0 B11R1.3 B(C1=CC=C(C=C1)CBr)(O)O PI-25789 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.3 BrCc1ccc(cc1)C(=O)O PI-11969 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.3 C#Cc1ccc(cc1)N(C)C PI-30225 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.3 C1=CC(=CC=C1CN)[N+](=O)[O-] PI-41579 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.3 C1=CC(=CC=C1CO)C(=O)O PI-24305 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N PI-16159 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.3 CC(=O)C1=CC=C(C=C1)C=O PI-27504 [0,0,0,0,0,0|1,0,3]=4 7 B11R1.3 CC(C)C1=CC=C(C=C1)C#C PI-30350 [0,0,0,0,0,0|1,0,1]=2 8 B11R1.3 CC(C)C1=CC=C(C=C1)CN PI-19626 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.3 CC(C)C1=NC=C(C=C1)C=O PI-44044 [0,0,0,0,0,0|1,0,2]=3 10 B11R1.3 CC(C1=CC=C(C=C1)OC)N PI-32643 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.3 CC(C1=CC=C(SC)C=C1)=O PI-16796 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.3 CC(O)C1=CC=C(OC)C=C1 PI-32585 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.3 CCC1=CC=C(C=C1)C(=O)C PI-12886 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl PI-12125 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.3 CCC1=CC=C(C=C1)C(=O)N PI-30492 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.3 CCc1ccc(cc1)B(O)O PI-28704 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-23374 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-35653 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.3 CN(C)C1=CC=C(C=C1)CO PI-41788 [0,0,0,0,0,0|1,0,0]=1 20 B11R1.3 COc1ccc(cc1)[C@@H](N)C PI-32642 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.3 C[C@@H](C1=CC=C(C=C1)C#N)O PI-49825 [0,0,0,0,0,0|2,0,1]=3 22 B11R1.3 C[C@@H](C1=CC=C(C=C1)OC)O PI-49809 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.3 C[C@H](C1=CC=C(C=C1)C#N)O PI-49824 [0,0,0,0,0,0|2,0,1]=3 24 B11R1.3 ClCc1ccc(cc1)C(=O)O PI-16127 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.3 NCC1=CC=C([N+]([O-])=O)C=C1 PI-26234 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.3 NCc1ccc(cc1)B(O)O PI-25826 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.3 NCc1ccc(cc1)C(=O)O PI-13119 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.3 NNc1ccc(cc1)C(C)C PI-29077 [0,0,0,0,0,0|2,0,0]=2 29 B11R1.3 NNc1ccc(cc1)C(C)C PI-29812 [0,0,0,0,0,0|2,0,0]=2 30 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 PI-10223 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.3 O=Cc1ccc(cc1)N(C)C PI-32094 [0,0,0,0,0,0|1,0,2]=3 32 B11R1.3 OCc1ccc(cc1)B(O)O PI-25712 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.3 OCc1ccc(cc1)[N+](=O)[O-] PI-32225 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.3 BrCc1ccc(cc1)CBr PI-32199 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.3 C1=CC(=CC=C1CBr)C#N PI-31089 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.3 C1=CC(=CC=C1CBr)C=O PI-26695 [1,0,0,0,0,0|1,0,2]=4 37 B10R1.3 C1=CC(=CC=C1CCl)C#N PI-31324 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.3 C1=CC(=CC=C1CCl)C=O PI-46952 [1,0,0,0,0,0|1,0,2]=4 39 B10R1.3 C1=CC(=CC=C1CN)CN PI-19696 