0 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br PI-12957 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.40 C1=CC=C(C=C1)CC(CN)N PI-19951 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 C1=CC=C(C=C1)NC(=S)NN PI-29671 [0,0,0,0,0,0|3,1,0]=4 4 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.40 CNC(=S)Nc1ccccc1 PI-24288 [0,0,0,0,0,0|2,1,0]=3 7 B11R1.40 CNC(=S)Nc1ccccc1 PI-30591 [0,0,0,0,0,0|2,1,0]=3 8 B11R1.40 COC(=O)CC1=CC=CC=N1 PI-48279 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.40 COC(=O)CC1=NC=CN=C1 PI-29522 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.40 O=C(OC)CC1=NC=CC=N1 PI-46781 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.40 OC[C@@H](Cc1ccccc1)N PI-16474 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.40 OC[C@H](Cc1ccccc1)N PI-16635 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.17 C1=CC=C(C=C1)CN=C=S PI-28698 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.17 CNCCc1ccncc1 PI-12002 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.17 ClCCCc1ccccc1 PI-33374 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.17 ClCSCc1ccccc1 PI-19537 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.17 N#CSCc1ccccc1 PI-32979 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.17 N#C\C=C\c1ccccc1 PI-12934 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.17 NCCCc1ccccc1 PI-11351 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.17 [NH-]=[N+]=NCc1ccccc1 PI-14174 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [1,0,0,0,0,0|1,0,1]=3 33 B10R1.18 BrC(=Cc1ccccc1)Br PI-35682 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [1,0,0,0,0,0|1,0,1]=3 41 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [1,0,0,0,0,0|1,0,0]=2 42 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [1,0,0,0,0,0|1,0,0]=2 43 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [1,0,0,0,0,0|1,0,0]=2 44 B10R1.18 CC(=O)NC1=NC=CC=N1 PI-44088 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [1,0,0,0,0,0|1,0,0]=2 47 B10R1.18 CC(Cc1ccccn1)C PI-13337 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.18 ClC(=S)Oc1ccccc1 PI-13044 [1,0,0,0,0,0|2,1,0]=4 49 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [1,0,0,0,0,0|1,0,0]=2 52 B10R1.18 OC(=O)Cc1cncnc1 PI-32944 [1,0,0,0,0,0|2,0,0]=3 53 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [0,1,0,0,0,0|1,0,0]=2 54 B12R1.32 CCOC(=O)CC1=CN=CC=C1 PI-42472 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.32 CCOC(=O)C[n+]1ccccc1 PI-17048 [0,1,0,0,0,0|1,0,0]=2 56 B12R1.32 CCOC(=O)NC1=CC=CC=C1 PI-50683 [0,1,0,0,0,0|1,0,0]=2 57 B12R1.32 COCC(CC1=CC=CC=C1)N PI-19806 [0,1,0,0,0,0|1,0,1]=3 58 B12R1.32 O=C(OCC)CC1=NC=CC=N1 PI-46779 [0,1,0,0,0,0|2,0,0]=3 59 B12R1.34 C1=CC=C(C=C1)C(C(=O)NN)O PI-50234 [0,1,0,0,0,0|2,0,0]=3 60 B12R1.34 CC(C1=CC=CC=C1)C(=O)OC PI-50499 [0,1,0,0,0,0|0,0,0]=1 61 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 PI-11500 [0,1,0,0,0,0|0,0,1]=2 62 B12R1.34 COC(=O)C(C1=CC=CC=C1)Cl PI-12504 [0,1,0,0,0,0|0,0,0]=1 63 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31834 [0,1,0,0,0,0|0,0,0]=1 64 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31835 [0,1,0,0,0,0|0,0,0]=1 65 B12R1.34 COC(=O)[C@H](c1ccccc1)N PI-13398 [0,1,0,0,0,0|0,0,0]=1 66 B12R1.43 C=C(C(=O)O)Cc1ccccc1 PI-12179 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C PI-40378 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.43 CN(C(=O)NC1=CC=CC=C1)O PI-20818 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.43 CN(C)C(=O)OC1=CN=CC=C1 PI-13338 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.43 O=C(SC1=CC=CN=C1)N(C)C PI-46612 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.49 C1=CC(=CC=C1CC(=O)NN)Cl PI-50326 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.49 C1=CC(=CC=C1CC(=O)NN)F PI-50267 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.49 C1=CC(=CC=C1CC(=O)NN)O PI-50261 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)Cl PI-20206 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)F PI-15659 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.49 CC1=CC=C(C=C1)CC(=O)NN PI-50599 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.49 CCC(=O)SC1=CC=C(C=C1)C PI-19241 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PI-50433 [0,1,0,0,0,0|0,0,0]=1 80 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl PI-13010 [0,1,0,0,0,0|0,0,0]=1 81 B12R1.49 COC(=O)CC1=CC=C(C=C1)F PI-50441 [0,1,0,0,0,0|0,0,0]=1 82 B12R1.49 COC(=O)CC1=CC=C(C=C1)N PI-50506 [0,1,0,0,0,0|0,0,0]=1 83 B12R1.49 COC(=O)CC1=CC=C(C=C1)O PI-11994 [0,1,0,0,0,0|0,0,0]=1 84 B12R1.49 COC(=O)Cc1ccc(cc1)C PI-12770 [0,1,0,0,0,0|0,0,0]=1 85 B12R1.49 FC1=CC=C(CC(=O)C=C)C=C1 PI-36344 [0,1,0,0,0,0|1,0,1]=3 86 B12R1.49 O\N=C(\N)/Cc1ccc(Br)cc1 PI-22267 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.50 C1=CC(=CC(=C1)Cl)CC(=O)NN PI-50254 [0,1,0,0,0,0|2,0,0]=3 88 B12R1.50 C1=CC(=CC(=C1)F)NC(=O)CCl PI-23121 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.50 CC1=CC(=CC=C1)CC(=O)OC PI-50501 [0,1,0,0,0,0|0,0,0]=1 90 B12R1.50 CCC(=O)NC1=CC=CC(=C1)N PI-30343 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.50 CNC(=O)CC1=CC(=CC=C1)N PI-36757 [0,1,0,0,0,0|1,0,0]=2 92 B12R1.50 COC(=O)CC1=CC(=CC=C1)Br