0 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 C1=CC=C(C=C1)CC(CN)N PI-19951 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.40 C1=CC=C(C=C1)NC(=S)NN PI-29671 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.40 CNC(=S)Nc1ccccc1 PI-24288 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.40 CNC(=S)Nc1ccccc1 PI-30591 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.40 COC(=O)CC1=CC=CC=N1 PI-48279 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.40 OC[C@@H](Cc1ccccc1)N PI-16474 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.40 OC[C@H](Cc1ccccc1)N PI-16635 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.17 C1=CC(=CN=C1)CCCO PI-33814 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 C1=CC=C(C=C1)CN=C=S PI-28698 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 C=CCOc1ccccc1 PI-36466 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.17 CNCCc1ccncc1 PI-12002 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.17 ClCCCc1ccccc1 PI-33374 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.17 ClCSCc1ccccc1 PI-19537 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.17 N#CSCc1ccccc1 PI-32979 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.17 NCCCc1ccccc1 PI-11351 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.17 OCCCc1ccccn1 PI-33813 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.17 OCCCc1ccncc1 PI-31736 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.17 [NH-]=[N+]=NCc1ccccc1 PI-14174 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [1,0,0,0,0,0|0,0,2]=3 37 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.18 CC(Cc1ccccn1)C PI-13337 [1,0,0,0,0,0|1,0,0]=2 43 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [1,0,0,0,0,0|2,0,1]=4 44 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [0,1,0,0,0,0|2,0,1]=4 45 B12R1.32 CN(CC#C)CC1=CC=CC=C1 PI-28358 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.32 COCC(CC1=CC=CC=C1)N PI-19806 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.34 C1=CC=C(C=C1)C(C(=O)NN)O PI-50234 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.34 CC(C1=CC=CC=C1)C(=O)OC PI-50499 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.34 COC(=O)C(C1=CC=CC=C1)Cl PI-12504 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31834 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31835 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.34 COC(=O)[C@H](c1ccccc1)N PI-13398 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-41047 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-42203 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-10517 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-46947 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.43 CC(Oc1ccccc1)C(=O)O PI-32598 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.43 CN(C(=O)NC1=CC=CC=C1)O PI-20818 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 PI-31261 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 PI-28788 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.49 C1=CC(=CC=C1CC(=O)NN)Cl PI-50326 [0,1,0,0,0,0|2,0,1]=4 62 B12R1.49 C1=CC(=CC=C1CC(=O)NN)F PI-50267 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.49 