0 B10R1.1 BrCCc1ccc(Br)cc1 PI-19204 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.1 BrCCc1ccc(C)cc1 PI-21425 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.1 BrCCc1ccc(Cl)cc1 PI-21415 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.1 BrCCc1ccc(F)cc1 PI-21419 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.1 BrCCc1ccc(cc1)O PI-19128 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.1 C1=CC(=CC=C1C=NO)Cl PI-27545 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.1 C1=CC(=CC=C1C=NO)F PI-23440 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.1 C1=CC(=CC=C1CC#N)Br PI-14499 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.1 C1=CC(=CC=C1CC#N)F PI-16868 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.1 C1=CC(=CC=C1CC#N)N PI-30515 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.1 C1=CC(=CC=C1CCCl)F PI-20050 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.1 C1=CC(=CC=C1CCN)F PI-33070 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.1 C1=CC(=CC=C1CCO)Br PI-44966 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.1 C1=CC(=CC=C1CCO)Cl PI-46018 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.1 C1=CC(=CC=C1CCO)N PI-10092 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.1 C1=CC(=CC=C1CCO)O PI-29634 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.1 C1=CC(=CC=C1N=C=O)F PI-19081 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.1 CC1=CC=C(C=C1)N=C=S PI-48734 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.1 CC1=CC=C(C=C1)SCCl PI-19470 [0,0,0,0,0,0|2,1,0]=3 19 B10R1.1 CCCC1=CC=C(C=C1)Br PI-16232 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.1 CCCC1=CC=C(C=C1)I PI-19089 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.1 CCCC1=CN=C(N=C1)Cl PI-20233 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.1 CCOC1=CC=C(C=C1)Br PI-34197 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.1 CCOC1=CC=C(C=C1)I PI-12223 [0,0,0,0,0,0|1,0,0]=1 25 B10R1.1 CCOC1=NC=C(C=C1)Br PI-23209 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.1 CCOC1=NC=C(C=N1)Br PI-44892 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.1 CCOC1=NC=C(C=N1)Br PI-44917 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.1 CCOc1ccc(cc1)O PI-27806 [0,0,0,0,0,0|0,0,0]=0 29 B10R1.1 CCOc1ccc(cn1)N PI-33888 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.1 CNCC1=CC=C(C=C1)N PI-30552 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.1 FC1=CC=C(OCC)C=C1 PI-22032 [0,0,0,0,0,0|1,0,0]=1 32 B10R1.1 N#CCC1=CC=C(O)C=C1 PI-11988 [0,0,0,0,0,0|2,0,1]=3 33 B10R1.1 N#CCc1ccc(cc1)C PI-12004 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.1 NCCC1=CC=C(Br)C=C1 PI-15694 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.1 NCCc1ccc(Br)cc1 PI-22229 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.1 NCCc1ccc(O)cc1 PI-16006 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.1 NCCc1ccc(O)cc1 PI-16007 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.1 NCCc1ccc(cc1)N PI-10153 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.1 O=C=Nc1ccc(cc1)C PI-11411 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.1 O=C=Nc1ccc(cc1)Cl PI-11417 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.1 OCCc1ccc(F)cc1 PI-28804 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.1 S=C=Nc1ccc(F)cc1 PI-19162 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)Cl PI-23615 [0,0,0,0,0,0|3,0,1]=4 44 B9R1.1 BrC1=NC=C(N=C1)OC PI-35953 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.1 BrCc1ccc(Br)cc1 PI-11967 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.1 BrCc1ccc(Cl)cc1 PI-15674 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.1 BrCc1ccc(I)cc1 PI-16508 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.1 Brc1ccc(cc1)[N+]#N PI-10983 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.1 C#CC1=CC=C(C=C1)Br PI-30915 [1,0,0,0,0,0|1,0,2]=4 50 B9R1.1 C#Cc1ccc(F)cc1 PI-30917 [1,0,0,0,0,0|1,0,2]=4 51 B9R1.1 C1=CC(=CC=C1C#N)I PI-31146 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.1 C1=CC(=CC=C1C#N)N PI-10997 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.1 C1=CC(=CC=C1C=O)Cl PI-34386 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.1 C1=CC(=CC=C1C=O)F PI-33068 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.1 C1=CC(=CC=C1CBr)F PI-12706 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.1 C1=CC(=CC=C1CCl)Br PI-20545 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.1 C1=CC(=CC=C1CN)Cl PI-11469 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.1 C1=CC(=CC=C1CN)I PI-33700 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.1 C1=CC(=CC=C1CN)O PI-20736 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.1 C1=CC(=CC=C1CO)F PI-16874 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.1 C1=CC(=CC=C1CO)N PI-11961 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.1 C1=CC(=CC=C1CS)F PI-23496 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.1 C1=CC(=CC=C1NN)Br PI-14502 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.1 C1=CC(=CC=C1NN)Br PI-50387 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.1 C1=CC(=CC=C1NN)Br PI-50485 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.1 C1=CC(=CC=C1NN)Cl PI-16438 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.1 C1=CC(=CC=C1NN)Cl PI-50281 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.1 C1=CC(=CC=C1NN)F PI-31312 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.1 C1=CC(=CC=C1NN)I PI-29108 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.1 C1=CC(=NC=C1CBr)Br PI-50654 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.1 C1=CC(=NC=C1CO)N PI-44054 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.1 C1=CC(=NC=C1O)C=O PI-40986 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.1 C=Cc1ccc(cc1)Br PI-22599 [1,0,0,0,0,0|1,0,2]=4 74 B9R1.1 C=Cc1ccc(cc1)Cl PI-38314 [1,0,0,0,0,0|1,0,2]=4 75 B9R1.1 C=Cc1ccc(cc1)N PI-17562 [1,0,0,0,0,0|1,0,2]=4 76 B9R1.1 CC1=CC=C(C=C1)C#C PI-30916 [1,0,0,0,0,0|1,0,2]=4 77 B9R1.1 CC1=CC=C(C=C1)CBr PI-38678 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.1 CCC1=CC=C(C=C1)Br PI-16231 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.1 CCC1=CC=C(C=C1)Cl PI-19776 [1,0,0,0,0,0|1,0,0]=2 80 B9R1.1 CCC1=CC=C(C=C1)F PI-22092 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.1 CCC1=CC=C(C=C1)S PI-13700 [1,0,0,0,0,0|0,1,0]=2 82 B9R1.1 CCC1=CN=C(N=C1)Cl PI-21315 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.1 CCc1ccc(C)cc1 PI-36542 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.1 CNC1=CC=C(C=C1)Cl PI-34211 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.1 CNC1=CC=C(C=C1)N PI-10555 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.1 CNC1=CN=C(C=C1)Cl PI-45925 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.1 CNC1=NC=C(Br)C=C1 PI-46679 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.1 CNc1ccc(cc1)Br PI-21585 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.1 COC1=CC=C(C=C1)F PI-12219 [1,0,0,0,0,0|1,0,0]=2 90 B9R1.1 COC1=CC=C(C=C1)S PI-21363 [1,0,0,0,0,0|0,1,0]=2 91 B9R1.1 COC1=CN=C(C=C1)Br PI-45881 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.1 COC1=CN=C(N=C1)Br PI-45086 