PI-50496 [0,1,0,0,0,0|0,0,0]=1 93 B12R1.50 COC(=O)CC1=CC(=CC=C1)F PI-50484 [0,1,0,0,0,0|0,0,0]=1 94 B12R1.50 COC(=O)CC1=CC(=CC=C1)N PI-50434 [0,1,0,0,0,0|0,0,0]=1 95 B12R1.50 COC(=O)CC1=CC(=CC=C1)N PI-50508 [0,1,0,0,0,0|0,0,0]=1 96 B12R1.50 COC(=O)CC1=CC(=CC=C1)O PI-50436 [0,1,0,0,0,0|0,0,0]=1 97 B12R1.50 COC(=O)Cc1cccc(Cl)c1 PI-30683 [0,1,0,0,0,0|0,0,0]=1 98 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)Cl PI-50255 [0,1,0,0,0,0|2,0,0]=3 99 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)F PI-50405 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.371 CC1=CC=CC=C1CC(=O)OC PI-50422 [0,1,0,0,0,0|0,0,0]=1 101 B12R1.371 COC(=O)CC1=CC=CC=C1Cl PI-30731 [0,1,0,0,0,0|0,0,0]=1 102 B12R1.371 COC(=O)CC1=CC=CC=C1F PI-30730 [0,1,0,0,0,0|0,0,0]=1 103 B12R1.371 COC(=O)CC1=CC=CC=C1O PI-50540 [0,1,0,0,0,0|0,0,0]=1 104 B12R1.371 COC(=O)Cc1ccccc1Br PI-26756 [0,1,0,0,0,0|0,0,0]=1 105 B12R2.18 CC1C2=C(NC1=O)N=CC=C2 PI-41265 [0,0,0,1,0,0|3,0,0]=4 106 B12R2.18 CN1C2=CC=CC=C2N=C1N PI-30188 [0,0,0,1,0,0|3,0,0]=4 107 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [0,0,0,1,0,0|3,0,0]=4 108 B12R2.18 Cn1c(C)cc2c1cccc2 PI-11083 [0,0,0,1,0,0|2,0,1]=4 109 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [0,0,0,1,0,0|3,0,0]=4 110 B12R2.18 O=C1OC2=CC=CC=C2C1C PI-37207 [0,0,0,1,0,0|2,0,0]=3 111 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [0,0,0,1,0,0|1,0,2]=4 112 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [0,0,0,1,0,0|3,0,0]=4 113 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [0,0,0,1,0,0|3,0,0]=4 114 B12R2.24 C1CC2=CC=CC=C2CC1N PI-35442 [0,0,0,1,0,0|2,0,1]=4 115 B12R2.24 C1CC2=CC=CC=C2CC1O PI-18640 [0,0,0,1,0,0|1,0,2]=4 116 B12R2.24 C1CC2=CC=CC=C2C[C@@H]1N PI-48325 [0,0,0,1,0,0|2,0,1]=4 117 B12R2.24 C1CC2=CC=CC=C2C[C@H]1N PI-48324 [0,0,0,1,0,0|2,0,1]=4 118 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [0,0,0,1,0,0|1,0,0]=2 119 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [0,0,0,1,0,0|2,0,0]=3 120 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [0,0,0,1,0,0|3,0,0]=4 121 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [0,0,0,1,0,0|0,0,0]=1 122 B12R2.32 C1C(=NO)CC2=CC=CC=C21 PI-13702 [0,0,0,1,0,0|3,0,0]=4 123 B12R2.32 CCC1=CC2=CC=CC=C2C1 PI-29198 [0,0,0,1,0,0|2,0,0]=3 124 B12R2.32 CCC1=CC2=CC=CC=C2O1 PI-17342 [0,0,0,1,0,0|1,0,2]=4 125 B12R2.32 CNC1CC2=CC=CC=C2C1 PI-42263 [0,0,0,1,0,0|2,0,1]=4 126 B12R2.32 CSC1=NC2=CC=CC=C2O1 PI-33936 [0,0,0,1,0,0|1,1,1]=4 127 B12R2.32 CSC1=NC2=CC=CC=C2S1 PI-45375 [0,0,0,1,0,0|1,2,0]=4 128 B10R1.15 BrCC(=O)c1ccccn1 PI-20524 [0,0,0,0,1,0|3,0,0]=4 129 B10R1.15 BrCC(=O)c1ccncc1 PI-20526 [0,0,0,0,1,0|3,0,0]=4 130 B10R1.15 C1=CC(=CN=C1)C(=O)CBr PI-20525 [0,0,0,0,1,0|3,0,0]=4 131 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [0,0,0,0,1,0|2,0,0]=3 132 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [0,0,0,0,1,0|2,0,0]=3 133 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [0,0,0,0,1,0|2,0,0]=3 134 B10R1.15 C1=CC=NC(=C1)C(=O)NN PI-50236 [0,0,0,0,1,0|3,0,0]=4 135 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [0,0,0,0,1,0|3,0,0]=4 136 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [0,0,0,0,1,0|2,0,1]=4 137 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [0,0,0,0,1,0|2,0,0]=3 138 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [0,0,0,0,1,0|2,0,1]=4 139 B10R1.15 CCC(O)c1ccccc1 PI-31770 [0,0,0,0,1,0|1,0,2]=4 140 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [0,0,0,0,1,0|3,0,0]=4 141 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [0,0,0,0,1,0|3,0,0]=4 142 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [0,0,0,0,1,0|1,0,2]=4 143 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [0,0,0,0,1,0|2,0,1]=4 144 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [0,0,0,0,1,0|1,0,2]=4 145 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [0,0,0,0,1,0|1,0,0]=2 146 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [0,0,0,0,1,0|1,0,0]=2 147 B10R1.15 COC(=N)C1=CC=CC=N1 PI-46993 [0,0,0,0,1,0|2,0,0]=3 148 B10R1.15 COC(=O)C1=CN=CC=C1 PI-33274 [0,0,0,0,1,0|1,0,0]=2 149 B10R1.15 COC(=O)C1=NC=CC=N1 PI-42078 [0,0,0,0,1,0|2,0,0]=3 150 B10R1.15 COC(=O)C1=NC=CN=C1 PI-30782 [0,0,0,0,1,0|2,0,0]=3 151 B10R1.15 COC(=O)c1ccccn1 PI-33273 [0,0,0,0,1,0|1,0,0]=2 152 B10R1.15 COC(=O)c1ccncn1 PI-36498 [0,0,0,0,1,0|2,0,0]=3 153 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [0,0,0,0,1,0|2,0,0]=3 154 B10R1.15 NNC(=O)c1cccnc1 PI-18681 [0,0,0,0,1,0|3,0,0]=4 155 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [0,0,0,0,1,0|2,0,0]=3 156 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [0,0,0,0,1,0|3,0,0]=4 157 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [0,0,0,0,1,0|3,0,0]=4 158 B10R1.27 C1=CSC=C1CC(=O)NN PI-29251 [0,0,0,0,1,0|3,0,0]=4 159 B10R1.27 COC(=O)CC1=CC=CS1 PI-50442 [0,0,0,0,1,0|1,0,0]=2 160 B10R1.27 COC(=O)CC1=CSC=C1 PI-30743 [0,0,0,0,1,0|1,0,0]=2 161 B10R1.27 COC(=O)CN1C=NC=N1 PI-19041 [0,0,0,0,1,0|3,0,0]=4 162 B12R1.27 C1=CC=C(C=C1)CCC(=O)NN PI-50331 [0,0,0,0,0,1|2,0,0]=3 163 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl PI-49782 [0,0,0,0,0,1|2,0,0]=3 164 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr PI-32119 [0,0,0,0,0,1|2,0,0]=3 