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.3 C1=CC(=CC=C1CO)C=O PI-48330 [1,0,0,0,0,0|1,0,1]=3 41 B10R1.3 C1=CC(=CC=C1CS)CS PI-17107 [1,0,0,0,0,0|1,1,0]=3 42 B10R1.3 CCC1=CC=C(C=C1)C#C PI-30582 [1,0,0,0,0,0|1,0,1]=3 43 B10R1.3 CCC1=CC=C(C=C1)NN PI-50515 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.3 CCC1=CN=C(C=N1)CC PI-11051 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.3 CCc1ccc(C=O)cc1 PI-36758 [1,0,0,0,0,0|0,0,2]=3 46 B10R1.3 CNC1=CC=C(C=C1)C#N PI-35883 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.3 COC1=CC=C(C=C1)C#N PI-11998 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.3 COC1=CC=C(C=C1)CS PI-45776 [1,0,0,0,0,0|1,1,0]=3 49 B10R1.3 COC1=CC=C(CC)C=C1 PI-12098 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.3 COc1ccc(cc1)C#C PI-30919 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.3 COc1ccc(cc1)C=C PI-34180 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.3 COc1ccc(cc1)SC PI-12000 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.3 CSC1=CC=C(C=C1)CO PI-30503 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.3 CSC1=CC=C(C=C1)NN PI-29509 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.3 CSc1ccc(cc1)C=O PI-27503 [1,0,0,0,0,0|1,0,2]=4 56 B10R1.3 ClCc1ccc(OC)cc1 PI-11999 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.3 NCc1ccc(OC)cc1 PI-10970 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.3 NCc1ccc(cc1)C#N PI-24033 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.3 NNc1ccc(cc1)OC PI-25299 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.3 OCc1ccc(CBr)cc1 PI-22138 [1,0,0,0,0,0|1,0,0]=2 61 B10R1.3 OCc1ccc(cc1)CO PI-30750 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.3 ON=C1C=CC(=NO)C=C1 PI-16493 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.13 B(C1=CC=C(C=C1)O)(O)O PI-25808 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.13 C1=CC(=CC=C1C(Cl)Cl)F PI-19632 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.13 C1=CC(=CC=C1C(F)F)Br PI-21636 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.13 CC(C)C1=CC=C(C=C1)Br PI-32313 [1,0,0,0,0,0|1,0,0]=2 71 B10R1.13 CC(C)C1=CC=C(C=C1)N PI-50230 [1,0,0,0,0,0|1,0,0]=2 72 B10R1.13 CC(C)C1=CC=C(C=C1)S PI-21362 [1,0,0,0,0,0|0,1,0]=2 73 B10R1.13 CC(C)C1=NNC(=O)C=C1 PI-48300 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.13 CC(C1=CC=C(C=C1)Br)N PI-19358 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [1,0,0,0,0,0|1,0,1]=3 79 B10R1.13 CC(N)C1=NC=C(F)C=C1 PI-41878 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [1,0,0,0,0,0|1,0,1]=3 83 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [1,0,0,0,0,0|1,0,0]=2 86 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [1,0,0,0,0,0|1,0,0]=2 87 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [1,0,0,0,0,0|1,0,0]=2 88 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.13 CN(C)C1=CC=C(C=C1)N PI-29738 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.13 CN(C)C1=CC=C(C=C1)S PI-23412 [1,0,0,0,0,0|1,1,0]=3 91 B10R1.13 CN(C)C1=NC=C(Br)C=C1 PI-46676 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.13 CN(C)C1=NC=C(C=C1)N