0 B12R1.286 CC1=C(C=C(C=C1)CC#N)OC PI-35269 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.286 COC1=C(C=CC(=C1)C=NO)O PI-27429 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.286 COC1=C(C=CC(=C1)CCN)Br PI-48277 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.286 COC1=C(C=CC(=C1)CCN)O PI-20794 [0,0,0,0,0,0|1,0,1]=2 4 B12R1.286 OCCc1ccc(c(c1)OC)O PI-27378 [0,0,0,0,0,0|1,0,1]=2 5 B11R1.189 COC1=CC=CC(=C1)N=C=O PI-11427 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.189 COC1=CC=CC(=C1)N=C=S PI-46943 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.189 N#CCc1cccc(c1)OC PI-11344 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.189 NCCc1cccc(OC)c1 PI-31712 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.192 C1=CC(=C(C=C1C=NO)O)O PI-27491 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.192 C1=CC(=C(C=C1CCO)O)O PI-27061 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.192 C=CCC1=CC(=C(C=C1)O)O PI-41465 [1,0,0,0,0,0|0,0,0]=1 12 B11R1.192 C=CCc1ccc(F)c(C)c1 PI-23775 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.192 NCCc1ccc(c(c1)C)C PI-23900 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.280 C1=CC(=C(C=C1C=O)C=O)O PI-27490 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.280 C1=CC(=C(C=C1CCl)C=O)O PI-27376 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.280 C1=CC(=CC(=C1C)OC)C=O PI-10103 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.280 CCC1=CC(=C(C=C1)Br)OC PI-48437 [1,0,0,0,0,0|1,0,1]=3 18 B11R1.280 CCC1=CC(=C(C=C1)O)C=O PI-26703 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.280 CCC1=CC(=C(C=C1)O)OC PI-12830 [1,0,0,0,0,0|0,0,1]=2 20 B11R1.280 COC1=C(C=CC(=C1)C#N)F PI-10706 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.280 COC1=C(C=CC(=C1)NN)F PI-50686 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.280 COC1=CC(=C(C=C1)I)OC PI-23241 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.280 COc1cc(C#N)ccc1O PI-29016 [1,0,0,0,0,0|1,0,1]=3 24 B11R1.280 COc1cc(C=O)ccc1F PI-28101 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.280 COc1cc(C=O)ccc1O PI-34109 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.280 COc1ccc(F)c(OC)c1 PI-23228 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.280 COc1ccc(S)c(OC)c1 PI-23358 [1,0,0,0,0,0|1,1,1]=4 28 B11R1.280 COc1ccc(c(c1)OC)Br PI-21375 [1,0,0,0,0,0|2,0,1]=4 29 B13R1.49 CCC(=O)C1=CC(OC)=C(O)C=C1 PI-12814 [0,1,0,0,0,0|0,0,3]=4 30 B13R1.49 COC(=O)c1ccc(O)c(OC)c1 PI-18519 [0,1,0,0,0,0|1,0,2]=4 31 B13R1.49 COC1=C(C=CC(=C1)C(=O)NN)O PI-50379 [0,1,0,0,0,0|2,0,1]=4 32 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)O PI-28359 [0,1,0,0,0,0|1,0,0]=2 33 B13R1.52 COc1cc(ccc1O)CC(=O)C