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.1 COC1=CN=C(N=C1)Cl PI-45011 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.1 COC1=NC=C(C=C1)F PI-16766 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.1 COC1=NC=C(C=N1)Br PI-31943 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.1 COC1=NC=C(C=N1)I PI-45092 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.1 COC1=NN=C(C=C1)Cl PI-30210 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.1 COc1cc[n+]([O-])cc1 PI-26063 [1,0,0,0,0,0|1,0,1]=3 99 B9R1.1 COc1ccc(Cl)cc1 PI-34198 [1,0,0,0,0,0|1,0,0]=2 100 B9R1.1 COc1ccc(N)cn1 PI-16695 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.1 COc1ccc(O)cn1 PI-26700 [1,0,0,0,0,0|1,0,0]=2 102 B9R1.1 COc1ccc(cc1)Br PI-34196 [1,0,0,0,0,0|1,0,0]=2 103 B9R1.1 COc1ccc(cc1)I PI-33808 [1,0,0,0,0,0|1,0,0]=2 104 B9R1.1 COc1ccc(cc1)O PI-31355 [1,0,0,0,0,0|0,0,0]=1 105 B9R1.1 COc1ccc(cn1)Br PI-22840 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.1 CSC1=CC=C(C=C1)F PI-11986 [1,0,0,0,0,0|1,1,0]=3 107 B9R1.1 CSc1ccc(cc1)O PI-18075 [1,0,0,0,0,0|0,1,0]=2 108 B9R1.1 ClCc1ccc(Cl)nc1 PI-10395 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.1 ClCc1ccc(F)cc1 PI-31364 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.1 N#Cc1ccc(Br)cc1 PI-11462 [1,0,0,0,0,0|2,0,1]=4 111 B9R1.1 N#Cc1ccc(Cl)cc1 PI-11470 [1,0,0,0,0,0|2,0,1]=4 112 B9R1.1 N#Cc1ccc(cc1)F PI-16865 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.1 N#Cc1ccc(cc1)O PI-35246 [1,0,0,0,0,0|1,0,1]=3 114 B9R1.1 NC1=CC=C(SC)C=C1 PI-11963 [1,0,0,0,0,0|1,1,0]=3 115 B9R1.1 NCc1ccc(F)cc1 PI-11985 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.1 NCc1ccc(cc1)Br PI-20544 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.1 NCc1ccc(cc1)Br PI-38542 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.1 NCc1ccc(nc1)Cl PI-39010 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.1 NNc1ccc(C)cc1 PI-13126 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.1 O=Cc1ccc(Br)cc1 PI-12729 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.1 O=Cc1ccc(cc1)I PI-27209 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.1 O=Cc1ccc(cc1)O PI-37802 [1,0,0,0,0,0|1,0,1]=3 123 B9R1.1 OCc1ccc(Cl)nc1 PI-16749 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.1 OCc1ccc(S)cc1 PI-35674 [1,0,0,0,0,0|1,1,0]=3 125 B9R1.1 OCc1ccc(cc1)Cl PI-11977 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.1 OCc1ccc(cc1)I PI-33685 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.1 OCc1ccc(cc1)O PI-29788 [1,0,0,0,0,0|1,0,0]=2 128 B9R1.1 OCc1ccc(cn1)Br PI-10546 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)Br PI-22497 [1,0,0,0,0,0|2,0,1]=4 130 B9R1.8 BrC#Cc1ccccc1 PI-38808 [1,0,0,0,0,0|2,0,1]=4 131 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [1,0,0,0,0,0|2,0,1]=4 133 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [1,0,0,0,0,0|2,0,0]=3 134 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [1,0,0,0,0,0|1,0,2]=4 139 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [1,0,0,0,0,0|1,0,1]=3 140 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [1,0,0,0,0,0|1,0,0]=2 144 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [1,0,0,0,0,0|1,0,0]=2 145 B9R1.8 CCOC1=NC=CN=C1 PI-11039 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.8 COCC1=CC=CC=C1 PI-19695 [1,0,0,0,0,0|2,0,0]=3 148 B9R1.8 COCc1ccccn1 PI-38670 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [1,0,0,0,0,0|1,0,1]=3 150 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [1,0,0,0,0,0|1,0,1]=3 151 B9R1.8 NCCc1cccnc1 PI-23439 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.8 NCCc1ccncc1 PI-15907 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.8 NOCc1ccccc1 PI-11329 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [1,0,0,0,0,0|3,0,0]=4 156 B11R1.1 C#CCOc1ccc(cc1)N PI-38734 [0,1,0,0,0,0|1,0,1]=3 157 B11R1.1 C1=CC(=CC=C1CCC#N)Br PI-22541 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.1 C1=CC(=CC=C1CCC=O)F PI-45774 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.1 C1=CC(=CC=C1CCCO)Cl PI-20215 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.1 C1=CC(=CC=C1CCCO)O PI-46961 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.1 C1=CC(=CC=C1F)SCC#N PI-29273 [0,1,0,0,0,0|1,1,1]=4 162 B11R1.1 C1=CC(=CC=C1N)OCCCl PI-47269 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.1 C1=CC(=CC=C1OCCO)Br PI-19473 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.1 C1=CC(=CC=C1OCCO)Cl PI-19256 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.1 C1=CC(=CC=C1SCC#N)Cl PI-30240 [0,1,0,0,0,0|1,1,1]=4 166 B11R1.1 C=CCOC1=CC=C(C=C1)Cl PI-30132 [0,1,0,0,0,0|1,0,1]=3 167 B11R1.1 CC1=CC=C(C=C1)CCC=C PI-50176 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.1 CC1=CC=C(C=C1)OCC#N PI-30497 [0,1,0,0,0,0|1,0,1]=3 169 B11R1.1 CCCCC1=CC=C(C=C1)C PI-19171 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.1 CCCCC1=CC=C(C=C1)O PI-11971 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.1 CCCC[N+]1=CC=C(C=C1)C PI-17144 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.1 CCCCc1ccc(Br)cc1 PI-30595 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.1 CCCOC1=CC=C(C=C1)Br PI-30574 [0,1,0,0,0,0|1,0,0]=2 174 B11R1.1 CCCOc1ccc(cc1)O PI-16211 [0,1,0,0,0,0|0,0,0]=1 175 B11R1.1 CCOCC1=CN=C(C=C1)N PI-44053 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.1 CNCCC1=CC=C(C=C1)O PI-43105 [0,1,0,0,0,0|1,0,0]=2 177 B11R1.1 COCCc1ccc(O)cc1 PI-12149 [0,1,0,0,0,0|1,0,0]=2 178 B11R1.1 ClCCOc1ccc(cc1)Cl PI-13022 [0,1,0,0,0,0|1,0,0]=2 179 B11R1.1 N#CCOc1ccc(F)cc1 PI-23816 [0,1,0,0,0,0|1,0,1]=3 180 B11R1.1 N#CCOc1ccc(cc1)Cl PI-30527 [0,1,0,0,0,0|1,0,1]=3 181 B11R1.1 OC1=CC=C(CCC#N)C=C1 PI-11502 [0,1,0,0,0,0|1,0,1]=3 182 B11R1.1 OCC#Cc1ccc(Cl)cc1 PI-20218 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.1 OCCCc1ccc(cc1)Br PI-39007 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.1 [C-]#[N+]CCc1ccc(Br)cc1 PI-22265 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.1 [C-]#[N+]CCc1ccc(F)cc1 PI-23814 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.20 C1=CC(=CC=C1N)OC(F)F PI-21176 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl PI-18893 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.20 C1=CC(=NC=C1Cl)OC(F)F PI-48893 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 PI-26690 [0,1,0,0,0,0|1,0,2]=4 193 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br PI-24030 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.20 CC(=O)NC1=CC=C(C=C1)S PI-26064 [0,1,0,0,0,0|1,1,1]=4 196 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [0,1,0,0,0,0|1,0,1]=3 197 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [0,1,0,0,0,0|0,0,1]=2 198 B11R1.20 CC(=O)Oc1ccc(cc1)Br PI-35155 [0,1,0,0,0,0|1,0,1]=3 199 B11R1.20 CC(=O)SC1=CC=C(C=C1)I PI-35183 [0,1,0,0,0,0|1,1,1]=4 200 B11R1.20 CC(C)CC1=CC=C(C=C1)Br PI-13179 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.20 CC(C)NC1=CC=C(C=C1)F PI-42945 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.20 CC(C)OC1=CC=C(C=C1)N PI-28808 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [0,1,0,0,0,0|1,0,1]=3 204 B11R1.20 CC1=CC=C(C=C1)OC(F)F PI-21199 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.20 ClC(=S)Oc1ccc(C)cc1 PI-24674 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.20 