PI-33882 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.13 CN(c1ccc(cc1)Br)C PI-32601 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.13 C[C@@H](c1ccc(cc1)Br)N PI-16658 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [1,0,0,0,0,0|2,0,0]=3 97 B10R1.13 C[C@@H](c1ccc(cc1)F)N PI-43974 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [1,0,0,0,0,0|1,0,0]=2 99 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 PI-41877 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [1,0,0,0,0,0|0,0,0]=1 102 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [1,0,0,0,0,0|2,0,1]=4 104 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.13 Nc1ccc(cc1)N(C)C PI-29785 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.13 Nc1ccc(cc1)N(C)C PI-30690 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.13 Nc1ccc(nc1)C(C)C PI-38600 [1,0,0,0,0,0|2,0,0]=3 109 B10R1.13 Nc1ccc(nc1)N(C)C PI-36330 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.13 OB(c1ccc(cc1)C)O PI-35795 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [1,0,0,0,0,0|2,0,1]=4 114 B12R1.5 BrCc1ccc(cc1)C(=O)OC PI-31123 [0,1,0,0,0,0|2,0,1]=4 115 B12R1.5 COC(=O)C1=CC=C(C=C1)CCl PI-24334 [0,1,0,0,0,0|2,0,1]=4 116 B12R1.5 COC(=O)C1=CC=C(C=C1)CO PI-50464 [0,1,0,0,0,0|1,0,1]=3 117 B12R1.5 COC(C1=CN=C(C=C1)CO)=O PI-33159 [0,1,0,0,0,0|2,0,1]=4 118 B12R1.6 BrCc1ccc(cc1)C(C)(C)C PI-12017 [0,1,0,0,0,0|1,0,0]=2 119 B12R1.6 C1=CC(=CC=C1CBr)C(F)(F)F PI-28505 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.6 CC(C)(C)C1=CC=C(C=C1)C#C PI-22985 [0,1,0,0,0,0|1,0,1]=3 121 B12R1.6 CC(C)(C)C1=CC=C(C=C1)C=O PI-12015 [0,1,0,0,0,0|0,0,2]=3 122 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CN PI-15629 [0,1,0,0,0,0|1,0,0]=2 123 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CO PI-46935 [0,1,0,0,0,0|0,0,0]=1 124 B12R1.6 CC(C)(C)C1=CC=C(C=C1)NN PI-15647 [0,1,0,0,0,0|2,0,0]=3 125 B12R1.6 CC(C)(C)C1=CC=C(C=C1)NN PI-50544 [0,1,0,0,0,0|2,0,0]=3 126 B12R1.6 CC(C)(C)C1=NC=C(C=C1)C=O PI-48244 [0,1,0,0,0,0|1,0,2]=4 127 B12R1.6 CC(C)(C)c1ccc(cc1)C#N PI-12016 [0,1,0,0,0,0|1,0,1]=3 128 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)CCl PI-14891 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.6 C[Si](C)(C)C1=CC=C(C=C1)C=C PI-45681 [0,1,0,0,0,0|1,1,1]=4 130 B12R1.6 ClCc1ccc(cc1)C(C)(C)C PI-12472 [0,1,0,0,0,0|1,0,0]=2 131 B12R1.6 ClCc1ccc(cc1)C(F)(F)F PI-28893 [0,1,0,0,0,0|3,0,0]=4 132 B12R1.6 NCc1ccc(cc1)C(F)(F)F PI-28391 [0,1,0,0,0,0|3,0,0]=4 133 B12R1.6 NCc1ccc(cc1)S(=O)(=O)C PI-38598 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.6 OCC1=CC=C(C(F)(F)F)C=C1 PI-28424 [0,1,0,0,0,0|2,0,0]=3 135 B12R1.6 OCc1ccc(nc1)C(F)(F)F PI-39531 [0,1,0,0,0,0|3,0,0]=4 136 B12R1.6 SCc1ccc(cc1)C(F)(F)F PI-24980 [0,1,0,0,0,0|2,1,0]=4 137 B12R1.48 B(C1=CC(=C(C=C1)CO)C)(O)O PI-49978 [0,1,0,0,0,0|3,0,0]=4 138 B12R1.48 C1=CC(=C(C=C1[N+](=O)[O-])N)CO PI-26910 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.48 CC1=C(C=CC(=C1)N(C)C)C=O PI-27107 [0,1,0,0,0,0|1,0,2]=4 140 B12R1.48 CC1=C(C=CC(=C1)[N+](=O)[O-])CO PI-49446 [0,1,0,0,0,0|3,0,0]=4 141 B12R1.48 CN(C)C1=CC(=C(C=C1)C=O)Cl