0 B11R2.10 BrB1Oc2c(O1)cccc2 PI-38370 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 PI-13499 [0,0,0,0,0,0|2,0,1]=3 2 B11R2.10 C1=CC2=NN(N=C2C=C1)N PI-17282 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.10 C1=CC=C2C(=C1)C=C(O2)Br PI-45424 [0,0,0,0,0,0|2,0,0]=2 4 B11R2.10 C1=CC=C2C(=C1)C=C(S2)Br PI-40410 [0,0,0,0,0,0|2,1,0]=3 5 B11R2.10 C1=CC=C2C(=C1)N=C(S2)Cl PI-15671 [0,0,0,0,0,0|1,1,0]=2 6 B11R2.10 C1=CC=C2C(=C1)N=C(S2)F PI-23463 [0,0,0,0,0,0|1,1,0]=2 7 B11R2.10 C1=CC=C2C(=C1)N=C(S2)N PI-45314 [0,0,0,0,0,0|1,1,0]=2 8 B11R2.10 C1=CC=C2C(=C1)NC(=S)N2 PI-13021 [0,0,0,0,0,0|2,0,1]=3 9 B11R2.10 C1=CC=C2C(=C1)NC(=S)O2 PI-32430 [0,0,0,0,0,0|1,0,1]=2 10 B11R2.10 C1=CN=CC2=C1NC(=O)N2 PI-47254 [0,0,0,0,0,0|3,0,1]=4 11 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [0,0,0,0,0,0|3,0,0]=3 12 B11R2.10 C1C(CC2=CC=CC=C21)O PI-11612 [0,0,0,0,0,0|3,0,1]=4 13 B11R2.10 C1C2=CC=CC=C2C=C1Br PI-24035 [0,0,0,0,0,0|3,0,0]=3 14 B11R2.10 CC1=CC2=CC=CC=C2C1 PI-30321 [0,0,0,0,0,0|2,0,0]=2 15 B11R2.10 CC1=CC2=CC=CC=C2N1 PI-31662 [0,0,0,0,0,0|1,0,1]=2 16 B11R2.10 CC1=CC2=CC=CC=C2S1 PI-29081 [0,0,0,0,0,0|1,1,0]=2 17 B11R2.10 CC1=NC2=CC=CC=C2N1 PI-11865 [0,0,0,0,0,0|1,0,0]=1 18 B11R2.10 CC1=NC2=CC=CC=C2O1 PI-11866 [0,0,0,0,0,0|0,0,0]=0 19 B11R2.10 CC1CC2=CC=CC=C2O1 PI-17206 [0,0,0,0,0,0|1,0,1]=2 20 B11R2.10 CC1NC2=C(C=CC=C2)C1 PI-11338 [0,0,0,0,0,0|1,0,2]=3 21 B11R2.10 ClB1Oc2c(O1)cccc2 PI-38371 [0,0,0,0,0,0|3,0,0]=3 22 B11R2.10 Clc1nc2c([nH]1)cccc2 PI-31005 [0,0,0,0,0,0|2,0,0]=2 23 B11R2.10 Clc1nc2c(s1)cccn2 PI-34998 [0,0,0,0,0,0|2,1,0]=3 24 B11R2.10 Clc1nc2ccccc2o1 PI-33937 [0,0,0,0,0,0|1,0,0]=1 25 B11R2.10 Ic1cc2c(s1)cccc2 PI-38228 [0,0,0,0,0,0|2,1,0]=3 26 B11R2.10 NC1CC2=C(C=CC=C2)C1 PI-37165 [0,0,0,0,0,0|3,0,1]=4 27 B11R2.10 Nc1nc2c(s1)cccc2 PI-31667 [0,0,0,0,0,0|1,1,0]=2 28 B11R2.10 Nc1nc2ccccc2[nH]1 PI-31350 [0,0,0,0,0,0|2,0,0]=2 29 B11R2.10 Nc1nc2ccccc2o1 PI-17283 [0,0,0,0,0,0|1,0,0]=1 30 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [0,0,0,0,0,0|2,0,1]=3 31 B11R2.10 O=C1Cc2ccccc2O1 PI-18682 [0,0,0,0,0,0|2,0,0]=2 32 B11R2.10 O=c1oc2ccccc2[nH]1 PI-11480 [0,0,0,0,0,0|1,0,1]=2 33 B11R2.10 O=c1sc2ccccc2[nH]1 PI-12052 [0,0,0,0,0,0|1,1,1]=3 34 B11R2.10 Oc1nc2ccccc2[nH]1 PI-16421 [0,0,0,0,0,0|2,0,0]=2 35 B11R2.10 Sc1nc2c(s1)cccc2 PI-33935 [0,0,0,0,0,0|1,1,0]=2 36 B10R2.7 C12=C(CNC1)C=CC=C2 PI-41113 [1,0,0,0,0,0|3,0,0]=4 37 B10R2.7 C1=CC2=NC=CN2C=C1 PI-45016 [1,0,0,0,0,0|2,0,0]=3 38 B10R2.7 C1=CC2=NC=CN2N=C1 PI-13527 [1,0,0,0,0,0|3,0,0]=4 39 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [1,0,0,0,0,0|1,0,1]=3 40 B10R2.7 C1=CC=C2C(=C1)N=CO2 PI-47002 [1,0,0,0,0,0|0,0,0]=1 41 B10R2.7 C1=CC=C2C(=C1)SC=[S+]2 PI-14799 [1,0,0,0,0,0|1,1,0]=3 42 B10R2.7 C1=CN2C=CN=C2C=N1 PI-50075 [1,0,0,0,0,0|3,0,0]=4 43 B10R2.7 C1=CN2C=CN=C2N=C1 PI-33689 [1,0,0,0,0,0|3,0,0]=4 44 B10R2.7 C1=C[NH]C2=C1C=CN=C2 PI-10410 [1,0,0,0,0,0|2,0,1]=4 45 B10R2.7 C1=C[NH]C2=C1C=NC=C2 PI-10409 [1,0,0,0,0,0|2,0,1]=4 46 B10R2.7 C1CNC2=CC=CC=C21 PI-44710 [1,0,0,0,0,0|1,0,2]=4 47 B10R2.7 C1COC2=CC=CC=C21 PI-21250 [1,0,0,0,0,0|1,0,1]=3 48 B10R2.7 [B]1OC2=CC=CC=C2O1 PI-50000 [1,0,0,0,0,0|2,0,0]=3 49 B10R2.7 c1ccc2c(c1)[nH]cn2 PI-31348 [1,0,0,0,0,0|1,0,0]=2 50 B10R2.7 c1ccc2c(c1)[nH]nc2 PI-31379 [1,0,0,0,0,0|2,0,1]=4 51 B10R2.7 c1ccc2c(c1)non2 PI-38745 [1,0,0,0,0,0|2,0,0]=3 52 B10R2.7 c1ccc2ccsc2c1 PI-14247 [1,0,0,0,0,0|1,1,0]=3 53 B10R2.7 c1ccc2nsnc2c1 PI-11675 [1,0,0,0,0,0|2,0,0]=3 54 B10R2.7 c1cnc2[nH]ccc2c1 PI-16515 [1,0,0,0,0,0|2,0,1]=4 55 B10R2.7 c1cnc2c(c1)[nH]cc2 PI-10408 [1,0,0,0,0,0|2,0,1]=4 56 B10R2.7 c1ncc2c(n1)[nH]cn2 PI-38461 [1,0,0,0,0,0|3,0,0]=4 57 B10R2.7 c1ncc2sccc2c1 PI-36075 [1,0,0,0,0,0|2,1,0]=4 58 B12R2.18 Brc1c(Br)sc2c1cccc2 PI-40411 [0,1,0,0,0,0|2,1,0]=4 59 B12R2.18 CC1C(NC2=CC=CC=C12)C PI-44123 [0,1,0,0,0,0|1,0,2]=4 60 B12R2.18 CC1N(N)C2=C(C=CC=C2)C1 PI-36643 [0,1,0,0,0,0|1,0,2]=4 61 B12R2.18 CN1C2=CC=CC=C2N=C1N PI-30188 [0,1,0,0,0,0|2,0,0]=3 62 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [0,1,0,0,0,0|1,0,1]=3 63 B12R2.18 Cn1c(C)cc2c1cccc2 PI-11083 [0,1,0,0,0,0|1,0,1]=3 64 B12R2.18 NN1C(C)Cc2ccccc12 PI-16793 [0,1,0,0,0,0|1,0,2]=4 65 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [0,1,0,0,0,0|2,0,1]=4 66 B12R2.18 O=C1OC2=CC=CC=C2C1C PI-37207 [0,1,0,0,0,0|2,0,0]=3 67 B12R2.32 C1=CC=C2C(=C1)C=C(N2)CO PI-45001 [0,1,0,0,0,0|1,0,1]=3 68 B12R2.32 C1=CC=C2C(=C1)C=C(O2)C=O PI-16469 [0,1,0,0,0,0|1,0,1]=3 69 B12R2.32 C1=CC=C2C(=C1)C=C(S2)C=O PI-29507 [0,1,0,0,0,0|1,1,1]=4 70 B12R2.32 C1=CC=C2C(=C1)C=C(S2)CO PI-20808 [0,1,0,0,0,0|1,1,0]=3 71 B12R2.32 C1=CC=C2C(=C1)N=C(S2)C=O PI-14166 [0,1,0,0,0,0|0,1,1]=3 72 B12R2.32 C1=CC=C2C(=C1)N=C(S2)CBr