0 B11R1.24 C1=CC(=CC(=C1)Cl)CCC=O C167090 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.24 C1=CC(=CC(=C1)F)CCCBr B587429 [0,0,0,0,0,0|2,1,0]=3 2 B11R1.24 CC1=CC(=CC=C1)CN=C=O M352458 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.24 CC1=CC(=CC=C1)OCC#N M420035 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.24 CC1=CC(=CC=C1)OCCO E156106 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.24 CCCC[N+]1=CC=CC(=C1)C B120506 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.24 CCCC[N+]1=CC=CC(=C1)C B120507 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.24 CCNCC1=CC(=CC=C1)F N187982 [0,0,0,0,0,0|2,1,0]=3 8 B10R1.10 C1=CC(=CC(=C1)Br)CC#N B122843 [1,0,0,0,0,0|0,1,2]=4 9 B10R1.10 C1=CC(=CC(=C1)Br)CCN B101708 [1,0,0,0,0,0|0,1,0]=2 10 B10R1.10 C1=CC(=CC(=C1)Br)CCO B102008 [1,0,0,0,0,0|1,1,0]=3 11 B10R1.10 C1=CC(=CC(=C1)Cl)CC#N C132151 [1,0,0,0,0,0|0,0,2]=3 12 B10R1.10 C1=CC(=CC(=C1)Cl)CCBr C167806 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.10 C1=CC(=CC(=C1)Cl)CCN C153963 [1,0,0,0,0,0|0,0,0]=1 14 B10R1.10 C1=CC(=CC(=C1)Cl)CCO C153312 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.10 C1=CC(=CC(=C1)Cl)N=C=O C107899 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.10 C1=CC(=CC(=C1)Cl)N=C=S C140586 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.10 C1=CC(=CC(=C1)F)CC#N F122867 [1,0,0,0,0,0|0,1,2]=4 18 B10R1.10 C1=CC(=CC(=C1)F)CCBr F135723 [1,0,0,0,0,0|1,1,0]=3 19 B10R1.10 C1=CC(=CC(=C1)F)CCN W133696 [1,0,0,0,0,0|0,1,0]=2 20 B10R1.10 C1=CC(=CC(=C1)F)CCO F156602 [1,0,0,0,0,0|1,1,0]=3 21 B10R1.10 C1=CC(=CC(=C1)I)CC#N I157675 [1,0,0,0,0,0|0,1,2]=4 22 B10R1.10 C1=CC(=CC(=C1)N)CCO A589356 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.10 C1=CC(=CC(=C1)O)CC#N M350354 [1,0,0,0,0,0|1,0,2]=4 24 B10R1.10 C1=CC(=CC(=C1)O)CCO H167016 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.10 CC1=CC(=CC=C1)CC#N M158779 [1,0,0,0,0,0|1,0,2]=4 26 B10R1.10 CC1=CC(=CC=C1)CC=C A169645 [1,0,0,0,0,0|1,0,2]=4 27 B10R1.10 CC1=CC(=CC=C1)CCBr M332837 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.10 CC1=CC(=CC=C1)CCCl C193160 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.10 CC1=CC(=CC=C1)CCN M170979 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.10 CC1=CC(=CC=C1)CCO M157912 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.10 CC1=CC(=CC=C1)CNC M158625 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.10 CCCC1=CC=CC(=C1)C P160391 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.10 CCNC1=CC=CC(=C1)C E140164 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.10 CCNC1=NC(=NC=C1)Cl C195400 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.10 CCOC1=CC(=CC=C1)Br B136517 [1,0,0,0,0,0|1,1,0]=3 36 B10R1.10 CCOC1=CC(=CC=C1)S E101783 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.10 CCOC1=CC(=CN=C1)Br B152240 [1,0,0,0,0,0|2,1,0]=4 38 B10R1.10 CCOC1=CC(=NC=C1)N A589357 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.10 CCOC1=CC=CC(=C1)N E101872 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.10 CCOC1=CC=CC(=C1)O E156223 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.10 CCOC1=NC(=CC=C1)Cl C154060 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.10 CCOC1=NC=CC(=C1)N A187936 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.10 CCSC1=CC(=CC=C1)Br B168061 [1,0,0,0,0,0|1,1,0]=3 44 B10R1.10 CNCC1=CC(=CC=C1)Br B121859 [1,0,0,0,0,0|0,1,0]=2 45 B10R1.10 CNCC1=CC(=CC=C1)Br B140813 [1,0,0,0,0,0|0,1,0]=2 46 B10R1.10 CNCC1=CC(=CC=C1)Cl C170092 [1,0,0,0,0,0|0,0,0]=1 47 B10R1.10 CNCC1=CC(=CC=C1)F F156708 [1,0,0,0,0,0|0,1,0]=2 48 B10R1.10 CNCC1=CC(=CC=C1)N A151692 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.17 C#CCCC1=CC=CC=C1 P160653 [1,0,0,0,0,0|1,0,1]=3 50 B10R1.17 C#CCOC1=CC=CC=C1 P113824 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.17 C#CCSC1=CC=CC=C1 P101830 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.17 C1=CC=C(C=C1)CCC#N P160077 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.17 C1=CC=C(C=C1)CCC=O P109695 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.17 C1=CC=C(C=C1)CCCBr B106986 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.17 C1=CC=C(C=C1)CCCCl C122445 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.17 C1=CC=C(C=C1)CCCI I469194 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.17 C1=CC=C(C=C1)CCCN P109694 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.17 C1=CC=C(C=C1)CCCN P292870 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.17 C1=CC=C(C=C1)CCCO P103663 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.17 C1=CC=C(C=C1)CCNN P132003 [1,0,0,0,0,0|1,0,0]=2 61 B10R1.17 C1=CC=C(C=C1)CCNN P421872 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.17 C1=CC=C(C=C1)CN=C=O B133636 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.17 C1=CC=C(C=C1)CN=C=S B140288 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.17 C1=CC=C(C=C1)CN=C=S B425154 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.17 C1=CC=C(C=C1)CN=[N+]=[N-] B189174 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.17 C1=CC=C(C=C1)CNC=O N159287 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.17 C1=CC=C(C=C1)COC=O B152855 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.17 C1=CC=C(C=C1)COCCl B107578 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.17 C1=CC=C(C=C1)CSC#N B152183 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.17 