O)C1=CC=CC=C1 A103667 [1,0,0,0,1,0|1,0,1]=4 630 B9R1.6 CC(=O)C1=CC=CC=C1 A103669 [1,0,0,0,1,0|1,0,1]=4 631 B9R1.6 CC(=O)C1=CC=CC=C1 A427211 [1,0,0,0,1,0|1,0,1]=4 632 B9R1.6 CC(=O)C1=CC=CC=C1 A471960 [1,0,0,0,1,0|1,0,1]=4 633 B9R1.6 CC(=O)C1=CC=CC=C1 A474131 [1,0,0,0,1,0|1,0,1]=4 634 B9R1.6 CC(=O)C1=CC=CC=C1 A474138 [1,0,0,0,1,0|1,0,1]=4 635 B9R1.6 CC(C)C1=CC=CC=C1 I101049 [1,0,0,0,1,0|0,0,0]=2 636 B9R1.6 CC(C)C1=CC=CC=C1 I101050 [1,0,0,0,1,0|0,0,0]=2 637 B9R1.6 CC(C)C1=CC=CC=C1 I101052 [1,0,0,0,1,0|0,0,0]=2 638 B9R1.6 CC(C)C1=CC=CC=N1 I177046 [1,0,0,0,1,0|1,0,0]=3 639 B9R1.6 CC(C)C1=CC=NC=C1 I136834 [1,0,0,0,1,0|1,0,0]=3 640 B9R1.6 CC(C1=CC=CC=C1)Br B104540 [1,0,0,0,1,0|1,0,0]=3 641 B9R1.6 CC(C1=CC=CC=C1)Cl C107586 [1,0,0,0,1,0|1,0,0]=3 642 B9R1.6 CC(C1=CC=CC=C1)N M105678 [1,0,0,0,1,0|0,0,0]=2 643 B9R1.6 CC(C1=CC=CC=C1)N M105679 [1,0,0,0,1,0|0,0,0]=2 644 B9R1.6 CC(C1=CC=CC=C1)N M106714 [1,0,0,0,1,0|0,0,0]=2 645 B9R1.6 CC(C1=CC=CC=C1)N M141280 [1,0,0,0,1,0|0,0,0]=2 646 B9R1.6 CC(C1=CC=CC=C1)N R432669 [1,0,0,0,1,0|0,0,0]=2 647 B9R1.6 CC(C1=CC=CC=C1)N R432670 [1,0,0,0,1,0|0,0,0]=2 648 B9R1.6 CC(C1=CC=CC=C1)N R432682 [1,0,0,0,1,0|0,0,0]=2 649 B9R1.6 CC(C1=CC=CC=C1)N S135224 [1,0,0,0,1,0|0,0,0]=2 650 B9R1.6 CC(C1=CC=CC=C1)N S432505 [1,0,0,0,1,0|0,0,0]=2 651 B9R1.6 CC(C1=CC=CC=C1)O P100878 [1,0,0,0,1,0|1,0,0]=3 652 B9R1.6 CC(C1=CC=CC=C1)O P103660 [1,0,0,0,1,0|1,0,0]=3 653 B9R1.6 CC(C1=CC=CC=C1)O P113820 [1,0,0,0,1,0|1,0,0]=3 654 B9R1.6 CC(C1=CC=CC=C1)O P165285 [1,0,0,0,1,0|1,0,0]=3 655 B9R1.6 CC(C1=CC=CC=N1)N P589080 [1,0,0,0,1,0|1,0,0]=3 656 B9R1.6 CC(C1=CC=CC=N1)O P191765 [1,0,0,0,1,0|2,0,0]=4 657 B9R1.6 CC(C1=CC=CC=N1)O R404547 [1,0,0,0,1,0|2,0,0]=4 658 B9R1.6 CC(C1=CC=CC=N1)O S161029 [1,0,0,0,1,0|2,0,0]=4 659 B9R1.6 CC(C1=CC=NC=C1)N A467309 [1,0,0,0,1,0|1,0,0]=3 660 B9R1.6 CC(C1=CC=NC=C1)O I170921 [1,0,0,0,1,0|2,0,0]=4 661 B9R1.6 CC(C1=CC=NC=C1)O R192493 [1,0,0,0,1,0|2,0,0]=4 662 B9R1.6 CC(C1=CN=CC=C1)N P193948 [1,0,0,0,1,0|1,0,0]=3 663 B9R1.6 CN(C)C1=CC=CC=C1 D100060 [1,0,0,0,1,0|1,0,0]=3 664 B9R1.6 CN(C)C1=CC=CC=C1 D100061 [1,0,0,0,1,0|1,0,0]=3 665 B9R1.6 CN(C)C1=CC=CC=C1 D100063 [1,0,0,0,1,0|1,0,0]=3 666 B9R1.6 CN(C)C1=CC=CC=N1 D154133 [1,0,0,0,1,0|2,0,0]=4 667 B9R1.6 CN(C)C1=CC=NC=C1 C405558 [1,0,0,0,1,0|2,0,0]=4 668 B9R1.6 CN(C)C1=CC=NC=C1 D109207 [1,0,0,0,1,0|2,0,0]=4 669 B9R1.6 CN(C)C1=CC=NC=C1 D155582 [1,0,0,0,1,0|2,0,0]=4 670 B9R1.6 CN(C1=CC=CC=C1)N M298692 [1,0,0,0,1,0|1,0,0]=3 671 B9R1.6 CP(C)C1=CC=CC=C1 C118698 [1,0,0,0,1,0|1,0,0]=3 672 B9R1.6 CP(C)C1=CC=CC=C1 D115603 [1,0,0,0,1,0|1,0,0]=3 673 B9R1.6 CS(=O)C1=CC=CC=C1 M158079 [1,0,0,0,1,0|2,0,0]=4 674 B9R1.6 CS(=O)C1=CC=CC=C1 M464276 [1,0,0,0,1,0|2,0,0]=4 675 B9R1.6 C[Si](=O)C1=CC=CC=C1 P331251 [1,0,0,0,1,0|1,1,0]=4 676 B9R1.6 C[Si](C)C1=CC=CC=C1 D111809 [1,0,0,0,1,0|0,1,0]=3 677 B9R1.6 C[Si](C)C1=CC=CC=N1 D331179 [1,0,0,0,1,0|1,1,0]=4 678 B9R1.13 CC(C)CC1=NC=CS1 I157522 [1,0,0,0,1,0|2,0,0]=4