PI-14471 [0,1,0,0,0,0|0,1,0]=2 73 B12R2.32 C1=CC=C2C(=C1)N=C(S2)CO PI-14167 [0,1,0,0,0,0|0,1,0]=2 74 B12R2.32 C1=CC=C2C(=C1)NC(=N2)CN PI-45223 [0,1,0,0,0,0|1,0,0]=2 75 B12R2.32 C1=CC=C2C(=C1)NC(=N2)CO PI-14787 [0,1,0,0,0,0|1,0,0]=2 76 B12R2.32 C1C(=NO)CC2=CC=CC=C21 PI-13702 [0,1,0,0,0,0|3,0,0]=4 77 B12R2.32 CCC1=CC2=CC=CC=C2C1 PI-29198 [0,1,0,0,0,0|2,0,0]=3 78 B12R2.32 CCC1=CC2=CC=CC=C2O1 PI-17342 [0,1,0,0,0,0|1,0,0]=2 79 B12R2.32 CC[N+]1=CC2=CC=CC=C2O1 PI-29608 [0,1,0,0,0,0|2,0,0]=3 80 B12R2.32 CNC1CC2=CC=CC=C2C1 PI-42263 [0,1,0,0,0,0|2,0,1]=4 81 B12R2.32 CSC1=NC2=CC=CC=C2O1 PI-33936 [0,1,0,0,0,0|0,0,0]=1 82 B12R2.32 CSC1=NC2=CC=CC=C2S1 PI-45375 [0,1,0,0,0,0|0,1,0]=2 83 B12R2.32 ClCC1=NC2=CC=CC=C2N1 PI-16189 [0,1,0,0,0,0|1,0,0]=2 84 B12R2.32 N#CC=1NC2=C(C1)C=CC=C2 PI-46707 [0,1,0,0,0,0|1,0,2]=4 85 B12R2.32 NCc1cc2c(s1)cccc2 PI-38175 [0,1,0,0,0,0|1,1,0]=3 86 B12R2.32 NNC1=NC2=CC=CC=C2S1 PI-29771 [0,1,0,0,0,0|1,1,0]=3 87 B12R2.32 O=CC1=CN2C=CC=CC2=N1 PI-41423 [0,1,0,0,0,0|2,0,1]=4 88 B12R2.32 O=Cc1cc2ccccc2[nH]1 PI-31918 [0,1,0,0,0,0|1,0,2]=4 89 B12R2.32 O=Cc1nc2c([nH]1)cccc2 PI-14803 [0,1,0,0,0,0|1,0,1]=3 90 B12R2.95 C1=CC=C2C(=C1)OC(O2)(F)F PI-21135 [0,1,0,0,0,0|2,0,1]=4 91 B12R2.202 C1=CC(=C2C(=C1)SC(=N2)Cl)F PI-45320 [0,1,0,0,0,0|1,1,0]=3 92 B12R2.202 C1=CC(=C2C(=C1)SC(=N2)N)F PI-45305 [0,1,0,0,0,0|1,1,0]=3 93 B12R2.202 C1=CC(=C2C(=C1)SC(=O)N2)F PI-45347 [0,1,0,0,0,0|1,1,1]=4 94 B12R2.202 C1=CC(=C2C(=C1)SC(=S)N2)F PI-45334 [0,1,0,0,0,0|1,1,1]=4 95 B12R2.202 C1=CC2=C(C(=C1)Br)SC(=N2)N PI-45303 [0,1,0,0,0,0|1,1,0]=3 96 B12R2.202 C1=CC2=C(C(=C1)Cl)N=C(S2)Cl PI-45318 [0,1,0,0,0,0|1,1,0]=3 97 B12R2.202 C1=CC2=C(C(=C1)Cl)N=C(S2)N PI-30271 [0,1,0,0,0,0|1,1,0]=3 98 B12R2.202 C1=CC2=C(C(=C1)Cl)N=C(S2)N PI-45315 [0,1,0,0,0,0|1,1,0]=3 99 B12R2.202 C1=CC2=C(C(=C1)Cl)NC(=S)S2 PI-45330 [0,1,0,0,0,0|1,1,1]=4 100 B12R2.202 C1=CC2=C(C(=C1)Cl)SC(=N2)Cl PI-45319 [0,1,0,0,0,0|1,1,0]=3 101 B12R2.202 C1=CC2=C(C(=C1)Cl)SC(=N2)N PI-45114 [0,1,0,0,0,0|1,1,0]=3 102 B12R2.202 C1=CC2=C(C(=C1)Cl)SC(=O)N2 PI-45344 [0,1,0,0,0,0|1,1,1]=4 103 B12R2.202 C1=CC2=C(C(=C1)Cl)SC(=S)N2 PI-45332 [0,1,0,0,0,0|1,1,1]=4 104 B12R2.202 C1=CC2=NC(=NN2C(=C1)Br)Br PI-50031 [0,1,0,0,0,0|3,0,0]=4 105 B12R2.202 C1=CC2=NC(=NN2C(=C1)Cl)N PI-42464 [0,1,0,0,0,0|3,0,0]=4 106 B12R2.202 C1C(=O)CC2=C1C=CC=C2Br PI-32756 [0,1,0,0,0,0|3,0,0]=4 107 B12R2.202 C1C(=O)CC2=C1C=CC=C2Cl PI-32755 [0,1,0,0,0,0|3,0,0]=4 108 B12R2.202 C1C2=C(C(=CC=C2)Cl)NC1=O PI-33957 [0,1,0,0,0,0|2,0,1]=4 109 B12R2.202 CC1=C2C(=CC=C1)SC(=N2)C PI-45361 [0,1,0,0,0,0|0,1,0]=2 110 B12R2.202 CC1=C2C(=CC=C1)SC(=N2)Cl PI-45326 [0,1,0,0,0,0|1,1,0]=3 111 B12R2.202 CC1=C2C(=CC=C1)SC(=O)N2 PI-45350 [0,1,0,0,0,0|1,1,1]=4 112 B12R2.202 CC1=C2C(=CC=C1)SC(=S)N2 PI-45337 [0,1,0,0,0,0|1,1,1]=4 113 B12R2.202 CC1=CC2=C(N1)C=CC=C2O PI-18492 [0,1,0,0,0,0|1,0,1]=3 114 B12R2.202 CC=1CC2=C(C1)C(=CC=C2)Br PI-40277 [0,1,0,0,0,0|2,0,0]=3 115 B12R2.202 CC=1CC2=C(C1)C=CC=C2Br PI-40278 [0,1,0,0,0,0|2,0,0]=3 116 B12R2.202 CN1C=C2C(=N1)C=CC=C2Br PI-34928 [0,1,0,0,0,0|2,0,0]=3 117 B12R2.202 CN1C=C2C(=N1)C=CC=C2Cl PI-34929 [0,1,0,0,0,0|2,0,0]=3 118 B12R2.202 CN1C=C2C(=N1)C=CC=C2N PI-34927 [0,1,0,0,0,0|2,0,0]=3 119 B12R2.202 CN1C=C2C=CC=C(C2=N1)N PI-34895 [0,1,0,0,0,0|2,0,0]=3 120 B12R2.202 ClC1=CN=CC2=C1N=C(Cl)S2 PI-46801 [0,1,0,0,0,0|2,1,0]=4 121 B12R2.202 FC1=C2C(NC(Cl)=N2)=CC=C1 PI-46690 [0,1,0,0,0,0|2,0,0]=3 122 B12R2.202 NC1=NN2C(Br)=CC=CC2=N1 PI-42463 [0,1,0,0,0,0|3,0,0]=4 123 B12R2.202 Nc1sc2c(n1)c(C)ccc2 PI-11118 [0,1,0,0,0,0|1,1,0]=3 124 B12R2.202 O=C1NC2=C(C=CC=C2F)C1 PI-40280 [0,1,0,0,0,0|2,0,1]=4 125 B12R2.202 Oc1sc2c(n1)c(Cl)ccc2 PI-11976 [0,1,0,0,0,0|1,1,0]=3 126 B12R2.606 Brc1ccc2c(c1)sc(n2)N PI-20537 [0,1,0,0,0,0|1,1,0]=3 127 B12R2.606 Brc1ccc2nc(C)nn2c1 PI-36114 [0,1,0,0,0,0|2,0,0]=3 128 B12R2.606 C1=CC(=CC2=C1SC(=N2)N)Cl PI-11789 [0,1,0,0,0,0|1,1,0]=3 129 B12R2.606 C1=CC2=C(C=C1Br)N=C(S2)Cl PI-45323 [0,1,0,0,0,0|1,1,0]=3 130 B12R2.606 C1=CC2=C(C=C1Br)N=C(S2)N PI-45302 [0,1,0,0,0,0|1,1,0]=3 131 B12R2.606 C1=CC2=C(C=C1Br)NC(=N2)Cl PI-47255 [0,1,0,0,0,0|2,0,0]=3 132 B12R2.606 C1=CC2=C(C=C1Br)NC(=O)N2 PI-45071 [0,1,0,0,0,0|2,0,1]=4 133 B12R2.606 C1=CC2=C(C=C1Br)NC(=O)S2 PI-45345 [0,1,0,0,0,0|1,1,1]=4 134 B12R2.606 C1=CC2=C(C=C1Br)NC(=S)N2 PI-45216 [0,1,0,0,0,0|2,0,1]=4 135 B12R2.606 C1=CC2=C(C=C1Br)NC(=S)S2 PI-32978 [0,1,0,0,0,0|1,1,1]=4 136 B12R2.606 C1=CC2=C(C=C1Br)OC(=N2)N PI-34879 [0,1,0,0,0,0|1,0,0]=2 137 B12R2.606 C1=CC2=C(C=C1Br)SC(=N2)Cl PI-31556 [0,1,0,0,0,0|1,1,0]=3 138 B12R2.606 C1=CC2=C(C=C1Br)SC(=O)N2 PI-45346 [0,1,0,0,0,0|1,1,1]=4 139 B12R2.606 C1=CC2=C(C=C1Br)SC(=S)N2 PI-45333 [0,1,0,0,0,0|1,1,1]=4 