C1=CC=C(C=C1)NCC#N P192616 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.17 C1=CC=C(C=C1)NCCN N159346 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.17 C1=CC=C(C=C1)NCCO N140440 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.17 C1=CC=C(C=C1)OCC#N P160111 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.17 C1=CC=C(C=C1)OCCBr B100876 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.17 C1=CC=C(C=C1)OCCCl B135225 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.17 C1=CC=C(C=C1)OCCN P132517 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.17 C1=CC=C(C=C1)OCCO E109367 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.17 C1=CC=C(C=C1)OCCO E109368 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.17 C1=CC=C(C=C1)OCCO E109369 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.17 C1=CC=C(C=C1)OCCO E109370 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.17 C1=CC=C(C=C1)OCCO P407596 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.17 C1=CC=C(C=C1)SCC#N P160109 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.17 C1=CC=C(C=C1)SCCBr B152504 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.17 C1=CC=C(C=C1)SCCCl C101832 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.17 C1=CC=C(C=C1)SCCO P101545 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.17 C1=CC=NC(=C1)CCCO P133143 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.17 C1=CN=CC=C1CCCN P192638 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.17 C1=CN=CC=C1CCCO P160633 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.17 C=CCCC1=CC=CC=C1 P160313 [1,0,0,0,0,0|1,0,1]=3 90 B10R1.17 C=CCNC1=CC=CC=C1 N159240 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.17 C=CCOC1=CC=CC=C1 A101096 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.17 C=CCSC1=CC=CC=C1 A140290 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.17 C=COCC1=CC=CC=C1 B178307 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.17 CCC#CC1=CC=CC=C1 P107031 [1,0,0,0,0,0|1,0,2]=4 95 B10R1.17 CCCCC1=CC=CC=C1 B100020 [1,0,0,0,0,0|1,0,0]=2 96 B10R1.17 CCCCC1=CC=CC=C1 B100021 [1,0,0,0,0,0|1,0,0]=2 97 B10R1.17 CCCCC1=CC=CC=C1 B128171 [1,0,0,0,0,0|1,0,0]=2 98 B10R1.17 CCCCC1=CN=CC=C1 B115782 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.17 CCCC[N+]1=CC=CC=C1 B101511 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.17 CCCC[N+]1=CC=CC=C1 B102654 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.17 CCCC[N+]1=CC=CC=C1 B102663 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.17 CCCC[N+]1=CC=CC=C1 B120504 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.17 CCCOC1=CC=CC=C1 P405762 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.17 CCNCC1=CC=CC=C1 E113368 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.17 CCNCC1=CC=CC=N1 N170728 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.17 CCNCC1=CC=CC=N1 N598953 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.17 CCNCC1=CC=NC=C1 E124679 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.17 CCOCC1=CC=CC=C1 E193820 [1,0,0,0,0,0|2,0,0]=3 109 B10R1.17 CNCCC1=CC=CC=C1 N159074 [1,0,0,0,0,0|0,0,0]=1 110 B10R1.17 CNCCC1=CC=CC=N1 B102783 [1,0,0,0,0,0|1,0,0]=2 111 B10R1.17 CNCCC1=CC=CC=N1 B152161 [1,0,0,0,0,0|1,0,0]=2 112 B10R1.17 CNCCC1=CC=CC=N1 B301305 [1,0,0,0,0,0|1,0,0]=2 113 B10R1.17 CNCCC1=CC=CC=N1 B424673 [1,0,0,0,0,0|1,0,0]=2 114 B10R1.17 CNCCC1=CC=CC=N1 M424771 [1,0,0,0,0,0|1,0,0]=2 115 B10R1.17 COCCC1=CC=CC=C1 P160567 [1,0,0,0,0,0|1,0,0]=2 116 B10R1.17 COCCC1=CC=CC=N1 M157981 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.17 COCSC1=CC=CC=C1 M158419 [1,0,0,0,0,0|2,0,0]=3 118 B12R1.17 C1=CC(=CC(=C1)Cl)C(=O)CC#N C153914 [0,1,0,0,0,0|2,0,1]=4 119 B12R1.17 C1=CC(=CC(=C1)Cl)C(CCO)N A194578 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.17 CCOC(=O)C1=CC(=CC=C1)Cl E156206 [0,1,0,0,0,0|2,0,1]=4 121 B12R1.17 CNCC(C1=CC(=CC=C1)O)O P106007 [0,1,0,0,0,0|1,0,0]=2 122 B12R1.17 CNCC(C1=CC(=CC=C1)O)O S161304 [0,1,0,0,0,0|1,0,0]=2 123 B12R1.17 CNCC(O)C1=CC(=CC=C1)O P408457 [0,1,0,0,0,0|1,0,0]=2 124 B12R1.28 CCCCCC1=CC=CC(=O)O1 P134904 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.28 CCCCOC1=CC=CC(=C1)O B152843 [0,1,0,0,0,0|2,0,0]=3 126 B12R1.50 CC1=CC(=CC=C1)CC(=O)OC M573276 [0,1,0,0,0,0|2,0,1]=4 127 B12R1.50 CC1=CC(=CC=C1)OC(=O)NC T114834 [0,1,0,0,0,0|2,0,1]=4 128 B12R1.50 COC(=O)CC1=CC(=CC=C1)Br M158157 [0,1,0,0,0,0|1,1,1]=4 129 B12R1.50 COC(=O)CC1=CC(=CC=C1)F M158820 [0,1,0,0,0,0|1,1,1]=4 130 B12R1.50 COC(=O)CC1=CC(=CC=C1)N M184999 [0,1,0,0,0,0|2,0,1]=4 131 B12R1.50 COC(=O)CC1=CC(=CC=C1)O H184458 [0,1,0,0,0,0|2,0,1]=4 132 B12R1.226 C1=CC(=CC(=C1)Br)CCC(=O)O W135520 [0,1,0,0,0,0|2,1,0]=4 133 B12R1.226 C1=CC(=CC(=C1)Cl)CCC(=O)O C132834 [0,1,0,0,0,0|2,0,0]=3 134 B12R1.226 C1=CC(=CC(=C1)Cl)OCC(=O)O C185405 [0,1,0,0,0,0|3,0,0]=4 135 B12R1.226 C1=CC(=CC(=C1)F)CCC(=O)O F138869 [0,1,0,0,0,0|2,1,0]=4 136 B12R1.226 C1=CC(=CC(=C1)N)CCC(=O)O A191401 [0,1,0,0,0,0|3,0,0]=4 137 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O H194243 [0,1,0,0,0,0|3,0,0]=4 138 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O H425147 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O M470031 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.382 COC1=CC=CC(=C1)CCCN M168141 [0,1,0,0,0,0|3,0,0]=4 141 B12R2.24 C1CC2=C(C=C(C=C2)Br)NC1 B172150 [0,0,0,1,0,0|2,1,0]=4 142 B12R2.24 C1CC2=C(C=C(C=C2)Br)NC1 B180020 [0,0,0,1,0,0|2,1,0]=4 143 B12R2.24 C1CC2=C(C=C(C=C2)O)NC1 H185355 [0,0,0,1,0,0|3,0,0]=4 144 B12R2.24 C1CC2=C(C=CC(=C2)Br)NC1 B192132 [0,0,0,1,0,0|2,1,0]=4 145 B12R2.24 C1CC2=C(C=CC(=C2)Br)NC1 B586250 [0,0,0,1,0,0|2,1,0]=4 146 B12R2.24 C1CC2=C(C=CC(=C2)Br)OC1 B184223 [0,0,0,1,0,0|2,1,0]=4 147 B12R2.24 C1CC2=C(C=CC(=C2)F)NC1 F194112 [0,0,0,1,0,0|2,1,0]=4 148 B12R2.24 C1CC2=C(C=CC(=C2)O)NC1 H192815 [0,0,0,1,0,0|3,0,0]=4 149 B12R2.24 C1CCC2=C(C1)C=CC(=C2)N W133739 [0,0,0,1,0,0|2,0,0]=3 150 B12R2.24 C1CCC2=C(C1)C=CC(=C2)O T162495 [0,0,0,1,0,0|2,0,0]=3 151 B12R2.24 C1CNCC2=C1C=C(C=C2)Br B175814 [0,0,0,1,0,0|0,1,0]=2 152 B12R2.24 C1CNCC2=C1C=C(C=C2)Cl C345518 [0,0,0,1,0,0|0,0,0]=1 153 B12R2.24 C1CNCC2=C1C=C(C=C2)Cl C588766 [0,0,0,1,0,0|0,0,0]=1 154 B12R2.24 C1CNCC2=C1C=C(C=C2)F F345517 [0,0,0,1,0,0|0,1,0]=2 155 B12R2.24 C1CNCC2=C1C=C(C=C2)O H157390 [0,0,0,1,0,0|1,0,0]=2 156 B12R2.24 C1CNCC2=C1C=CC(=C2)Br B175763 [0,0,0,1,0,0|2,1,0]=4 157 B12R2.24 C1CNCC2=C1C=CC(=C2)Cl C186797 [0,0,0,1,0,0|2,0,0]=3 158 B12R2.24 C1CNCC2=C1N=C(C=C2)Cl C186502 [0,0,0,1,0,0|1,0,0]=2 159 B12R2.24 C1CNCC2=CN=C(N=C21)N A167595 [0,0,0,1,0,0|3,0,0]=4 160 B12R2.24 C1COC2=C(N1)C=CC(=C2)Cl C179547 [0,0,0,1,0,0|3,0,0]=4 161 B12R2.24 CC1=CC2=C(C=C1)NCCC2 M158123 [0,0,0,1,0,0|3,0,0]=4 162 B12R2.24 CC1=CC2=C(CCNC2)C=C1 M168479 [0,0,0,1,0,0|3,0,0]=4 163 B12R2.203 C1CC(=O)C2=C1C=CC=C2Br B345896 [0,0,0,1,0,0|2,1,0]=4 164 B12R2.203 C1CC(=O)C2=C1C=CC=C2Cl C183916 [0,0,0,1,0,0|2,0,0]=3 165 B12R2.203 C1CC(=O)C2=C1C=CC=C2F F185819 [0,0,0,1,0,0|2,1,0]=4 166 B12R2.203 C1CC(=O)C2=C1C=CC=C2O H139193 [0,0,0,1,0,0|3,0,0]=4 167 B12R2.203 CN1C=CC2=C1C(=CC=C2)Br B342890 [0,0,0,1,0,0|0,1,2]=4 168 B12R2.612 C1C2=C(C=CC(=C2)Cl)C(=O)N1 C194866 [0,0,0,1,0,0|3,0,0]=4 169 B12R2.612 C1C2=C(C=CC(=C2)Cl)C(=O)O1 C185101 [0,0,0,1,0,0|3,0,0]=4 170 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)Br B103113 [0,0,0,1,0,0|2,1,0]=4 171 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)Cl C107757 [0,0,0,1,0,0|2,0,0]=3 172 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F F123321 [0,0,0,1,0,0|2,1,0]=4 173 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)I I342342 [0,0,0,1,0,0|2,1,0]=4 174 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)O H103118 [0,0,0,1,0,0|3,0,0]=4 175 B12R2.612 C1CC2=C(C1N)C=CC(=C2)Cl C489567 [0,0,0,1,0,0|2,0,0]=3 176 B12R2.612 C1CC2=C(C1N)C=CC(=C2)Cl R489596 [0,0,0,1,0,0|2,0,0]=3 177 B12R2.612 C1CC2=C(C1N)C=CC(=C2)Cl S489584 [0,0,0,1,0,0|2,0,0]=3 178 B12R2.612 C1CC2=C(C1O)C=CC(=C2)Br B588810 [0,0,0,1,0,0|2,1,0]=4 179 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 M123329 [0,0,0,1,0,0|3,0,0]=4 180 B12R2.612 CN1C2=C(C=C(C=C2)Br)C=N1 B176539 [0,0,0,1,0,0|1,1,1]=4 181 B12R2.612 CN1C=CC2=C1C=CC(=C2)Br B165377 [0,0,0,1,0,0|0,1,2]=4 182 B12R2.612 CN1C=CC2=C1C=CC(=C2)N A178842 [0,0,0,1,0,0|1,0,2]=4 183 B12R2.612 CN1C=NC2=C1C=CC(=C2)Br B176714 [0,0,0,1,0,0|1,1,1]=4 184 B12R2.612 CN1C=NC2=C1C=CC(=C2)O M184845 [0,0,0,1,0,0|2,0,1]=4 185 B12R2.612 CN1CCC2=C1C=CC(=C2)Br B344088 [0,0,0,1,0,0|0,1,0]=2 186 B12R2.1081 C1CC2=C(C(=CC=C2)O)NC1 T194472 [0,0,0,1,0,0|3,0,0]=4 187 B12R2.1081 C1CC2=C(C=CC=C2Br)NC1 B172149 [0,0,0,1,0,0|2,1,0]=4 188 B12R2.1081 C1CCC2=C(C1)C=CC=C2N T103086 [0,0,0,1,0,0|2,0,0]=3 189 B12R2.1081 C1CCC2=C(C1)C=CC=C2O T162494 [0,0,0,1,0,0|2,0,0]=3 190 B12R2.1081 C1CNCC2=C1C(=CC=C2)Br B178246 [0,0,0,1,0,0|2,1,0]=4 191 B12R2.1081 C1CNCC2=C1C(=CC=C2)Br B195156 [0,0,0,1,0,0|2,1,0]=4 192 B12R2.1081 C1CNCC2=C1C=CC=C2Br B179747 [0,0,0,1,0,0|0,1,0]=2 193 B12R2.1081 C1CNCC2=C1C=CC=C2Br B194913 [0,0,0,1,0,0|0,1,0]=2 194 B10R1.29 CCCCC1=C(SC=C1)Br B152941 [0,0,0,0,1,0|2,1,0]=4 195 B9R0.45 CCCCC=CC=CC=O N102611 [1,0,1,0,0,0|2,0,0]=4 196 B9R1.2 C#CC1=CC(=CC=C1)Cl C110226 [2,0,0,0,0,0|0,0,2]=4 197 B9R1.2 C1=C(C=NC=C1Cl)CCl C177606 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.2 C1=C(C=NC=C1Cl)CO C168770 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.2 C1=CC(=CC(=C1)Br)CBr B135903 [2,0,0,0,0,0|1,1,0]=4 200 B9R1.2 C1=CC(=CC(=C1)Br)CCl B139457 [2,0,0,0,0,0|1,1,0]=4 201 B9R1.2 C1=CC(=CC(=C1)Br)CN B131936 [2,0,0,0,0,0|0,1,0]=3 202 B9R1.2 C1=CC(=CC(=C1)Br)CN B136310 [2,0,0,0,0,0|0,1,0]=3 203 B9R1.2 C1=CC(=CC(=C1)Br)CO B103188 [2,0,0,0,0,0|1,1,0]=4 204 B9R1.2 C1=CC(=CC(=C1)Br)NN B101715 [2,0,0,0,0,0|1,1,0]=4 205 B9R1.2 C1=CC(=CC(=C1)Cl)C#N C137691 [2,0,0,0,0,0|0,0,2]=4 206 B9R1.2 C1=CC(=CC(=C1)Cl)C=O C154036 [2,0,0,0,0,0|1,0,1]=4 207 B9R1.2 C1=CC(=CC(=C1)Cl)CBr C106489 [2,0,0,0,0,0|1,0,0]=3 208 B9R1.2 C1=CC(=CC(=C1)Cl)CCl C189170 [2,0,0,0,0,0|1,0,0]=3 209 B9R1.2 C1=CC(=CC(=C1)Cl)CN C135515 [2,0,0,0,0,0|0,0,0]=2 210 B9R1.2 C1=CC(=CC(=C1)Cl)CO C106488 [2,0,0,0,0,0|1,0,0]=3 211 B9R1.2 C1=CC(=CC(=C1)Cl)NN C110270 [2,0,0,0,0,0|1,0,0]=3 212 B9R1.2 C1=CC(=CC(=C1)F)CBr F107112 [2,0,0,0,0,0|1,1,0]=4 213 B9R1.2 C1=CC(=CC(=C1)F)CCl F123352 [2,0,0,0,0,0|1,1,0]=4 214 B9R1.2 C1=CC(=CC(=C1)F)CN F107964 [2,0,0,0,0,0|0,1,0]=3 215 B9R1.2 C1=CC(=CC(=C1)F)CO F156601 [2,0,0,0,0,0|1,1,0]=4 216 B9R1.2 C1=CC(=CC(=C1)F)NN F102558 [2,0,0,0,0,0|1,1,0]=4 217 B9R1.2 C1=CC(=CC(=C1)I)CBr I133459 [2,0,0,0,0,0|1,1,0]=4 218 B9R1.2 C1=CC(=CC(=C1)I)CN I113819 [2,0,0,0,0,0|0,1,0]=3 219 B9R1.2 C1=CC(=CC(=C1)I)CN I468184 [2,0,0,0,0,0|0,1,0]=3 220 B9R1.2 C1=CC(=CC(=C1)I)CO I157442 [2,0,0,0,0,0|1,1,0]=4 221 B9R1.2 C1=CC(=CC(=C1)N)CN A151635 [2,0,0,0,0,0|1,0,0]=3 222 B9R1.2 C1=CC(=CC(=C1)N)CO A151125 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.2 