PI-27168 [0,1,0,0,0,0|1,0,2]=4 142 B12R1.48 CN(C)C1=CC(=C(C=C1)N=O)O PI-29586 [0,1,0,0,0,0|2,0,1]=4 143 B12R1.48 O=Cc1ccc(cc1O)N(C)C PI-36325 [0,1,0,0,0,0|1,0,2]=4 144 B12R1.113 C1=CC(=CC=C1CON)[N+](=O)[O-] PI-26285 [0,1,0,0,0,0|3,0,0]=4 145 B12R1.113 CC(=O)C1=CC=C(C=C1)CCBr PI-29574 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.113 CC(=O)C1=CC=C(C=C1)CCCl PI-29851 [0,1,0,0,0,0|2,0,1]=4 147 B12R1.113 CC(C)C1=CC=C(C=C1)CC#N PI-19627 [0,1,0,0,0,0|1,0,0]=2 148 B12R1.113 CC(C)C1=CC=C(C=C1)N=C=O PI-11414 [0,1,0,0,0,0|0,0,2]=3 149 B12R1.113 CCCC1=CC=C(C=C1)C(=O)C PI-12355 [0,1,0,0,0,0|2,0,1]=4 150 B12R1.113 CCOC1=CC=C(C=C1)C(=O)C PI-12228 [0,1,0,0,0,0|2,0,1]=4 151 B12R1.113 CCOC1=CC=C(C=C1)[C@@H](C)O PI-49822 [0,1,0,0,0,0|2,0,0]=3 152 B12R1.113 CN(C)C1=CC=C(C=C1)N=C=S PI-21937 [0,1,0,0,0,0|1,1,1]=4 153 B12R1.113 CN(c1ccc(cc1)N=C=O)C PI-11431 [0,1,0,0,0,0|1,0,2]=4 154 B12R1.113 COCc1ccc(cc1)B(O)O PI-36858 [0,1,0,0,0,0|3,0,0]=4 155 B12R1.113 OCCc1ccc(cc1)[N+](=O)[O-] PI-28018 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.256 B(C1=CC=C(C=C1)C(=O)C)(O)O PI-16433 [0,1,0,0,0,0|2,0,1]=4 157 B12R1.256 B(C1=CN=C(C=C1)N(C)C)(O)O PI-38966 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.256 C1=CC(=CC=C1B(O)O)C(C)C PI-25211 [0,1,0,0,0,0|1,0,0]=2 159 B12R1.256 C1=CC(=CC=C1C(Br)Br)C(Br)Br PI-30180 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C PI-29338 [0,1,0,0,0,0|1,0,2]=4 161 B12R1.256 CC(=O)c1ccc(cc1)C(=O)O PI-10308 [0,1,0,0,0,0|1,0,2]=4 162 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)C PI-12756 [0,1,0,0,0,0|0,0,2]=3 163 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O PI-10224 [0,1,0,0,0,0|0,0,1]=2 164 B12R1.256 CC(C)C1=NC=C(C=C1)C(=O)C PI-44046 [0,1,0,0,0,0|1,0,2]=4 165 B12R1.256 CC(C1=CC=C(C=C1)C(=O)N)O PI-44117 [0,1,0,0,0,0|1,0,2]=4 166 B12R1.256 CC(C1=CC=C(C=C1)[N+](=O)[O-])N PI-26310 [0,1,0,0,0,0|2,0,1]=4 167 B12R1.256 CC(C1=CC=C(C=C1)[N+](=O)[O-])N PI-26626 [0,1,0,0,0,0|2,0,1]=4 168 B12R1.256 CN(C)C1=CC=C(C=C1)N(C)C PI-30028 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.256 CN(c1ccc(cc1)C(=O)O)C PI-33461 [0,1,0,0,0,0|1,0,1]=3 170 B12R1.256 CN(c1ccc(cc1)N(C)C)C PI-30819 [0,1,0,0,0,0|3,0,0]=4 171 B12R1.256 C[C@H](C1=CC=C(C=C1)[N+](=O)[O-])O PI-49812 [0,1,0,0,0,0|2,0,1]=4 172 B12R1.256 C[Si](C)C1=CC=C(C=C1)[Si](C)C PI-46040 [0,1,0,0,0,0|1,2,0]=4 173 B12R1.256 C[Si](C)C1=CC=C(C=C1)[Si](C)C PI-50095 [0,1,0,0,0,0|1,2,0]=4 174 B12R1.256 N[C@H](C)C1=CC=C([N+]([O-])=O)C=C1 PI-26752 [0,1,0,0,0,0|2,0,1]=4 175 B12R1.452 OCC1=CC=C([N+]([O-])=O)C(C)=C1 PI-26918 [0,1,0,0,0,0|3,0,0]=4 176 B12R1.452 OCc1ccc(c(c1)F)[N+](=O)[O-] PI-38269 [0,1,0,0,0,0|3,0,0]=4 177 B12R1.452 OCc1ccc(c(c1)N)[N+](=O)[O-] PI-29171 [0,1,0,0,0,0|3,0,0]=4 178 B12R1.4 C1=CC(=CC=C1CBr)OC(F)F PI-21191 [0,0,0,0,0,1|3,0,0]=4 179 B12R1.4 C1=CC(=CC=C1CN)OC(F)F PI-21188 [0,0,0,0,0,1|3,0,0]=4 180 B12R1.4 C1=CC(=CC=C1CO)OC(F)F PI-21187 [0,0,0,0,0,1|2,0,0]=3 181 B12R1.4 CC(=O)NC1=CC=C(C=C1)CCl PI-26732 [0,0,0,0,0,1|2,0,1]=4 182 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O PI-27291 [0,0,0,0,0,1|0,0,2]=3 183 B12R1.4 