140 B12R2.606 C1=CC2=C(C=C1Cl)N=C(O2)N PI-30784 [0,1,0,0,0,0|1,0,0]=2 141 B12R2.606 C1=CC2=C(C=C1Cl)N=C(S2)Br PI-45388 [0,1,0,0,0,0|1,1,0]=3 142 B12R2.606 C1=CC2=C(C=C1Cl)N=C(S2)Cl PI-35895 [0,1,0,0,0,0|1,1,0]=3 143 B12R2.606 C1=CC2=C(C=C1Cl)NC(=O)S2 PI-12815 [0,1,0,0,0,0|1,1,1]=4 144 B12R2.606 C1=CC2=C(C=C1Cl)NC(=S)N2 PI-19368 [0,1,0,0,0,0|2,0,1]=4 145 B12R2.606 C1=CC2=C(C=C1Cl)NC(=S)S2 PI-28622 [0,1,0,0,0,0|1,1,1]=4 146 B12R2.606 C1=CC2=C(C=C1Cl)OC(=O)N2 PI-12045 [0,1,0,0,0,0|1,0,1]=3 147 B12R2.606 C1=CC2=C(C=C1Cl)OC(=S)N2 PI-12043 [0,1,0,0,0,0|1,0,1]=3 148 B12R2.606 C1=CC2=C(C=C1Cl)SC(=N2)Cl PI-44964 [0,1,0,0,0,0|1,1,0]=3 149 B12R2.606 C1=CC2=C(C=C1Cl)SC(=N2)N PI-45316 [0,1,0,0,0,0|1,1,0]=3 150 B12R2.606 C1=CC2=C(C=C1Cl)SC(=O)N2 PI-45343 [0,1,0,0,0,0|1,1,1]=4 151 B12R2.606 C1=CC2=C(C=C1Cl)SC(=S)N2 PI-45331 [0,1,0,0,0,0|1,1,1]=4 152 B12R2.606 C1=CC2=C(C=C1F)N=C(S2)Cl PI-45321 [0,1,0,0,0,0|1,1,0]=3 153 B12R2.606 C1=CC2=C(C=C1F)N=C(S2)N PI-45304 [0,1,0,0,0,0|1,1,0]=3 154 B12R2.606 C1=CC2=C(C=C1F)NC(=O)S2 PI-45348 [0,1,0,0,0,0|1,1,1]=4 155 B12R2.606 C1=CC2=C(C=C1F)NC(=S)N2 PI-45213 [0,1,0,0,0,0|2,0,1]=4 156 B12R2.606 C1=CC2=C(C=C1F)NC(=S)S2 PI-45335 [0,1,0,0,0,0|1,1,1]=4 157 B12R2.606 C1=CC2=C(C=C1F)SC(=N2)Cl PI-45322 [0,1,0,0,0,0|1,1,0]=3 158 B12R2.606 C1=CC2=C(C=C1F)SC(=O)N2 PI-45349 [0,1,0,0,0,0|1,1,1]=4 159 B12R2.606 C1=CC2=C(C=C1F)SC(=S)N2 PI-45336 [0,1,0,0,0,0|1,1,1]=4 160 B12R2.606 C1=CC2=C(C=C1I)SC(=N2)N PI-45307 [0,1,0,0,0,0|1,1,0]=3 161 B12R2.606 C1=CC2=C(C=C1N)NC(=O)N2 PI-28900 [0,1,0,0,0,0|2,0,1]=4 162 B12R2.606 C1=CC2=C(C=C1N)SC(=O)N2 PI-45354 [0,1,0,0,0,0|1,1,1]=4 163 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)Br PI-32762 [0,1,0,0,0,0|3,0,0]=4 164 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)F PI-32760 [0,1,0,0,0,0|3,0,0]=4 165 B12R2.606 C1C2=C(C=C(C=C2)F)NC1=O PI-22722 [0,1,0,0,0,0|2,0,1]=4 166 B12R2.606 C1C2=C(C=C(C=C2)I)NC1=O PI-48996 [0,1,0,0,0,0|2,0,1]=4 167 B12R2.606 C1C2=C(C=CC(=C2)Cl)NC1=O PI-10011 [0,1,0,0,0,0|2,0,1]=4 168 B12R2.606 C1C2=C(C=CC(=C2)I)NC1=O PI-48127 [0,1,0,0,0,0|2,0,1]=4 169 B12R2.606 CC1=CC2=C(C=C1)N=C(N2)C PI-45227 [0,1,0,0,0,0|1,0,0]=2 170 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C PI-45362 [0,1,0,0,0,0|0,1,0]=2 171 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)Cl PI-45327 [0,1,0,0,0,0|1,1,0]=3 172 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)N PI-45051 [0,1,0,0,0,0|1,1,0]=3 173 B12R2.606 CC1=CC2=C(C=C1)NC(=C2)C PI-23861 [0,1,0,0,0,0|1,0,1]=3 174 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 PI-45351 [0,1,0,0,0,0|1,1,1]=4 175 B12R2.606 CC1=CC2=C(C=C1)NC(=S)N2 PI-11853 [0,1,0,0,0,0|2,0,1]=4 176 B12R2.606 CC1=CC2=C(C=C1)NC(=S)S2 PI-45338 [0,1,0,0,0,0|1,1,1]=4 177 B12R2.606 CC1=CC2=C(C=C1)OC(=N2)C PI-28651 [0,1,0,0,0,0|0,0,0]=1 178 B12R2.606 CC1=CC2=C(C=C1)SC(=C2)Br PI-29061 [0,1,0,0,0,0|2,1,0]=4 179 B12R2.606 CC1=CC2=C(C=C1)SC(=S)N2 PI-45342 [0,1,0,0,0,0|1,1,1]=4 180 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)Br PI-18077 [0,1,0,0,0,0|1,0,1]=3 181 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)F PI-21877 [0,1,0,0,0,0|1,0,1]=3 182 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)N PI-14108 [0,1,0,0,0,0|1,0,1]=3 183 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)O PI-27141 [0,1,0,0,0,0|1,0,1]=3 184 B12R2.606 CC1=CC2=C(SC(N)=N2)C=C1 PI-11119 [0,1,0,0,0,0|1,1,0]=3 185 B12R2.606 CC1=NC2=C(N1)C=C(C=C2)Br PI-45019 [0,1,0,0,0,0|1,0,0]=2 186 B12R2.606 CC1=NC2=C(N1)C=C(C=C2)Cl PI-32334 [0,1,0,0,0,0|1,0,0]=2 187 B12R2.606 CC1=NC2=C(N1)C=C(C=C2)F PI-45214 [0,1,0,0,0,0|1,0,0]=2 188 B12R2.606 CC1=NC2=C(N1)C=C(C=C2)I PI-48362 [0,1,0,0,0,0|1,0,0]=2 189 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)Cl PI-13544 [0,1,0,0,0,0|0,0,0]=1 190 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)O PI-34999 [0,1,0,0,0,0|0,0,0]=1 191 B12R2.606 CC1=NC2=C(S1)C=C(C=C2)Br PI-45372 [0,1,0,0,0,0|0,1,0]=2 192 B12R2.606 CC1=NC2=C(S1)C=C(C=C2)Cl PI-45371 [0,1,0,0,0,0|0,1,0]=2 193 B12R2.606 CC1=NC2=C(S1)C=CC(=C2)Br PI-28710 [0,1,0,0,0,0|0,1,0]=2 194 B12R2.606 CC1=NC2=C(S1)C=CC(=C2)Cl PI-11862 [0,1,0,0,0,0|0,1,0]=2 195 B12R2.606 CC1=NC2=C(S1)C=CC(=C2)N PI-30119 [0,1,0,0,0,0|0,1,0]=2 196 B12R2.606 CC1=NC2=NC=C(Br)C=C2O1 PI-46761 [0,1,0,0,0,0|1,0,0]=2 197 B12R2.606 CC=1NC2=C(C1)C=CC(=C2)Br PI-46796 [0,1,0,0,0,0|1,0,1]=3 198 B12R2.606 CN1C=C2C=C(C=CC2=N1)Br PI-34943 [0,1,0,0,0,0|2,0,0]=3 199 B12R2.606 CN1C=C2C=C(C=CC2=N1)Cl PI-34944 [0,1,0,0,0,0|2,0,0]=3 200 B12R2.606 CN1C=C2C=C(C=CC2=N1)N PI-34942 [0,1,0,0,0,0|2,0,0]=3 201 B12R2.606 CN1C=C2C=CC(=CC2=N1)Br PI-34965 [0,1,0,0,0,0|2,0,0]=3 202 B12R2.606 CN1C=C2C=CC(=CC2=N1)Cl