165 B12R1.27 C1=CC=C(C=C1)COC(=O)CO PI-48132 [0,0,0,0,0,1|2,0,0]=3 166 B12R1.27 C1=CC=C(C=C1)COC(=O)NN PI-13115 [0,0,0,0,0,1|2,0,0]=3 167 B12R1.27 C1=CC=C(C=C1)OCC(=O)NN PI-50252 [0,0,0,0,0,1|2,0,0]=3 168 B12R1.27 C=CC(=O)OCc1ccccc1 PI-40377 [0,0,0,0,0,1|1,0,1]=3 169 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [0,0,0,0,0,1|1,0,0]=2 170 B12R1.27 CNC(=S)NCC1=CC=CC=C1 PI-28336 [0,0,0,0,0,1|1,1,0]=3 171 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [0,0,0,0,0,1|0,0,0]=1 172 B12R1.27 NCC(=O)OCc1ccccc1 PI-12180 [0,0,0,0,0,1|2,0,0]=3 173 B12R1.27 NCC(=O)OCc1ccccc1 PI-12746 [0,0,0,0,0,1|2,0,0]=3 174 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [0,0,0,0,0,1|2,0,0]=3 175 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [2,0,0,0,0,0|1,0,1]=4 176 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [2,0,0,0,0,0|1,0,1]=4 177 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [2,0,0,0,0,0|0,1,1]=4 178 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [2,0,0,0,0,0|0,0,1]=3 182 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [2,0,0,0,0,0|0,0,2]=4 183 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [2,0,0,0,0,0|1,0,1]=4 184 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [2,0,0,0,0,0|1,0,1]=4 185 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [2,0,0,0,0,0|1,0,1]=4 186 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.8 COCC1=CC=CC=C1 PI-19695 [2,0,0,0,0,0|0,0,0]=2 188 B9R1.8 COCc1ccccn1 PI-38670 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [2,0,0,0,0,0|0,0,1]=3 190 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [2,0,0,0,0,0|0,0,1]=3 191 B9R1.8 NOCc1ccccc1 PI-11329 [2,0,0,0,0,0|1,0,0]=3 192 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [2,0,0,0,0,0|1,0,1]=4 193 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [2,0,0,0,0,0|1,0,0]=3 194 B11R1.1 CCCCC1=CC=C(C=C1)C PI-19171 [1,1,0,0,0,0|1,0,1]=4 195 B11R1.1 CCCCC1=CC=C(C=C1)O PI-11971 [1,1,0,0,0,0|1,0,1]=4 196 B11R1.1 CCCCc1ccc(Br)cc1 PI-30595 [1,1,0,0,0,0|1,0,1]=4 197 B11R1.1 CNCCC1=CC=C(C=C1)O PI-43105 [1,1,0,0,0,0|1,0,1]=4 198 B11R1.1 COCCc1ccc(O)cc1 PI-12149 [1,1,0,0,0,0|0,0,1]=3 199 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19327 [1,1,0,0,0,0|1,0,1]=4 200 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19763 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.16 COCC(=O)c1ccccc1 PI-11856 [1,1,0,0,0,0|0,0,2]=4 202 B11R1.24 COCOC1=CC(=CC=C1)Br PI-43270 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.28 C1=CC=C(C=C1)CCCCBr PI-13248 [1,1,0,0,0,0|1,0,1]=4 204 B11R1.28 C1=CC=C(C=C1)CCCCO PI-12011 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.28 C1=CC=C(C=C1)COCCCl PI-19195 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.28 CCCCCC1=CC=CC=C1 PI-12353 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.28 CCOCCC1=CC=CC=N1 PI-19391 [1,1,0,0,0,0|1,0,1]=4 208 B11R1.28 NCCOCc1ccccc1 PI-36880 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.28 OCCOCc1ccccc1 PI-24526 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.28 OCCSCc1ccccc1 PI-20759 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.91 CC(CCC1=CC=CC=C1)N PI-33450 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.20 C1=C(C=NC(=N1)CC(=O)O)F PI-45132 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F PI-28554 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [1,1,0,0,0,0|1,0,0]=3 217 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [1,1,0,0,0,0|0,0,0]=2 218 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [1,1,0,0,0,0|0,0,0]=2 219 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [1,1,0,0,0,0|0,0,0]=2 220 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [1,1,0,0,0,0|0,0,0]=2 221 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl PI-18893 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.20 C1=CC(=NC=C1CC(=O)O)Cl PI-32201 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [1,1,0,0,0,0|0,0,0]=2 224 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 PI-26690 [1,1,0,0,0,0|1,0,0]=3 225 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br PI-24030 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [1,1,0,0,0,0|1,0,0]=3 227 B11R1.20 CC(=O)NC1=CC=C(C=C1)S PI-26064 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.20 CC(=O)NC1=NC=C(C=C1)N PI-14240 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.20 CC(=O)Oc1ccc(cc1)Br PI-35155 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.20 CC(=O)SC1=CC=C(C=C1)I PI-35183 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.20 CC(C)CC1=CC=C(C=C1)Br PI-13179 [1,1,0,0,0,0|1,0,1]=4 234 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [1,1,0,0,0,0|0,0,0]=2 236 B11R1.20 CC1=CC=C(C=C1)NC(=O)N PI-24527 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.20 CC1=CN=C(C=C1)CC(=O)O PI-48028 [1,1,0,0,0,0|1,0,0]=3 238 B11R1.20 ClC(=O)Cc1ccc(Br)cc1 PI-22240 [1,1,0,0,0,0|1,0,0]=3 239 B11R1.20 ClC(=O)Cc1ccc(C)cc1 PI-24891 [1,1,0,0,0,0|1,0,0]=3 240 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [1,1,0,0,0,0|0,0,0]=2 241 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [1,1,0,0,0,0|0,0,0]=2 242 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [1,1,0,0,0,0|0,0,0]=2 243 