PI-31129 [0,1,0,0,0,0|0,0,1]=2 34 B13R1.386 C=CCc1ccc(c(c1)OC)OC PI-33038 [0,1,0,0,0,0|0,0,0]=1 35 B13R1.386 COC1=C(C=C(C=C1)CCO)OC PI-27888 [0,1,0,0,0,0|1,0,1]=3 36 B13R1.386 COC1=C(C=C(C=C1)N=C=S)OC PI-23295 [0,1,0,0,0,0|2,0,1]=4 37 B13R1.386 N#CCc1ccc(c(c1)OC)OC PI-32022 [0,1,0,0,0,0|1,0,1]=3 38 B13R1.386 NCCc1ccc(OC)c(OC)c1 PI-32364 [0,1,0,0,0,0|1,0,1]=3 39 B13R1.575 CCOCC1=CC(=C(C=C1)O)OC PI-48477 [0,1,0,0,0,0|0,0,2]=3 40 B13R1.575 COC1=C(C=CC(=C1)C=CCO)O PI-19634 [0,1,0,0,0,0|0,0,2]=3 41 B13R1.4030 COC1=C(C(=CC(=C1)CC#N)Br)O PI-21511 [0,1,0,0,0,0|1,0,1]=3 42 B13R2.449 BrCCc1ccc2OCCc2c1 PI-31501 [0,0,0,1,0,0|2,0,1]=4 43 B13R2.449 C1OC2=C(O1)C=C(C=C2)CCO PI-26779 [0,0,0,1,0,0|1,0,1]=3 44 B13R2.449 CCNC1=CC2=C(C=C1)OCO2 PI-12265 [0,0,0,1,0,0|1,0,2]=4 45 B13R2.449 O\N=C\C1=CC=C2OCOC2=C1 PI-27329 [0,0,0,1,0,0|2,0,1]=4 46 B10R1.10 BrCCc1cccc(C)c1 PI-21424 [2,0,0,0,0,0|1,0,1]=4 47 B10R1.10 C1=CC(=CC(=C1)O)CCN PI-12399 [2,0,0,0,0,0|1,0,1]=4 48 B10R1.10 C1=CC(=CC(=C1)O)CCO PI-48194 [2,0,0,0,0,0|1,0,1]=4 49 B10R1.172 C=Cc1cccc(c1)C=O PI-27316 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.172 COC1=CC(=CC=C1)OC PI-35273 [2,0,0,0,0,0|1,0,1]=4 51 B10R1.172 COC1=CC(=NC=C1)CN PI-50083 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.172 COC1=CC=CC(=C1)C#N PI-31072 [2,0,0,0,0,0|1,0,1]=4 53 B10R1.172 COC1=CC=CC(=C1)CBr PI-49400 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.172 COC1=CC=CC(=C1)CN PI-31714 [2,0,0,0,0,0|1,0,0]=3 55 B10R1.172 COC1=CC=CC(=C1)NN PI-29546 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.172 COc1cccc(c1)C=O PI-32570 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.172 COc1cccc(n1)C=O PI-26723 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.172 COc1nccc(c1)CO PI-39370 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.172 ClCc1cccc(c1)OC PI-32021 [2,0,0,0,0,0|1,0,0]=3 60 B10R1.172 O=CC1=CC(OC)=CN=C1 PI-37016 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.172 OCc1cccc(c1)OC PI-31272 [2,0,0,0,0,0|1,0,0]=3 62 B10R1.1 BrCCc1ccc(cc1)O PI-19128 [2,0,0,0,0,0|1,0,1]=4 63 B10R1.1 C1=CC(=CC=C1CCO)O PI-29634 [2,0,0,0,0,0|1,0,1]=4 64 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [2,0,0,0,0,0|0,0,2]=4 65 B10R1.1 N#CCC1=CC=C(O)C=C1 PI-11988 [2,0,0,0,0,0|1,0,1]=4 66 B10R1.1 NCCc1ccc(O)cc1 PI-16006 [2,0,0,0,0,0|1,0,1]=4 67 B10R1.1 NCCc1ccc(O)cc1 PI-16007 [2,0,0,0,0,0|1,0,1]=4 68 B10R1.176 BrCc1ccc(F)c(C)c1 PI-23754 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.176 C1=CC(=C(C=C1C=O)Br)O PI-18445 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.176 C1=CC(=C(C=C1C=O)Cl)O PI-20127 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.176 