CC(C)OC1=CC=C(C=C1)NN PI-44104 [0,0,0,0,0,1|2,0,0]=3 184 B12R1.4 CC(CC1=CC=C(C=C1)OC)N PI-49796 [0,0,0,0,0,1|3,0,0]=4 185 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C PI-26566 [0,0,0,0,0,1|2,0,1]=4 186 B12R1.4 CCc1ccc(cc1)CC(=O)C PI-15443 [0,0,0,0,0,1|2,0,1]=4 187 B12R1.4 OCc1ccc(cc1)CC(=O)O PI-30890 [0,0,0,0,0,1|2,0,1]=4 188 B12R1.4 OCc1ccc(cc1)NC(=O)C PI-26188 [0,0,0,0,0,1|1,0,1]=3 189 B9R1.1 BrCc1ccc(Br)cc1 PI-11967 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.1 BrCc1ccc(Cl)cc1 PI-15674 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.1 BrCc1ccc(I)cc1 PI-16508 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.1 C1=CC(=CC=C1CBr)F PI-12706 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.1 C1=CC(=CC=C1CCl)Br PI-20545 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.1 C1=CC(=CC=C1CN)Cl PI-11469 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.1 C1=CC(=CC=C1CN)I PI-33700 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.1 C1=CC(=CC=C1CN)O PI-20736 [2,0,0,0,0,0|1,0,0]=3 197 B9R1.1 C1=CC(=CC=C1CO)F PI-16874 [2,0,0,0,0,0|1,0,0]=3 198 B9R1.1 C1=CC(=CC=C1CO)N PI-11961 [2,0,0,0,0,0|1,0,0]=3 199 B9R1.1 C1=CC(=CC=C1CS)F PI-23496 [2,0,0,0,0,0|1,1,0]=4 200 B9R1.1 C1=CC(=NC=C1CO)N PI-44054 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.1 CC1=CC=C(C=C1)C#C PI-30916 [2,0,0,0,0,0|0,0,2]=4 202 B9R1.1 CC1=CC=C(C=C1)CBr PI-38678 [2,0,0,0,0,0|1,0,0]=3 203 B9R1.1 CCC1=CC=C(C=C1)Br PI-16231 [2,0,0,0,0,0|1,0,0]=3 204 B9R1.1 CCC1=CC=C(C=C1)Cl PI-19776 [2,0,0,0,0,0|1,0,0]=3 205 B9R1.1 CCC1=CC=C(C=C1)F PI-22092 [2,0,0,0,0,0|1,0,0]=3 206 B9R1.1 CCC1=CC=C(C=C1)S PI-13700 [2,0,0,0,0,0|0,1,0]=3 207 B9R1.1 CCc1ccc(C)cc1 PI-36542 [2,0,0,0,0,0|0,0,0]=2 208 B9R1.1 CNC1=CC=C(C=C1)Cl PI-34211 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.1 CNC1=CC=C(C=C1)N PI-10555 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.1 CNc1ccc(cc1)Br PI-21585 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.1 COC1=CC=C(C=C1)F PI-12219 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.1 COC1=CC=C(C=C1)S PI-21363 [2,0,0,0,0,0|1,1,0]=4 213 B9R1.1 COc1ccc(Cl)cc1 PI-34198 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.1 COc1ccc(O)cn1 PI-26700 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.1 COc1ccc(cc1)Br PI-34196 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.1 COc1ccc(cc1)I PI-33808 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.1 COc1ccc(cc1)O PI-31355 [2,0,0,0,0,0|1,0,0]=3 218 B9R1.1 CSC1=CC=C(C=C1)F PI-11986 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.1 CSc1ccc(cc1)O PI-18075 [2,0,0,0,0,0|1,0,0]=3 220 B9R1.1 ClCc1ccc(F)cc1 PI-31364 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.1 N#Cc1ccc(cc1)O PI-35246 [2,0,0,0,0,0|1,0,1]=4 222 B9R1.1 NC1=CC=C(SC)C=C1 PI-11963 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.1 NCc1ccc(F)cc1 PI-11985 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.1 NCc1ccc(cc1)Br PI-20544 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.1 NCc1ccc(cc1)Br PI-38542 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.1 NNc1ccc(C)cc1 