FC(Oc1ccc(cc1)Br)F PI-21193 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.20 FC(Oc1ccc(cc1)I)F PI-21194 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.20 NC(=S)Nc1ccc(cc1)O PI-20852 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.22 BrCC(=O)c1ccc(F)cc1 PI-16507 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.22 BrCC(=O)c1ccc(cc1)Cl PI-12174 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O PI-10322 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.22 C1=CC(=CC=C1C(=O)CCl)F PI-28553 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.22 C1=CC(=CC=C1C(=O)CF)Cl PI-30480 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.22 C1=CC(=CC=C1C(=O)CN)Br PI-29690 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.22 C1=CC(=CC=C1C(=O)CN)Cl PI-16147 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.22 C1=CC(=CC=C1C(=O)CN)F PI-10226 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.22 C1=CC(=CC=C1C(=O)CN)O PI-49411 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.22 C1=CC(=CC=C1C(=O)NN)O PI-50238 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.22 C1=CC(=CC=C1[C@@H](CCl)O)F PI-49814 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.22 CC1=CC=C(C=C1)C(=O)OC PI-50597 [0,1,0,0,0,0|3,0,0]=4 227 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br PI-12718 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PI-17560 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.22 CCN(C1=CC=C(C=C1)C)N PI-29774 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.22 CNC(=O)c1ccc(cc1)N PI-38046 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.22 COC(=O)C1=CC=C(C=C1)Br PI-11276 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.22 COC(=O)C1=CC=C(C=C1)I PI-18765 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.22 COC(=O)C1=CC=C(C=C1)N PI-12227 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.22 COC(=O)c1ccc(Cl)cc1 PI-30070 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.22 COC(=O)c1ccc(O)cn1 PI-36864 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 PI-16967 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCN PI-11209 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCO PI-35237 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.81 C1=CC(=C(C=C1F)Cl)CCO PI-17322 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.81 CC1=CC(=C(C=C1)CCN)C PI-23898 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.81 CCCC1=C(C=C(C=C1)O)O PI-19259 [0,1,0,0,0,0|1,0,0]=2 242 B11R1.81 CCNC1=C(C=C(C=C1)Cl)N PI-20049 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.83 C1=CC(=CC=C1CCN)C#N PI-48254 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.83 CCCC1=CC=C(C=C1)C#C PI-30797 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.83 CCCC1=CC=C(C=C1)C=O PI-27431 [0,1,0,0,0,0|1,0,1]=3 246 B11R1.83 CCCC1=NC=C(C=C1)C=O PI-44043 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.83 CCOC1=CC=C(C=C1)C#C PI-30939 [0,1,0,0,0,0|1,0,0]=2 248 B11R1.83 CCOC1=CC=C(C=C1)C#N PI-50300 [0,1,0,0,0,0|1,0,0]=2 249 B11R1.83 CCOC1=CC=C(C=C1)C=O PI-50245 [0,1,0,0,0,0|0,0,1]=2 250 B11R1.83 CCSC1=CC=C(C=C1)C=O PI-27942 [0,1,0,0,0,0|0,1,1]=3 251 B11R1.83 COC1=CC=C(C=C1)CC#N PI-31718 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.83 COC1=CC=C(C=C1)CCO PI-35236 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.83 COC1=CC=C(C=C1)CNN PI-50561 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.83 COC1=CC=C(C=C1)CNO PI-44099 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.83 COCc1ccc(cc1)OC PI-35666 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.83 COc1ccc(cc1)N=C=O PI-39302 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.83 NCCc1ccc(OC)cc1 PI-31711 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.192 C1=CC(=C(C=C1C=NO)O)O PI-27491 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.192 C1=CC(=C(C=C1CCO)O)O PI-27061 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.192 C=CCC1=CC(=C(C=C1)O)O PI-41465 [0,1,0,0,0,0|1,0,2]=4 261 B11R1.192 CCOC1=CC(=C(C=C1)N)N PI-13551 [0,1,0,0,0,0|1,0,0]=2 262 B11R1.192 CCOC1=NC=C(C(=O)N1)F PI-12570 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.192 NCCc1ccc(c(c1)C)C PI-23900 [0,1,0,0,0,0|3,0,0]=4 264 B9R0.48 CCOC(=O)C=CC(=O)O PI-47111 [0,0,1,0,0,0|2,0,0]=3 265 B11R2.34 BrC1=CC=C(C=C1)C2CC2 PI-40963 [0,0,0,1,0,0|2,0,0]=3 266 B11R2.34 Clc1ccc(cc1)[C@@H]2OC2 PI-36332 [0,0,0,1,0,0|3,0,0]=4 267 B11R2.36 Brc1ccc2c(c1)CCN2 PI-11096 [0,0,0,1,0,0|2,0,0]=3 268 B11R2.36 Brc1cnc2c(c1)CCC2 PI-39405 [0,0,0,1,0,0|3,0,0]=4 269 B11R2.36 C1=CC2=C(C=C1Cl)N=CO2 PI-12027 [0,0,0,1,0,0|2,0,1]=4 270 B11R2.36 C1=CC2=C(C=C1O)C=NN2 PI-44936 [0,0,0,1,0,0|2,0,1]=4 271 B11R2.36 C1=CC2=C(C=C1O)NN=C2 PI-45210 [0,0,0,1,0,0|3,0,0]=4 272 B11R2.36 C1=CC2=C(C=CO2)C=C1Br PI-19337 [0,0,0,1,0,0|1,0,2]=4 273 B11R2.36 C1=CC2=NON=C2C=C1O PI-20734 [0,0,0,1,0,0|3,0,0]=4 274 B11R2.36 C1CC2=C(C1)C=C(C=C2)N PI-17685 [0,0,0,1,0,0|2,0,0]=3 275 B11R2.36 C1CNC2=C1C=C(C=C2)Cl PI-11098 [0,0,0,1,0,0|2,0,0]=3 276 B11R2.36 C1CNC2=C1C=C(C=C2)O PI-36194 [0,0,0,1,0,0|1,0,0]=2 277 B11R2.36 C1CNC2=C1C=CC(=C2)Br PI-36067 [0,0,0,1,0,0|3,0,0]=4 278 B11R2.36 C1COC2=C1C=C(C=C2)Br PI-21650 [0,0,0,1,0,0|1,0,0]=2 279 B11R2.36 C1OC2=C(O1)C=C(C=C2)Cl PI-30880 [0,0,0,1,0,0|2,0,0]=3 280 B11R2.36 C1OC2=C(O1)C=C(C=C2)N PI-12185 [0,0,0,1,0,0|2,0,0]=3 281 B11R2.36 CC1=CC2=C(C=C1)OC=N2 PI-10825 [0,0,0,1,0,0|2,0,1]=4 282 B11R2.36 Clc1ccc2CCNc2c1 PI-36115 [0,0,0,1,0,0|3,0,0]=4 283 B11R2.36 NC1=CC=C2OC=CC2=C1 PI-40038 [0,0,0,1,0,0|1,0,2]=4 284 B11R2.36 Oc1ccc2[nH]ccc2c1 PI-10314 [0,0,0,1,0,0|1,0,2]=4 285 B11R2.36 Oc1ccc2c(c1)OCO2 PI-15354 [0,0,0,1,0,0|1,0,0]=2 286 B11R2.36 Oc1ccc2c(c1)ncs2 PI-39219 [0,0,0,1,0,0|1,1,1]=4 287 B11R2.36 Oc1ccc2cc[nH]c2c1 PI-16028 [0,0,0,1,0,0|2,0,1]=4 288 B11R2.36 Oc1ccc2nc[nH]c2c1 PI-36411 [0,0,0,1,0,0|2,0,1]=4 289 B11R2.36 SC1=CC=C2OCOC2=C1 PI-42647 [0,0,0,1,0,0|1,1,0]=3 290 B8R0.1 CCOC(=O)C=CC=O PI-40874 [1,0,1,0,0,0|1,0,1]=4 291 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [2,0,0,0,0,0|1,0,0]=3 292 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [2,0,0,0,0,0|0,0,2]=4 293 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [2,0,0,0,0,0|2,0,0]=4 294 B8R1.2 C1=CN=CC=C1CCl PI-31734 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.2 C1=CN=CC=C1CO PI-16744 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.2 CCC1=CC=CC=N1 PI-49466 [2,0,0,0,0,0|1,0,0]=3 297 B8R1.2 CCC1=NC=CN=C1 PI-11040 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [2,0,0,0,0,0|1,0,0]=3 299 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [2,0,0,0,0,0|1,0,0]=3 300 B8R1.2 CNC1=CC=CC=N1 PI-11864 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.2 CNC1=CC=NC=C1 PI-23603 [2,0,0,0,0,0|2,0,0]=4 302 B8R1.2 CNC1=CN=CC=C1 PI-11328 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.2 COC1=CC=CC=N1 PI-33887 [2,0,0,0,0,0|1,0,0]=3 304 B8R1.2 COC1=CC=NC=C1 PI-10034 [2,0,0,0,0,0|1,0,0]=3 305 B8R1.2 COC1=CN=CC=C1 PI-33889 [2,0,0,0,0,0|1,0,0]=3 306 B8R1.2 COC1=NC=CN=C1 PI-11859 [2,0,0,0,0,0|2,0,0]=4 307 B8R1.2 CSC1=CC=CC=N1 PI-16757 [2,0,0,0,0,0|1,1,0]=4 308 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [2,0,0,0,0,0|2,0,0]=4 309 B8R1.2 ClCc1ccccn1 PI-16716 [2,0,0,0,0,0|2,0,0]=4 