C1=CC(=C(C=C1C=O)F)O PI-28509 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.176 C1=CC(=C(C=C1C=O)O)I PI-27146 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.176 C1=CC(=C(C=C1CO)O)I PI-45003 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.176 C1=CC(=C(C=C1CO)O)O PI-19526 [2,0,0,0,0,0|1,0,0]=3 75 B10R1.176 CC1=C(C=C(C=C1)C=O)C PI-11614 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.176 CC1=C(C=C(C=C1)CCl)C PI-23827 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.176 CC1=C(C=C(C=C1)CN)C PI-33680 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.176 CC1=C(C=CC(=C1)C=O)F PI-28124 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.176 CC1=C(C=CC(=C1)C=O)O PI-18215 [2,0,0,0,0,0|1,0,0]=3 80 B10R1.176 CCc1ccc(c(c1)O)O PI-19057 [2,0,0,0,0,0|0,0,1]=3 81 B10R1.176 NCc1ccc(c(c1)O)O PI-30190 [2,0,0,0,0,0|1,0,0]=3 82 B10R1.176 O=CC1=CC=C(O)C(I)=C1 PI-27762 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.176 O=Cc1ccc(O)c(O)c1 PI-10046 [2,0,0,0,0,0|1,0,0]=3 84 B10R1.176 O=Cc1ccc(c(c1)O)C PI-27720 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.30 BrC1=C(C=C(C=C1)Cl)OC PI-41885 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.30 CC1=C(C=C(C=C1)Cl)OC PI-10564 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.30 CC1=CC=C(O)C(CC)=N1 PI-33202 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.30 CC1=NC(=C(C=C1)F)OC PI-34436 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.30 CCC1=C(C=CC(=C1)O)O PI-19340 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.30 COC1=C(C=CC(=C1)Br)N PI-44941 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.30 COC1=C(C=CC(=C1)Cl)Cl PI-21000 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.30 COC1=C(C=CC(=C1)Cl)N PI-11332 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.30 COC1=C(C=CC(=C1)F)Br PI-21434 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.30 COC1=C(C=CC(=C1)F)F PI-12727 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.30 COC1=C(C=CC(=C1)N)Br PI-33359 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.30 COC1=C(C=CC(=C1)N)Cl PI-34236 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.30 COC1=C(C=CC(=C1)N)F PI-10622 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.30 COC1=C(O)C=CC(F)=C1 PI-27601 [2,0,0,0,0,0|1,0,0]=3 99 B10R1.30 COc1cc(Br)ccc1Cl PI-14389 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.30 COc1cc(Br)ccc1F PI-34341 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.30 FC1=CC(=C(N)C=C1)OC PI-39749 [2,0,0,0,0,0|2,0,0]=4 102 B10R1.30 O=Cc1cc(C)ccc1O PI-10857 [2,0,0,0,0,0|2,0,0]=4 103 B10R1.30 OC1=CC=C(C)N=C1CC PI-40313 [2,0,0,0,0,0|2,0,0]=4 104 B12R1.280 C=CCC1=C(C(=CC=C1)C=O)O PI-27382 