C1=CC(=CC=C1CC(=O)NN)O PI-50261 [0,1,0,0,0,0|2,0,1]=4 64 B12R1.49 CC1=CC=C(C=C1)CC(=O)NN PI-50599 [0,1,0,0,0,0|2,0,1]=4 65 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PI-50433 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl PI-13010 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.49 COC(=O)CC1=CC=C(C=C1)F PI-50441 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.49 COC(=O)CC1=CC=C(C=C1)N PI-50506 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.49 COC(=O)CC1=CC=C(C=C1)O PI-11994 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.49 COC(=O)Cc1ccc(cc1)C PI-12770 [0,1,0,0,0,0|2,0,1]=4 71 B12R1.50 C1=CC(=CC(=C1)Cl)CC(=O)NN PI-50254 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.50 CC1=CC(=CC=C1)CC(=O)OC PI-50501 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.50 CNC(=O)CC1=CC(=CC=C1)N PI-36757 [0,1,0,0,0,0|1,0,1]=3 74 B12R1.50 COC(=O)CC1=CC(=CC=C1)Br PI-50496 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.50 COC(=O)CC1=CC(=CC=C1)F PI-50484 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.50 COC(=O)CC1=CC(=CC=C1)N PI-50434 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.50 COC(=O)CC1=CC(=CC=C1)N PI-50508 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.50 COC(=O)CC1=CC(=CC=C1)O PI-50436 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.50 COC(=O)Cc1cccc(Cl)c1 PI-30683 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.118 OCC(CO)Cc1ccccc1 PI-24129 [0,1,0,0,0,0|2,0,0]=3 81 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)Cl PI-50255 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)F PI-50405 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.371 CC1=CC=CC=C1CC(=O)OC PI-50422 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.371 COC(=O)CC1=CC=CC=C1Cl PI-30731 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.371 COC(=O)CC1=CC=CC=C1F PI-30730 [0,1,0,0,0,0|2,0,1]=4 86 B12R1.371 COC(=O)CC1=CC=CC=C1O PI-50540 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.371 COC(=O)Cc1ccccc1Br PI-26756 [0,1,0,0,0,0|2,0,1]=4 88 B12R2.18 C1C(C(=O)C2=CC=CC=C21)Br PI-30227 [0,0,0,1,0,0|3,0,0]=4 89 B12R2.18 C1C(C(C2=CC=CC=C21)O)Br PI-14453 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.18 CC1C(NC2=CC=CC=C12)C PI-44123 [0,0,0,1,0,0|2,0,0]=3 91 B12R2.18 CC1N(N)C2=C(C=CC=C2)C1 PI-36643 [0,0,0,1,0,0|1,0,0]=2 92 B12R2.18 CN1C2=CC=CC=C2N=C1N PI-30188 [0,0,0,1,0,0|2,0,1]=4 93 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [0,0,0,1,0,0|2,0,1]=4 94 B12R2.18 Cn1c(C)cc2c1cccc2 PI-11083 [0,0,0,1,0,0|0,0,2]=3 95 B12R2.18 NN1C(C)Cc2ccccc12 PI-16793 [0,0,0,1,0,0|1,0,0]=2 96 B12R2.18 N[C@@H]1[C@H](O)Cc2ccccc12 PI-10570 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.18 N[C@H]1[C@@H](O)Cc2c1cccc2 PI-10847 [0,0,0,1,0,0|3,0,0]=4 98 B12R2.24 C1CC2=CC=CC=C2CC1N PI-35442 [0,0,0,1,0,0|2,0,0]=3 99 B12R2.24 C1CC2=CC=CC=C2CC1O PI-18640 [0,0,0,1,0,0|2,0,0]=3 100 B12R2.24 C1CC2=CC=CC=C2C[C@@H]1N PI-48325 [0,0,0,1,0,0|2,0,0]=3 101 B12R2.24 C1CC2=CC=CC=C2C[C@H]1N PI-48324 [0,0,0,1,0,0|2,0,0]=3 102 B12R2.24 CC1CCC2=CC=CC=C2N1 PI-33332 [0,0,0,1,0,0|2,0,0]=3 103 B12R2.24 NC1CNc2ccccc2C1 PI-36230 [0,0,0,1,0,0|3,0,0]=4 104 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [0,0,0,1,0,0|2,0,1]=4 