310 B8R1.2 NCC1=CC=CC=C1 PI-37209 [2,0,0,0,0,0|1,0,0]=3 311 B8R1.2 NCC1=CC=NC=C1 PI-41875 [2,0,0,0,0,0|2,0,0]=4 312 B8R1.2 NCc1ccccn1 PI-33905 [2,0,0,0,0,0|2,0,0]=4 313 B8R1.2 NCc1cccnc1 PI-15236 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.2 NCc1ccncc1 PI-31790 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.2 NNC1=CC=CC=C1 PI-41551 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.2 OCC1=CC=CN=C1 PI-11019 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.2 OCC1=NC=CC=C1 PI-16261 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.2 OCc1ccncc1 PI-16686 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.2 ONc1ccccc1 PI-38448 [2,0,0,0,0,0|2,0,0]=4 320 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [2,0,0,0,0,0|0,0,2]=4 321 B8R1.3 Brc1ccc(C)cn1 PI-10149 [2,0,0,0,0,0|2,0,0]=4 322 B8R1.3 Brc1ccc(I)cc1 PI-21525 [2,0,0,0,0,0|2,0,0]=4 323 B8R1.3 C1=CC(=CC=C1Cl)Br PI-48678 [2,0,0,0,0,0|2,0,0]=4 324 B8R1.3 C1=CC(=CC=C1Cl)I PI-20137 [2,0,0,0,0,0|2,0,0]=4 325 B8R1.3 C1=CC(=CC=C1F)S PI-17595 [2,0,0,0,0,0|1,1,0]=4 326 B8R1.3 C1=CC(=CC=C1F)[S-] PI-28110 [2,0,0,0,0,0|1,1,0]=4 327 B8R1.3 C1=CC(=CC=C1N)S PI-14246 [2,0,0,0,0,0|1,1,0]=4 328 B8R1.3 C1=CC(=CC=C1S)Br PI-21352 [2,0,0,0,0,0|1,1,0]=4 329 B8R1.3 C1=CC(=NC=C1O)Cl PI-10086 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.3 C1=CC(=NC=C1O)I PI-34186 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.3 C1=CC(=NC=C1O)N PI-34189 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.3 CC1=CN=C(C=C1)F PI-34372 [2,0,0,0,0,0|2,0,0]=4 333 B8R1.3 CC1=CNC(=O)C=C1 PI-15774 [2,0,0,0,0,0|1,0,1]=4 334 B8R1.3 CC1=NC=C(C=C1)F PI-16773 [2,0,0,0,0,0|2,0,0]=4 335 B8R1.3 CC1=NC=C(C=C1)O PI-11928 [2,0,0,0,0,0|1,0,0]=3 336 B8R1.3 CC1=NC=C(C=N1)O PI-42081 [2,0,0,0,0,0|2,0,0]=4 337 B8R1.3 Cc1ccc(Cl)cn1 PI-36942 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.3 Cc1ccc(F)cc1 PI-34120 [2,0,0,0,0,0|1,0,0]=3 339 B8R1.3 Cc1ccc(I)cc1 PI-13709 [2,0,0,0,0,0|1,0,0]=3 340 B8R1.3 Cc1ccc(cn1)Br PI-23479 [2,0,0,0,0,0|2,0,0]=4 341 B8R1.3 Cc1ccc(cn1)N PI-13104 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.3 Clc1ccc(cn1)C PI-16696 [2,0,0,0,0,0|2,0,0]=4 343 B8R1.3 FC1=CC=C(Br)C=C1 PI-33066 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.3 FC1=NC=C(C=C1)O PI-40204 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.3 Fc1ccc(I)cc1 PI-15769 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.3 Fc1ccc(cc1)F PI-11683 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.3 Ic1ccc(cc1)I PI-10976 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.3 Nc1ccc(O)cc1 PI-34110 [2,0,0,0,0,0|1,0,0]=3 349 B8R1.3 Nc1ccc(cc1)F PI-33065 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.3 Nc1ccc(cc1)I PI-25653 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.3 Nc1ccc(cn1)C PI-25208 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.3 OC1=CN=C(Br)C=C1 PI-40203 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.3 OC1=NC=C(N)C=C1 PI-37317 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.3 Oc1ccc(Br)cc1 PI-22230 [2,0,0,0,0,0|1,0,0]=3 355 B8R1.3 Oc1ccc(I)cc1 PI-10956 [2,0,0,0,0,0|1,0,0]=3 356 B8R1.3 Oc1ccc(cc1)F PI-27532 [2,0,0,0,0,0|1,0,0]=3 357 B8R1.3 Oc1ccc(cc1)S PI-21361 [2,0,0,0,0,0|0,1,0]=3 358 B8R1.3 Oc1ccc(cn1)Br PI-16568 [2,0,0,0,0,0|2,0,0]=4 359 B8R1.3 Oc1ccc(cn1)C PI-37410 [2,0,0,0,0,0|1,0,0]=3 360 B8R1.3 Oc1ccc(cn1)Cl PI-15823 [2,0,0,0,0,0|2,0,0]=4 361 B8R1.3 Oc1ccc(cn1)F PI-34437 [2,0,0,0,0,0|2,0,0]=4 362 B8R1.3 Oc1ccc(cn1)N PI-28402 [2,0,0,0,0,0|2,0,0]=4 363 B8R1.3 [O-][n+]1ccc(cc1)C PI-33172 [2,0,0,0,0,0|1,0,1]=4 364 B10R1.3 BrCc1ccc(cc1)CBr PI-32199 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.3 C1=CC(=CC=C1CBr)C#N PI-31089 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.3 C1=CC(=CC=C1CBr)C=O PI-26695 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.3 C1=CC(=CC=C1CCl)C#N PI-31324 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.3 C1=CC(=CC=C1CCl)C=O PI-46952 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.3 C1=CC(=CC=C1CN)CN PI-19696 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.3 C1=CC(=CC=C1CO)C=O PI-48330 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.3 C1=CC(=CC=C1CS)CS PI-17107 [1,1,0,0,0,0|1,1,0]=4 372 B10R1.3 CCC1=CC=C(C=C1)C#C PI-30582 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.3 CCC1=CC=C(C=C1)NN PI-50515 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.3 CCc1ccc(C=O)cc1 PI-36758 [1,1,0,0,0,0|0,0,1]=3 375 B10R1.3 CNC1=CC=C(C=C1)C#N PI-35883 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.3 COC1=CC=C(C=C1)C#N PI-11998 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.3 COC1=CC=C(C=C1)CS PI-45776 [1,1,0,0,0,0|0,1,0]=3 378 B10R1.3 COC1=CC=C(CC)C=C1 PI-12098 [1,1,0,0,0,0|0,0,0]=2 379 B10R1.3 COC1=NC=C(C=C1)C=O PI-10317 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.3 COc1ccc(cc1)C#C PI-30919 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.3 COc1ccc(cc1)C=C PI-34180 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.3 COc1ccc(cc1)SC PI-12000 [1,1,0,0,0,0|0,1,0]=3 383 B10R1.3 COc1ccc(nc1)C=O PI-39039 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.3 CSC1=CC=C(C=C1)CO PI-30503 [1,1,0,0,0,0|0,1,0]=3 385 B10R1.3 CSC1=CC=C(C=C1)NN PI-29509 [1,1,0,0,0,0|1,1,0]=4 386 B10R1.3 CSc1ccc(cc1)C=O PI-27503 [1,1,0,0,0,0|0,1,1]=4 387 B10R1.3 ClCc1ccc(OC)cc1 PI-11999 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.3 NCc1ccc(OC)cc1 PI-10970 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.3 NCc1ccc(cc1)C#N PI-24033 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.3 NNc1ccc(cc1)OC PI-25299 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.3 NNc1ccc(nc1)OC PI-39209 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.3 OCc1ccc(CBr)cc1 PI-22138 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.3 OCc1ccc(cc1)CO PI-30750 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.3 ON=C1C=CC(=NO)C=C1 PI-16493 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.13 B(C1=CC=C(C=C1)O)(O)O PI-25808 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.13 C1=CC(=CC=C1C(Cl)Cl)F PI-19632 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.13 C1=CC(=CC=C1C(F)F)Br PI-21636 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.13 CC(C)C1=CC=C(C=C1)Br PI-32313 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.13 CC(C)C1=CC=C(C=C1)N PI-50230 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.13 CC(C)C1=CC=C(C=C1)S PI-21362 [1,1,0,0,0,0|0,1,0]=3 405 B10R1.13 CC(C1=CC=C(C=C1)Br)N PI-19358 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [1,1,0,0,0,0|0,0,1]=3 410 B10R1.13 CC(N)C1=NC=C(F)C=C1 PI-41878 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.13 CN(C)C1=CC=C(C=C1)N PI-29738 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.13 CN(C)C1=CC=C(C=C1)S PI-23412 [1,1,0,0,0,0|1,1,0]=4 418 B10R1.13 CN(c1ccc(cc1)Br)C PI-32601 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.13 C[C@@H](c1ccc(cc1)Br)N PI-16658 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.13 C[C@@H](c1ccc(cc1)F)N PI-43974 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [1,1,0,0,0,0|0,0,0]=2 424 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 PI-41877 