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.280 COC1=CC=CC(=C1O)CC#N PI-20796 [1,1,0,0,0,0|1,0,1]=4 106 B12R1.438 COC1=CC=CC(=C1)CC(=O)O PI-15442 [1,1,0,0,0,0|1,0,0]=3 107 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Br)O PI-10051 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)O PI-30493 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.19 OC(=O)Cc1ccc(O)c(O)c1 PI-26031 [1,1,0,0,0,0|1,0,0]=3 110 B12R1.19 OC(=O)Cc1ccc(c(c1)F)O PI-30640 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.288 C=CCc1ccc(OC)c(F)c1 PI-23724 [1,1,0,0,0,0|1,0,0]=3 112 B12R1.288 NCCc1ccc(OC)c(O)c1 PI-20793 [1,1,0,0,0,0|1,0,1]=4 113 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O PI-10337 [1,1,0,0,0,0|1,0,1]=4 114 B12R1.367 C1=CC(=C(C=C1C(CO)O)O)O PI-26530 [1,1,0,0,0,0|1,0,1]=4 115 B12R1.56 CC(=O)C1=CC(=C(C=C1)F)OC PI-30823 [1,1,0,0,0,0|1,0,1]=4 116 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F PI-34251 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O PI-27481 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.56 COc1cc(ccc1Br)C(=O)O PI-35857 [1,1,0,0,0,0|2,0,0]=4 119 B12R1.56 COc1cc(ccc1Cl)C(=O)O PI-27953 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.56 COc1cc(ccc1N)C(=O)O PI-30375 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.56 COc1cc(ccc1O)C(=O)O PI-31895 [1,1,0,0,0,0|1,0,0]=3 122 B12R1.56 O=C(C1=CC=C(O)C(OC)=C1)C PI-46830 [1,1,0,0,0,0|0,0,1]=3 123 B12R1.56 O=C(O)C1=CC=C(C)C(OC)=C1 PI-10102 [1,1,0,0,0,0|2,0,0]=4 124 B12R1.78 C1=C(C(=CC=C1OC)OC)OC PI-15328 [1,1,0,0,0,0|1,0,1]=4 125 B12R1.78 COC1=C(C=C(C=C1)C#N)OC PI-34357 [1,1,0,0,0,0|1,0,1]=4 126 B12R1.78 COC1=C(C=C(C=C1)C=C)OC PI-46940 [1,1,0,0,0,0|0,0,0]=2 127 B12R1.78 COC1=C(C=C(C=C1)CN)OC PI-21287 [1,1,0,0,0,0|1,0,0]=3 128 B12R1.78 COc1cc(C#C)ccc1OC PI-30615 [1,1,0,0,0,0|0,0,2]=4 129 B12R1.78 COc1cc(CCl)ccc1OC PI-32020 [1,1,0,0,0,0|1,0,0]=3 130 B12R1.78 COc1cc(OC)ccc1CO PI-29889 [1,1,0,0,0,0|1,0,1]=4 131 B12R1.78 COc1cc(SC)ccc1OC PI-23352 [1,1,0,0,0,0|1,0,1]=4 132 B12R1.78 COc1cc([N+]#[C-])ccc1OC PI-23292 [1,1,0,0,0,0|1,0,1]=4 133 B12R1.300 COC1=C(C(=CC(=C1)C=O)Br)O PI-18444 [1,1,0,0,0,0|1,0,0]=3 134 B12R1.300 COC1=C(C(=CC(=C1)C=O)I)O PI-27693 [1,1,0,0,0,0|1,0,0]=3 135 B12R1.300 COC1=CC(=CC(=C1O)O)C=O PI-18518 [1,1,0,0,0,0|1,0,0]=3 136 B12R1.300 COc1cc(C=O)cc(Cl)c1O PI-27306 [1,1,0,0,0,0|1,0,0]=3 137 B12R1.300 COc1cc(C=O)cc(F)c1O PI-27919 [1,1,0,0,0,0|1,0,0]=3 138 B12R1.449 COC1=C(C=C(C(=C1)C=O)Br)O PI-27776 [1,1,0,0,0,0|1,0,0]=3 139 B12R1.449 COC1=C(C=C(C(=C1)C=O)F)Cl PI-48251 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.453 CCC1=CC(=C(C=C1)O)C(=O)C PI-29391 [1,1,0,0,0,0|1,0,1]=4 141 B14R1.41 