PI-34966 [0,1,0,0,0,0|2,0,0]=3 203 B12R2.606 CN1C=C2C=CC(=CC2=N1)F PI-34967 [0,1,0,0,0,0|2,0,0]=3 204 B12R2.606 CN1C=C2C=CC(=CC2=N1)N PI-34964 [0,1,0,0,0,0|2,0,0]=3 205 B12R2.606 Cc1ccc2c(c1)nc(s2)Cl PI-35896 [0,1,0,0,0,0|1,1,0]=3 206 B12R2.606 Clc1ccc2[nH]c(C)cc2c1 PI-27064 [0,1,0,0,0,0|1,0,1]=3 207 B12R2.606 Clc1ccc2c(c1)sc(n2)N PI-11476 [0,1,0,0,0,0|1,1,0]=3 208 B12R2.606 Clc1ccc2nc(Cl)oc2c1 PI-10542 [0,1,0,0,0,0|1,0,0]=2 209 B12R2.606 FC1=CC=C2C(N=C(Cl)N2)=C1 PI-46728 [0,1,0,0,0,0|2,0,0]=3 210 B12R2.606 Fc1ccc2c(c1)sc(n2)Br PI-38240 [0,1,0,0,0,0|1,1,0]=3 211 B12R2.606 Fc1ccc2c(c1)sc(n2)N PI-10111 [0,1,0,0,0,0|1,1,0]=3 212 B12R2.606 Fc1ccc2sc(C)nc2c1 PI-28495 [0,1,0,0,0,0|0,1,0]=2 213 B12R2.606 NC1=CC=C2C(N=C(S)N2)=C1 PI-30424 [0,1,0,0,0,0|2,0,0]=3 214 B12R2.606 NC1=CC=C2N=C(C)SC2=C1 PI-46625 [0,1,0,0,0,0|0,1,0]=2 215 B12R2.606 NC1=NC2=C(N1)C=C(Cl)C=C2 PI-11794 [0,1,0,0,0,0|2,0,0]=3 216 B12R2.606 Nc1ccc2c(c1)oc(n2)C PI-37803 [0,1,0,0,0,0|0,0,0]=1 217 B12R2.606 Nc1ccc2nc(S)sc2c1 PI-30026 [0,1,0,0,0,0|1,1,0]=3 218 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 PI-32761 [0,1,0,0,0,0|3,0,0]=4 219 B12R2.606 O=C1Cc2c(N1)cc(cc2)Br PI-14491 [0,1,0,0,0,0|2,0,1]=4 220 B12R2.606 O=C1Cc2ccc(Cl)cc2N1 PI-10012 [0,1,0,0,0,0|2,0,1]=4 221 B12R2.606 O=C1NC2=CC(F)=CC=C2N1 PI-46692 [0,1,0,0,0,0|2,0,1]=4 222 B12R2.606 O=C1Nc2c(C1)cc(cc2)Br PI-31105 [0,1,0,0,0,0|2,0,1]=4 223 B12R2.606 O=C1Nc2c(C1)cc(cc2)F PI-22697 [0,1,0,0,0,0|2,0,1]=4 224 B12R2.606 O=C1Nc2c(C1)cc(cc2)N PI-10591 [0,1,0,0,0,0|2,0,1]=4 225 B12R2.606 O=C1Nc2c(C1)cc(cc2)O PI-11085 [0,1,0,0,0,0|2,0,1]=4 226 B12R2.606 O=C1Oc2c(C1)cc(cc2)O PI-30406 [0,1,0,0,0,0|2,0,0]=3 227 B12R2.606 OC1=CC=C2SC(=O)OC2=C1 PI-34883 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.4 C1=CC=C(C(=C1)C=NN)O PI-27488 [0,0,1,0,0,0|3,0,0]=4 229 B10R1.4 C1=CC=C(C(=C1)N=C=O)Br PI-14503 [0,0,1,0,0,0|2,0,1]=4 230 B10R1.4 C1=CC=C(C(=C1)N=C=O)Cl PI-11418 [0,0,1,0,0,0|2,0,1]=4 231 B10R1.4 C1=CC=C(C(=C1)N=C=S)Br PI-14504 [0,0,1,0,0,0|2,0,1]=4 232 B10R1.4 C1=CC=C(C(=C1)N=C=S)F PI-19528 [0,0,1,0,0,0|2,0,1]=4 233 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [0,0,1,0,0,0|1,0,1]=3 234 B10R1.4 CC1=CC=CC=C1N=C=O PI-11410 [0,0,1,0,0,0|2,0,1]=4 235 B10R1.4 CCNC1=CC=CC=C1F PI-22091 [0,0,1,0,0,0|1,0,2]=4 236 B10R1.4 CCOC1=CC=CC=C1F PI-23815 [0,0,1,0,0,0|1,0,1]=3 237 B10R1.4 CCOC1=CC=CC=C1N PI-30971 [0,0,1,0,0,0|0,0,2]=3 238 B10R1.4 CCOc1ccncc1N PI-33891 [0,0,1,0,0,0|1,0,2]=4 239 B10R1.4 O=C=Nc1ccccc1F PI-26192 [0,0,1,0,0,0|2,0,1]=4 240 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [0,0,1,0,0,0|3,0,0]=4 241 B10R1.18 BrC(=Cc1ccccc1)Br PI-35682 [0,0,1,0,0,0|3,0,0]=4 242 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [0,0,1,0,0,0|3,0,0]=4 243 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [0,0,1,0,0,0|3,0,0]=4 244 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [0,0,1,0,0,0|2,0,0]=3 245 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [0,0,1,0,0,0|1,0,1]=3 246 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [0,0,1,0,0,0|3,0,0]=4 247 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [0,0,1,0,0,0|2,0,0]=3 248 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [0,0,1,0,0,0|2,0,1]=4 249 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [0,0,1,0,0,0|2,0,1]=4 250 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [0,0,1,0,0,0|2,0,1]=4 251 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [0,0,1,0,0,0|1,0,2]=4 252 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [0,0,1,0,0,0|2,0,1]=4 253 B10R1.18 ClC(=S)Oc1ccccc1 PI-13044 [0,0,1,0,0,0|2,0,0]=3 254 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [0,0,1,0,0,0|2,0,0]=3 255 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [0,0,1,0,0,0|3,0,0]=4 256 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [0,0,1,0,0,0|3,0,0]=4 257 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [0,0,0,0,1,0|2,0,0]=3 258 B10R2.320 C1C(C2=CC=CC=C21)Br PI-40935 [0,0,0,0,1,0|2,0,1]=4 259 B12R2.24 Brc1ccc2ccccc2c1 PI-11812 [0,0,0,0,0,1|3,0,0]=4 260 B12R2.24 C1=CC(=NC2=C1C=NC=C2)N PI-48335 [0,0,0,0,0,1|3,0,0]=4 261 B12R2.24 C1=CC2=C(C=CC(=N2)Cl)N=C1 PI-45472 [0,0,0,0,0,1|3,0,0]=4 262 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [0,0,0,0,0,1|2,0,1]=4 263 B12R2.24 C1=CC2=NC=C(C=C2N=C1)I PI-45476 [0,0,0,0,0,1|3,0,0]=4 264 B12R2.24 C1=CC2=NC=C(C=C2N=C1)N PI-45475 [0,0,0,0,0,1|3,0,0]=4 265 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br PI-16426 [0,0,0,0,0,1|2,0,0]=3 266 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O PI-35162 [0,0,0,0,0,1|2,0,0]=3 267 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Br