105 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [0,0,0,1,0,0|2,0,1]=4 106 B12R2.32 C1C(=NO)CC2=CC=CC=C21 PI-13702 [0,0,0,1,0,0|1,0,2]=4 107 B12R2.32 CCC1=CC2=CC=CC=C2C1 PI-29198 [0,0,0,1,0,0|1,0,2]=4 108 B12R2.32 CNC1CC2=CC=CC=C2C1 PI-42263 [0,0,0,1,0,0|0,0,0]=1 109 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [0,0,0,0,1,0|2,0,1]=4 110 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [0,0,0,0,1,0|3,0,0]=4 111 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [0,0,0,0,1,0|3,0,0]=4 112 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [0,0,0,0,1,0|3,0,0]=4 113 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [0,0,0,0,1,0|3,0,0]=4 114 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [0,0,0,0,1,0|3,0,0]=4 115 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [0,0,0,0,1,0|1,0,2]=4 116 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [0,0,0,0,1,0|0,0,0]=1 117 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [0,0,0,0,1,0|2,0,0]=3 118 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [0,0,0,0,1,0|2,0,0]=3 119 B10R1.15 CCC(O)c1ccccc1 PI-31770 [0,0,0,0,1,0|2,0,0]=3 120 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [0,0,0,0,1,0|2,0,0]=3 121 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [0,0,0,0,1,0|3,0,0]=4 122 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [0,0,0,0,1,0|2,0,0]=3 123 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [0,0,0,0,1,0|2,0,0]=3 124 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [0,0,0,0,1,0|2,0,0]=3 125 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [0,0,0,0,1,0|1,0,1]=3 126 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [0,0,0,0,1,0|2,0,1]=4 127 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [0,0,0,0,1,0|2,0,0]=3 128 B10R1.15 NCC(O)c1ccccc1 PI-17268 [0,0,0,0,1,0|3,0,0]=4 129 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [0,0,0,0,1,0|3,0,0]=4 130 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [0,0,0,0,1,0|3,0,0]=4 131 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [0,0,0,0,1,0|3,0,0]=4 132 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [0,0,0,0,1,0|3,0,0]=4 133 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [0,0,0,0,1,0|3,0,0]=4 134 B12R1.27 C1=CC=C(C=C1)CCC(=O)NN PI-50331 [0,0,0,0,0,1|2,0,1]=4 135 B12R1.27 C1=CC=C(C=C1)COC(=O)NN PI-13115 [0,0,0,0,0,1|2,0,1]=4 136 B12R1.27 C1=CC=C(C=C1)OCC(=O)NN PI-50252 [0,0,0,0,0,1|2,0,1]=4 137 B12R1.27 C1=CC=C(C=C1)OCC(CO)O PI-33776 [0,0,0,0,0,1|3,0,0]=4 138 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [0,0,0,0,0,1|2,0,1]=4 139 B12R1.27 CNC(=S)NCC1=CC=CC=C1 PI-28336 [0,0,0,0,0,1|1,0,1]=3 140 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [0,0,0,0,0,1|2,0,1]=4 141 B12R1.27 C[C@@H](NCC1=CC=CC=C1)CO PI-36948 [0,0,0,0,0,1|2,0,0]=3 142 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [0,0,0,0,0,1|2,0,1]=4 143 B9R0.45 CCCC\C=C\C=C\C=O PI-48531 [1,0,1,0,0,0|2,0,0]=4 144 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [2,0,0,0,0,0|1,0,0]=3 146 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [2,0,0,0,0,0|1,0,0]=3 147 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [2,0,0,0,0,0|1,0,0]=3 148 