COC1=C(C=CC(=C1)C(C(=O)O)O)O PI-27381 [0,2,0,0,0,0|1,0,0]=3 142 B14R1.343 COc1cc(CC(=O)O)cc(Br)c1O PI-21510 [0,2,0,0,0,0|1,0,0]=3 143 B14R1.439 CCOc1cc(ccc1O)CC(=O)O PI-26915 [0,2,0,0,0,0|1,0,0]=3 144 B14R1.3651 CC(=O)CC1=CC(=C(C=C1)OC)OC PI-12160 [0,2,0,0,0,0|0,0,1]=3 145 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)Cl)OC PI-30039 [0,2,0,0,0,0|1,0,0]=3 146 B14R1.3651 COC1=C(C=C(C=C1)CC(=S)N)OC PI-23351 [0,2,0,0,0,0|1,0,0]=3 147 B14R1.3651 COC1=C(C=C(C=C1)N=C(N)N)OC PI-47268 [0,2,0,0,0,0|2,0,0]=4 148 B14R1.3651 COc1cc(ccc1OC)CC(=O)O PI-32560 [0,2,0,0,0,0|1,0,0]=3 149 B14R1.793 CNCCC1=CC(=C(C=C1)OC)OC PI-32917 [0,2,0,0,0,0|0,0,2]=4 150 B14R1.793 COC1=C(C=C(C=C1)CN=C=S)OC PI-23206 [0,2,0,0,0,0|1,0,1]=4 151 B14R1.14946 COC1=C(C=C(C(=C1)CC#N)Br)OC PI-21661 [0,2,0,0,0,0|1,0,1]=4 152 B14R1.42 CC(CCC1=CC=C(O)C(OC)=C1)=O PI-41587 [0,2,0,0,0,0|0,0,1]=3 153 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)O)F PI-10642 [0,2,0,0,0,0|1,0,1]=4 154 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)[O-])O PI-45839 [0,2,0,0,0,0|0,0,1]=3 155 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O PI-29066 [0,2,0,0,0,0|0,0,1]=3 156 B14R1.42 COc1cc(\C=C/C(=O)O)ccc1O PI-10204 [0,2,0,0,0,0|0,0,1]=3 157 B14R1.3236 COC1=CC(=CC(=C1O)C=O)CC=C PI-26324 [0,2,0,0,0,0|0,0,0]=2 158 B14R1.3236 COC1=CC(=CC(=C1O)OC)CC#N PI-23239 [0,2,0,0,0,0|1,0,1]=4 159 B14R1.3236 COC1=CC(=CC(=C1O)OC)CCN PI-23237 [0,2,0,0,0,0|1,0,1]=4 160 B14R1.3236 COc1cc(CC=C)cc(c1O)OC PI-29836 [0,2,0,0,0,0|0,0,0]=2 161 B12R2.44 COC1=CC2=C(C=C1)N=CS2 PI-45370 [1,0,0,1,0,0|2,0,0]=4 162 B12R2.44 COC1=CC2=C(C=C1)NCC2 PI-36188 [1,0,0,1,0,0|1,0,1]=4 163 B12R2.44 COC1=CC2=C(CNC2)C=C1 PI-48286 [1,0,0,1,0,0|1,0,1]=4 164 B12R2.44 COc1ccc2[nH]ccc2c1 PI-20326 [1,0,0,1,0,0|1,0,1]=4 165 B12R2.44 COc1ccc2c(c1)[nH]cc2 PI-22794 [1,0,0,1,0,0|1,0,0]=3 166 B12R2.44 COc1ccc2c(c1)cco2 PI-17717 [1,0,0,1,0,0|1,0,1]=4 167 B12R2.44 COc1ncc2c(c1)[nH]cc2 PI-36959 [1,0,0,1,0,0|2,0,0]=4 168 B12R2.315 COC1=CC=CC2=C1C=CN2 PI-16821 [1,0,0,1,0,0|1,0,0]=3 169 B12R2.315 COC1=CC=CC2=C1NC=C2 PI-16822 [1,0,0,1,0,0|1,0,1]=4 170 B12R2.315 COC1=CC=CC2=C1NCC2 PI-35812 [1,0,0,1,0,0|1,0,1]=4 171 B12R2.315 COC1=CC=CC2=C1OC=C2 PI-19860 [1,0,0,1,0,0|1,0,1]=4 172 B12R2.100 Oc1cc2[nH]ccc2cc1O PI-41466 [1,0,0,1,0,0|1,0,0]=3 173 B14R2.1008 ClC(=O)Cc1ccc2OCOc2c1 PI-14793 [0,1,0,1,0,0|1,0,0]=3 174 B14R2.1008 OC(=O)Cc1ccc2c(c1)OCO2 PI-26528 [0,1,0,1,0,0|1,0,0]=3 175 B14R2.82 COC1=C(C=C2C(=C1)NC=N2)OC PI-21285 [0,1,0,1,0,0|2,0,0]=4 176 B14R2.82 COc1cc2NCCc2cc1OC PI-36005 [0,1,0,1,0,0|1,0,1]=4 177 B14R2.82 COc1cc2[nH]ccc2cc1OC PI-23240 [0,1,0,1,0,0|1,0,0]=3 178 B14R2.1238 COC1=C(C2=C(C=C1)C=CN2)OC PI-45743 [0,1,0,1,0,0|1,0,1]=4