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [1,1,0,0,0,0|0,0,0]=2 244 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br PI-12709 [1,1,0,0,0,0|0,0,0]=2 245 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N PI-18442 [1,1,0,0,0,0|0,0,0]=2 246 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [1,1,0,0,0,0|0,0,0]=2 247 B11R1.36 C1=CN=CC=C1C(C(=O)O)N PI-36241 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.36 C1C=CCC(=C1)C(C(=O)O)N PI-28324 [1,1,0,0,0,0|0,0,2]=4 249 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O PI-11241 [1,1,0,0,0,0|0,0,1]=3 250 B11R1.36 CC(C(=O)O)c1ccccc1 PI-11879 [1,1,0,0,0,0|0,0,0]=2 251 B11R1.36 CC(C1=CC=CC=C1)C(=O)O PI-10358 [1,1,0,0,0,0|0,0,0]=2 252 B11R1.36 C[C@@H](c1ccccc1)C(=O)O PI-10357 [1,1,0,0,0,0|0,0,0]=2 253 B11R1.36 FC(C(=O)O)c1ccccc1 PI-30175 [1,1,0,0,0,0|0,0,0]=2 254 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [1,1,0,0,0,0|0,0,1]=3 256 B11R1.36 O=C(C(=O)O)c1ccccc1 PI-30769 [1,1,0,0,0,0|0,0,1]=3 257 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [1,1,0,0,0,0|0,0,0]=2 258 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [1,1,0,0,0,0|0,0,0]=2 259 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br PI-14498 [1,1,0,0,0,0|0,0,0]=2 260 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O PI-10304 [1,1,0,0,0,0|0,0,0]=2 261 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [1,1,0,0,0,0|0,0,0]=2 262 B11R1.86 CC(=O)NC1=CC=CC=C1Br PI-50525 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.86 CC(=O)NC1=CC=CC=C1F PI-34151 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.86 CC(=O)NC1=CC=CC=C1O PI-11773 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.86 CC(=O)Nc1ccccc1N PI-39094 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.86 CC(=O)OC1=CC=CC=C1Cl PI-10924 [1,1,0,0,0,0|1,0,0]=3 267 B11R1.86 ClC(=O)Cc1ccccc1C PI-24889 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.86 OC(=O)Cc1ccccc1C PI-30825 [1,1,0,0,0,0|0,0,0]=2 269 B11R1.86 OC(=O)Cc1ccccc1Cl PI-11828 [1,1,0,0,0,0|0,0,0]=2 270 B11R1.86 OC(=O)Cc1ccccc1F PI-16981 [1,1,0,0,0,0|0,0,0]=2 271 B11R1.86 OC(=O)Cc1ccccc1I PI-12208 [1,1,0,0,0,0|0,0,0]=2 272 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O PI-22281 [1,1,0,0,0,0|0,0,0]=2 273 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O PI-16021 [1,1,0,0,0,0|0,0,0]=2 274 B11R1.157 C1=CC(=CC(=C1)I)CC(=O)O PI-30249 [1,1,0,0,0,0|0,0,0]=2 275 B11R1.157 CC(=O)Cc1cccc(c1)Br PI-38558 [1,1,0,0,0,0|0,0,0]=2 276 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br PI-50520 [1,1,0,0,0,0|1,0,0]=3 277 B11R1.157 CC(=O)NC1=CC(=CC=C1)F PI-23433 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.157 CC(=O)NC1=CC=CC(=C1)N PI-17432 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.157 CC(=O)OC1=CC(=CC=C1)F PI-26855 [1,1,0,0,0,0|1,0,0]=3 280 B11R1.157 CC1=NC(=CC=C1)NC(=O)C PI-46994 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.157 CN(C)CC1=CC(=CC=C1)Br PI-47270 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.157 OC(=O)Cc1cccc(c1)F PI-16930 [1,1,0,0,0,0|0,0,0]=2 283 B11R1.157 OC(=O)Cc1cccc(c1)N PI-31063 [1,1,0,0,0,0|0,0,0]=2 284 B11R1.157 OC(=O)Cc1cccc(c1)O PI-11931 [1,1,0,0,0,0|0,0,0]=2 285 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PI-28365 [1,1,0,0,0,0|1,0,0]=3 286 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 PI-13514 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.509 CS(=O)(=O)OC1=CC=CC=C1 PI-12785 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 PI-20351 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.509 ClS(=O)(=O)Cc1ccccc1 PI-30257 [1,1,0,0,0,0|1,0,1]=4 290 B11R1.509 NS(=O)(=O)Cc1ccccc1 PI-30638 [1,1,0,0,0,0|1,0,1]=4 291 B11R1.509 OP(=O)(Cc1ccccc1)O PI-30850 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 PI-29736 [0,1,0,0,1,0|2,0,0]=4 293 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 PI-37901 [0,1,0,0,1,0|1,0,0]=3 294 B11R1.22 BrCC(=O)c1ccc(F)cc1 PI-16507 [0,1,0,0,1,0|2,0,0]=4 295 B11R1.22 BrCC(=O)c1ccc(cc1)Cl PI-12174 [0,1,0,0,1,0|2,0,0]=4 296 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Br PI-41036 [0,1,0,0,1,0|2,0,0]=4 297 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Cl PI-33167 [0,1,0,0,1,0|2,0,0]=4 298 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F PI-41037 [0,1,0,0,1,0|2,0,0]=4 299 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O PI-10322 [0,1,0,0,1,0|2,0,0]=4 300 B11R1.22 C1=CC(=CC=C1C(=O)CCl)F PI-28553 [0,1,0,0,1,0|2,0,0]=4 301 B11R1.22 C1=CC(=CC=C1C(=O)CF)Cl PI-30480 [0,1,0,0,1,0|2,0,0]=4 302 B11R1.22 C1=CC(=CC=C1C(=O)CN)Br PI-29690 [0,1,0,0,1,0|2,0,0]=4 303 B11R1.22 C1=CC(=CC=C1C(=O)CN)Cl PI-16147 [0,1,0,0,1,0|2,0,0]=4 304 B11R1.22 C1=CC(=CC=C1C(=O)CN)F PI-10226 [0,1,0,0,1,0|2,0,0]=4 305 B11R1.22 C1=CC(=CC=C1C(=O)CN)O PI-49411 [0,1,0,0,1,0|2,0,0]=4 306 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [0,1,0,0,1,0|2,0,0]=4 307 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [0,1,0,0,1,0|2,0,0]=4 308 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [0,1,0,0,1,0|2,0,0]=4 309 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br PI-20532 [0,1,0,0,1,0|2,0,0]=4 310 B11R1.22 C1=CC(=CC=C1C(=O)NN)F PI-23456 [0,1,0,0,1,0|2,0,0]=4 311 B11R1.22 C1=CC(=CC=C1C(=O)NN)I PI-50270 [0,1,0,0,1,0|2,0,0]=4 312 B11R1.22 C1=CC(=CC=C1C(=O)NN)N PI-50237 [0,1,0,0,1,0|2,0,0]=4 313 B11R1.22 C1=CC(=CC=C1C(=O)NN)O PI-50238 [0,1,0,0,1,0|2,0,0]=4 314 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl PI-16721 [0,1,0,0,1,0|1,0,0]=3 315 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [0,1,0,0,1,0|2,0,0]=4 316 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [0,1,0,0,1,0|2,0,0]=4 317 B11R1.22 CC1=CC=C(C=C1)C(=O)NN PI-24359 [0,1,0,0,1,0|2,0,0]=4 318 B11R1.22 CC1=CC=C(C=C1)C(=O)OC PI-50597 [0,1,0,0,1,0|0,0,0]=2 319 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br PI-12718 [0,1,0,0,1,0|1,0,0]=3 320 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PI-17560 [0,1,0,0,1,0|1,0,0]=3 321 B11R1.22 CNC(=O)c1ccc(cc1)N PI-38046 [0,1,0,0,1,0|1,0,0]=3 322 B11R1.22 COC(=O)C1=CC=C(C=C1)Br PI-11276 [0,1,0,0,1,0|0,0,0]=2 323 B11R1.22 COC(=O)C1=CC=C(C=C1)I PI-18765 [0,1,0,0,1,0|0,0,0]=2 324 B11R1.22 COC(=O)C1=CC=C(C=C1)N PI-12227 [0,1,0,0,1,0|0,0,0]=2 325 B11R1.22 COC(=O)C1=CN=C(C=C1)Br PI-48738 [0,1,0,0,1,0|1,0,0]=3 326 B11R1.22 COC(=O)C1=CN=C(C=N1)Cl PI-35905 [0,1,0,0,1,0|2,0,0]=4 327 B11R1.22 COC(=O)C1=CN=C(N=C1)Cl PI-40861 [0,1,0,0,1,0|2,0,0]=4 328 B11R1.22 COC(=O)c1ccc(=O)oc1 PI-27764 [0,1,0,0,1,0|1,0,0]=3 329 B11R1.22 COC(=O)c1ccc(Cl)cc1 PI-30070 [0,1,0,0,1,0|0,0,0]=2 330 B11R1.22 COC(=O)c1ccc(O)cn1 PI-36864 [0,1,0,0,1,0|1,0,0]=3 331 B11R1.22 COC(=O)c1ccc(cn1)Br PI-36861 [0,1,0,0,1,0|1,0,0]=3 332 B11R1.22 COC(=O)c1ccc(nc1)C PI-10340 [0,1,0,0,1,0|1,0,0]=3 333 B11R1.22 COC(=O)c1cnc(C)cn1 PI-25000 [0,1,0,0,1,0|2,0,0]=4 334 B11R1.22 NC1=CC=C(C([O-4][K+2])=O)C=C1 PI-50445 [0,1,0,0,1,0|1,0,0]=3 335 B11R1.22 NNC(=O)c1ccc(cc1)Cl PI-23138 [0,1,0,0,1,0|2,0,0]=4 336 B11R1.22 O=C(C#N)C1=CC=C(Cl)C=C1 PI-40041 [0,1,0,0,1,0|2,0,0]=4 337 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 PI-16967 [0,1,0,0,1,0|0,0,0]=2 338 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 PI-35070 [0,1,0,0,1,0|1,0,0]=3 339 B11R1.23 BrCC(=O)c1cccc(Br)c1 PI-22228 [0,1,0,0,1,0|2,0,0]=4 340 B11R1.23 C1=C(C=CC=C1C(OC)=O)O PI-18286 [0,1,0,0,1,0|0,0,0]=2 341 B11R1.23 C1=CC(=CC(=C1)Br)C(=O)NN PI-20531 [0,1,0,0,1,0|2,0,0]=4 342 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CBr PI-20200 [0,1,0,0,1,0|2,0,0]=4 343 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CCl PI-32569 [0,1,0,0,1,0|2,0,0]=4 344 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)NN PI-23137 [0,1,0,0,1,0|2,0,0]=4 345 B11R1.23 C1=CC(=CC(=C1)F)C(=O)CBr PI-31564 [0,1,0,0,1,0|2,0,0]=4 346 B11R1.23 C1=CC(=CC(=C1)F)C(=O)NN PI-23455 [0,1,0,0,1,0|2,0,0]=4 347 B11R1.23 C1=CC(=CC(=C1)I)C(=O)NN PI-50336 [0,1,0,0,1,0|2,0,0]=4 348 B11R1.23 C1=CC(=CC(=C1)N)C(=O)NN PI-30136 [0,1,0,0,1,0|2,0,0]=4 349 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PI-24087 [0,1,0,0,1,0|2,0,0]=4 350 B11R1.23 CC1=CC(=CC=C1)C(=O)OC PI-50285 [0,1,0,0,1,0|0,0,0]=2 351 B11R1.23 CCC(=O)C1=CC(=CC=C1)F PI-28550 [0,1,0,0,1,0|1,0,0]=3 352 B11R1.23 CCC(=O)C1=CC(=CC=C1)O PI-17471 [0,1,0,0,1,0|1,0,0]=3 353 B11R1.23 CCC(=O)c1cccc(c1)Cl PI-13415 [0,1,0,0,1,0|1,0,0]=3 354 B11R1.23 CNC(=O)C1=CC(=CC=C1)N PI-17436 [0,1,0,0,1,0|1,0,0]=3 355 B11R1.23 CNC(=O)c1cc(Cl)ccn1 PI-35278 [0,1,0,0,1,0|2,0,0]=4 356 B11R1.23 COC(=O)C1=CC(=CC=C1)Br PI-29779 [0,1,0,0,1,0|0,0,0]=2 357 B11R1.23 COC(=O)C1=CC(=CC=C1)Cl PI-14890 [0,1,0,0,1,0|0,0,0]=2 358 B11R1.23 COC(=O)C1=CC(=CC=C1)F PI-34142 [0,1,0,0,1,0|0,0,0]=2 359 B11R1.23 COC(=O)C1=CC(=NC=C1)Cl PI-35024 [0,1,0,0,1,0|1,0,0]=3 360 B11R1.23 COC(=O)C1=CN=CC(=N1)Br PI-50062 [0,1,0,0,1,0|2,0,0]=4 361 B11R1.23 COC(=O)C1=NC(=CC=C1)Cl PI-35288 [0,1,0,0,1,0|1,0,0]=3 362 B11R1.23 COC(=O)C1=NC(=NC=C1)Cl PI-42080 [0,1,0,0,1,0|2,0,0]=4 363 B11R1.23 COC(=O)c1cc(Cl)ccn1 PI-34710 [0,1,0,0,1,0|1,0,0]=3 364 B11R1.23 COC(=O)c1cc(I)ccn1 PI-38432 [0,1,0,0,1,0|1,0,0]=3 365 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PI-38426 [0,1,0,0,1,0|1,0,0]=3 366 B11R1.23 COC(=O)c1cccc(c1)N PI-10944 [0,1,0,0,1,0|0,0,0]=2 367 B11R1.23 COC(=O)c1cccc(n1)Br PI-38915 [0,1,0,0,1,0|1,0,0]=3 368 B11R1.23 COC(=O)c1ccnc(c1)Br PI-39300 [0,1,0,0,1,0|1,0,0]=3 369 B11R1.23 COC(=O)c1ccnc(c1)N PI-27027 [0,1,0,0,1,0|1,0,0]=3 370 B11R1.23 COC(=O)c1cncc(Br)c1 PI-22189 [0,1,0,0,1,0|1,0,0]=3 371 B11R1.23 COC(=O)c1cnnc(c1)Cl PI-38433 [0,1,0,0,1,0|2,0,0]=4 372 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 PI-41906 [0,1,0,0,1,0|0,0,0]=2 373 B11R1.222 BrCC(=O)c1ccccc1Br PI-31567 [0,1,0,0,1,0|2,0,0]=4 374 B11R1.222 BrCC(=O)c1ccccc1Cl PI-20199 [0,1,0,0,1,0|2,0,0]=4 375 B11R1.222 BrCC(=O)c1ccccc1F PI-17348 [0,1,0,0,1,0|2,0,0]=4 376 B11R1.222 BrCC(=O)c1ccccc1O PI-31566 [0,1,0,0,1,0|2,0,0]=4 377 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)Br PI-50495 [0,1,0,0,1,0|2,0,0]=4 378 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)F PI-23454 [0,1,0,0,1,0|2,0,0]=4 379 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)N PI-30252 [0,1,0,0,1,0|2,0,0]=4 380 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)O PI-29980 [0,1,0,0,1,0|2,0,0]=4 381 B11R1.222 CC1=C(C=CC=N1)C(=O)OC PI-13128 [0,1,0,0,1,0|1,0,0]=3 382 B11R1.222 CC1=CC=CC=C1C(=O)CBr PI-31565 [0,1,0,0,1,0|2,0,0]=4 383 B11R1.222 CC1=CC=CC=C1C(=O)NN PI-24611 [0,1,0,0,1,0|2,0,0]=4 384 B11R1.222 CCC(=O)C1=CC=CC=C1F PI-16905 [0,1,0,0,1,0|1,0,0]=3 385 B11R1.222 CCC(=O)c1ccccc1O PI-15452 [0,1,0,0,1,0|1,0,0]=3 386 B11R1.222 COC(=O)C1=C(C=CC=N1)Cl PI-34713 [0,1,0,0,1,0|1,0,0]=3 387 B11R1.222 COC(=O)C1=C(C=CN=C1)N PI-33897 [0,1,0,0,1,0|1,0,0]=3 388 B11R1.222 COC(=O)C1=C(C=NC=C1)O PI-34886 [0,1,0,0,1,0|1,0,0]=3 389 B11R1.222 COC(=O)C1=C(N=CC=C1)Cl PI-24397 [0,1,0,0,1,0|1,0,0]=3 390 B11R1.222 COC(=O)C1=C(N=CC=C1)N PI-35287 [0,1,0,0,1,0|1,0,0]=3 391 B11R1.222 COC(=O)C1=CC=CC=C1Br PI-50462 [0,1,0,0,1,0|0,0,0]=2 392 B11R1.222 COC(=O)C1=CC=CC=C1Cl PI-34231 [0,1,0,0,1,0|0,0,0]=2 393 B11R1.222 COC(=O)C1=CC=CC=C1F PI-34134 [0,1,0,0,1,0|0,0,0]=2 394 B11R1.222 COC(=O)C1=CC=CC=C1S PI-50244 [0,1,0,0,1,0|0,0,0]=2 395 B11R1.222 COC(=O)C1=NC=CN=C1N PI-10107 [0,1,0,0,1,0|2,0,0]=4 396 B11R1.222 COC(=O)c1ccccc1I PI-10942 [0,1,0,0,1,0|0,0,0]=2 397 B11R1.222 COC(=O)c1ccncc1Br PI-38429 [0,1,0,0,1,0|1,0,0]=3 398 B11R1.222 COC(=O)c1ccncc1Cl PI-36383 [0,1,0,0,1,0|1,0,0]=3 399 B11R1.222 COC(=O)c1ccncc1N PI-35280 [0,1,0,0,1,0|1,0,0]=3 400 B11R1.222 COC(=O)c1ncccc1N PI-39311 [0,1,0,0,1,0|1,0,0]=3 401 B11R1.222 COC(=O)c1ncccc1O PI-31931 [0,1,0,0,1,0|1,0,0]=3 402 B11R1.222 COC(=O)c1nccnc1Cl PI-38428 [0,1,0,0,1,0|2,0,0]=4 403 B11R1.222 O=C(C1=CC=CNC1=O)OC PI-40201 [0,1,0,0,1,0|1,0,0]=3 404 B11R1.222 O=C(C1=NC=CC=C1Br)OC PI-39663 [0,1,0,0,1,0|1,0,0]=3 405 B11R1.222 OC1=NC=CN=C1C(=O)OC PI-40997 [0,1,0,0,1,0|2,0,0]=4 406 B11R1.222 ONC(=O)c1ccccc1O PI-31365 [0,1,0,0,1,0|2,0,0]=4 407 B11R1.30 CCOC(=O)CC1=CC=CS1 PI-19733 [0,1,0,0,1,0|1,0,0]=3 408 B11R1.30 CCOC(=O)CC1=CSC=C1 PI-19515 [0,1,0,0,1,0|1,0,0]=3 409 B11R1.30 CCOC(=O)CC1=NC=CS1 PI-50060 [0,1,0,0,1,0|2,0,0]=4 410 B11R1.30 CCOC(=O)CN1C=CN=C1 PI-42813 [0,1,0,0,1,0|2,0,0]=4 411 B11R1.39 COC(=O)CC1=CSC(N)=N1 PI-39587 [0,1,0,0,1,0|2,0,0]=4 412 B13R1.11 COC(=O)CC(=O)C1=CN=CC=C1 PI-24484 [0,1,0,0,0,1|1,0,0]=3 413 B13R1.14 C1=CC(=CC=C1OCC(=O)NN)Cl PI-50269 [0,1,0,0,0,1|2,0,0]=4 414 B13R1.14 C1=CC(=CC=C1OCC(=O)NN)F PI-50277 [0,1,0,0,0,1|2,0,0]=4 415 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)Cl PI-30910 [0,1,0,0,0,1|0,0,1]=3 416 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O PI-12062 [0,1,0,0,0,1|0,0,1]=3 417 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O PI-11989 [0,1,0,0,0,1|0,0,0]=2 418 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br PI-50596 [0,1,0,0,0,1|0,0,0]=2 419 B13R1.14 O=C(OC)\C=C\C1=CC=C(F)C=C1 PI-33638 [0,1,0,0,0,1|0,0,1]=3 420 B13R1.15 COC(=O)CCc1cccc(O)c1 PI-36322 [0,1,0,0,0,1|0,0,0]=2 421 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 PI-28355 [0,1,0,0,0,1|1,0,0]=3 422 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 PI-48955 [0,1,0,0,0,1|0,0,1]=3 423 B13R1.42 CCOC(=O)CCc1ccccc1 PI-13752 [0,1,0,0,0,1|0,0,0]=2 424 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 PI-17945 [0,1,0,0,0,1|0,0,0]=2 425 B13R1.42 CCOC(=O)COC1=CC=CC=C1 PI-50572 [0,1,0,0,0,1|0,0,0]=2 426 B13R1.42 NCCC(=O)OCc1ccccc1 PI-18422 [0,1,0,0,0,1|1,0,0]=3 427 B13R1.135 C1=CC=C(C=C1)C[C@@H](C(=O)NN)N PI-50293 [0,1,0,0,0,1|2,0,0]=4 428 B13R1.135 COC(=O)C(=C)CC1=CC=CC=C1 PI-33772 [0,1,0,0,0,1|0,0,0]=2 429 B13R1.135 COC(=O)C(CC1=CC=CC=C1)N PI-18139 [0,1,0,0,0,1|0,0,0]=2 430 B13R1.135 COC(=O)C(CC1=CC=CC=C1)O PI-15702 [0,1,0,0,0,1|0,0,0]=2 431 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N PI-13397 [0,1,0,0,0,1|0,0,0]=2 432 B13R1.351 C1=CC=C(C=C1)CCC(=O)C(=O)O PI-32065 [0,1,0,0,0,1|2,0,0]=4 433 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)N PI-14323 [0,1,0,0,0,1|1,0,0]=3 434 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)O PI-42713 [0,1,0,0,0,1|1,0,0]=3 435 B13R1.351 CC(C(=O)OCc1ccccc1)N PI-37613 [0,1,0,0,0,1|1,0,0]=3 436 B13R1.351 CC(C(OCC1=CC=CC=C1)=O)=C PI-40376 [0,1,0,0,0,1|1,0,0]=3 437 B13R1.351 O=C([C@H](N)C)OCc1ccccc1 PI-18535 [0,1,0,0,0,1|1,0,0]=3 438 B13R1.528 C1=CC=C(C(=C1)OCC(=O)NN)Cl PI-50359 [0,1,0,0,0,1|2,0,0]=4 439 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)Br PI-26128 [0,2,0,0,0,0|0,0,0]=2 440 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)Cl PI-50328 [0,2,0,0,0,0|0,0,0]=2 441 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)F PI-50266 [0,2,0,0,0,0|0,0,0]=2 442 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)N PI-29684 [0,2,0,0,0,0|0,0,0]=2 443 B13R1.19 CCOC(=O)Cc1ccc(O)cc1 PI-11993 [0,2,0,0,0,0|0,0,0]=2 444 B13R1.19 CCOC(=O)Cc1ccc(cc1)C PI-38408 [0,2,0,0,0,0|0,0,0]=2 445 B13R1.19 ClCCC(=O)Nc1ccc(Br)cc1 PI-22254 [0,2,0,0,0,0|2,0,0]=4 446 B13R1.20 CCOC(=O)CC1=CC(=CC=C1)O PI-50435 [0,2,0,0,0,0|0,0,0]=2 447 B13R1.20 CCOC(=O)Cc1cccc(N)n1 PI-36058 [0,2,0,0,0,0|1,0,0]=3 448 B13R1.20 COCC(=O)NC1=CC(=CC=C1)Br PI-48972 [0,2,0,0,0,0|1,0,0]=3 449 B13R1.44 C=CCOC(=O)CC1=CC=CC=C1 PI-50438 [0,2,0,0,0,0|0,0,0]=2 450 B13R1.47 CCOC(=O)C(=C)C1=CC=CC=C1 PI-46945 [0,2,0,0,0,0|0,0,1]=3 451 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 PI-28187 [0,2,0,0,0,0|0,0,1]=3 452 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)Br PI-26529 [0,2,0,0,0,0|0,0,0]=2 453 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)N PI-17842 [0,2,0,0,0,0|0,0,0]=2 454 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)N PI-22047 [0,2,0,0,0,0|0,0,0]=2 455 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)O PI-47031 [0,2,0,0,0,0|0,0,0]=2 456 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)O PI-50235 [0,2,0,0,0,0|0,0,0]=2 457 B13R1.470 CCOC(=O)CC1=CC=CC=C1Cl PI-50418 [0,2,0,0,0,0|0,0,0]=2 458 B13R1.470 CCOC(=O)CC1=CC=CC=C1F PI-50404 [0,2,0,0,0,0|0,0,0]=2 459 B13R1.470 CCOC(=O)CC1=CC=CC=C1N PI-30787 [0,2,0,0,0,0|0,0,0]=2 460 B13R1.470 CCOC(=O)CC1=CC=CC=C1O PI-50578 [0,2,0,0,0,0|0,0,0]=2 461 B13R1.470 CCOC(=O)CC1=CN=CN=C1Cl PI-45133 [0,2,0,0,0,0|2,0,0]=4 462 B13R1.470 CCOC(=O)CC1=CN=CNC1=O PI-45150 [0,2,0,0,0,0|2,0,0]=4 463 B13R1.470 CCOC(=O)Cc1ccccc1C PI-30581 [0,2,0,0,0,0|0,0,0]=2 464 B13R1.21 COC(=O)C(C1=CC=C(C=C1)Cl)Br PI-10150 [0,2,0,0,0,0|0,0,0]=2 465 B13R1.21 COC(=O)C(C1=CC=C(C=C1)O)N PI-45588 [0,2,0,0,0,0|0,0,0]=2 466 B13R1.532 CCC(C1=CC=CC=C1)C(=O)NN PI-50257 [0,2,0,0,0,0|2,0,0]=4 467 B13R1.696 COC(=O)C(C1=CC=CC=C1Cl)Cl PI-12503 [0,2,0,0,0,0|0,0,0]=2 468 B13R1.696 COC(=O)[C@@H](N)c1ccccc1Cl PI-11402 [0,2,0,0,0,0|0,0,0]=2 469 B13R1.696 COC(=O)[C@H](C1=CC=CC=C1Cl)N PI-48924 [0,2,0,0,0,0|0,0,0]=2 470 B13R1.708 CC(C)(C1=CC=CC=C1)C(=O)OC PI-44878 [0,2,0,0,0,0|0,0,0]=2 471 B13R1.148 CN(C)C(=O)OC1=CC=CC(=C1)N PI-44105 [0,2,0,0,0,0|2,0,0]=4 472 B13R1.353 CC(C)(C)C(=O)CC1=CC=CC=N1 PI-13333 [0,2,0,0,0,0|2,0,0]=4 473 B13R1.353 O=C(Nc1ccccc1)C(C)(C)C PI-36336 [0,2,0,0,0,0|2,0,0]=4 474 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O PI-43815 [0,2,0,0,0,0|1,0,1]=4 475 B13R1.5 CCC(=O)OC1=CC=C(C=C1)C=O PI-27641 [0,2,0,0,0,0|2,0,0]=4 476 B13R1.5 COC(=O)CC1=CC=C(C=C1)C#N PI-50503 [0,2,0,0,0,0|0,0,0]=2 477 B13R1.5 COC(=O)CC1=CC=C(C=C1)CBr PI-43975 [0,2,0,0,0,0|0,0,0]=2 478 B13R1.5 COC(=O)CC1=CC=C(C=C1)CO PI-50593 [0,2,0,0,0,0|0,0,0]=2 479 B13R1.5 COC1=CC=C(C=C1)CC(=O)NN PI-50357 [0,2,0,0,0,0|2,0,0]=4 480 B13R1.5 COC1=CC=C(C=C1)CC(=O)OC PI-50355 [0,2,0,0,0,0|0,0,0]=2 481 B13R1.249 CNS(=O)(=O)Cc1ccc(N)cc1 PI-11651 [0,2,0,0,0,0|2,0,0]=4 482 B13R1.2679 COC(=O)CC1=C(C=C(C=C1)F)Cl PI-50502 [0,2,0,0,0,0|0,0,0]=2 483 B13R1.2679 COC(=O)Cc1ccc(cc1Cl)Cl PI-38657 [0,2,0,0,0,0|0,0,0]=2 484 B13R1.2679 O=C(OC)CC1=CC=C(F)C=C1F PI-41915 [0,2,0,0,0,0|0,0,0]=2 485 B13R1.2879 COC(=O)CC1=CC(=C(C=C1)Cl)N PI-15332 [0,2,0,0,0,0|0,0,0]=2 486 B13R1.2879 COC(=O)CC1=CC(=C(C=C1)O)O PI-26350 [0,2,0,0,0,0|0,0,0]=2 487 B13R1.2879 COC(=O)Cc1ccc(F)c(F)c1 PI-30302 [0,2,0,0,0,0|0,0,0]=2 488 B13R1.2879 COC(=O)Cc1ccc(c(c1)Cl)Cl PI-38812 [0,2,0,0,0,0|0,0,0]=2 489 B13R1.40 COC(=O)Cc1cccc(c1Cl)Cl PI-38546 [0,2,0,0,0,0|0,0,0]=2 490 B13R1.81 COC1=CC=CC(=C1)CC(=O)OC PI-24193 [0,2,0,0,0,0|0,0,0]=2 491 B13R1.2874 C1=C(C=C(C=C1F)F)CC(=O)NN PI-50372 [0,2,0,0,0,0|2,0,0]=4 492 B13R1.2874 COC(=O)CC1=CC(=CC(=C1)O)O PI-46487 [0,2,0,0,0,0|0,0,0]=2 493 B13R1.3080 COP(=O)(CC1=CC=CC=C1)OC PI-33770 [0,2,0,0,0,0|1,0,0]=3 494 B13R1.91 COC(=O)CC1=CC=CC=C1C#N PI-50505 [0,2,0,0,0,0|0,0,0]=2 495 B13R1.91 COC(=O)CC1=CC=CC=C1C=O PI-50500 [0,2,0,0,0,0|0,0,0]=2 496 B13R1.91 COC(=O)Cc1ccccc1OC PI-30417 [0,2,0,0,0,0|0,0,0]=2 497 B13R1.91 COC1=CC=CC=C1CC(=O)NN PI-50382 [0,2,0,0,0,0|2,0,0]=4 498 B13R1.4928 COC(=O)CC1=C(C=CC=C1Cl)Cl PI-30700 [0,2,0,0,0,0|0,0,0]=2 499 B11R1.25 COC(=O)C=CC1=CC=CS1 PI-29331 [0,0,1,1,0,0|1,0,1]=4 500 B11R1.25 COC(=O)CCc1ccc[nH]1 PI-39032 [0,0,1,1,0,0|1,0,1]=4 501 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [1,0,0,1,0,0|2,0,0]=4 502 B11R2.1 CN1C=NC2=CC=CC=C21 PI-11703 [1,0,0,1,0,0|2,0,0]=4 503 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [1,0,0,1,0,0|2,0,0]=4 504 B11R2.1 Cn1ccc2ccccc12 PI-11080 [1,0,0,1,0,0|1,0,1]=4 505 B11R2.20 C1=Cc2c(CC1)cccc2 PI-25582 [1,0,0,1,0,0|1,0,1]=4 506 B11R2.20 C1CNCC2=CC=CC=C21 PI-17083 [1,0,0,1,0,0|1,0,1]=4 507 B11R2.20 C1CNCC2=CC=CC=C21 PI-38027 [1,0,0,1,0,0|1,0,1]=4 508 B11R2.239 C1C(CO1)C2=CC=CC=C2 PI-36427 [1,0,0,1,0,0|0,0,1]=3 509 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 PI-13499 [1,0,0,1,0,0|2,0,0]=4 510 B11R2.10 C1=CC=C2C(=C1)C=C(O2)Br PI-45424 [1,0,0,1,0,0|1,0,1]=4 511 B11R2.10 C1=CC=C2C(=C1)NC(=S)O2 PI-32430 [1,0,0,1,0,0|1,1,0]=4 512 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [1,0,0,1,0,0|0,0,0]=2 513 B11R2.10 C1C(CC2=CC=CC=C21)O PI-11612 [1,0,0,1,0,0|0,0,2]=4 514 B11R2.10 C1C2=CC=CC=C2C=C1Br PI-24035 [1,0,0,1,0,0|1,0,1]=4 515 B11R2.10 CC1=CC2=CC=CC=C2C1 PI-30321 [1,0,0,1,0,0|1,0,0]=3 516 B11R2.10 CC1=CC2=CC=CC=C2N1 PI-31662 [1,0,0,1,0,0|1,0,1]=4 517 B11R2.10 CC1=CC2=CC=CC=C2S1 PI-29081 [1,0,0,1,0,0|0,1,1]=4 518 B11R2.10 CC1=NC2=CC=CC=C2N1 PI-11865 [1,0,0,1,0,0|2,0,0]=4 519 B11R2.10 CC1=NC2=CC=CC=C2O1 PI-11866 [1,0,0,1,0,0|1,0,1]=4 520 B11R2.10 CC1CC2=CC=CC=C2O1 PI-17206 [1,0,0,1,0,0|0,0,2]=4 521 B11R2.10 CC1NC2=C(C=CC=C2)C1 PI-11338 [1,0,0,1,0,0|1,0,1]=4 522 B11R2.10 Clc1nc2ccccc2o1 PI-33937 [1,0,0,1,0,0|2,0,0]=4 523 B11R2.10 NC1CC2=C(C=CC=C2)C1 PI-37165 [1,0,0,1,0,0|1,0,1]=4 524 B11R2.10 Nc1nc2ccccc2o1 PI-17283 [1,0,0,1,0,0|2,0,0]=4 525 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [1,0,0,1,0,0|1,0,0]=3 526 B11R2.10 O=C1Cc2ccccc2O1 PI-18682 [1,0,0,1,0,0|0,0,0]=2 527 B11R2.10 O=c1oc2ccccc2[nH]1 PI-11480 [1,0,0,1,0,0|1,0,0]=3 528 B11R2.10 O=c1sc2ccccc2[nH]1 PI-12052 [1,0,0,1,0,0|1,1,0]=4 529 B11R2.10 Oc1nc2ccccc2[nH]1 PI-16421 [1,0,0,1,0,0|2,0,0]=4 530 B11R2.40 CC1(CO1)C2=CC=CC=C2 PI-47223 [0,0,0,1,1,0|1,0,1]=4 531 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 