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.13 Nc1ccc(cc1)N(C)C PI-29785 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.13 Nc1ccc(cc1)N(C)C PI-30690 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.13 Nc1ccc(nc1)C(C)C PI-38600 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.25 BrCc1ccc(cc1F)F PI-28304 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.25 C1=CC(=C(C=C1Br)F)CBr PI-11844 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.25 C1=CC(=C(C=C1Br)F)CN PI-14436 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.25 C1=CC(=C(C=C1Br)F)CN PI-31021 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.25 C1=CC(=C(C=C1Br)F)CO PI-14434 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CCl PI-33404 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.25 C1=CC(=C(C=C1Cl)F)CO PI-40484 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.25 C1=CC(=C(C=C1F)Br)CBr PI-28684 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.25 C1=CC(=C(C=C1F)Cl)CBr PI-20076 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.25 C1=CC(=C(C=C1F)Cl)CN PI-20071 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.25 C1=CC(=C(C=C1F)I)CBr PI-33648 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.25 C1=CC(=C(C=C1O)O)CO PI-11751 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.25 CC1=C(C=CC(=C1)Br)OC PI-21586 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.25 CC1=C(C=CC(=C1)Cl)OC PI-19447 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.25 CC1=CC(=C(C=C1)CCl)C PI-23825 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.25 CC1=CC(=C(C=C1)CO)N PI-26925 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.25 CC1=CC(=C(C=C1)OC)Cl PI-19323 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.25 CC1=CC(=C(C=C1)OC)F PI-23730 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.25 CC1=CC(=C(C=C1)OC)I PI-19656 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.25 CC1=CC(Br)=CN=C1OC PI-46636 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.25 CC1=CC(I)=CC=C1OC PI-19887 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.25 CC1=CC=C(OC)C(Br)=C1 PI-16425 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.25 CCC1=C(C=C(C=C1)O)O PI-27436 [1,1,0,0,0,0|0,0,0]=2 456 B10R1.25 CCC1=C(N=C(C=C1)C)N PI-30602 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.25 CNC1=CC=C(F)C=C1F PI-21200 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.25 COC1=C(C=C(C=C1)Cl)F PI-33133 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.25 COC1=C(C=C(C=C1)F)Cl PI-20055 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.25 COC1=C(C=C(C=C1)F)F PI-16982 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.25 COC1=C(C=C(C=C1)F)F PI-34388 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.25 COC1=C(C=C(C=C1)F)N PI-34515 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.25 COC1=C(C=C(C=C1)F)O PI-34264 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.25 COC1=C(C=C(C=C1)N)N PI-17225 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.25 COC1=C(C=C(C=N1)Br)I PI-26761 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.25 COC1=C(O)C=C(N)C=C1 PI-27246 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.25 COC1=NC=C(C=C1N)Br PI-44976 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.25 COc1ccc(F)cc1S PI-23728 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.25 COc1ccc(S)cc1F PI-23727 [1,1,0,0,0,0|0,1,0]=3 470 B10R1.25 COc1ccc(cc1Br)Cl PI-20603 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.25 COc1ccc(cc1Br)F PI-28540 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.25 COc1ccc(cc1Cl)N PI-38593 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.25 COc1ccc(cc1F)Br PI-16907 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.25 COc1ccc(cc1F)N PI-28446 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.25 COc1ccc(cc1F)O PI-34292 [1,1,0,0,0,0|0,0,0]=2 476 B10R1.25 COc1ncc(cc1Br)F PI-39398 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.25 CSc1ccc(cc1C)O PI-18452 [1,1,0,0,0,0|0,1,0]=3 478 B10R1.25 ClCc1ccc(cc1Cl)F PI-20080 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.25 FC1=C(C=O)C=CC(=C1)O PI-28419 [1,1,0,0,0,0|1,0,1]=4 480 B10R1.25 N#CC1=CC=C(O)C=C1F PI-16085 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.25 N#Cc1ccc(O)cc1O PI-11750 [1,1,0,0,0,0|1,0,1]=4 482 B10R1.25 NCc1ccc(cc1C)C PI-27988 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.25 NCc1ccc(cc1F)F PI-28783 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.25 O=Cc1ccc(O)cc1Cl PI-10303 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.25 O=Cc1ccc(O)cc1O PI-11749 [1,1,0,0,0,0|1,0,1]=4 486 B10R1.25 OC1=CC(=C(C=O)C=C1)C PI-18542 [1,1,0,0,0,0|1,0,1]=4 487 B10R1.25 OCc1ccc(Cl)cc1Cl PI-12129 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.25 OCc1ccc(F)cc1F PI-28645 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.25 OCc1ccc(cc1Br)F PI-39278 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.25 OCc1ccc(cc1C)C PI-38556 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.25 SCc1ccc(Br)cc1F PI-21443 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.176 BrCc1ccc(C)c(F)c1 PI-23753 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.176 BrCc1ccc(F)c(C)c1 PI-23754 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.176 C1=CC(=C(C=C1C#N)Br)O PI-16222 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.176 C1=CC(=C(C=C1C#N)F)O PI-34365 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.176 C1=CC(=C(C=C1C=O)Br)O PI-18445 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.176 C1=CC(=C(C=C1C=O)Cl)O PI-20127 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.176 C1=CC(=C(C=C1C=O)F)O PI-28509 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.176 C1=CC(=C(C=C1CBr)Cl)Cl PI-35255 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.176 C1=CC(=C(C=C1CBr)Cl)F PI-20078 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.176 C1=CC(=C(C=C1CBr)F)Br PI-35170 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.176 C1=CC(=C(C=C1CBr)F)F PI-13391 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.176 C1=CC(=C(C=C1CCl)F)F PI-21150 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.176 C1=CC(=C(C=C1CN)Br)F PI-43947 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.176 C1=CC(=C(C=C1CN)Cl)Cl PI-11886 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.176 C1=CC(=C(C=C1CN)Cl)F PI-20074 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.176 C1=CC(=C(C=C1CN)F)F PI-33741 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.176 C1=CC(=C(C=C1CO)Br)F PI-14435 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.176 C1=CC(=C(C=C1CO)Cl)Cl PI-32224 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.176 C1=CC(=C(C=C1CO)O)I PI-45003 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.176 C1=CC(=C(C=C1CO)O)O PI-19526 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.176 CC1=C(C=C(C=C1)CCl)C PI-23827 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.176 CC1=C(C=C(C=C1)CN)C PI-33680 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.176 CC1=C(C=C(C=C1)CN)Cl PI-20155 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.176 CC1=C(C=C(C=C1)OC)Cl PI-10076 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.176 