PI-13126 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.1 O=Cc1ccc(cc1)O PI-37802 [2,0,0,0,0,0|1,0,1]=4 228 B9R1.1 OCc1ccc(Cl)nc1 PI-16749 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.1 OCc1ccc(S)cc1 PI-35674 [2,0,0,0,0,0|1,0,0]=3 230 B9R1.1 OCc1ccc(cc1)Cl PI-11977 [2,0,0,0,0,0|1,0,0]=3 231 B9R1.1 OCc1ccc(cc1)I PI-33685 [2,0,0,0,0,0|1,0,0]=3 232 B9R1.1 OCc1ccc(cc1)O PI-29788 [2,0,0,0,0,0|1,0,0]=3 233 B9R1.1 OCc1ccc(cn1)Br PI-10546 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.1 OCc1cnc(nc1)C PI-32943 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.6 CC(C)c1ccncc1 PI-16693 [2,0,0,0,0,0|1,0,0]=3 236 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [2,0,0,0,0,0|1,0,0]=3 237 B9R1.6 CC(c1ccccn1)N PI-38576 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.6 CC(c1ccncc1)N PI-38572 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.6 CN(C)c1ccncc1 PI-16263 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [2,0,0,0,0,0|1,0,0]=3 242 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [2,0,0,0,0,0|1,0,0]=3 246 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [2,0,0,0,0,0|1,0,0]=3 249 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [2,0,0,0,0,0|1,0,0]=3 250 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [2,0,0,0,0,0|0,1,0]=3 251 B11R1.83 C1=CC(=CC=C1CCN)C#N PI-48254 [1,1,0,0,0,0|1,0,1]=4 252 B11R1.83 CCCC1=CC=C(C=C1)C#C PI-30797 [1,1,0,0,0,0|1,0,1]=4 253 B11R1.83 CCCC1=CC=C(C=C1)C=O PI-27431 [1,1,0,0,0,0|0,0,2]=4 254 B11R1.83 CCOC1=CC=C(C=C1)C#C PI-30939 [1,1,0,0,0,0|1,0,1]=4 255 B11R1.83 CCOC1=CC=C(C=C1)C#N PI-50300 [1,1,0,0,0,0|1,0,1]=4 256 B11R1.83 CCOC1=CC=C(C=C1)C=O PI-50245 [1,1,0,0,0,0|0,0,2]=4 257 B11R1.83 CCSC1=CC=C(C=C1)C=O PI-27942 [1,1,0,0,0,0|0,0,2]=4 258 B11R1.83 COC1=CC=C(C=C1)CC#N PI-31718 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.83 COC1=CC=C(C=C1)CCO PI-35236 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.83 COC1=CC=C(C=C1)CNN PI-50561 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.83 COC1=CC=C(C=C1)CNO PI-44099 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.83 COCc1ccc(cc1)OC PI-35666 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.83 CSC1=CC=C(C=C1)CC#N PI-50651 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.83 NCCc1ccc(OC)cc1 PI-31711 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.279 C1=CC(=C(C=C1CO)Br)CO PI-48915 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.279 COC1=C(C=C(C=C1)CBr)F PI-23718 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.279 COC1=C(C=C(C=C1)CN)Cl PI-30601 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.279 ClCc1ccc(OC)c(F)c1 PI-16369 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.279 NCc1ccc(c(c1)Cl)OC PI-37600 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.19 Brc1ccc(cc1)C(C)(C)C PI-11587 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Cl PI-34169 [1,1,0,0,0,0|1,0,0]=3 272 B11R1.19 CC(C)(C)C1=CC=C(C=C1)I PI-15640 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.19 CC(C)(C)C1=CC=C(C=C1)N PI-22877 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.19 