PI-29304 [0,0,0,0,0,1|2,0,0]=3 268 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)N PI-11108 [0,0,0,0,0,1|2,0,0]=3 269 B12R2.24 C1=CC=C2C(=C1)C=CC(=S)N2 PI-29414 [0,0,0,0,0,1|2,0,1]=4 270 B12R2.24 C1=CC=C2C(=C1)N=CC(=N2)Cl PI-49348 [0,0,0,0,0,1|2,0,0]=3 271 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [0,0,0,0,0,1|2,0,0]=3 272 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl PI-24669 [0,0,0,0,0,1|3,0,0]=4 273 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [0,0,0,0,0,1|2,0,1]=4 274 B12R2.24 CC1=CC2=CC=CC=C2N=C1 PI-16429 [0,0,0,0,0,1|1,0,0]=2 275 B12R2.24 CC1=CC=C2N=CC=CC2=N1 PI-40595 [0,0,0,0,0,1|2,0,0]=3 276 B12R2.24 CC1CCC2=CC=CC=C2N1 PI-33332 [0,0,0,0,0,1|1,0,2]=4 277 B12R2.24 Cc1ccc2c(n1)cccc2 PI-11867 [0,0,0,0,0,1|1,0,0]=2 278 B12R2.24 Clc1ccc2ccccc2n1 PI-16418 [0,0,0,0,0,1|2,0,0]=3 279 B12R2.24 FC1=CC=C2C=CC=CC2=C1 PI-37208 [0,0,0,0,0,1|3,0,0]=4 280 B12R2.24 Ic1ccc2c(c1)cccc2 PI-18754 [0,0,0,0,0,1|3,0,0]=4 281 B12R2.24 NC1=NC=C2C=CC=CC2=N1 PI-46795 [0,0,0,0,0,1|2,0,0]=3 282 B12R2.24 Nc1ccc2c(c1)cccc2 PI-25969 [0,0,0,0,0,1|3,0,0]=4 283 B12R2.24 Nc1cnc2ccccc2c1 PI-29717 [0,0,0,0,0,1|2,0,0]=3 284 B12R2.24 Nc1ncc2ccccc2c1 PI-14103 [0,0,0,0,0,1|2,0,0]=3 285 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [0,0,0,0,0,1|3,0,0]=4 286 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [0,0,0,0,0,1|2,0,1]=4 287 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [0,0,0,0,0,1|1,1,1]=4 288 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [0,0,0,0,0,1|2,0,0]=3 289 B12R2.24 Oc1ccc2c(n1)cccc2 PI-17352 [0,0,0,0,0,1|2,0,0]=3 290 B12R2.24 SC1=CC=C2C=CC=CC2=C1 PI-25970 [0,0,0,0,0,1|3,0,0]=4 291 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [1,0,1,0,0,0|2,0,0]=4 292 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [1,0,1,0,0,0|1,0,1]=4 293 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [1,0,1,0,0,0|1,0,1]=4 294 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [1,0,1,0,0,0|1,0,1]=4 295 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [1,0,1,0,0,0|1,0,1]=4 296 B9R1.8 COCC1=CC=CC=C1 PI-19695 [1,0,1,0,0,0|2,0,0]=4 297 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [1,0,1,0,0,0|1,0,0]=3 298 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [1,0,1,0,0,0|1,0,0]=3 299 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [1,0,1,0,0,0|2,0,0]=4 300 B9R1.15 C1=CC(=C(N=C1)C=O)O PI-20863 [1,0,1,0,0,0|2,0,0]=4 301 B9R1.15 C1=CC=C(C(=C1)C=O)Br PI-11807 [1,0,1,0,0,0|2,0,0]=4 302 B9R1.15 C1=CN=CC(=C1C=O)O PI-34863 [1,0,1,0,0,0|2,0,0]=4 303 B9R1.15 C=CC1=CC=CC=C1Br PI-14519 [1,0,1,0,0,0|1,0,1]=4 304 B9R1.15 C=Cc1ccccc1F PI-33746 [1,0,1,0,0,0|1,0,1]=4 305 B9R1.15 CC1=CC=CC=C1C=O PI-27677 [1,0,1,0,0,0|2,0,0]=4 306 B9R1.15 CCC1=CC=CC=C1Br PI-19276 [1,0,1,0,0,0|1,0,1]=4 307 B9R1.15 CCC1=CC=CC=C1Cl PI-19970 [1,0,1,0,0,0|1,0,1]=4 308 B9R1.15 CCC1=CC=CC=C1I PI-19242 [1,0,1,0,0,0|1,0,1]=4 309 B9R1.15 CCc1ccccc1C PI-36541 [1,0,1,0,0,0|1,0,1]=4 310 B9R1.15 CNC1=CC=CC=C1F PI-28236 [1,0,1,0,0,0|1,0,1]=4 311 B9R1.15 CNC1=CC=CC=C1N PI-23401 [1,0,1,0,0,0|1,0,1]=4 312 B9R1.15 CNC1=CC=CC=C1N PI-28564 [1,0,1,0,0,0|1,0,1]=4 313 B9R1.15 COC1=C(C=CC=N1)Br PI-26112 [1,0,1,0,0,0|2,0,0]=4 314 B9R1.15 COC1=C(C=CC=N1)N PI-24213 [1,0,1,0,0,0|1,0,1]=4 315 B9R1.15 COC1=C(N=CC=C1)I PI-26982 [1,0,1,0,0,0|2,0,0]=4 316 B9R1.15 COC1=CC=CC=C1Br PI-34200 [1,0,1,0,0,0|1,0,0]=3 317 B9R1.15 COC1=CC=CC=C1Cl PI-34199 [1,0,1,0,0,0|1,0,0]=3 318 B9R1.15 COC1=CC=CC=C1F PI-12348 [1,0,1,0,0,0|1,0,0]=3 319 B9R1.15 COC1=CC=CC=C1I PI-50209 [1,0,1,0,0,0|1,0,0]=3 320 B9R1.15 COc1ccc[nH]c1=O PI-26288 [1,0,1,0,0,0|2,0,0]=4 321 B9R1.15 COc1ccccc1S PI-21364 [1,0,1,0,0,0|1,0,0]=3 322 B9R1.15 COc1cccnc1Br PI-26342 [1,0,1,0,0,0|2,0,0]=4 323 B9R1.15 COc1cccnc1Cl PI-27671 [1,0,1,0,0,0|2,0,0]=4 324 B9R1.15 CSC1=CC=CC=C1Br PI-11815 [1,0,1,0,0,0|1,1,0]=4 325 B9R1.15 CSC1=CC=CC=C1Cl PI-11833 [1,0,1,0,0,0|1,1,0]=4 326 B9R1.15 CSC1=CC=CC=C1F PI-11849 [1,0,1,0,0,0|1,1,0]=4 327 B9R1.15 CSC1=CC=CC=C1O PI-20874 [1,0,1,0,0,0|1,0,0]=3 328 B9R1.15 CSc1ccccc1I PI-13705 [1,0,1,0,0,0|1,1,0]=4 329 B9R1.15 N#Cc1ccccc1O PI-11836 [1,0,1,0,0,0|1,0,1]=4 330 B9R1.15 NC1=NC=CC=C1OC PI-39996 [1,0,1,0,0,0|1,0,1]=4 331 B9R1.15 O=CC1=CC=CC=C1I PI-27403 [1,0,1,0,0,0|2,0,0]=4 332 B9R1.15 O=Cc1ccccc1Cl PI-34387 [1,0,1,0,0,0|2,0,0]=4 333 B9R1.15 O=Cc1ccccc1F PI-27600 [1,0,1,0,0,0|2,0,0]=4 334 B9R1.15 OCc1ccccc1O PI-36548 [1,0,1,0,0,0|1,0,1]=4 335 B11R1.13 CCOC1=C(C(=CC=C1)F)F PI-21166 [0,1,1,0,0,0|1,0,1]=4 336 B11R1.41 CCOc1ccccc1C#N PI-16029 [0,1,1,0,0,0|0,0,2]=4 337 B11R1.41 COC1=CC=CC=C1N=C=O PI-11426 [0,1,1,0,0,0|1,0,1]=4 338 B11R1.81 CCCC1=C(C=C(C=C1)O)O PI-19259 [0,1,1,0,0,0|1,0,1]=4 339 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O PI-10304 [0,1,1,0,0,0|2,0,0]=4 340 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [0,1,1,0,0,0|2,0,0]=4 341 B11R1.86 CC(=O)NC1=CC=CC=C1Br PI-50525 [0,1,1,0,0,0|1,0,1]=4 342 B11R1.86 CC(=O)NC1=CC=CC=C1F PI-34151 [0,1,1,0,0,0|1,0,1]=4 343 B11R1.86 CC(=O)NC1=CC=CC=C1O PI-11773 [0,1,1,0,0,0|0,0,1]=3 344 B11R1.86 CC(=O)Nc1ccccc1N PI-39094 [0,1,1,0,0,0|1,0,1]=4 345 B11R1.86 CC(=O)OC1=CC=CC=C1Cl PI-10924 [0,1,1,0,0,0|1,0,0]=3 346 B11R1.86 CC1=CC=CC=C1N=C(N)N PI-47265 [0,1,1,0,0,0|2,0,0]=4 347 B11R1.182 CCOC1=C(C=CC(=C1)N)Br PI-16386 [0,1,1,0,0,0|1,0,1]=4 348 B11R1.222 CCC(=O)c1ccccc1O PI-15452 [0,1,1,0,0,0|1,0,1]=4 349 B11R1.605 CCCc1c(O)cccc1O PI-19109 [0,1,1,0,0,0|1,0,1]=4 350 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [0,1,1,0,0,0|2,0,0]=4 351 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [0,1,1,0,0,0|2,0,0]=4 352 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [0,1,1,0,0,0|2,0,0]=4 353 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [0,1,1,0,0,0|1,0,1]=4 354 B11R1.20 C1=CC(=CC=C1N)N=C(N)N PI-47263 [0,1,1,0,0,0|2,0,0]=4 355 B11R1.20 C1=CC(=CC=C1N=C(N)N)I PI-47260 [0,1,1,0,0,0|2,0,0]=4 356 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl PI-18893 [0,1,1,0,0,0|2,0,0]=4 357 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [0,1,1,0,0,0|1,0,1]=4 358 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 PI-26690 [0,1,1,0,0,0|0,0,1]=3 359 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br PI-24030 [0,1,1,0,0,0|0,0,2]=4 360 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [0,1,1,0,0,0|0,0,2]=4 361 B11R1.20 CC(=O)NC1=CC=C(C=C1)S PI-26064 [0,1,1,0,0,0|0,0,2]=4 362 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [0,1,1,0,0,0|1,0,0]=3 363 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [0,1,1,0,0,0|1,0,0]=3 364 B11R1.20 CC(=O)Oc1ccc(cc1)Br PI-35155 [0,1,1,0,0,0|1,0,0]=3 365 B11R1.20 CC(=O)SC1=CC=C(C=C1)I PI-35183 [0,1,1,0,0,0|1,0,1]=4 366 B11R1.20 CC(C)OC1=CC=C(C=C1)N PI-28808 [0,1,1,0,0,0|1,0,1]=4 367 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [0,1,1,0,0,0|1,0,0]=3 368 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [0,1,1,0,0,0|2,0,0]=4 369 B11R1.20 ClC(=S)Oc1ccc(C)cc1 PI-24674 [0,1,1,0,0,0|2,0,0]=4 370 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [0,1,1,0,0,0|2,0,0]=4 371 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [0,1,1,0,0,0|2,0,0]=4 372 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [0,1,1,0,0,0|2,0,0]=4 373 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [0,1,1,0,0,0|2,0,0]=4 374 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br PI-12709 [0,1,1,0,0,0|2,0,0]=4 375 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N PI-18442 [0,1,1,0,0,0|2,0,0]=4 376 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [0,1,1,0,0,0|2,0,0]=4 377 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O PI-11241 [0,1,1,0,0,0|2,0,0]=4 378 B11R1.36 CC(C(=O)O)c1ccccc1 PI-11879 [0,1,1,0,0,0|2,0,0]=4 379 B11R1.36 CC(C1=CC=CC=C1)C(=O)O PI-10358 [0,1,1,0,0,0|2,0,0]=4 380 B11R1.36 C[C@@H](c1ccccc1)C(=O)O PI-10357 [0,1,1,0,0,0|2,0,0]=4 381 B11R1.36 FC(C(=O)O)c1ccccc1 PI-30175 [0,1,1,0,0,0|2,0,0]=4 382 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [0,1,1,0,0,0|1,0,1]=4 383 B11R1.36 O=C(C(=O)O)c1ccccc1 PI-30769 [0,1,1,0,0,0|2,0,0]=4 384 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [0,1,1,0,0,0|2,0,0]=4 385 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [0,1,1,0,0,0|2,0,0]=4 386 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [0,1,1,0,0,0|1,0,1]=4 387 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [0,1,1,0,0,0|1,0,1]=4 388 B11R1.40 CNC(=S)Nc1ccccc1 PI-24288 [0,1,1,0,0,0|0,1,1]=4 389 B11R1.40 CNC(=S)Nc1ccccc1 PI-30591 [0,1,1,0,0,0|0,1,1]=4 390 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [0,1,1,0,0,0|0,0,2]=4 391 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O PI-22281 [0,1,1,0,0,0|2,0,0]=4 392 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O PI-16021 [0,1,1,0,0,0|2,0,0]=4 393 B11R1.157 C1=CC(=CC(=C1)Cl)N=C(N)N PI-47259 [0,1,1,0,0,0|2,0,0]=4 394 B11R1.157 C1=CC(=CC(=C1)I)CC(=O)O PI-30249 [0,1,1,0,0,0|2,0,0]=4 395 B11R1.157 CC(=O)Cc1cccc(c1)Br PI-38558 [0,1,1,0,0,0|1,0,1]=4 396 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br PI-50520 [0,1,1,0,0,0|0,0,2]=4 397 B11R1.157 CC(=O)NC1=CC(=CC=C1)F PI-23433 [0,1,1,0,0,0|0,0,2]=4 398 B11R1.157 CC(=O)NC1=CC=CC(=C1)N PI-17432 [0,1,1,0,0,0|0,0,2]=4 399 B11R1.157 CC(=O)OC1=CC(=CC=C1)F PI-26855 [0,1,1,0,0,0|1,0,0]=3 400 B11R1.157 CC(C)OC1=CC(=CC=C1)Br PI-31927 [0,1,1,0,0,0|1,0,1]=4 