CC1=C(C=C(C=C1)OC)F PI-28510 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.176 CC1=C(C=CC(=C1)C=O)O PI-18215 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.176 CC1=C(C=CC(=C1)OC)Br PI-31134 [1,1,0,0,0,0|1,0,0]=3 519 B10R1.176 CC1=C(C=CC(=C1)OC)Cl PI-19110 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.176 CC1=C(C=CC(=C1)OC)F PI-28300 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.176 CC1=C(C=CC(=C1)OC)N PI-11298 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.176 CCc1ccc(c(c1)O)O PI-19057 [1,1,0,0,0,0|0,0,0]=2 523 B10R1.176 COC1=CC(=C(C=C1)Br)Cl PI-20604 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.176 COC1=CC(=C(C=C1)Br)F PI-10453 [1,1,0,0,0,0|1,0,0]=3 525 B10R1.176 COC1=CC(=C(C=C1)Cl)Br PI-33016 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.176 COC1=CC(=C(C=C1)N)O PI-34837 [1,1,0,0,0,0|1,0,0]=3 527 B10R1.176 COC1=CC(=C(C=C1)O)Br PI-14462 [1,1,0,0,0,0|0,0,0]=2 528 B10R1.176 COC1=CC(=C(C=C1)O)N PI-34807 [1,1,0,0,0,0|0,0,0]=2 529 B10R1.176 COC1=CC(F)=C(O)C=C1 PI-40578 [1,1,0,0,0,0|0,0,0]=2 530 B10R1.176 COC1=CC=C(Cl)C(F)=C1 PI-39520 [1,1,0,0,0,0|1,0,0]=3 531 B10R1.176 COC1=CC=C(N)C(N)=C1 PI-12090 [1,1,0,0,0,0|1,0,0]=3 532 B10R1.176 COC1=NC(=C(C=C1)N)N PI-10380 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.176 COC1=NC(=C(C=C1)N)N PI-33881 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.176 COc1ccc(c(c1)Cl)O PI-20143 [1,1,0,0,0,0|0,0,0]=2 535 B10R1.176 COc1ccc(c(c1)F)F PI-28067 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.176 COc1ccc(c(c1)F)N PI-39131 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.176 COc1ccc(c(c1)N)Br PI-35266 [1,1,0,0,0,0|1,0,0]=3 538 B10R1.176 COc1ccc(c(c1)N)N PI-29731 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.176 COc1ccc(c(n1)C)Br PI-38912 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.176 COc1ncc(c(c1)C)Br PI-38911 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.176 CSC1=CC(=C(C=C1)Cl)Cl PI-11888 [1,1,0,0,0,0|1,1,0]=4 542 B10R1.176 NCc1ccc(c(c1)O)O PI-30190 [1,1,0,0,0,0|1,0,0]=3 543 B10R1.176 O=CC1=CC=C(O)C(I)=C1 PI-27762 [1,1,0,0,0,0|1,0,1]=4 544 B10R1.176 O=Cc1ccc(O)c(O)c1 PI-10046 [1,1,0,0,0,0|1,0,1]=4 545 B10R1.176 OCc1ccc(c(c1)F)Br PI-39169 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.176 OCc1occ(c(=O)c1)O PI-37271 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.4 BrCCc1ccccc1C PI-21423 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.4 BrCCc1ccccc1Cl PI-21413 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.4 BrCCc1ccccc1F PI-34239 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.4 C1=CC=C(C(=C1)CCO)F PI-23810 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.4 CCNC1=CC=CC=C1F PI-22091 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.4 CCOC1=CC=CC=C1F PI-23815 [1,1,0,0,0,0|0,0,0]=2 553 B10R1.4 CCOC1=CC=CC=C1N PI-30971 [1,1,0,0,0,0|0,0,0]=2 554 B10R1.4 CCOC1=NC=CN=C1C PI-11922 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.4 CCOc1ccncc1N PI-33891 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.4 NC1=NC=CN=C1OCC PI-46792 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.4 NCCc1ccccc1Br PI-39292 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.4 NCCc1ccccc1Cl PI-20209 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.4 NCCc1ccccc1F PI-38584 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.10 BrCCc1cccc(C)c1 PI-21424 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.10 BrCCc1cccc(Cl)c1 PI-21414 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.10 C1=CC(=CC(=C1)Br)CCN PI-48226 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.10 C1=CC(=CC(=C1)F)CCBr PI-23811 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.10 C1=CC(=CC(=C1)O)CCN PI-12399 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.10 C1=CC(=CC(=C1)O)CCO PI-48194 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.10 CCCC1=CC(=NC=C1)N PI-19769 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.10 CCOC1=CC(=CC=C1)F PI-33067 [1,1,0,0,0,0|0,0,0]=2 568 B10R1.10 CCOC1=CC(=CC=C1)S PI-21359 [1,1,0,0,0,0|0,0,0]=2 569 B10R1.10 CCOC1=NC=CC(=C1)N PI-31798 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.10 CCOc1cccc(c1)Br PI-38261 [1,1,0,0,0,0|0,0,0]=2 571 B10R1.10 NCCc1cccc(c1)F PI-33071 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.10 OCCc1cccc(c1)Cl PI-38594 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [1,1,0,0,0,0|1,0,0]=3 581 B10R1.15 CCC(O)c1ccccc1 PI-31770 [1,1,0,0,0,0|1,0,0]=3 582 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [1,1,0,0,0,0|1,0,0]=3 583 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [1,1,0,0,0,0|1,0,0]=3 585 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [1,1,0,0,0,0|1,0,0]=3 587 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.15 NCC(O)c1ccccc1 PI-17268 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.17 C1=CC(=CN=C1)CCCO PI-33814 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.17 C1=CC=C(C=C1)C#CCO PI-48957 [1,1,0,0,0,0|1,0,1]=4 600 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [1,1,0,0,0,0|1,0,0]=3 601 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [1,1,0,0,0,0|0,0,0]=2 602 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [1,1,0,0,0,0|0,0,0]=2 603 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [1,1,0,0,0,0|0,0,0]=2 604 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [1,1,0,0,0,0|1,0,1]=4 605 B10R1.17 C=CCOc1ccccc1 PI-36466 [1,1,0,0,0,0|0,0,1]=3 606 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [1,1,0,0,0,0|0,1,0]=3 612 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.17 CNCCc1ccncc1 PI-12002 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.17 ClCCCc1ccccc1 PI-33374 [1,1,0,0,0,0|1,0,0]=3 616 B10R1.17 ClCSCc1ccccc1 PI-19537 [1,1,0,0,0,0|1,1,0]=4 617 B10R1.17 NCCCc1ccccc1 PI-11351 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.17 OCCCc1ccccn1 PI-33813 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.17 OCCCc1ccncc1 PI-31736 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [1,1,0,0,0,0|1,0,1]=4 621 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [1,1,0,0,0,0|1,0,1]=4 622 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [1,1,0,0,0,0|1,0,0]=3 623 B10R1.18 CC(Cc1ccccn1)C PI-13337 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.18 ClC(=S)Oc1ccccc1 PI-13044 [1,1,0,0,0,0|1,0,1]=4 625 B12R1.1 CCCCCC1=CC=C(C=C1)Br PI-16233 [0,2,0,0,0,0|2,0,0]=4 626 B12R1.1 CCCCCc1ccc(O)cc1 PI-16210 [0,2,0,0,0,0|1,0,0]=3 627 B12R1.1 CCCCOC1=CC=C(C=C1)N PI-22654 [0,2,0,0,0,0|1,0,0]=3 628 B12R1.1 CCCCOc1ccc(cc1)Br PI-36885 [0,2,0,0,0,0|1,0,0]=3 629 B12R1.1 CCCCOc1ccc(cc1)O PI-13016 [0,2,0,0,0,0|0,0,0]=2 630 B12R1.1 ClCCCOc1ccc(F)cc1 PI-16895 [0,2,0,0,0,0|1,0,0]=3 631 B12R1.1 OCCNCc1ccc(cc1)F PI-10001 [0,2,0,0,0,0|2,0,0]=4 632 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Br PI-17566 [0,2,0,0,0,0|2,0,0]=4 633 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Cl PI-12841 [0,2,0,0,0,0|2,0,0]=4 634 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)F PI-28418 [0,2,0,0,0,0|2,0,0]=4 635 B12R1.16 C1=CC(=CC=C1[C@@H](CCO)N)F PI-48264 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.16 CC1=CC=C(C=C1)C(=O)CCCl PI-12818 [0,2,0,0,0,0|2,0,0]=4 