CC(C)(C)c1ccc(S)cc1 PI-23054 [1,1,0,0,0,0|0,1,0]=3 275 B11R1.19 CC(C1=CC=C(Br)C=C1)(F)C PI-46657 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.19 CC(C1=CC=C(C=C1)Br)(F)F PI-42710 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.19 CC1=CC=C(C=C1)C(C)(C)C PI-31987 [1,1,0,0,0,0|0,0,0]=2 278 B11R1.19 CC1=CC=C(C=C1)C(F)(F)F PI-28686 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)C PI-25437 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.19 FC(c1ccc(cc1)O)(F)F PI-10422 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.19 Oc1ccc(cc1)S(=O)(=O)C PI-27192 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.21 CC(=O)c1ccc(c(c1)C)O PI-29955 [1,1,0,0,0,0|1,0,1]=4 283 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O PI-30431 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.21 CC(=O)c1ccc(c(c1)F)O PI-23584 [1,1,0,0,0,0|1,0,1]=4 285 B11R1.21 CC(C)C1=CC(=C(C=C1)N)Br PI-21542 [1,1,0,0,0,0|1,0,0]=3 286 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O PI-29084 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.21 CC(c1ccc(c(c1)N)C)C PI-19295 [1,1,0,0,0,0|0,0,0]=2 288 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)Br PI-30577 [1,1,0,0,0,0|1,0,1]=4 289 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)O PI-10230 [1,1,0,0,0,0|1,0,1]=4 290 B11R1.21 CC1=C(C=CC(=C1)N(C)C)Br PI-46966 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.21 CC1=NC=C(N=C1C)C(C)C PI-11733 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O PI-10322 [1,1,0,0,0,0|1,0,1]=4 293 B11R1.22 C1=CC(=CC=C1C(=O)CN)O PI-49411 [1,1,0,0,0,0|1,0,1]=4 294 B11R1.22 C1=CC(=CC=C1[C@@H](CCl)O)F PI-49814 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [1,1,0,0,0,0|1,0,1]=4 296 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [1,1,0,0,0,0|1,0,1]=4 297 B11R1.22 CC1=CC=C(C=C1)C(=O)OC PI-50597 [1,1,0,0,0,0|1,0,1]=4 298 B11R1.22 CCN(C1=CC=C(C=C1)C)N PI-29774 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Cl PI-12994 [1,1,0,0,0,0|1,0,1]=4 300 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F PI-16148 [1,1,0,0,0,0|1,0,1]=4 301 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)N PI-30973 [1,1,0,0,0,0|1,0,1]=4 302 B11R1.166 CC(N)C1=CC=C(Cl)C=C1Cl PI-41295 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)C PI-12264 [1,1,0,0,0,0|1,0,1]=4 304 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)C PI-11718 [1,1,0,0,0,0|1,0,1]=4 305 B11R1.166 Cc1ccc(c(c1)O)C(=O)C PI-29847 [1,1,0,0,0,0|1,0,1]=4 306 B11R1.166 OC1=CC=C(C(C)C)C(O)=C1 PI-40893 [1,1,0,0,0,0|0,0,0]=2 307 B11R1.166 Oc1ccc(C(=O)C)c(O)c1 PI-15410 [1,1,0,0,0,0|1,0,1]=4 308 B13R1.4 C1=CC(=CC=C1CO)OC(F)(F)F PI-24153 [0,1,0,0,0,1|2,0,0]=4 309 B13R1.4 C1=CC(=CC=C1CO)SC(F)(F)F PI-28647 [0,1,0,0,0,1|2,0,0]=4 310 B13R1.4 CC(C)(C)OC1=CC=C(C=C1)C=C PI-34181 [0,1,0,0,0,1|1,0,1]=4 311 B13R1.4 CC(C)(C)OC1=CC=C(C=C1)C=O PI-27727 [0,1,0,0,0,1|0,0,2]=4 312 B13R1.5 COC(=O)CC1=CC=C(C=C1)CO PI-50593 [0,1,0,0,0,1|1,0,1]=4 313 B13R1.585 B(C1=CC=C(C=C1)SC(C)C)(O)O PI-25515 [0,1,0,0,0,1|1,0,0]=3 314 B13R1.585 CC(C)CC1=CC=C(C=C1)C(=O)C PI-12655 [0,1,0,0,0,1|0,0,2]=4 315 B13R1.585 