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [2,0,0,0,0,0|1,0,0]=3 149 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [2,0,0,0,0,0|1,0,0]=3 150 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [2,0,0,0,0,0|0,0,2]=4 151 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [2,0,0,0,0,0|0,0,2]=4 152 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [2,0,0,0,0,0|1,0,0]=3 153 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [2,0,0,0,0,0|1,0,0]=3 155 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [2,0,0,0,0,0|1,0,0]=3 158 B9R1.8 COCC1=CC=CC=C1 PI-19695 [2,0,0,0,0,0|1,0,0]=3 159 B9R1.8 COCc1ccccn1 PI-38670 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [2,0,0,0,0,0|0,0,2]=4 161 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [2,0,0,0,0,0|0,0,2]=4 162 B9R1.8 NCCc1cccnc1 PI-23439 [2,0,0,0,0,0|1,0,0]=3 163 B9R1.8 NCCc1ccncc1 PI-15907 [2,0,0,0,0,0|1,0,0]=3 164 B9R1.8 NOCc1ccccc1 PI-11329 [2,0,0,0,0,0|1,0,0]=3 165 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [2,0,0,0,0,0|1,0,0]=3 167 B11R1.1 C1=CC(=CC=C1CCC#N)Br PI-22541 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.1 C1=CC(=CC=C1CCC=O)F PI-45774 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.1 C1=CC(=CC=C1CCCO)Cl PI-20215 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.1 C1=CC(=CC=C1CCCO)O PI-46961 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.1 CC1=CC=C(C=C1)CCC=C PI-50176 [1,1,0,0,0,0|1,0,1]=4 172 B11R1.1 CCCCC1=CC=C(C=C1)C PI-19171 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.1 CCCCC1=CC=C(C=C1)O PI-11971 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.1 CCCC[N+]1=CC=C(C=C1)C PI-17144 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.1 CCCCc1ccc(Br)cc1 PI-30595 [1,1,0,0,0,0|1,0,0]=3 176 B11R1.1 CCCOC1=CC=C(C=C1)Br PI-30574 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.1 CCCOc1ccc(cc1)O PI-16211 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.1 CNCCC1=CC=C(C=C1)O PI-43105 [1,1,0,0,0,0|0,0,0]=2 179 B11R1.1 COCCc1ccc(O)cc1 PI-12149 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.1 OC1=CC=C(CCC#N)C=C1 PI-11502 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.1 OCCCc1ccc(cc1)Br PI-39007 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.1 [C-]#[N+]CCc1ccc(Br)cc1 PI-22265 [1,1,0,0,0,0|0,0,2]=4 183 B11R1.1 [C-]#[N+]CCc1ccc(F)cc1 PI-23814 [1,1,0,0,0,0|0,0,2]=4 184 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30207 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30952 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-45013 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19327 [1,1,0,0,0,0|1,0,0]=3 188 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19763 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.16 CNOC(=O)C1=CC=CC=C1 PI-46922 [1,1,0,0,0,0|1,0,1]=4 190 B11R1.16 COCC(=O)c1ccccc1 PI-11856 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.16 ClCC[C@@H](c1ccccc1)O PI-12073 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.16 ClCC[C@H](c1ccccc1)O PI-12074 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.17 [C-]#[N+]CCc1ccccc1F PI-23812 [1,1,0,0,0,0|0,0,2]=4 194 B11R1.24 COCOC1=CC(=CC=C1)Br PI-43270 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.24 