C1=CC(=CC(=C1)O)CN H407384 [2,0,0,0,0,0|1,0,0]=3 224 B9R1.2 C1=CC(=CC(=C1)O)CO H137304 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.2 C1=CC(=CC(=C1)O)CO H501150 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.2 C1=CC(=NC(=C1)Br)CN B191781 [2,0,0,0,0,0|1,1,0]=4 227 B9R1.2 C1=CC(=NC(=C1)Br)CN B195815 [2,0,0,0,0,0|1,1,0]=4 228 B9R1.2 C1=CC(=NC(=C1)Cl)CO C183811 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.2 C1=CC(=NC(=C1)Cl)NN C153939 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.2 C1=CN=C(C=C1Br)CN B177735 [2,0,0,0,0,0|1,1,0]=4 231 B9R1.2 C1=CN=C(C=C1CCl)Cl C171686 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.2 C1=CN=C(C=C1CO)Cl C124765 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.2 C1=CN=C(C=C1Cl)CCl C189999 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.2 C1=CN=C(C=C1Cl)CN C175147 [2,0,0,0,0,0|1,0,0]=3 235 B9R1.2 C=CC1=CC(=CC=C1)Cl C121720 [2,0,0,0,0,0|0,0,2]=4 236 B9R1.2 C=CC1=CC(=CC=C1)Cl C140515 [2,0,0,0,0,0|0,0,2]=4 237 B9R1.2 CC1=CC(=CC=C1)CBr B405679 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.2 CC1=CC(=CC=C1)CCl M101677 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.2 CC1=CC(=CC=C1)CN M158668 [2,0,0,0,0,0|1,0,0]=3 240 B9R1.2 CC1=CC(=CC=C1)CO M157904 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.2 CC1=CC(=CC=C1)CS M588442 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.2 CC1=CC(=CC=C1)NC M107962 [2,0,0,0,0,0|1,0,0]=3 243 B9R1.2 CC1=CC(=CC=C1)NN T101274 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.2 CC1=CC(=CC=C1)OC M158111 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.2 CC1=CC(=CC=C1)SC M351262 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.2 CC1=CC(=NC=C1)CN M586928 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.2 CC1=CC(=NC=C1)CN M588861 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.2 CC1=NC(=CC=C1)CN M194459 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.2 CCC1=CC(=CC=C1)Br B101889 [2,0,0,0,0,0|0,1,0]=3 250 B9R1.2 CCC1=CC(=CC=C1)Cl C589677 [2,0,0,0,0,0|0,0,0]=2 251 B9R1.2 CCC1=CC(=CC=C1)I E587883 [2,0,0,0,0,0|0,1,0]=3 252 B9R1.2 CCC1=CC(=CC=C1)N E101873 [2,0,0,0,0,0|1,0,0]=3 253 B9R1.2 CCC1=CC(=CC=C1)O E156226 [2,0,0,0,0,0|1,0,0]=3 254 B9R1.2 CCC1=CC(=NC=C1)N A123353 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.2 CCC1=CC=CC(=C1)C E113367 [2,0,0,0,0,0|1,0,0]=3 256 B9R1.2 CC[N+]1=CC=CC(=C1)C E121235 [2,0,0,0,0,0|2,0,0]=4 257 B9R1.2 CC[N+]1=CC=CC(=C1)O E472644 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.2 CNC1=CC(=CC=C1)Br B194483 [2,0,0,0,0,0|0,1,0]=3 259 B9R1.2 CNC1=CC(=CC=C1)Cl C153906 [2,0,0,0,0,0|0,0,0]=2 260 B9R1.2 CNC1=CC(=CC=C1)F F168315 [2,0,0,0,0,0|0,1,0]=3 261 B9R1.2 CNC1=CC(=CC=C1)O M587311 [2,0,0,0,0,0|1,0,0]=3 262 B9R1.2 CNC1=CC(=NC=C1)F F587425 [2,0,0,0,0,0|1,1,0]=4 263 B9R1.2 CNC1=CC(=NC=N1)Cl C194437 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.2 CNC1=NC(=CC=C1)Cl C195623 [2,0,0,0,0,0|1,0,0]=3 265 B9R1.2 COC1=CC(=CC=C1)Br B100846 [2,0,0,0,0,0|1,1,0]=4 266 B9R1.2 COC1=CC(=CC=C1)Cl C106486 [2,0,0,0,0,0|1,0,0]=3 267 B9R1.2 COC1=CC(=CC=C1)F F120587 [2,0,0,0,0,0|1,1,0]=4 268 B9R1.2 COC1=CC(=CC=C1)I I123674 [2,0,0,0,0,0|1,1,0]=4 269 B9R1.2 COC1=CC(=CC=C1)S M101779 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.2 COC1=CC(=CN=C1)Cl C479903 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.2 COC1=CC(=NC=C1)Cl C119393 [2,0,0,0,0,0|2,0,0]=4 272 B9R1.2 COC1=CC=CC(=C1)N A107482 [2,0,0,0,0,0|2,0,0]=4 273 B9R1.2 COC1=CC=CC(=C1)O M109432 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.2 COC1=CC=CC(=C1)[CH2-] M300737 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.2 COC1=NC(=CC=C1)Cl C115751 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.2 COC1=NC=CC(=C1)Cl C186239 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.2 CSC1=CC(=CC=C1)Br B101842 [2,0,0,0,0,0|1,1,0]=4 278 B9R1.2 CSC1=CC(=CC=C1)Cl C101839 [2,0,0,0,0,0|1,0,0]=3 279 B9R1.2 CSC1=CC=CC(=C1)F F156685 [2,0,0,0,0,0|1,1,0]=4 280 B9R1.2 CSC1=CC=CC(=C1)N M101834 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.8 C1=CC(=CN=C1)CCN A151786 [2,0,0,0,0,0|1,0,0]=3 282 B9R1.8 C1=CC(=CN=C1)CCN A169450 [2,0,0,0,0,0|1,0,0]=3 283 B9R1.8 C1=CC=C(C=C1)C=NN B589372 [2,0,0,0,0,0|1,0,1]=4 284 B9R1.8 C1=CC=C(C=C1)CC=O P105078 [2,0,0,0,0,0|1,0,1]=4 285 B9R1.8 C1=CC=C(C=C1)CC=O P105080 [2,0,0,0,0,0|1,0,1]=4 286 B9R1.8 C1=CC=C(C=C1)CC=O P420978 [2,0,0,0,0,0|1,0,1]=4 287 B9R1.8 C1=CC=C(C=C1)CCBr B106895 [2,0,0,0,0,0|1,0,0]=3 288 B9R1.8 C1=CC=C(C=C1)CCCl C136679 [2,0,0,0,0,0|1,0,0]=3 289 B9R1.8 C1=CC=C(C=C1)CCI I138375 [2,0,0,0,0,0|1,0,0]=3 290 B9R1.8 C1=CC=C(C=C1)CCN P105641 [2,0,0,0,0,0|0,0,0]=2 291 B9R1.8 C1=CC=C(C=C1)CCN P160641 [2,0,0,0,0,0|0,0,0]=2 292 B9R1.8 C1=CC=C(C=C1)CCN P290339 [2,0,0,0,0,0|0,0,0]=2 293 B9R1.8 C1=CC=C(C=C1)CCN P408003 [2,0,0,0,0,0|0,0,0]=2 294 B9R1.8 C1=CC=C(C=C1)CCN P421867 [2,0,0,0,0,0|0,0,0]=2 295 B9R1.8 C1=CC=C(C=C1)CCN P425250 [2,0,0,0,0,0|0,0,0]=2 296 B9R1.8 C1=CC=C(C=C1)CCN P491880 [2,0,0,0,0,0|0,0,0]=2 297 B9R1.8 C1=CC=C(C=C1)CCN P493037 [2,0,0,0,0,0|0,0,0]=2 298 B9R1.8 C1=CC=C(C=C1)CCN P493125 [2,0,0,0,0,0|0,0,0]=2 299 B9R1.8 C1=CC=C(C=C1)CCO P108195 [2,0,0,0,0,0|1,0,0]=3 300 B9R1.8 C1=CC=C(C=C1)CCO P108197 [2,0,0,0,0,0|1,0,0]=3 301 B9R1.8 C1=CC=C(C=C1)CCO P424995 [2,0,0,0,0,0|1,0,0]=3 302 B9R1.8 C1=CC=C(C=C1)CCS P160530 [2,0,0,0,0,0|1,0,0]=3 303 B9R1.8 C1=CC=C(C=C1)CNN B122576 [2,0,0,0,0,0|1,0,0]=3 304 B9R1.8 