637 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F PI-26766 [0,2,0,0,0,0|2,0,0]=4 638 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O PI-31007 [0,2,0,0,0,0|1,0,0]=3 639 B12R1.16 CCOC(=N)c1ccc(cc1)Br PI-36927 [0,2,0,0,0,0|1,0,0]=3 640 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Br PI-50243 [0,2,0,0,0,0|1,0,0]=3 641 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C PI-50598 [0,2,0,0,0,0|1,0,0]=3 642 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl PI-34232 [0,2,0,0,0,0|1,0,0]=3 643 B12R1.16 CCOC(=O)C1=CC=C(C=C1)F PI-16489 [0,2,0,0,0,0|1,0,0]=3 644 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N PI-12742 [0,2,0,0,0,0|1,0,0]=3 645 B12R1.16 CCOC(=O)C1=CN=C(C=C1)C PI-40838 [0,2,0,0,0,0|2,0,0]=4 646 B12R1.16 CCOC(=O)C1=CN=C(C=C1)Cl PI-16734 [0,2,0,0,0,0|2,0,0]=4 647 B12R1.16 CCOC(=O)C1=CN=C(C=C1)N PI-31799 [0,2,0,0,0,0|2,0,0]=4 648 B12R1.16 CCOC(=O)C1=NC=C(C=C1)N PI-31925 [0,2,0,0,0,0|2,0,0]=4 649 B12R1.16 CCOC(=O)c1ccc(cc1)N PI-38042 [0,2,0,0,0,0|1,0,0]=3 650 B12R1.16 CNCC(C1=CC=C(C=C1)O)O PI-41193 [0,2,0,0,0,0|1,0,0]=3 651 B12R1.16 CNCC(O)c1ccc(O)cc1 PI-13894 [0,2,0,0,0,0|1,0,0]=3 652 B12R1.16 COCC(=O)C1=CC=C(C=C1)O PI-44114 [0,2,0,0,0,0|1,0,0]=3 653 B12R1.16 OC1=CC=C(C(O)CNC)C=C1 PI-10494 [0,2,0,0,0,0|1,0,0]=3 654 B12R1.21 C1=CC(=CC=C1NCC(=O)O)O PI-17923 [0,2,0,0,0,0|1,0,1]=4 655 B12R1.21 C1=CC(=CC=C1OCC(=O)Cl)Cl PI-48840 [0,2,0,0,0,0|1,0,1]=4 656 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Br PI-11970 [0,2,0,0,0,0|1,0,1]=4 657 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl PI-32616 [0,2,0,0,0,0|1,0,1]=4 658 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F PI-10469 [0,2,0,0,0,0|1,0,1]=4 659 B12R1.21 C1=CC(=CC=C1OCC(=O)O)I PI-12100 [0,2,0,0,0,0|1,0,1]=4 660 B12R1.21 C1=CC(=CC=C1OCC(=O)[O-])Cl PI-48839 [0,2,0,0,0,0|1,0,1]=4 661 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O PI-29472 [0,2,0,0,0,0|1,0,1]=4 662 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Cl PI-30390 [0,2,0,0,0,0|1,1,0]=4 663 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [0,2,0,0,0,0|1,0,0]=3 664 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-20840 [0,2,0,0,0,0|1,0,0]=3 665 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-21785 [0,2,0,0,0,0|1,0,0]=3 666 B12R1.21 C[C@H](CCc1ccc(cc1)O)O PI-38464 [0,2,0,0,0,0|1,0,0]=3 667 B12R1.21 ClC(=O)COc1ccc(F)cc1 PI-23819 [0,2,0,0,0,0|1,0,1]=4 668 B12R1.21 OC(=O)CCc1ccc(O)cc1 PI-11883 [0,2,0,0,0,0|1,0,1]=4 669 B12R1.21 OC(=O)COc1ccc(C)cc1 PI-30986 [0,2,0,0,0,0|1,0,1]=4 670 B12R1.49 CCC(=O)SC1=CC=C(C=C1)C PI-19241 [0,2,0,0,0,0|1,1,0]=4 671 B12R1.49 COC(=O)CC1=CC=C(C=C1)O PI-11994 [0,2,0,0,0,0|1,0,1]=4 672 B12R1.69 C#CCOC1=C(C=C(C=C1)Cl)Cl PI-21081 [0,2,0,0,0,0|1,0,1]=4 673 B12R1.69 C1=CC(=C(C=C1N)N)OCCO PI-11318 [0,2,0,0,0,0|1,0,0]=3 674 B12R1.69 C1=CC(=C(C=C1N)N)OCCO PI-28739 [0,2,0,0,0,0|1,0,0]=3 675 B12R1.69 OCCSc1ccc(C)cc1C PI-23963 [0,2,0,0,0,0|1,1,0]=4 676 B12R1.71 C1=CC(=CC=C1C=O)OCCCl PI-27691 [0,2,0,0,0,0|0,0,1]=3 677 B12R1.71 C1=CC(=CC=C1CCCBr)C#N PI-48396 [0,2,0,0,0,0|2,0,0]=4 678 B12R1.71 C=CCOC1=CC=C(C=C1)C=O PI-27573 [0,2,0,0,0,0|0,0,2]=4 679 B12R1.71 CCCCC1=CC=C(C=C1)C#C PI-30936 [0,2,0,0,0,0|2,0,0]=4 680 B12R1.71 CCCCC1=CC=C(C=C1)C#N PI-22884 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.71 CCCCC1=CC=C(C=C1)C=O PI-27108 [0,2,0,0,0,0|1,0,1]=4 682 B12R1.71 CCCCC1=CC=C(C=C1)CN PI-30734 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.71 CCCCC1=CC=C(C=C1)NN PI-22988 [0,2,0,0,0,0|2,0,0]=4 684 B12R1.71 COC1=CC=C(C=C1)CCCCl PI-19747 [0,2,0,0,0,0|1,0,0]=3 685 B12R1.71 O=CCCc1ccc(OC)cc1 PI-13196 [0,2,0,0,0,0|1,0,1]=4 686 B12R1.71 OCC1=CC=C(OCC#C)C=C1 PI-40760 [0,2,0,0,0,0|0,0,1]=3 687 B12R1.71 OCCCc1ccc(cc1)OC PI-40026 [0,2,0,0,0,0|1,0,0]=3 688 B12R1.71 OCCOc1ccc(cc1)C=O PI-27350 [0,2,0,0,0,0|0,0,1]=3 689 B12R1.385 CCCCC1=CC(=C(C=C1)I)C PI-19229 [0,2,0,0,0,0|2,0,0]=4 690 B12R1.385 CCCOC1=CC(=C(C=C1)N)N PI-15804 [0,2,0,0,0,0|1,0,0]=3 691 B12R1.385 CCCSC1=CC(=C(C=C1)N)N PI-32069 [0,2,0,0,0,0|1,1,0]=4 692 B12R1.385 OCCNc1ccc(c(c1)O)C PI-16012 [0,2,0,0,0,0|2,0,0]=4 693 B12R1.385 OCCSc1ccc(C)c(C)c1 PI-23966 [0,2,0,0,0,0|1,1,0]=4 694 B12R1.4 C1=CC(=CC=C1C#N)OC(F)F PI-21186 [0,2,0,0,0,0|2,0,0]=4 695 B12R1.4 C1=CC(=CC=C1C=O)OC(F)F PI-21180 [0,2,0,0,0,0|1,0,1]=4 696 B12R1.4 C1=CC(=CC=C1CBr)OC(F)F PI-21191 [0,2,0,0,0,0|2,0,0]=4 697 B12R1.4 C1=CC(=CC=C1CN)OC(F)F PI-21188 [0,2,0,0,0,0|2,0,0]=4 698 B12R1.4 C1=CC(=CC=C1CO)OC(F)F PI-21187 [0,2,0,0,0,0|1,0,0]=3 699 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=C PI-26362 [0,2,0,0,0,0|1,0,1]=4 700 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O PI-27962 [0,2,0,0,0,0|0,0,2]=4 701 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O PI-27291 [0,2,0,0,0,0|0,0,1]=3 702 B12R1.4 CC(C)OC1=CC=C(C=C1)NN PI-44104 [0,2,0,0,0,0|1,0,0]=3 703 B12R1.4 CC(CC1=CC=C(C=C1)OC)N PI-49796 [0,2,0,0,0,0|1,0,0]=3 704 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C PI-26566 [0,2,0,0,0,0|1,0,1]=4 705 B12R1.4 COc1ccc(cc1)CC(=O)C PI-12198 [0,2,0,0,0,0|1,0,1]=4 706 B12R1.4 OCc1ccc(cc1)NC(=O)C PI-26188 [0,2,0,0,0,0|1,0,1]=4 707 B12R1.19 CC(=O)NC1=CC(=C(C=C1)O)Cl PI-19534 [0,2,0,0,0,0|1,0,1]=4 708 B12R1.20 CC(C(=O)C1=CC=C(C=C1)F)Br PI-46942 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.20 CC(C(=O)C1=CC=C(C=C1)F)Cl PI-20114 [0,2,0,0,0,0|2,0,0]=4 710 B12R1.20 CC(C(=O)C1=CC=C(C=C1)O)Br PI-31561 [0,2,0,0,0,0|1,0,0]=3 711 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)Cl PI-12317 [0,2,0,0,0,0|2,0,0]=4 712 B12R1.20 OC(c1ccc(cc1)Cl)C(N)C PI-10554 [0,2,0,0,0,0|2,0,0]=4 713 B12R1.106 C1=CC(=CC=C1N)OC(F)(F)F PI-16859 [0,2,0,0,0,0|2,0,0]=4 714 B12R1.106 C1=CC(=CC=C1OC(F)(F)F)Cl PI-12351 [0,2,0,0,0,0|2,0,0]=4 715 B12R1.106 C1=CC(=CC=C1OC(F)(F)F)F PI-28428 [0,2,0,0,0,0|2,0,0]=4 716 B12R1.106 C1=CC(=CC=C1OC(F)(F)F)I PI-28027 [0,2,0,0,0,0|2,0,0]=4 717 B12R1.106 C1=CC(=CC=C1OC(F)(F)F)S PI-24144 [0,2,0,0,0,0|1,1,0]=4 718 B12R1.106 CC1=CC=C(C=C1)OC(F)(F)F PI-24573 [0,2,0,0,0,0|2,0,0]=4 719 B12R1.106 FC(Oc1ccc(cc1)Br)(F)F PI-16863 [0,2,0,0,0,0|2,0,0]=4 720 B12R1.106 FC(Oc1ccc(cc1)O)(F)F PI-16861 [0,2,0,0,0,0|1,0,0]=3 721 B12R1.106 FC(Sc1ccc(cc1)O)(F)F PI-10470 [0,2,0,0,0,0|1,1,0]=4 722 B12R1.106 NC1=CC=C(OC(F)(Cl)F)C=C1 PI-39680 [0,2,0,0,0,0|2,0,0]=4 723 B12R1.5 CCC(=O)c1ccc(cc1)OC PI-11534 [0,2,0,0,0,0|1,0,0]=3 724 B12R1.5 COC(=O)C1=CC=C(C=C1)CO PI-50464 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.5 COC1=CC=C(C=C1)C(=O)CBr PI-13027 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.5 COC1=CC=C(C=C1)C(=O)CCl PI-30325 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.5 COC1=CC=C(C=C1)C(=O)CN PI-30558 [0,2,0,0,0,0|2,0,0]=4 728 B12R1.5 COC1=CC=C(C=C1)C(=O)CO PI-29587 [0,2,0,0,0,0|2,0,0]=4 729 B12R1.5 COC1=CC=C(C=C1)C(=O)OC PI-31766 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O PI-42642 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.12 CCN(c1ccc(cc1)N)CC PI-28891 [0,2,0,0,0,0|2,0,0]=4 732 B12R1.367 C1=CC(=C(C=C1C(=O)CCl)O)O PI-12891 [0,2,0,0,0,0|2,0,0]=4 733 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O PI-10337 [0,2,0,0,0,0|2,0,0]=4 734 B12R1.367 C1=CC(=C(C=C1C(CO)O)O)O PI-26530 [0,2,0,0,0,0|2,0,0]=4 735 B12R1.367 CCC(=O)C1=CC(=C(C=C1)Cl)Cl PI-12719 [0,2,0,0,0,0|2,0,0]=4 