401 B11R1.157 CC(C)OC1=CC=CC(=C1)N PI-33132 [0,1,1,0,0,0|1,0,1]=4 402 B11R1.157 OC(=O)Cc1cccc(c1)F PI-16930 [0,1,1,0,0,0|2,0,0]=4 403 B11R1.157 OC(=O)Cc1cccc(c1)N PI-31063 [0,1,1,0,0,0|2,0,0]=4 404 B11R1.157 OC(=O)Cc1cccc(c1)O PI-11931 [0,1,1,0,0,0|2,0,0]=4 405 B11R1.509 CS(=O)(=O)OC1=CC=CC=C1 PI-12785 [0,1,1,0,0,0|2,0,0]=4 406 B11R1.509 C[Si](C)(C)OC1=CC=CC=C1 PI-46060 [0,1,1,0,0,0|1,1,0]=4 407 B11R2.1 C1=CC2=C(NN=C2C=C1)Br PI-34805 [1,1,0,0,0,0|2,0,0]=4 408 B11R2.1 C1=CC2=NO[N+](=C2C=C1)[O-] PI-32324 [1,1,0,0,0,0|2,0,0]=4 409 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [1,1,0,0,0,0|1,0,1]=4 410 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br PI-17445 [1,1,0,0,0,0|1,0,0]=3 411 B11R2.1 C1=CC=C2C(=C1)C(=CS2)Br PI-14249 [1,1,0,0,0,0|1,1,0]=4 412 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [1,1,0,0,0,0|1,1,0]=4 413 B11R2.1 C1=CC=C2C(=C1)C(=NO2)N PI-14154 [1,1,0,0,0,0|2,0,0]=4 414 B11R2.1 C1=CC=C2C(=C1)C=CS2=O PI-14312 [1,1,0,0,0,0|1,1,0]=4 415 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [1,1,0,0,0,0|1,0,1]=4 416 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [1,1,0,0,0,0|1,0,1]=4 417 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [1,1,0,0,0,0|1,1,0]=4 418 B11R2.1 CN1C2=CC=CC=C2N=N1 PI-17166 [1,1,0,0,0,0|2,0,0]=4 419 B11R2.1 CN1C=NC2=CC=CC=C21 PI-11703 [1,1,0,0,0,0|1,0,0]=3 420 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [1,1,0,0,0,0|1,0,1]=4 421 B11R2.1 ClC1=NOC2=C1C=CC=C2 PI-15670 [1,1,0,0,0,0|2,0,0]=4 422 B11R2.1 Cn1ccc2ccccc12 PI-11080 [1,1,0,0,0,0|1,0,1]=4 423 B11R2.1 On1nnc2ccccc12 PI-15275 [1,1,0,0,0,0|2,0,0]=4 424 B11R2.1 On1nnc2ccccc12 PI-15359 [1,1,0,0,0,0|2,0,0]=4 425 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 PI-41012 [1,1,0,0,0,0|0,1,0]=3 426 B11R2.36 BrC1=CC2=C(C=CS2)C=C1 PI-39747 [1,1,0,0,0,0|1,1,0]=4 427 B11R2.36 BrC1=CC=C2N=CSC2=C1 PI-41013 [1,1,0,0,0,0|0,1,0]=3 428 B11R2.36 Brc1cc2[nH]cnc2nc1 PI-38346 [1,1,0,0,0,0|2,0,0]=4 429 B11R2.36 Brc1ccc2[nH]ccc2c1 PI-20323 [1,1,0,0,0,0|1,0,1]=4 430 B11R2.36 Brc1ccc2c(c1)[nH]cc2 PI-10006 [1,1,0,0,0,0|1,0,1]=4 431 B11R2.36 Brc1ccc2c(c1)ccs2 PI-29626 [1,1,0,0,0,0|1,1,0]=4 432 B11R2.36 Brc1ccc2n(c1)ccn2 PI-32331 [1,1,0,0,0,0|2,0,0]=4 433 B11R2.36 Brc1ccn2c(c1)ccn2 PI-39434 [1,1,0,0,0,0|2,0,0]=4 434 B11R2.36 Brc1ccn2ccnc2c1 PI-36050 [1,1,0,0,0,0|2,0,0]=4 435 B11R2.36 C1=C2C(=CC=C1C)[NH]C=C2 PI-10262 [1,1,0,0,0,0|1,0,1]=4 436 B11R2.36 C1=CC(=CC2=C1C=CN2)F PI-10018 [1,1,0,0,0,0|1,0,1]=4 437 B11R2.36 C1=CC(=CC2=C1C=CN2)N PI-16826 [1,1,0,0,0,0|1,0,1]=4 438 B11R2.36 C1=CC(=CC2=C1N=CS2)N PI-41014 [1,1,0,0,0,0|0,1,0]=3 439 B11R2.36 C1=CC2=C(C=C1Br)NC=N2 PI-44962 [1,1,0,0,0,0|1,0,0]=3 440 B11R2.36 C1=CC2=C(C=C1Cl)N=CO2 PI-12027 [1,1,0,0,0,0|0,0,0]=2 441 B11R2.36 C1=CC2=C(C=C1Cl)N=CS2 PI-45363 [1,1,0,0,0,0|0,1,0]=3 442 B11R2.36 C1=CC2=C(C=C1F)N=CS2 PI-45368 [1,1,0,0,0,0|0,1,0]=3 443 B11R2.36 C1=CC2=C(C=C1F)NC=N2 PI-45215 [1,1,0,0,0,0|1,0,0]=3 444 B11R2.36 C1=CC2=C(C=C1F)SC=N2 PI-45369 [1,1,0,0,0,0|0,1,0]=3 445 B11R2.36 C1=CC2=C(C=C1N)N=CS2 PI-40961 [1,1,0,0,0,0|0,1,0]=3 446 B11R2.36 C1=CC2=C(C=C1N)NC=N2 PI-34794 [1,1,0,0,0,0|1,0,0]=3 447 B11R2.36 C1=CC2=C(C=C1N)NC=N2 PI-45761 [1,1,0,0,0,0|1,0,0]=3 448 B11R2.36 C1=CC2=C(C=CN2)C=C1F PI-10017 [1,1,0,0,0,0|1,0,1]=4 449 B11R2.36 C1=CC2=C(C=CO2)C=C1Br PI-19337 [1,1,0,0,0,0|1,0,0]=3 450 B11R2.36 C1=CC2=C(C=CS2)C=C1Cl PI-14313 [1,1,0,0,0,0|1,1,0]=4 451 B11R2.36 C1=CC2=C(C=CS2)C=C1N PI-29314 [1,1,0,0,0,0|1,1,0]=4 452 B11R2.36 C1=CC2=NON=C2C=C1O PI-20734 [1,1,0,0,0,0|2,0,0]=4 453 B11R2.36 C1COC2=C1C=C(C=C2)Br PI-21650 [1,1,0,0,0,0|1,0,1]=4 454 B11R2.36 C1OC2=C(O1)C=C(C=C2)Cl PI-30880 [1,1,0,0,0,0|1,0,1]=4 455 B11R2.36 C1OC2=C(O1)C=C(C=C2)N PI-12185 [1,1,0,0,0,0|1,0,1]=4 456 B11R2.36 CC1=CC2=C(C=C1)N=CN2 PI-29770 [1,1,0,0,0,0|1,0,0]=3 457 B11R2.36 CC1=CC2=C(C=C1)N=CS2 PI-45360 [1,1,0,0,0,0|0,1,0]=3 458 B11R2.36 CC1=CC2=C(C=C1)OC=N2 PI-10825 [1,1,0,0,0,0|0,0,0]=2 459 B11R2.36 CC1=CC=C2SC=CC2=C1 PI-14225 [1,1,0,0,0,0|1,1,0]=4 460 B11R2.36 Cc1ccc2c(c1)[nH]cc2 PI-16265 [1,1,0,0,0,0|1,0,1]=4 461 B11R2.36 ClC1=CC2=C(C=C1)C=CN2 PI-20431 [1,1,0,0,0,0|1,0,1]=4 462 B11R2.36 ClC1=CC2=NSN=C2C=C1 PI-11637 [1,1,0,0,0,0|2,0,0]=4 463 B11R2.36 Clc1ccc2c(c1)cc[nH]2 PI-10008 [1,1,0,0,0,0|1,0,1]=4 464 B11R2.36 Fc1ccc2c(c1)nsn2 PI-23462 [1,1,0,0,0,0|2,0,0]=4 465 B11R2.36 Ic1ccc2[nH]ccc2c1 PI-29169 [1,1,0,0,0,0|1,0,1]=4 466 B11R2.36 NC1=CC=C2OC=CC2=C1 PI-40038 [1,1,0,0,0,0|1,0,0]=3 467 B11R2.36 Nc1ccc2c(c1)cc[nH]2 PI-16447 [1,1,0,0,0,0|1,0,1]=4 468 B11R2.36 Oc1ccc2[nH]ccc2c1 PI-10314 [1,1,0,0,0,0|1,0,1]=4 469 B11R2.36 Oc1ccc2c(c1)OCO2 PI-15354 [1,1,0,0,0,0|1,0,1]=4 470 B11R2.36 