C1=CC=C(C=C1)CNN B137990 [2,0,0,0,0,0|1,0,0]=3 305 B9R1.8 C1=CC=C(C=C1)CNN B464175 [2,0,0,0,0,0|1,0,0]=3 306 B9R1.8 C1=CC=C(C=C1)CNO I137166 [2,0,0,0,0,0|1,0,0]=3 307 B9R1.8 C1=CC=C(C=C1)CON O159948 [2,0,0,0,0,0|1,0,0]=3 308 B9R1.8 C1=CC=C(C=C1)CON O189173 [2,0,0,0,0,0|1,0,0]=3 309 B9R1.8 C1=CC=C(C=C1)SCCl C101827 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.8 C1=CC=NC(=C1)CCBr B186289 [2,0,0,0,0,0|2,0,0]=4 311 B9R1.8 C1=CC=NC(=C1)CCN A151790 [2,0,0,0,0,0|1,0,0]=3 312 B9R1.8 C1=CC=NC(=C1)CCO P160791 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.8 C1=CN=CC=C1CCN A109738 [2,0,0,0,0,0|1,0,0]=3 314 B9R1.8 C1=CN=CC=C1CCS P134707 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.8 C1=CN=CC=C1CCS P478833 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.8 C=CCC1=CC=CC=C1 A101037 [2,0,0,0,0,0|0,0,2]=4 317 B9R1.8 CC#CC1=CC=CC=C1 P141240 [2,0,0,0,0,0|0,0,2]=4 318 B9R1.8 CC=CC1=CC=CC=C1 C153576 [2,0,0,0,0,0|0,0,2]=4 319 B9R1.8 CC=CC1=CC=CC=C1 M136687 [2,0,0,0,0,0|0,0,2]=4 320 B9R1.8 CC=CC1=CC=CC=C1 T134052 [2,0,0,0,0,0|0,0,2]=4 321 B9R1.8 CC=CC1=CC=CC=C1 T301941 [2,0,0,0,0,0|0,0,2]=4 322 B9R1.8 CCCC1=CC=CC=C1 P104621 [2,0,0,0,0,0|0,0,0]=2 323 B9R1.8 CCCC1=CC=CC=C1 P104624 [2,0,0,0,0,0|0,0,0]=2 324 B9R1.8 CCCC1=CC=CC=C1 P104625 [2,0,0,0,0,0|0,0,0]=2 325 B9R1.8 CCCC1=CC=CC=C1 P104626 [2,0,0,0,0,0|0,0,0]=2 326 B9R1.8 CCCC1=CC=CC=C1 P128158 [2,0,0,0,0,0|0,0,0]=2 327 B9R1.8 CCCC1=CC=CC=N1 P160637 [2,0,0,0,0,0|1,0,0]=3 328 B9R1.8 CCCC1=CC=NC=C1 P160632 [2,0,0,0,0,0|1,0,0]=3 329 B9R1.8 CCCC1=NC=CN=C1 P132679 [2,0,0,0,0,0|2,0,0]=4 330 B9R1.8 CCC[N+]1=CC=CC=C1 P404861 [2,0,0,0,0,0|1,0,0]=3 331 B9R1.8 CCNC1=CC=CC=C1 E103974 [2,0,0,0,0,0|1,0,0]=3 332 B9R1.8 CCOC1=CC=CC=C1 E108654 [2,0,0,0,0,0|1,0,0]=3 333 B9R1.8 CCOC1=CC=CC=C1 E108655 [2,0,0,0,0,0|1,0,0]=3 334 B9R1.8 CCOC1=CC=CC=N1 E137467 [2,0,0,0,0,0|2,0,0]=4 335 B9R1.8 CCSC1=CC=CC=C1 E101809 [2,0,0,0,0,0|1,0,0]=3 336 B9R1.8 CNCC1=CC=CC=C1 B106919 [2,0,0,0,0,0|0,0,0]=2 337 B9R1.8 CNCC1=CC=CC=N1 M168526 [2,0,0,0,0,0|1,0,0]=3 338 B9R1.8 CNCC1=CN=CC=C1 M138441 [2,0,0,0,0,0|1,0,0]=3 339 B9R1.8 COCC1=CC=CC=C1 B103161 [2,0,0,0,0,0|1,0,0]=3 340 B9R1.8 COCC1=CC=CC=C1 B591251 [2,0,0,0,0,0|1,0,0]=3 341 B9R1.8 CSCC1=CC=CC=C1 B152510 [2,0,0,0,0,0|1,0,0]=3 342 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B153177 [2,0,0,0,0,0|0,0,2]=4 343 B11R1.13 C1=CC(=C(C(=C1)Cl)Cl)CC#N D121059 [1,1,0,0,0,0|0,0,2]=4 344 B11R1.13 C1=CC(=C(C(=C1)Cl)F)CC#N C192393 [1,1,0,0,0,0|0,0,2]=4 345 B11R1.13 CCOC1=C(C(=CC=C1)F)F D124108 [1,1,0,0,0,0|1,1,0]=4 346 B11R1.23 C1=CC(=CC(=C1)Br)C(CO)N A587851 [1,1,0,0,0,0|1,1,0]=4 347 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CBr B134157 [1,1,0,0,0,0|1,0,1]=4 348 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)NN C132279 [1,1,0,0,0,0|1,0,1]=4 349 B11R1.23 C1=CC(=CC(=C1)O)C(CN)O R133855 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.23 CCC(=O)C1=CC(=CC=C1)Br B138434 [1,1,0,0,0,0|0,1,1]=4 351 B11R1.23 CCC(=O)C1=CC(=CC=C1)Cl C136265 [1,1,0,0,0,0|0,0,1]=3 352 B11R1.23 CCC(=O)C1=CC(=CC=C1)F F138865 [1,1,0,0,0,0|0,1,1]=4 353 B11R1.23 CCC(=O)C1=CC(=CC=C1)O H190518 [1,1,0,0,0,0|1,0,1]=4 354 B11R1.23 CNC(=O)C1=CC(=CC=C1)Br N184787 [1,1,0,0,0,0|0,1,1]=4 355 B11R1.23 CNC(=O)C1=CC(=CC=C1)N A483668 [1,1,0,0,0,0|1,0,1]=4 356 B11R1.23 CNC(=O)C1=CC(=NC=C1)Cl C478665 [1,1,0,0,0,0|1,0,1]=4 357 B11R1.23 CNC(=O)C1=NC=CC(=C1)Cl C124049 [1,1,0,0,0,0|1,0,1]=4 358 B11R1.23 COC(=O)C1=CC(=CC=C1)Cl M192560 [1,1,0,0,0,0|1,0,1]=4 359 B11R1.34 C1=C(C=C(C=C1Cl)Cl)CC#N D170787 [1,1,0,0,0,0|0,0,2]=4 360 B11R1.34 C1=C(C=C(C=C1F)Cl)CC#N C122855 [1,1,0,0,0,0|0,0,2]=4 361 B11R1.34 CCCC1=CC(=CC(=C1)F)F D155056 [1,1,0,0,0,0|0,1,0]=3 362 B11R1.34 CCNC1=CC(=CC(=C1)C)C E299469 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)N C194062 [1,1,0,0,0,0|0,0,1]=3 364 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O C106487 [1,1,0,0,0,0|1,0,1]=4 365 B11R1.157 C1=CC(=CC(=C1)Cl)NC(=S)N C153742 [1,1,0,0,0,0|1,0,1]=4 366 B11R1.157 CC(=O)CC1=CC(=CC=C1)Cl C154068 [1,1,0,0,0,0|0,0,1]=3 367 B11R1.157 CC(=O)CC1=CC(=CC=C1)F F191541 [1,1,0,0,0,0|0,1,1]=4 368 B11R1.157 CC(=O)NC1=CC(=CC=C1)Cl C153718 [1,1,0,0,0,0|1,0,1]=4 369 B11R1.157 CC(C)OC1=CC(=CC=C1)Br B152801 [1,1,0,0,0,0|1,1,0]=4 370 B11R1.157 CN(C)CC1=CC(=CC=C1)Br B184742 [1,1,0,0,0,0|0,1,0]=3 371 B11R1.182 C1=CC(=C(C=C1N)CCO)N H305004 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.182 CCNC1=C(C=CC(=C1)O)C E156228 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.182 CCOC1=C(C=CC(=C1)C)O B301186 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.189 CCOC1=CC=CC(=C1)C=O E135710 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.189 CNCC1=CC(=CC=C1)OC M170257 [1,1,0,0,0,0|1,0,0]=3 376 B11R1.189 COC1=CC=CC(=C1)CCBr M354174 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.189 COC1=CC=CC(=C1)CCN M123416 [1,1,0,0,0,0|1,0,0]=3 378 B11R1.189 COC1=CC=CC(=C1)CCO M136341 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.192 C1=CC(=C(C=C1CC#N)Cl)Cl D133372 [1,1,0,0,0,0|0,0,2]=4 380 B11R1.192 C1=CC(=C(C=C1CC#N)Cl)F C185871 [1,1,0,0,0,0|0,0,2]=4 381 B11R1.192 C1=CC(=C(C=C1CCN)Cl)Cl D154344 [1,1,0,0,0,0|0,0,0]=2 382 B11R1.192 C1=CC(=C(C=C1CCN)O)O A303863 [1,1,0,0,0,0|1,0,0]=3 383 B11R1.192 C1=CC(=C(C=C1CCN)O)O A303864 [1,1,0,0,0,0|1,0,0]=3 384 B11R1.192 C1=CC(=C(C=C1CCN)O)O D103111 [1,1,0,0,0,0|1,0,0]=3 385 B11R1.192 C1=CC(=C(C=C1CCN)O)O D121757 [1,1,0,0,0,0|1,0,0]=3 