PI-10343 [0,0,0,1,0,1|0,0,0]=2 532 B13R2.10 C1C(NC(=S)O1)C2=CC=CC=C2 PI-10344 [0,0,0,1,0,1|0,1,0]=3 533 B13R2.10 C1C(NC(=S)S1)C2=CC=CC=C2 PI-16639 [0,0,0,1,0,1|0,2,0]=4 534 B13R2.10 O=C1CCC(O1)c2ccccc2 PI-18042 [0,0,0,1,0,1|1,0,0]=3 535 B13R2.10 O=C1OC[C@H](N1)c2ccccc2 PI-11224 [0,0,0,1,0,1|0,0,0]=2 536 B13R2.10 S=C1OC[C@H](N1)c2ccccc2 PI-16645 [0,0,0,1,0,1|0,1,0]=3 537 B13R2.10 S=C1SC[C@H](N1)c2ccccc2 PI-16640 [0,0,0,1,0,1|0,2,0]=4 538 B13R2.32 CC1C(=O)CCC2=CC=CC=C12 PI-17164 [0,0,0,1,0,1|1,0,0]=3 539 B13R2.33 O=C1CCC2=CC=CC=C2CC1 PI-41940 [0,0,0,1,0,1|1,0,0]=3 540 B13R2.15272 O=C(C1C2=CC=CC=C2C1)OC PI-40939 [0,0,0,1,0,1|0,0,0]=2 541 B13R2.15 C1CC(=O)N(C1)C2=CC=CC=C2 PI-13565 [0,1,0,1,0,0|2,0,0]=4 542 B13R2.163 O=C1CCCc2c(N1)cccc2 PI-22730 [0,1,0,1,0,0|2,0,0]=4 543 B13R2.328 C1C2=CC=CC=C2C(=O)NC1=O PI-40295 [0,1,0,1,0,0|1,0,1]=4 544 B13R2.328 O=C1OC(=O)c2c(C1)cccc2 PI-16185 [0,1,0,1,0,0|0,0,1]=3 545 B13R2.45 CC1=C(SC2=CC=CC=C12)C=O PI-29352 [0,1,0,1,0,0|2,0,0]=4 546 B13R2.3085 O=C1c2ccccc2N(C1=O)C PI-30280 [0,1,0,1,0,0|1,0,1]=4 547 B13R2.3683 C1CC2=C(CC1=O)C=CC(=C2)F PI-17758 [0,1,0,1,0,0|1,0,0]=3 548 B13R2.3683 O=C1CCc2c(N1)ccc(c2)N PI-34829 [0,1,0,1,0,0|2,0,0]=4 549 B13R2.3683 O=C1CCc2c(N1)ccc(c2)O PI-22828 [0,1,0,1,0,0|2,0,0]=4 550 B13R2.3683 O=C1CCc2cc(Br)ccc2C1 PI-17751 [0,1,0,1,0,0|1,0,0]=3 551 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)O PI-10242 [0,1,0,1,0,0|2,0,0]=4 552 B13R2.5179 C1CC(=O)NC2=C1C(=CC=C2)O PI-42918 [0,1,0,1,0,0|2,0,0]=4 553 B9R1.6 C1=C(C=NC=N1)C(=O)O PI-21348 [1,0,0,0,1,0|2,0,0]=4 554 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [1,0,0,0,1,0|2,0,0]=4 555 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [1,0,0,0,1,0|2,0,0]=4 556 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [1,0,0,0,1,0|1,0,0]=3 557 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [1,0,0,0,1,0|2,0,0]=4 558 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [1,0,0,0,1,0|1,0,0]=3 559 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [1,0,0,0,1,0|2,0,0]=4 560 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [1,0,0,0,1,0|2,0,0]=4 561 B9R1.6 C1=CN=NC=C1C(=O)O PI-32630 [1,0,0,0,1,0|2,0,0]=4 562 B9R1.6 C1=NC=CN=C1C(O)=O PI-14238 [1,0,0,0,1,0|2,0,0]=4 563 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [1,0,0,0,1,0|1,0,0]=3 564 B9R1.6 CC(=O)C1=CN=CN=C1 PI-40256 [1,0,0,0,1,0|2,0,0]=4 565 B9R1.6 CC(=O)C1=NC=CC=N1 PI-42079 [1,0,0,0,1,0|2,0,0]=4 566 B9R1.6 CC(=O)C1=NC=CN=C1 PI-16283 [1,0,0,0,1,0|2,0,0]=4 567 B9R1.6 CC(=O)c1cccnc1 PI-32250 [1,0,0,0,1,0|1,0,0]=3 568 B9R1.6 CC(=O)c1ccncc1 PI-38297 [1,0,0,0,1,0|1,0,0]=3 569 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [1,0,0,0,1,0|1,0,1]=4 570 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [1,0,0,0,1,0|2,0,0]=4 571 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [1,0,0,0,1,0|0,0,2]=4 572 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [1,0,0,0,1,0|1,0,1]=4 573 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [1,0,0,0,1,0|1,0,1]=4 574 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [1,0,0,0,1,0|0,0,2]=4 575 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [1,0,0,0,1,0|1,1,0]=4 576 B9R1.6 N1=C(N=CC=C1)C(=O)O PI-36489 [1,0,0,0,1,0|2,0,0]=4 577 B9R1.6 NC(=N)c1ccccc1 PI-30200 [1,0,0,0,1,0|2,0,0]=4 578 B9R1.6 NC(=O)c1cccnc1 PI-12870 [1,0,0,0,1,0|2,0,0]=4 579 B9R1.6 NC(=S)c1ccccc1 PI-29356 [1,0,0,0,1,0|1,1,0]=4 580 B9R1.6 OB(O)c1ccccc1 PI-16480 [1,0,0,0,1,0|1,0,1]=4 581 B9R1.6 OC(=O)c1cccnc1 PI-15824 [1,0,0,0,1,0|1,0,0]=3 582 B9R1.6 OC(=O)c1ccncn1 PI-32629 [1,0,0,0,1,0|2,0,0]=4 583 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [1,0,0,0,1,0|1,0,1]=4 584 B9R1.13 C1=CN(C=N1)CC(=O)O PI-10326 [1,0,0,0,1,0|2,0,0]=4 585 B9R1.13 C1=CN(C=N1)CC(=O)O PI-11655 [1,0,0,0,1,0|2,0,0]=4 586 B9R1.13 C1=CN(N=C1)CC(=O)O PI-35655 [1,0,0,0,1,0|2,0,0]=4 587 B9R1.13 C1=COC=C1CC(=O)O PI-36295 [1,0,0,0,1,0|1,0,0]=3 588 B9R1.13 C1=CSC(=C1)CC(=O)Cl PI-11881 [1,0,0,0,1,0|2,0,0]=4 589 B9R1.13 CC(=O)NC1=CC=CS1 PI-12512 [1,0,0,0,1,0|2,0,0]=4 590 B9R1.13 OC(=O)CC1=CC=C[CH-]1 PI-40764 [1,0,0,0,1,0|0,0,1]=3 591 B9R1.13 OC(=O)Cc1c[nH]cn1 PI-21909 [1,0,0,0,1,0|2,0,0]=4 592 B9R1.13 OC(=O)Cc1cccs1 PI-11148 [1,0,0,0,1,0|1,0,0]=3 593 B9R1.13 OC(=O)Cc1cscc1 PI-15240 [1,0,0,0,1,0|1,0,0]=3 594 B9R1.11 CCC(=O)C1=CC=CS1 PI-32561 [0,0,0,0,2,0|2,0,0]=4 595 B9R1.11 CCC(=O)c1ccco1 PI-17052 [0,0,0,0,2,0|2,0,0]=4 596 B9R1.11 COC(=O)C1=CC=CO1 PI-13054 [0,0,0,0,2,0|1,0,0]=3 597 B9R1.11 COC(=O)C1=CC=NN1 PI-50563 [0,0,0,0,2,0|2,0,0]=4 598 B9R1.11 COC(=O)C1=CN=CN1 PI-40206 [0,0,0,0,2,0|2,0,0]=4 599 B9R1.11 COC(=O)C1=CN=CS1 PI-25162 [0,0,0,0,2,0|2,0,0]=4 600 B9R1.11 COC(=O)C1=COC=C1 PI-19097 [0,0,0,0,2,0|1,0,0]=3 601 B9R1.11 COC(=O)c1cccs1 PI-30692 [0,0,0,0,2,0|1,0,0]=3 602 B9R1.11 O=C(C1=CC=CN1)OC PI-42625 [0,0,0,0,2,0|1,0,0]=3 603 B9R1.11 O=C(C1=CNC=C1)OC PI-46831 [0,0,0,0,2,0|1,0,0]=3 604 B13R1.718 C=CC(=O)OCCC1=CC=CC=C1 PI-49342 [0,0,0,0,0,2|1,0,1]=4 605 B13R1.718 COC(=O)CCNC1=CC=CC=C1 PI-35472 [0,0,0,0,0,2|0,0,0]=2 606 B13R1.718 COC(=O)CNCC1=CC=CC=C1 PI-36062 [0,0,0,0,0,2|0,0,0]=2 607 B13R1.718 COC(=O)CNCC1=CC=CC=C1 PI-48770 [0,0,0,0,0,2|0,0,0]=2 608 B13R1.718 COC(=O)COCC1=CC=CC=C1 PI-50530 [0,0,0,0,0,2|0,0,0]=2