N#CCCc1cccc(c1)Br PI-22540 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.28 C1=CC=C(C=C1)CCCCBr PI-13248 [1,1,0,0,0,0|1,0,0]=3 197 B11R1.28 C1=CC=C(C=C1)CCCCO PI-12011 [1,1,0,0,0,0|1,0,0]=3 198 B11R1.28 C1=CC=C(C=C1)COCCCl PI-19195 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.28 C1=CC=C(C=C1)NCCCO PI-46938 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.28 C1=CC=C(C=C1)OCCCBr PI-32239 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.28 C1=CN=CC=C1CCCCCl PI-33973 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.28 CCCCCC1=CC=CC=C1 PI-12353 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.28 CCCCCC1=CC=CC=N1 PI-13331 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.28 CCOCCC1=CC=CC=N1 PI-19391 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.28 NCCOCc1ccccc1 PI-36880 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.28 OCCOCc1ccccc1 PI-24526 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.28 OCCSCc1ccccc1 PI-20759 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.91 CC(CCC1=CC=CC=C1)N PI-33450 [1,1,0,0,0,0|1,0,0]=3 210 B11R1.91 CN(C)N=CC1=CC=CC=C1 PI-26056 [1,1,0,0,0,0|1,0,1]=4 211 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [1,1,0,0,0,0|1,0,0]=3 212 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [1,1,0,0,0,0|1,0,0]=3 213 B11R1.91 OB(O)CCc1ccccc1 PI-25460 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.91 [O-][N+](=O)CCc1ccccc1 PI-35182 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [1,1,0,0,0,0|1,0,1]=4 217 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [1,1,0,0,0,0|1,0,1]=4 218 B11R1.20 CC(C)CC1=CC=C(C=C1)Br PI-13179 [1,1,0,0,0,0|0,0,0]=2 219 B11R1.20 CC(C)NC1=CC=C(C=C1)F PI-42945 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.20 CC(C)OC1=CC=C(C=C1)N PI-28808 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.36 CC(C(=O)C1=CC=CC=C1)Cl PI-12863 [1,1,0,0,0,0|1,0,1]=4 222 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [1,1,0,0,0,0|1,0,1]=4 223 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [1,1,0,0,0,0|1,0,1]=4 224 B11R1.86 CC1=NC=CN=C1CC(C)C PI-48497 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.86 NC1=CC=CC=C1SC(C)C PI-40822 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.157 CC(=O)Cc1cccc(c1)Br PI-38558 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.157 CC(C)OC1=CC(=CC=C1)Br PI-31927 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.157 CC(C)OC1=CC=CC(=C1)N PI-33132 [1,1,0,0,0,0|1,0,0]=3 229 B11R1.157 CN(C)CC1=CC(=CC=C1)Br PI-47270 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PI-28365 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 PI-20351 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.509 C[Si](C)(C)OC1=CC=CC=C1 PI-46060 [1,1,0,0,0,0|1,1,0]=4 233 B11R1.509 NS(=O)(=O)Cc1ccccc1 PI-30638 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.7 C#CC(c1ccccc1)(O)C PI-39335 [0,1,0,0,1,0|1,0,1]=4 235 B11R1.7 CCC(C)(C)C1=CC=CC=C1 PI-12312 [0,1,0,0,1,0|1,0,0]=3 236 B11R1.12 CCC(C#N)C1=CC=CC=C1 PI-11343 [0,1,0,0,1,0|1,0,1]=4 237 B11R1.12 CCN(CC)C1=CC=CC=C1 PI-49995 [0,1,0,0,1,0|2,0,0]=4 238 B11R1.22 CNC(=O)c1ccc(cc1)N PI-38046 [0,1,0,0,1,0|1,0,1]=4 239 B11R1.23 CNC(=O)C1=CC(=CC=C1)N PI-17436 [0,1,0,0,1,0|1,0,1]=4 240 B13R1.417 C1=CC=C(C=C1)COC(CO)CO PI-46925 [0,1,0,0,0,1|2,0,0]=4 241 B13R1.152 CC(C(=O)C)C(=O)C1=CC=CC=C1 PI-44074 [0,2,0,0,0,0|1,0,1]=4 242 B13R1.152 C[C@@H]([C@@H](C1=CC=CC=C1)O)C(=O)O PI-48759 [0,2,0,0,0,0|2,0,0]=4 243 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O PI-43815 [0,2,0,0,0,0|0,0,1]=3 244 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N PI-14932 [0,2,0,0,0,0|2,0,0]=4 245 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N PI-14933 [0,2,0,0,0,0|2,0,0]=4 246 B13R1.1073 OC(=O)C(Cc1ccccc1)(N)C PI-30075 [0,2,0,0,0,0|2,0,0]=4 247 B13R1.145 CCN(CC)CC1=CC=C(C=C1)Br PI-47273 [0,2,0,0,0,0|2,0,0]=4 248 B13R1.249 CNS(=O)(=O)Cc1ccc(N)cc1 PI-11651 [0,2,0,0,0,0|2,0,0]=4 249 B13R1.146 CCN(CC)CC1=CC(=CC=C1)Br PI-47276 [0,2,0,0,0,0|2,0,0]=4 250 B13R1.250 CC1=CC(=CC=C1)CC(C)(C)CO PI-40148 [0,2,0,0,0,0|2,0,0]=4 251 B13R1.335 CCN(CC)CC1=CC=CC=C1Br PI-47279 [0,2,0,0,0,0|2,0,0]=4 252 B13R1.3080 COP(=O)(CC1=CC=CC=C1)OC PI-33770 [0,2,0,0,0,0|2,0,0]=4 253 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [1,0,0,1,0,0|2,0,0]=4 254 B11R2.1 C1CC2=CC=CC=C2C1N PI-41308 [1,0,0,1,0,0|2,0,0]=4 255 B11R2.1 CN1C2=CC=CC=C2N=N1 PI-17166 [1,0,0,1,0,0|2,0,0]=4 256 B11R2.1 CN1C=NC2=CC=CC=C21 PI-11703 [1,0,0,1,0,0|1,0,1]=4 257 B11R2.1 Cn1ccc2ccccc12 PI-11080 [1,0,0,1,0,0|0,0,2]=4 258 B11R2.1 NC1CCC2=C1C=CC=C2 PI-40451 [1,0,0,1,0,0|2,0,0]=4 259 B11R2.1 NC1CCc2ccccc12 PI-24340 [1,0,0,1,0,0|2,0,0]=4 260 B11R2.1 N[C@@H]1CCc2ccccc12 PI-17002 [1,0,0,1,0,0|2,0,0]=4 261 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 PI-25120 [1,0,0,1,0,0|2,0,0]=4 262 B11R2.20 C1=Cc2c(CC1)cccc2 PI-25582 [1,0,0,1,0,0|1,0,1]=4 263 B11R2.20 C1CCc2c(C1)cncc2 PI-38323 [1,0,0,1,0,0|2,0,0]=4 264 B11R2.20 C1CCc2ccccc2N1 PI-32264 [1,0,0,1,0,0|2,0,0]=4 265 B11R2.20 C1CCc2cccnc2C1 PI-10313 [1,0,0,1,0,0|2,0,0]=4 266 B11R2.20 C1CN=CC2=CC=CC=C21 PI-17411 [1,0,0,1,0,0|0,0,2]=4 267 B11R2.20 C1CNCC2=CC=CC=C21 PI-17083 [1,0,0,1,0,0|0,0,0]=2 268 B11R2.20 C1CNCC2=CC=CC=C21 PI-38027 [1,0,0,1,0,0|0,0,0]=2 269 B11R2.238 C1CC1Sc2ccccc2 PI-25166 [1,0,0,1,0,0|2,0,0]=4 270 B11R2.239 C1C(CO1)C2=CC=CC=C2 PI-36427 [1,0,0,1,0,0|1,0,0]=3 271 B11R2.988 OCC1C2=CC=CC=C2C1 PI-40936 [1,0,0,1,0,0|2,0,0]=4 272 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [1,0,0,1,0,0|1,0,1]=4 273 B11R2.10 C1C(CC2=CC=CC=C21)O PI-11612 [1,0,0,1,0,0|1,0,0]=3 274 B11R2.10 CC1=CC2=CC=CC=C2C1 PI-30321 [1,0,0,1,0,0|0,0,2]=4 275 B11R2.10 CC1=CC2=CC=CC=C2N1 PI-31662 [1,0,0,1,0,0|0,0,2]=4 276 B11R2.10 CC1=NC2=CC=CC=C2N1 PI-11865 [1,0,0,1,0,0|1,0,1]=4 277 B11R2.10 CC1CC2=CC=CC=C2O1 PI-17206 [1,0,0,1,0,0|1,0,0]=3 278 B11R2.10 CC1NC2=C(C=CC=C2)C1 PI-11338 [1,0,0,1,0,0|0,0,0]=2 279 B11R2.10 NC1CC2=C(C=CC=C2)C1 PI-37165 [1,0,0,1,0,0|0,0,0]=2 280 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [1,0,0,1,0,0|1,0,1]=4 281 B11R2.40 CC1(CO1)C2=CC=CC=C2 PI-47223 [0,0,0,1,1,0|1,0,0]=3 282 B13R2.32 CC1CCC2=CC=CC=C2C1=O PI-17355 [0,0,0,1,0,1|2,0,0]=4 283 B13R2.57 C1C(NCC2=CC=CC=C21)CN PI-35783 [0,0,0,1,0,1|2,0,0]=4 284 B13R2.57 C1C(NCC2=CC=CC=C21)CO PI-28237 [0,0,0,1,0,1|2,0,0]=4 285 B13R2.57 C1C(NCC2=CC=CC=C21)CO PI-28703 [0,0,0,1,0,1|2,0,0]=4 286 B13R2.57 C1C(NCC2=CC=CC=C21)CO PI-35710 [0,0,0,1,0,1|2,0,0]=4 