386 B11R1.192 C1=CC(=C(C=C1CCN)O)O H350369 [1,1,0,0,0,0|1,0,0]=3 387 B11R1.192 C1=CC(=C(C=C1CCO)Cl)Cl D134939 [1,1,0,0,0,0|1,0,0]=3 388 B11R1.192 C1=CC(=C(C=C1CCO)O)O H107675 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.192 C1=CC(=C(C=C1CCO)O)O H306005 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.192 C1=CC(=C(C=C1CCO)O)O H420486 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.192 CCCC1=CC(=C(C=C1)O)O P588420 [1,1,0,0,0,0|1,0,0]=3 392 B11R1.192 CCOC1=CC(=C(C=C1)N)N E478624 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.192 NCCC1=CC(=C(O)C=C1)O D408026 [1,1,0,0,0,0|1,0,0]=3 394 B11R1.1 C1=CC(=CC=C1CCCN)Cl C191754 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.1 C1=CC(=CC=C1CCCO)Br B135402 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.1 C1=CC(=CC=C1CCCO)Cl C405534 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.1 C1=CC(=CC=C1CCCO)O W132591 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.1 CCCCC1=CC=C(C=C1)Br B115516 [1,1,0,0,0,0|1,0,0]=3 399 B11R1.1 CCCCC1=CC=C(C=C1)Cl B167540 [1,1,0,0,0,0|1,0,0]=3 400 B11R1.1 CCCCC1=CC=C(C=C1)I B124312 [1,1,0,0,0,0|1,0,0]=3 401 B11R1.1 CCCCC1=CC=C(C=C1)N B100731 [1,1,0,0,0,0|1,0,0]=3 402 B11R1.1 CCCCC1=CC=C(C=C1)O B152848 [1,1,0,0,0,0|1,0,0]=3 403 B11R1.1 CCCC[N+]1=CC=C(C=C1)C B120508 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.1 CCCC[N+]1=CC=C(C=C1)C B120511 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.1 CCCC[N+]1=CC=C(C=C1)C B120512 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.1 CCCC[N+]1=CC=C(C=C1)C B343853 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.1 CCCC[N+]1=CC=C(C=C1)C W196192 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.1 CCCOC1=CC=C(C=C1)Br B138795 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.1 CCCOC1=CC=C(C=C1)N P420032 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.1 CCCOC1=CC=C(C=C1)O P132532 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.1 CCOCC1=CC=C(C=C1)O E194029 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.1 COCCC1=CC=C(C=C1)O M136398 [1,1,0,0,0,0|1,0,0]=3 413 B11R1.16 C1=CC=C(C=C1)C(CCCl)O C123100 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.16 C1=CC=C(C=C1)C(CCCl)O C123101 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.16 C1=CC=C(C=C1)C(CCCl)O C153387 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.16 C1=CC=C(C=C1)C(CCO)N A101338 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.16 C1=CC=C(C=C1)C(CCO)N A101343 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.16 C1=CC=C(C=C1)C(CCO)N A101349 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.16 C=CCC(C1=CC=CC=C1)O P160315 [1,1,0,0,0,0|1,0,1]=4 420 B11R1.16 CC(CC=O)C1=CC=CC=C1 P468811 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.16 CC(CCO)C1=CC=CC=C1 P169190 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.16 CC(CCO)C1=CC=CC=C1 P638679 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.16 CC(CNC)C1=CC=CC=C1 P342591 [1,1,0,0,0,0|0,0,0]=2 424 B11R1.16 CCCC(=O)C1=CC=CC=C1 B100860 [1,1,0,0,0,0|1,0,1]=4 425 B11R1.16 CCCC(C1=CC=CC=C1)O P160157 [1,1,0,0,0,0|1,0,0]=3 426 B11R1.16 CCCC(C1=CC=CC=C1)O R468963 [1,1,0,0,0,0|1,0,0]=3 427 B11R1.16 CCCC(C1=CC=CC=C1)O S468962 [1,1,0,0,0,0|1,0,0]=3 428 B11R1.16 CNCC(C1=CC=CC=C1)O M351446 [1,1,0,0,0,0|0,0,0]=2 429 B11R1.16 CNOC(=O)C1=CC=CC=C1 O159914 [1,1,0,0,0,0|1,0,1]=4 430 B11R1.16 COCC(C1=CC=CC=C1)N R185788 [1,1,0,0,0,0|1,0,0]=3 431 B11R1.17 C1=CC=C(C(=C1)CCC#N)Cl C194792 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.17 C1=CC=C(C(=C1)CCCO)Br B193732 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.17 CCCCC1=CC=CC=C1N B151822 [1,1,0,0,0,0|1,0,0]=3 434 B11R1.28 C#CCOCC1=CC=CC=C1 P589024 [1,1,0,0,0,0|1,0,1]=4 435 B11R1.28 C1=CC=C(C=C1)CCCCBr B140194 [1,1,0,0,0,0|1,0,0]=3 436 B11R1.28 C1=CC=C(C=C1)CCCCCl P404858 [1,1,0,0,0,0|1,0,0]=3 437 B11R1.28 C1=CC=C(C=C1)CCCCN B292880 [1,1,0,0,0,0|1,0,0]=3 438 B11R1.28 C1=CC=C(C=C1)CCCCN P160136 [1,1,0,0,0,0|1,0,0]=3 439 B11R1.28 C1=CC=C(C=C1)CCCCN P160137 [1,1,0,0,0,0|1,0,0]=3 440 B11R1.28 C1=CC=C(C=C1)CCCCN P493282 [1,1,0,0,0,0|1,0,0]=3 441 B11R1.28 C1=CC=C(C=C1)CCCCO P138687 [1,1,0,0,0,0|1,0,0]=3 442 B11R1.28 C1=CC=C(C=C1)CCN=C=O P160767 [1,1,0,0,0,0|0,0,2]=4 443 B11R1.28 C1=CC=C(C=C1)CCN=C=S P102544 [1,1,0,0,0,0|0,0,2]=4 444 B11R1.28 C1=CC=C(C=C1)CCNC=O I168819 [1,1,0,0,0,0|0,0,1]=3 445 B11R1.28 C1=CC=C(C=C1)CCOC=O F302132 [1,1,0,0,0,0|1,0,1]=4 446 B11R1.28 C1=CC=C(C=C1)CNCCN B124211 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.28 C1=CC=C(C=C1)CNCCO B111181 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.28 C1=CC=C(C=C1)COCC=O B136421 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.28 C1=CC=C(C=C1)COCCBr B107737 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.28 C1=CC=C(C=C1)COCCCl B132425 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.28 C1=CC=C(C=C1)COCCN B193115 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.28 C1=CC=C(C=C1)COCCO B111396 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.28 C1=CC=C(C=C1)CSCCO B140387 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.28 C1=CC=C(C=C1)NCCC#N A151772 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.28 C1=CC=C(C=C1)NCCCO A151778 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.28 C1=CC=C(C=C1)OCCCBr P160566 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.28 C1=CC=C(C=C1)OCCCN P353595 