CC(C)CC1=CC=C(C=C1)C(=O)O PI-28475 [0,1,0,0,0,1|0,0,1]=3 316 B13R1.585 CC(C)OC1=CC=C(C=C1)C(=O)O PI-19101 [0,1,0,0,0,1|0,0,1]=3 317 B13R1.585 CC(C)OC1=NC=C(C=C1)C(=O)O PI-44115 [0,1,0,0,0,1|1,0,1]=4 318 B13R1.585 OB(c1ccc(cc1)CC(C)C)O PI-25190 [0,1,0,0,0,1|1,0,0]=3 319 B13R1.585 OB(c1ccc(cc1)CN(C)C)O PI-35862 [0,1,0,0,0,1|2,0,0]=4 320 B13R1.585 OB(c1ccc(cc1)OC(C)C)O PI-25191 [0,1,0,0,0,1|1,0,0]=3 321 B13R1.39 OCc1ccc(cc1)C(OC)OC PI-27284 [0,2,0,0,0,0|0,0,0]=2 322 B13R1.187 CCC(C)(C)C1=CC=C(C=C1)CCl PI-15217 [0,2,0,0,0,0|1,0,0]=3 323 B13R1.537 BrCC(=O)c1ccc(cc1)N(C)C PI-38289 [0,2,0,0,0,0|2,0,0]=4 324 B13R1.537 CC(C)C1=CC=C(C=C1)C(=O)CBr PI-31562 [0,2,0,0,0,0|1,0,0]=3 325 B13R1.38 C1=CC(=C(C=C1C(F)(F)F)F)CO PI-19275 [0,2,0,0,0,0|2,0,0]=4 326 B13R1.38 CC(C)(C)C1=CC(=C(C=C1)C=O)O PI-18805 [0,2,0,0,0,0|0,0,2]=4 327 B13R1.38 CC(C)(C)C1=CC(=C(C=C1)OC)Br PI-43954 [0,2,0,0,0,0|2,0,0]=4 328 B13R1.38 CC(C)(C)C1=CC(=C(C=C1)OC)N PI-30512 [0,2,0,0,0,0|2,0,0]=4 329 B13R1.140 C=CCc1ccc(cc1)C(C)(C)C PI-23001 [0,2,0,0,0,0|1,0,0]=3 330 B13R1.140 CC(C)(C)C1=CC=C(C=C1)CC#N PI-12835 [0,2,0,0,0,0|1,0,0]=3 331 B13R1.140 CC(C)(C)C1=CC=C(C=C1)CCN PI-15646 [0,2,0,0,0,0|1,0,0]=3 332 B13R1.140 CC(C)(C)C1=CC=C(C=C1)N=C=S PI-22991 [0,2,0,0,0,0|0,1,1]=4 333 B13R1.140 [C-]#[N+]Cc1ccc(cc1)C(C)(C)C PI-22887 [0,2,0,0,0,0|1,0,0]=3 334 B13R1.338 B(C1=CC=C(C=C1)[Si](C)(C)C)(O)O PI-25262 [0,2,0,0,0,0|1,1,0]=4 335 B13R1.338 CC(=O)c1ccc(cc1)C(C)(C)C PI-13220 [0,2,0,0,0,0|0,0,2]=4 336 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=O)N PI-30718 [0,2,0,0,0,0|0,0,2]=4 337 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=S)N PI-23046 [0,2,0,0,0,0|0,1,1]=4 338 B13R1.338 C[C@@H](C1=CC=C(C=C1)C(F)(F)F)O PI-49838 [0,2,0,0,0,0|2,0,0]=4 339 B13R1.338 ClC(=O)c1ccc(cc1)C(C)(C)C PI-31768 [0,2,0,0,0,0|0,0,2]=4 340 B13R1.338 OB(O)c1ccc(cc1)C(C)(C)C PI-11576 [0,2,0,0,0,0|1,0,0]=3 341 B13R1.3091 CC(C)C1=CC(=C(C=C1)OC)C=O PI-27954 [0,2,0,0,0,0|2,0,0]=4 342 B11R2.190 O=CC1=CC=C2CCC2=C1 PI-40933 [1,0,0,1,0,0|0,0,2]=4 343 B11R2.190 OCC1=CC=C2C=CC2=C1 PI-40934 [1,0,0,1,0,0|0,0,2]=4 344 B11R2.34 BrC1=CC=C(C=C1)C2CC2 PI-40963 [1,0,0,1,0,0|1,0,0]=3 345 B11R2.34 Clc1ccc(cc1)[C@@H]2OC2 PI-36332 [1,0,0,1,0,0|2,0,0]=4 346 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 PI-29473 [0,1,0,1,0,0|1,0,1]=4 347 B9R1.21 C1=C(OC(=C1)CO)CO PI-42477 [1,0,0,0,1,0|2,0,0]=4 348 B9R1.35 Cc1csc(n1)C(C)C PI-11128 [1,0,0,0,1,0|2,0,0]=4 349 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [1,0,0,0,0,1|1,0,1]=4 350 B11R1.20 CC(C)CC1=CC=C(C=C1)Br PI-13179 [1,0,0,0,0,1|1,0,0]=3 351 B11R1.20 CC(C)NC1=CC=C(C=C1)F PI-42945 [1,0,0,0,0,1|1,0,0]=3 352 B11R1.20 CC(C)OC1=CC=C(C=C1)N PI-28808 [1,0,0,0,0,1|1,0,0]=3 353 B11R1.20 CC1=CC=C(C=C1)OC(F)F PI-21199 [1,0,0,0,0,1|2,0,0]=4 354 B11R1.266 CC(C)C1=NC=CC(=C1)C=O PI-44045 [0,0,0,0,1,1|0,0,2]=4 355 B11R1.266 CCC1=NC(=CC=C1)C(C)C PI-19881 [0,0,0,0,1,1|2,0,0]=4 356 B11R1.266 CN(C)C1=CC=CC(=C1)CO PI-21930 [0,0,0,0,1,1|1,0,0]=3 357 B13R1.3 NCC1=CC=C(OCC(C)C)C=C1 PI-42364 [0,0,0,0,0,2|1,0,0]=3 358 B13R1.3 O=CC1=CC=C(OCC(C)C)C=C1 PI-27292 [0,0,0,0,0,2|0,0,2]=4