287 B13R2.2383 C1(OCC2=CC=CC=C2)CNC1 PI-40825 [0,0,0,1,0,1|2,0,0]=4 288 B13R2.25 C1C(C1N=C=O)C2=CC=CC=C2 PI-26817 [0,1,0,1,0,0|0,0,2]=4 289 B13R2.31 C1C(CN1CC2=CC=CC=C2)O PI-33860 [0,1,0,1,0,0|2,0,0]=4 290 B13R2.135 CC1=NC2=CC=CC=C2N1CF PI-46460 [0,1,0,1,0,0|1,0,1]=4 291 B13R2.135 CCN1C(=NC2=CC=CC=C21)C PI-32333 [0,1,0,1,0,0|1,0,1]=4 292 B13R2.423 C1C(C1C(=O)Cl)C2=CC=CC=C2 PI-17992 [0,1,0,1,0,0|2,0,0]=4 293 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2ccccc2 PI-17993 [0,1,0,1,0,0|2,0,0]=4 294 B13R2.3028 CC1CC2=CC=C(F)C=C2C1=O PI-40267 [0,1,0,1,0,0|2,0,0]=4 295 B13R2.3028 O=C1C(C)CC2=C1C=C(Br)C=C2 PI-40265 [0,1,0,1,0,0|2,0,0]=4 296 B13R2.4856 CC1CC2=C(C1=O)C(=CC=C2)Br PI-40275 [0,1,0,1,0,0|2,0,0]=4 297 B13R2.4856 O=C1C(C)CC2=C1C(Br)=CC=C2 PI-40276 [0,1,0,1,0,0|2,0,0]=4 298 B13R2.4856 O=C1C(C)CC2=C1C(Cl)=CC=C2 PI-40266 [0,1,0,1,0,0|2,0,0]=4 299 B13R2.5190 O=C1C(C)CC2=C1C=CC(Br)=C2 PI-40271 [0,1,0,1,0,0|2,0,0]=4 300 B13R2.5190 O=C1C(C)CC2=C1C=CC(Cl)=C2 PI-40270 [0,1,0,1,0,0|2,0,0]=4 301 B13R2.5190 O=C1C(C)CC2=C1C=CC(F)=C2 PI-40268 [0,1,0,1,0,0|2,0,0]=4 302 B13R2.4825 CC1CC2=C(Br)C=CC=C2C1=O PI-40273 [0,1,0,1,0,0|2,0,0]=4 303 B13R2.4825 O=C1C(C)CC2=C1C=CC=C2Cl PI-40272 [0,1,0,1,0,0|2,0,0]=4 304 B13R2.4825 O=C1C(C)CC2=C1C=CC=C2F PI-40269 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.12 CCCCC1=CC=CS1 PI-44597 [1,0,0,0,1,0|2,0,0]=4 306 B9R1.12 CCCCC1=CSC=C1 PI-36456 [1,0,0,0,1,0|2,0,0]=4 307 B9R1.6 CC(C)c1ccncc1 PI-16693 [1,0,0,0,1,0|1,0,0]=3 308 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [1,0,0,0,1,0|0,0,0]=2 309 B9R1.6 CC(C1=CN=CN=C1)N PI-43048 [1,0,0,0,1,0|2,0,0]=4 310 B9R1.6 CC(C1=NC=CN=C1)N PI-37121 [1,0,0,0,1,0|2,0,0]=4 311 B9R1.6 CC(c1ccccn1)N PI-38576 [1,0,0,0,1,0|1,0,0]=3 312 B9R1.6 CC(c1ccncc1)N PI-38572 [1,0,0,0,1,0|1,0,0]=3 313 B9R1.6 CN(C)c1ccncc1 PI-16263 [1,0,0,0,1,0|2,0,0]=4 314 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [1,0,0,0,1,0|1,0,0]=3 315 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [1,0,0,0,1,0|1,0,0]=3 316 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [1,0,0,0,1,0|2,0,0]=4 317 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [1,0,0,0,1,0|1,0,0]=3 318 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [1,0,0,0,1,0|2,0,0]=4 319 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [1,0,0,0,1,0|0,0,0]=2 320 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [1,0,0,0,1,0|2,0,0]=4 321 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [1,0,0,0,1,0|2,0,0]=4 322 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [1,0,0,0,1,0|0,0,0]=2 323 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [1,0,0,0,1,0|1,0,0]=3 324 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [1,0,0,0,1,0|0,1,0]=3 325 B9R1.6 NC(=N)c1ccccc1 PI-30200 [1,0,0,0,1,0|1,0,1]=4 326 B9R1.6 NC(=S)c1ccccc1 PI-29356 [1,0,0,0,1,0|1,0,1]=4 327 B9R1.13 CC(C)CC1=NC=CS1 PI-11127 [1,0,0,0,1,0|2,0,0]=4 328 B9R1.13 CC(N)CC1=CC=CS1 PI-40008 [1,0,0,0,1,0|1,0,0]=3 329 B9R1.13 CC(N)Cc1ccco1 PI-36445 [1,0,0,0,1,0|1,0,0]=3 330 B9R1.13 CN(C)C=C1C=CC=C1 PI-48994 [1,0,0,0,1,0|1,0,1]=4 331 B9R1.11 CC(C1=CC=CO1)NO PI-19088 [0,0,0,0,2,0|2,0,0]=4 332 B13R1.718 CCC(COCC1=CC=CC=C1)N PI-30144 [0,0,0,0,0,2|2,0,0]=4