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.28 C1=CC=C(C=C1)OCCCO P160296 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.28 C1=CN=CC=C1CCCCO P193755 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.28 C=CCNCC1=CC=CC=C1 N158987 [1,1,0,0,0,0|1,0,1]=4 461 B11R1.28 C=CCOCC1=CC=CC=C1 A151095 [1,1,0,0,0,0|1,0,1]=4 462 B11R1.28 CCCC#CC1=CC=CC=C1 P404844 [1,1,0,0,0,0|1,0,1]=4 463 B11R1.28 CCCCCC1=CC=CC=C1 A151374 [1,1,0,0,0,0|1,0,0]=3 464 B11R1.28 CCCCCC1=CC=CC=N1 A132572 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.28 CCCCCC1=CC=NC=C1 A151146 [1,1,0,0,0,0|2,0,0]=4 466 B11R1.28 CCCCNC1=CC=CC=C1 B140175 [1,1,0,0,0,0|1,0,0]=3 467 B11R1.28 CCCCNC1=CC=CC=C1 N590954 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.28 CCCCOC1=CC=CC=C1 B153006 [1,1,0,0,0,0|1,0,0]=3 469 B11R1.28 CCCNCC1=CC=CC=C1 N191934 [1,1,0,0,0,0|1,0,0]=3 470 B11R1.28 CNCCOC1=CC=CC=C1 N169984 [1,1,0,0,0,0|0,0,0]=2 471 B11R1.28 OCCSCc1ccccc1 H109405 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.40 C1=CC=C(C=C1)CC(=O)NN P160484 [1,1,0,0,0,0|1,0,1]=4 473 B11R1.40 C1=CC=C(C=C1)CC(CO)N P100530 [1,1,0,0,0,0|2,0,0]=4 474 B11R1.40 C1=CC=C(C=C1)CC(CO)N P109244 [1,1,0,0,0,0|2,0,0]=4 475 B11R1.40 C1=CC=C(C=C1)CC(CO)N S160981 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.40 CCC(=O)CC1=CC=CC=C1 P160130 [1,1,0,0,0,0|1,0,1]=4 477 B11R1.40 CCC(CC1=CC=CC=C1)N P344719 [1,1,0,0,0,0|1,0,0]=3 478 B11R1.40 CCC(CC1=CC=CC=C1)O E352402 [1,1,0,0,0,0|1,0,0]=3 479 B11R1.40 CNC(=O)OC1=CC=CC=C1 P587924 [1,1,0,0,0,0|1,0,1]=4 480 B11R1.40 CNC(=S)NC1=CC=CC=C1 M158401 [1,1,0,0,0,0|1,0,1]=4 481 B11R1.40 COC(=O)CC1=CC=CC=C1 M106997 [1,1,0,0,0,0|1,0,1]=4 482 B11R1.91 B(CCC1=CC=CC=C1)(O)O P119631 [1,1,0,0,0,0|2,0,0]=4 483 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl P101406 [1,1,0,0,0,0|2,0,0]=4 484 B11R1.91 C1=CC=C(C=C1)CCC(=O)N P160460 [1,1,0,0,0,0|2,0,0]=4 485 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109276 [1,1,0,0,0,0|2,0,0]=4 486 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109277 [1,1,0,0,0,0|2,0,0]=4 487 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P424323 [1,1,0,0,0,0|2,0,0]=4 488 B11R1.91 CC(=C)COC1=CC=CC=C1 M420042 [1,1,0,0,0,0|2,0,0]=4 489 B11R1.91 CC(=O)CCC1=CC=CC=C1 P106914 [1,1,0,0,0,0|1,0,0]=3 490 B11R1.91 CC(=O)COC1=CC=CC=C1 P160134 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.91 CC(=O)NCC1=CC=CC=C1 N159297 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109251 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109253 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.91 CC(C)NCC1=CC=CC=C1 B100437 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.91 CC(CCC1=CC=CC=C1)N M168739 [1,1,0,0,0,0|1,0,0]=3 496 B11R1.91 CC(CCC1=CC=CC=C1)O I168710 [1,1,0,0,0,0|1,0,0]=3 497 B11R1.91 CC(CCC1=CC=CC=C1)O I170111 [1,1,0,0,0,0|1,0,0]=3 498 B11R1.91 CC(CCC1=CC=CC=C1)O P160159 [1,1,0,0,0,0|1,0,0]=3 499 B11R1.91 CC(COC1=CC=CC=C1)O B299831 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.91 CC(COC1=CC=CC=C1)O P135297 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.91 CN(C)CCC1=CC=CC=C1 N302096 [1,1,0,0,0,0|0,0,0]=2 502 B13R1.147 C1=CC(=CC(=C1)Cl)C(CC(=O)O)N A185995 [0,2,0,0,0,0|2,0,0]=4 503 B13R1.466 CNCC(=O)C1=CC(=C(C=C1)O)O A129906 [0,2,0,0,0,0|1,0,1]=4 504 B13R1.466 CNCC(=O)C1=CC(=C(O)C=C1)O A408863 [0,2,0,0,0,0|1,0,1]=4 505 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O D274858 [0,2,0,0,0,0|1,0,0]=3 506 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O E113174 [0,2,0,0,0,0|1,0,0]=3 507 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O E129809 [0,2,0,0,0,0|1,0,0]=3 508 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O G108394 [0,2,0,0,0,0|1,0,0]=3 509 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O G108395 [0,2,0,0,0,0|1,0,0]=3 510 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O G108396 [0,2,0,0,0,0|1,0,0]=3 511 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O G108397 [0,2,0,0,0,0|1,0,0]=3 512 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O G108398 [0,2,0,0,0,0|1,0,0]=3 513 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O G274269 [0,2,0,0,0,0|1,0,0]=3 514 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O L137183 [0,2,0,0,0,0|1,0,0]=3 515 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O L303968 [0,2,0,0,0,0|1,0,0]=3 516 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O L424712 [0,2,0,0,0,0|1,0,0]=3 517 B13R1.466 CNCC(O)C1=CC(=C(O)C=C1)O E408820 [0,2,0,0,0,0|1,0,0]=3 518 B13R1.466 CNCC(O)C1=CC(=C(O)C=C1)O L408183 [0,2,0,0,0,0|1,0,0]=3 519 B13R1.16 CCCCOC1=C(C(=CC=C1)F)F N131967 [0,2,0,0,0,0|1,1,0]=4 520 B13R1.40 COC(=O)CC1=C(C(=CC=C1)Cl)Cl M294126 [0,2,0,0,0,0|1,0,1]=4 521 B13R1.15 COC(=O)CCC1=CC(=CC=C1)Br M167459 [0,2,0,0,0,0|1,1,0]=4 522 B13R1.20 CCOC(=O)CC1=CC(=CC=C1)Cl E189013 [0,2,0,0,0,0|1,0,1]=4 523 B13R1.55 CCCCCC1=CC(=CC(=C1)O)O O135157 [0,2,0,0,0,0|2,0,0]=4 524 B13R1.55 CCCCCC1=CC(=CC(=C1)O)O O424314 [0,2,0,0,0,0|2,0,0]=4 525 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N C117066 [0,2,0,0,0,0|2,0,0]=4 526 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N C117067 [0,2,0,0,0,0|2,0,0]=4 527 B13R1.2879 COC(=O)CC1=CC(=C(C=C1)Cl)Cl M158171 [0,2,0,0,0,0|1,0,1]=4 528 B13R1.3420 C1=C(C=C(C=C1Cl)Cl)CCC(=O)O D469900 [0,2,0,0,0,0|2,0,0]=4 529 B13R1.511 C1=CC(=C(C=C1CCC(=O)O)Cl)Cl D183153 [0,2,0,0,0,0|2,0,0]=4 530 B13R1.893 CN(C)N=CC1=C(C=CC(=C1)Cl)O C357843 [0,2,0,0,0,0|1,0,1]=4 