736 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)Br PI-17446 [0,2,0,0,0,0|2,0,0]=4 737 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)F PI-17410 [0,2,0,0,0,0|2,0,0]=4 738 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)O PI-17412 [0,2,0,0,0,0|1,0,0]=3 739 B12R1.367 COC(=O)c1ccc(O)c(C)c1 PI-36002 [0,2,0,0,0,0|2,0,0]=4 740 B12R1.367 COC(=O)c1ccc(O)c(I)c1 PI-36756 [0,2,0,0,0,0|2,0,0]=4 741 B12R1.367 COC(=O)c1ccc(O)c(O)c1 PI-18336 [0,2,0,0,0,0|2,0,0]=4 742 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O PI-30567 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.367 COC(=O)c1ccc(c(c1)N)O PI-39416 [0,2,0,0,0,0|2,0,0]=4 744 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)CBr PI-30376 [0,2,0,0,0,0|2,0,0]=4 745 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)CCl PI-50684 [0,2,0,0,0,0|2,0,0]=4 746 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Cl)Cl PI-17228 [0,2,0,0,0,0|2,0,0]=4 747 B12R1.1703 CCC(=O)c1ccc(cc1F)F PI-28864 [0,2,0,0,0,0|2,0,0]=4 748 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)Cl PI-36171 [0,2,0,0,0,0|2,0,0]=4 749 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)O PI-10048 [0,2,0,0,0,0|2,0,0]=4 750 B12R1.112 CCOC1=C(C=C(C=C1)Br)C=O PI-21406 [0,2,0,0,0,0|1,0,0]=3 751 B12R1.114 CCOC1=C(C=C(C=C1)C=O)F PI-26661 [0,2,0,0,0,0|0,0,1]=3 752 B12R1.544 CCOC1=C(C(=C(C=C1)Br)F)F PI-34508 [0,2,0,0,0,0|1,0,0]=3 753 B12R1.544 OC1=CC=C(OCC)C(F)=C1F PI-39569 [0,2,0,0,0,0|0,0,0]=2 754 B12R1.113 B(C1=CC=C(C=C1)OCC)(O)O PI-29355 [0,2,0,0,0,0|0,0,0]=2 755 B12R1.113 B(C1=CC=C(C=C1)SCC)(O)O PI-25163 [0,2,0,0,0,0|0,1,0]=3 756 B12R1.113 B(C1=CN=C(C=C1)OCC)(O)O PI-25735 [0,2,0,0,0,0|1,0,0]=3 757 B12R1.113 CCCC1=CC=C(C=C1)C(=O)C PI-12355 [0,2,0,0,0,0|1,0,1]=4 758 B12R1.113 CCCc1ccc(cc1)B(O)O PI-28117 [0,2,0,0,0,0|1,0,0]=3 759 B12R1.113 CCOC1=CC=C(C=C1)C(=O)C PI-12228 [0,2,0,0,0,0|0,0,1]=3 760 B12R1.113 CCOC1=CC=C(C=C1)C(=O)Cl PI-25220 [0,2,0,0,0,0|0,0,1]=3 761 B12R1.113 CCOC1=CC=C(C=C1)C(=O)N PI-25676 [0,2,0,0,0,0|0,0,1]=3 762 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O PI-50295 [0,2,0,0,0,0|0,0,0]=2 763 B12R1.113 CCOC1=CC=C(C=C1)[C@@H](C)O PI-49822 [0,2,0,0,0,0|0,0,0]=2 764 B12R1.113 CCOC1=NC=C(C=C1)[N+](=O)[O-] PI-33886 [0,2,0,0,0,0|1,0,1]=4 765 B12R1.113 COCc1ccc(cc1)B(O)O PI-36858 [0,2,0,0,0,0|2,0,0]=4 766 B12R1.116 CCOC1=CC=C(C=C1)CC#N PI-19832 [0,2,0,0,0,0|1,0,0]=3 767 B12R1.116 CCOC1=CC=C(C=C1)N=C=O PI-19444 [0,2,0,0,0,0|0,0,1]=3 768 B12R1.116 CCOC1=CC=C(C=C1)N=C=S PI-22037 [0,2,0,0,0,0|0,1,0]=3 769 B12R1.116 COCc1ccc(cc1)COC PI-31993 [0,2,0,0,0,0|2,0,0]=4 770 B12R1.288 NCCc1ccc(OC)c(O)c1 PI-20793 [0,2,0,0,0,0|2,0,0]=4 771 B12R1.44 CCCC1=CC(=C(C(=C1)Br)N)Br PI-19038 [0,2,0,0,0,0|2,0,0]=4 772 B12R1.286 COC1=C(C=CC(=C1)CCN)O PI-20794 [0,2,0,0,0,0|2,0,0]=4 773 B12R1.286 OCCc1ccc(c(c1)OC)O PI-27378 [0,2,0,0,0,0|2,0,0]=4 774 B10R1.30 CCC1=C(C=CC(=C1)O)O PI-19340 [0,0,1,1,0,0|2,0,0]=4 775 B10R2.31 BrC1=CC2=C(CC2)C=C1 PI-37003 [1,0,0,1,0,0|1,0,0]=3 776 B10R2.31 NC1=CC=C2CCC2=C1 PI-40931 [1,0,0,1,0,0|1,0,0]=3 777 B10R2.31 OC1=CC=C2CCC2=C1 PI-42598 [1,0,0,1,0,0|0,0,0]=2 778 B10R2.6 C1CC1c2ccccc2 PI-17840 [1,0,0,1,0,0|1,0,0]=3 779 B10R2.6 O1C[C@@H]1c2ccccc2 PI-10841 [1,0,0,1,0,0|2,0,0]=4 780 B10R2.6 O1C[C@H]1c2ccccc2 PI-10838 [1,0,0,1,0,0|2,0,0]=4 781 B10R2.7 C12=C(CNC1)C=CC=C2 PI-41113 [1,0,0,1,0,0|2,0,0]=4 782 B10R2.7 C1=CC=C2C(=C1)N=CO2 PI-47002 [1,0,0,1,0,0|1,0,1]=4 783 B10R2.7 C1CC2=C(C1)N=CC=C2 PI-12954 [1,0,0,1,0,0|2,0,0]=4 784 B10R2.7 C1CNC2=CC=CC=C21 PI-44710 [1,0,0,1,0,0|1,0,0]=3 785 B10R2.7 C1COC2=CC=CC=C21 PI-21250 [1,0,0,1,0,0|0,0,0]=2 786 B10R2.7 [B]1OC2=CC=CC=C2O1 PI-50000 [1,0,0,1,0,0|2,0,0]=4 787 B10R2.320 C1C(C2=CC=CC=C21)Br PI-40935 [1,0,0,1,0,0|2,0,0]=4 788 B12R2.24 Brc1ccc2COCCc2c1 PI-36578 [0,1,0,1,0,0|1,0,0]=3 789 B12R2.24 C1CNCC2=C1C=CC(=C2)N PI-17082 [0,1,0,1,0,0|2,0,0]=4 790 B12R2.24 C1COC2=C(N1)C=C(C=C2)O PI-49017 [0,1,0,1,0,0|0,0,0]=2 791 B12R2.24 C1COC2=C(O1)C=CC(=C2)Br PI-28606 [0,1,0,1,0,0|1,0,0]=3 792 B12R2.24 CC1=CC2=C(C=C1)NCCC2 PI-29971 [0,1,0,1,0,0|2,0,0]=4 793 B12R2.24 Cc1ccc2c(c1)CNCC2 PI-39238 [0,1,0,1,0,0|2,0,0]=4 794 B12R2.24 Clc1ccc2c(c1)CCNC2 PI-39220 [0,1,0,1,0,0|2,0,0]=4 795 B12R2.24 Clc1ccc2c(c1)CNCC2 PI-39234 [0,1,0,1,0,0|2,0,0]=4 796 B12R2.24 FC1=CC2=C(CNCC2)C=C1 PI-42588 [0,1,0,1,0,0|2,0,0]=4 797 B12R2.24 Nc1ccc2c(c1)NCCC2 PI-37583 [0,1,0,1,0,0|2,0,0]=4 798 B12R2.24 Nc1ccc2c(c1)OCCO2 PI-33749 [0,1,0,1,0,0|1,0,0]=3 799 B12R2.24 Oc1ccc2c(c1)CCCC2 PI-12597 [0,1,0,1,0,0|1,0,0]=3 800 B12R2.24 Oc1ccc2c(c1)NCCC2 PI-13250 [0,1,0,1,0,0|1,0,0]=3 801 B12R2.132 Brc1ccc2OCC(=O)c2c1 PI-36911 [0,1,0,1,0,0|1,0,1]=4 802 B12R2.132 CC1=COC2=C1C=C(C=C2)O PI-44179 [0,1,0,1,0,0|0,0,1]=3 803 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 PI-37113 [0,1,0,1,0,0|1,0,0]=3 804 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 PI-37330 [0,1,0,1,0,0|1,0,1]=4 805 B12R2.132 Oc1ccc2c(c1)c(C)c[nH]2 PI-36560 [0,1,0,1,0,0|1,0,1]=4 806 B12R2.606 C1C(CC2=C1C=CC(=C2)Br)O PI-42084 [0,1,0,1,0,0|2,0,0]=4 807 B12R2.606 CC1=CC2=C(C=C1)OC(=N2)C PI-28651 [0,1,0,1,0,0|1,0,1]=4 808 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)O PI-27141 [0,1,0,1,0,0|1,0,1]=4 809 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)Cl PI-13544 [0,1,0,1,0,0|1,0,1]=4 810 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)O PI-34999 [0,1,0,1,0,0|0,0,1]=3 811 B12R2.606 NC1CC2=C(C=C(Br)C=C2)C1 PI-42264 [0,1,0,1,0,0|2,0,0]=4 812 B12R2.606 O=C1Nc2c(C1)cc(cc2)O PI-11085 [0,1,0,1,0,0|1,0,1]=4 813 B12R2.606 O=C1Oc2c(C1)cc(cc2)O PI-30406 [0,1,0,1,0,0|0,0,1]=3 814 B12R2.612 C1=C(Br)C=CC2=C1CCC2=O PI-21521 [0,1,0,1,0,0|2,0,0]=4 815 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)O PI-17763 [0,1,0,1,0,0|2,0,0]=4 816 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F PI-16849 [0,1,0,1,0,0|2,0,0]=4 817 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)I PI-32739 [0,1,0,1,0,0|2,0,0]=4 818 B12R2.612 Clc1ccc2C(=O)CCc2c1 PI-31195 [0,1,0,1,0,0|2,0,0]=4 819 B12R2.612 Nc1ccc2C(=O)CCc2c1 PI-14100 [0,1,0,1,0,0|2,0,0]=4 820 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 PI-40563 [0,1,0,1,0,0|2,0,0]=4 821 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 PI-46708 [0,1,0,1,0,0|2,0,0]=4 822 B12R2.612 Oc1ccc2C(=O)CCc2c1 PI-11505 [0,1,0,1,0,0|1,0,0]=3 823 B12R2.246 C1COC2=C1C=C(C=C2F)F PI-21162 [0,1,0,1,0,0|1,0,0]=3 824 B12R2.44 C#Cc1ccc2c(c1)OCO2 PI-38731 [0,1,0,1,0,0|2,0,0]=4 825 B12R2.44 C1=CC2=C(C=CO2)C=C1CO PI-19435 [0,1,0,1,0,0|0,0,2]=4 826 B12R2.44 C1COC2=C1C=C(C=C2)C=O PI-21253 [0,1,0,1,0,0|0,0,1]=3 827 B12R2.44 C1COC2=C1C=C(C=C2)CN PI-17657 [0,1,0,1,0,0|1,0,0]=3 828 B12R2.44 C1COC2=C1C=C(C=C2)CO PI-19102 [0,1,0,1,0,0|0,0,0]=2 829 B12R2.44 C1OC2=C(O1)C=C(C=C2)CCl PI-32417 [0,1,0,1,0,0|2,0,0]=4 830 B12R2.44 C=CC1=CC2=C(C=C1)OCO2 PI-49743 [0,1,0,1,0,0|2,0,0]=4 831 B12R2.44 COC1=CC2=C(C=C1)NCC2 PI-36188 [0,1,0,1,0,0|1,0,0]=3 832 B12R2.44 COC1=CC2=C(CNC2)C=C1 PI-48286 [0,1,0,1,0,0|2,0,0]=4 833 B12R2.44 COc1ccc2c(c1)cco2 PI-17717 [0,1,0,1,0,0|0,0,2]=4 834 B12R2.44 N#Cc1ccc2c(c1)OCO2 PI-12788 [0,1,0,1,0,0|2,0,0]=4 835 B12R2.44 OCc1ccc2OCOc2c1 PI-32416 [0,1,0,1,0,0|1,0,0]=3 836 B12R2.100 Fc1cc2NCCc2cc1F PI-36132 [0,1,0,1,0,0|2,0,0]=4 837 B8R1.8 CCOC1=NC=CS1 PI-11123 [1,0,0,0,1,0|2,0,0]=4