531 B11R1.81 CNCC1=C(C=C(C=C1)Cl)Cl D178117 [0,0,1,1,0,0|1,0,1]=4 532 B11R1.81 CNCC1=C(C=C(C=C1)Cl)Cl D404190 [0,0,1,1,0,0|1,0,1]=4 533 B11R1.29 CNCCC(=O)C1=CC=CS1 M589779 [0,0,1,1,0,0|2,0,0]=4 534 B11R2.35 C1CC1C2=CC(=CN=C2)N C586976 [1,0,0,1,0,0|2,0,0]=4 535 B11R2.36 C1=CC2=C(C=C1Cl)C=NN2 C186101 [1,0,0,1,0,0|1,0,1]=4 536 B11R2.36 C1=CC2=C(C=CN2)C=C1Cl C119122 [1,0,0,1,0,0|0,0,2]=4 537 B11R2.36 C1=CC2=NNN=C2C=C1Cl C153445 [1,0,0,1,0,0|2,0,0]=4 538 B11R2.36 C1=CC2=NNN=C2C=C1Cl C586524 [1,0,0,1,0,0|2,0,0]=4 539 B11R2.36 C1C2=C(CN1)C=C(C=C2)Br B178228 [1,0,0,1,0,0|0,1,0]=3 540 B11R2.36 C1C2=C(CN1)C=C(C=C2)Br B480318 [1,0,0,1,0,0|0,1,0]=3 541 B11R2.36 C1C2=C(CO1)C=C(C=C2)N D489691 [1,0,0,1,0,0|2,0,0]=4 542 B11R2.36 C1CC2=C(C1)C=C(C=C2)N A151769 [1,0,0,1,0,0|1,0,0]=3 543 B11R2.36 C1CC2=C(C1)C=C(C=C2)O H157229 [1,0,0,1,0,0|1,0,0]=3 544 B11R2.36 C1CC2=C(C1)N=C(C=C2)Cl C586503 [1,0,0,1,0,0|1,0,0]=3 545 B11R2.36 C1CNC2=C1C=C(C=C2)Br B124815 [1,0,0,1,0,0|0,1,0]=3 546 B11R2.36 C1CNC2=C1C=C(C=C2)F F124808 [1,0,0,1,0,0|0,1,0]=3 547 B11R2.36 C1CNC2=C1C=CC(=C2)Cl D303889 [1,0,0,1,0,0|1,0,0]=3 548 B11R2.36 C1CNC2=C1C=CC(=C2)F F303147 [1,0,0,1,0,0|1,1,0]=4 549 B11R2.36 C1COC2=C1C=C(C=C2)Br B152996 [1,0,0,1,0,0|1,1,0]=4 550 B11R2.106 C1=CC2=C(C(=C1)Cl)NC=C2 C119151 [1,0,0,1,0,0|0,0,2]=4 551 B11R2.106 C1C2=C(CN1)C(=CC=C2)F F188297 [1,0,0,1,0,0|0,1,0]=3 552 B11R2.106 C1CC2=C(C1)C(=CC=C2)N A169551 [1,0,0,1,0,0|1,0,0]=3 553 B11R2.106 C1CC2=C(C1)C(=CC=C2)O I191362 [1,0,0,1,0,0|1,0,0]=3 554 B11R2.106 C1CNC2=C1C(=CC=C2)Br B590407 [1,0,0,1,0,0|1,1,0]=4 555 B11R2.106 C1COC2=C1C=CC=C2Br B191973 [1,0,0,1,0,0|1,1,0]=4 556 B11R2.106 C1COC2=CC=CC(=C21)N D194182 [1,0,0,1,0,0|2,0,0]=4 557 B11R2.1 C1CC(=O)C2=CC=CC=C21 I106436 [1,0,0,1,0,0|2,0,0]=4 558 B11R2.1 C1CC(=O)C2=CC=CC=C21 I426156 [1,0,0,1,0,0|2,0,0]=4 559 B11R2.1 C1CC2=CC=CC=C2C1N A114505 [1,0,0,1,0,0|2,0,0]=4 560 B11R2.1 C1CC2=CC=CC=C2C1N D186125 [1,0,0,1,0,0|2,0,0]=4 561 B11R2.1 C1CC2=CC=CC=C2C1N S192732 [1,0,0,1,0,0|2,0,0]=4 562 B11R2.1 C1CC2=CC=CC=C2C1N S469445 [1,0,0,1,0,0|2,0,0]=4 563 B11R2.1 C1CC2=CC=CC=C2C1O H157335 [1,0,0,1,0,0|2,0,0]=4 564 B11R2.1 C1CC2=CC=CC=C2C1O H419517 [1,0,0,1,0,0|2,0,0]=4 565 B11R2.1 C1CC2=CC=CC=C2C1O H592262 [1,0,0,1,0,0|2,0,0]=4 566 B11R2.1 CC1CCC2=CC=CC=C12 M304586 [1,0,0,1,0,0|1,0,0]=3 567 B11R2.1 CC1CNC2=CC=CC=C12 M589123 [1,0,0,1,0,0|2,0,0]=4 568 B11R2.1 CN1C2=CC=CC=C2N=N1 M158121 [1,0,0,1,0,0|2,0,0]=4 569 B11R2.1 CN1C=CC2=CC=CC=C21 M108007 [1,0,0,1,0,0|0,0,2]=4 570 B11R2.1 CN1C=NC2=CC=CC=C21 M110306 [1,0,0,1,0,0|1,0,1]=4 571 B11R2.1 CN1C=NC2=CC=CC=C21 M399272 [1,0,0,1,0,0|1,0,1]=4 572 B11R2.4 C1C(C1N)C2=CC=CC=C2 R132818 [1,0,0,1,0,0|2,0,0]=4 573 B11R2.4 C1C(C1N)C2=CC=CC=C2 T275460 [1,0,0,1,0,0|2,0,0]=4 574 B11R2.4 C1C(C1N)C2=CC=CC=C2 T422413 [1,0,0,1,0,0|2,0,0]=4 575 B11R2.20 C1C=CCC2=CC=CC=C21 D155281 [1,0,0,1,0,0|1,0,1]=4 576 B11R2.20 C1CC2=CC=CC=C2C=C1 D155011 [1,0,0,1,0,0|1,0,1]=4 577 B11R2.20 C1CC2=CC=CC=C2NC1 T107484 [1,0,0,1,0,0|2,0,0]=4 578 B11R2.20 C1CCC2=C(C1)C=CC=N2 T108003 [1,0,0,1,0,0|2,0,0]=4 579 B11R2.20 C1CCC2=C(C1)C=CN=C2 T162590 [1,0,0,1,0,0|2,0,0]=4 580 B11R2.20 C1CCC2=CC=CC=C2C1 T100976 [1,0,0,1,0,0|1,0,0]=3 581 B11R2.20 C1CCC2=CC=CC=C2C1 T100978 [1,0,0,1,0,0|1,0,0]=3 582 B11R2.20 C1CCC2=CC=CC=C2C1 T100979 [1,0,0,1,0,0|1,0,0]=3 583 B11R2.20 C1CCC2=CC=CC=C2C1 T100981 [1,0,0,1,0,0|1,0,0]=3 584 B11R2.20 C1CCC2=CC=CC=C2C1 T119673 [1,0,0,1,0,0|1,0,0]=3 585 B11R2.20 C1CN=CC2=CC=CC=C21 D169557 [1,0,0,1,0,0|0,0,2]=4 586 B11R2.20 C1CNCC2=C1C=CC=N2 T176221 [1,0,0,1,0,0|1,0,0]=3 587 B11R2.20 C1CNCC2=CC=CC=C21 T139420 [1,0,0,1,0,0|0,0,0]=2 588 B11R2.20 C1COCC2=CC=CC=C21 I122961 [1,0,0,1,0,0|1,0,0]=3 589 B11R2.238 C1C(N1)CC2=CC=CC=C2 S304496 [1,0,0,1,0,0|0,0,0]=2 590 B11R2.238 C1C(O1)CC2=CC=CC=C2 E472459 [1,0,0,1,0,0|1,0,0]=3 591 B11R2.238 C1CC1SC2=CC=CC=C2 C101828 [1,0,0,1,0,0|2,0,0]=4 592 B13R2.13 C1CC(NC1)C2=CC(=CC=C2)Br B342393 [0,1,0,1,0,0|1,1,0]=4 593 B13R2.162 C1CC2=C(C=C(C=C2)Cl)C(=O)C1 C154071 [0,1,0,1,0,0|1,0,1]=4 594 B13R2.3729 C1CNC2=C(CN1)C=C(C=C2)Cl C337582 [0,1,0,1,0,0|2,0,0]=4 595 B13R2.3729 C1COC2=C(CN1)C=CC(=C2)Br B190149 [0,1,0,1,0,0|0,1,0]=3 596 B13R2.4818 CC1=C2C(=CC=C1)CCNC2=O M189610 [0,1,0,1,0,0|1,0,1]=4 597 B13R2.5179 C1CC2=C(C=CC(=C2)Cl)C(=O)C1 C154069 [0,1,0,1,0,0|1,0,1]=4 598 B13R2.5179 C1CNC(=O)C2=C1C=C(C=C2)Br B181577 [0,1,0,1,0,0|0,1,1]=4 599 B13R2.5179 C1CNC(=O)C2=C1C=C(C=C2)F F348881 [0,1,0,1,0,0|0,1,1]=4 600 B13R2.5179 C1COC2=C(C1=O)C=CC(=C2)Cl C182282 [0,1,0,1,0,0|2,0,0]=4 601 B13R2.5179 CN1CCOC2=C1C=CC(=C2)Br B343243 [0,1,0,1,0,0|0,1,0]=3 602 B13R2.4856 CN1C(=O)CC2=C1C(=CC=C2)Br B586121 [0,1,0,1,0,0|0,1,1]=4 603 B13R2.328 C1CNCC2=C1C(=CC(=C2)Cl)Cl D590019 [0,1,0,1,0,0|2,0,0]=4 604 B13R2.11642 C1CC(=O)C2=C1C=C(C=C2Cl)Cl D469228 [0,1,0,1,0,0|2,0,0]=4 605 B13R2.3683 C1CC(=O)NC2=C1C=C(C=C2)Cl C182436 [0,1,0,1,0,0|2,0,0]=4 606 B13R2.3683 C1CC2=C(CC1=O)C=CC(=C2)Br B113210 [0,1,0,1,0,0|1,1,0]=4 607 B13R2.3683 CN1CCC2=C(C1)C=CC(=C2)Br B589613 [0,1,0,1,0,0|0,1,0]=3 608 B13R2.57 COC1=CC2=C(CCCC2)C=C1 M157892 [0,1,0,1,0,0|2,0,0]=4 609 B13R2.57 COC1=CC2=C(CNCC2)C=C1 M184505 [0,1,0,1,0,0|1,0,0]=3 610 B13R2.57 COC1=CC2=C(CNCC2)C=C1 M185292 [0,1,0,1,0,0|1,0,0]=3 611 B9R1.7 CCCN1C=C(C=N1)Cl C586583 [1,0,0,0,1,0|2,0,0]=4 612 B9R1.12 CCCCC1=CC=CO1 B152372 [1,0,0,0,1,0|2,0,0]=4 613 B9R1.12 CCCCC1=CC=CS1 N189024 [1,0,0,0,1,0|2,0,0]=4 614 B9R1.12 CCCCC1=CSC=C1 B100752 [1,0,0,0,1,0|2,0,0]=4