Oc1ccc2c(c1)ncs2 PI-39219 [1,1,0,0,0,0|0,1,0]=3 471 B11R2.36 Oc1ccc2cc[nH]c2c1 PI-16028 [1,1,0,0,0,0|1,0,1]=4 472 B11R2.36 Oc1ccc2nc[nH]c2c1 PI-36411 [1,1,0,0,0,0|1,0,0]=3 473 B11R2.36 SC1=CC=C2OCOC2=C1 PI-42647 [1,1,0,0,0,0|1,0,1]=4 474 B11R2.106 BrC1=CC=CC2=C1CC=C2 PI-40279 [1,1,0,0,0,0|2,0,0]=4 475 B11R2.106 BrC1=CC=CC2=NSN=C21 PI-39627 [1,1,0,0,0,0|2,0,0]=4 476 B11R2.106 Brc1cccc2[nH]ccc12 PI-10309 [1,1,0,0,0,0|1,0,1]=4 477 B11R2.106 Brc1cccc2c1ccs2 PI-42863 [1,1,0,0,0,0|1,1,0]=4 478 B11R2.106 C1=C2C(=C(C=N1)Br)N=CN2 PI-45167 [1,1,0,0,0,0|2,0,0]=4 479 B11R2.106 C1=CC(=C2C(=C1)SC=N2)F PI-45367 [1,1,0,0,0,0|0,1,0]=3 480 B11R2.106 C1=CC(=C2C(=C1)SC=N2)O PI-34818 [1,1,0,0,0,0|0,1,0]=3 481 B11R2.106 C1=CC(=C2C=CNC2=C1)N PI-16825 [1,1,0,0,0,0|1,0,1]=4 482 B11R2.106 C1=CC2=C(C(=C1)Br)N=CS2 PI-45382 [1,1,0,0,0,0|0,1,0]=3 483 B11R2.106 C1=CC2=C(C(=C1)Br)NC=C2 PI-10577 [1,1,0,0,0,0|1,0,1]=4 484 B11R2.106 C1=CC2=C(C(=C1)Br)SC=C2 PI-45183 [1,1,0,0,0,0|1,1,0]=4 485 B11R2.106 C1=CC2=C(C(=C1)Br)SC=N2 PI-45072 [1,1,0,0,0,0|0,1,0]=3 486 B11R2.106 C1=CC2=C(C(=C1)Cl)N=CS2 PI-45364 [1,1,0,0,0,0|0,1,0]=3 487 B11R2.106 C1=CC2=C(C(=C1)Cl)NC=C2 PI-16827 [1,1,0,0,0,0|1,0,1]=4 488 B11R2.106 C1=CC2=C(C(=C1)Cl)SC=N2 PI-45366 [1,1,0,0,0,0|0,1,0]=3 489 B11R2.106 C1=CC2=C(C(=C1)O)NC=C2 PI-11104 [1,1,0,0,0,0|1,0,1]=4 490 B11R2.106 C1=CC2=C(C=CN2)C(=C1)Cl PI-16268 [1,1,0,0,0,0|1,0,1]=4 491 B11R2.106 C1=CC2=C(C=CN2)C(=C1)F PI-16506 [1,1,0,0,0,0|1,0,1]=4 492 B11R2.106 C1=CC2=C(C=CS2)C(=C1)Cl PI-42667 [1,1,0,0,0,0|1,1,0]=4 493 B11R2.106 C1=CC2=NC=CN2C(=C1)N PI-45291 [1,1,0,0,0,0|2,0,0]=4 494 B11R2.106 C1=CC2=NON=C2C(=C1)N PI-14058 [1,1,0,0,0,0|2,0,0]=4 495 B11R2.106 C1=CC2=NSN=C2C(=C1)N PI-32091 [1,1,0,0,0,0|2,0,0]=4 496 B11R2.106 CC1=C2C(=CC=C1)SC=N2 PI-45359 [1,1,0,0,0,0|0,1,0]=3 497 B11R2.106 CC1=C2C=CNC2=CC=C1 PI-16828 [1,1,0,0,0,0|1,0,1]=4 498 B11R2.106 Cc1cccc2c1[nH]cc2 PI-16266 [1,1,0,0,0,0|1,0,1]=4 499 B11R2.106 Cc1cccc2c1[nH]cn2 PI-38923 [1,1,0,0,0,0|1,0,0]=3 500 B11R2.106 ClC1=NC=CC2=C1C=CO2 PI-37202 [1,1,0,0,0,0|2,0,0]=4 501 B11R2.106 ClC1=NC=CC2=C1N=C[NH]2 PI-41511 [1,1,0,0,0,0|2,0,0]=4 502 B11R2.106 Fc1cccc2c1[nH]cc2 PI-16457 [1,1,0,0,0,0|1,0,1]=4 503 B11R2.106 Fc1cccn2ccnc12 PI-36254 [1,1,0,0,0,0|2,0,0]=4 504 B11R2.106 Ic1cccc2[nH]cnc12 PI-36396 [1,1,0,0,0,0|1,0,0]=3 505 B11R2.106 NC1=NC=CC2=C1N=CN2 PI-39703 [1,1,0,0,0,0|2,0,0]=4 506 B11R2.106 OC1=C2N=NNC2=CC=C1 PI-20735 [1,1,0,0,0,0|2,0,0]=4 507 B11R2.106 OC1=CC=CN2C1=NC=C2 PI-46684 [1,1,0,0,0,0|2,0,0]=4 508 B11R2.106 Oc1cccc2[nH]ccc12 PI-16269 [1,1,0,0,0,0|1,0,1]=4 509 B11R2.988 OCC1C2=CC=CC=C2C1 PI-40936 [0,1,0,0,1,0|1,0,1]=4 510 B13R2.32 C1=CC=C2C(=C1)C(=C(C=N2)O)Cl PI-44804 [0,1,0,0,0,1|2,0,0]=4 511 B13R2.32 C1=CC=C2C(=C1)C=NC(=C2O)Cl PI-44810 [0,1,0,0,0,1|2,0,0]=4 512 B13R2.32 C1=CC=C2C(=C1)C=NC(=C2O)Cl PI-44835 [0,1,0,0,0,1|2,0,0]=4 513 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)Br PI-11689 [0,1,0,0,0,1|2,0,0]=4 514 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)O PI-18875 [0,1,0,0,0,1|2,0,0]=4 515 B13R2.32 CC1=[N+](C2=CC=CC=C2C=C1)[O-] PI-42564 [0,1,0,0,0,1|1,0,1]=4 516 B13R2.32 Cc1ccc2ccccc2c1C PI-25689 [0,1,0,0,0,1|2,0,0]=4 517 B13R2.32 Cc1ccc2ccccc2c1N PI-18358 [0,1,0,0,0,1|2,0,0]=4 518 B13R2.57 BrCc1ccc2ccccc2c1 PI-11811 [0,1,0,0,0,1|2,0,0]=4 519 B13R2.57 BrCc1ccc2ccccc2n1 PI-36507 [0,1,0,0,0,1|1,0,0]=3 520 B13R2.57 C1=CC=C2C(=C1)C=C(C=N2)C=O PI-29125 [0,1,0,0,0,1|1,0,1]=4 521 B13R2.57 C1=CC=C2C(=C1)C=CC(=N2)CO PI-29257 [0,1,0,0,0,1|1,0,0]=3 522 B13R2.57 C1C(OC2=CC=CC=C2O1)CN PI-35451 [0,1,0,0,0,1|1,0,1]=4 523 B13R2.57 C1C(OC2=CC=CC=C2O1)CO PI-29518 [0,1,0,0,0,1|1,0,1]=4 524 B13R2.57 CCC1=CC2=CC=CC=C2C=C1 PI-25977 [0,1,0,0,0,1|2,0,0]=4 525 B13R2.57 CCC1=CC2=CC=CC=C2N=C1 PI-33334 [0,1,0,0,0,1|1,0,0]=3 526 B13R2.57 CSC1=CC2=CC=CC=C2C=C1 PI-18873 [0,1,0,0,0,1|2,0,0]=4 527 B13R2.57 ClCc1ccc2c(c1)cccc2 PI-18399 [0,1,0,0,0,1|2,0,0]=4 528 B13R2.57 N#Cc1cnc2c(c1)cccc2 PI-11109 [0,1,0,0,0,1|1,0,1]=4 529 B13R2.57 N#Cc1ncc2c(c1)cccc2 PI-17473 [0,1,0,0,0,1|1,0,1]=4 530 B13R2.57 NCC1COc2c(O1)cccc2 PI-14107 [0,1,0,0,0,1|1,0,1]=4 531 B13R2.57 NNc1ccc2ccccc2n1 PI-20725 [0,1,0,0,0,1|2,0,0]=4 532 B13R2.57 O=Cc1ccc2c(n1)cccc2 PI-11880 [0,1,0,0,0,1|1,0,1]=4 533 B13R2.57 OCc1ccc2ccccc2c1 PI-11869 [0,1,0,0,0,1|2,0,0]=4 534 B13R2.155 Brc1cc2NC(=O)COc2cc1 PI-38345 [0,1,0,0,0,1|1,0,1]=4 535 B13R2.155 C1=CC(=CC2=C1C=CC(=N2)Cl)Br PI-48167 [0,1,0,0,0,1|2,0,0]=4 536 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O PI-10445 [0,1,0,0,0,1|2,0,0]=4 537 B13R2.155 C1=CC2=NC=C(C=C2C=C1Br)O PI-45733 [0,1,0,0,0,1|2,0,0]=4 538 B13R2.155 C1C(=O)NC2=C(O1)C=CC(=C2)Cl PI-23153 [0,1,0,0,0,1|1,0,1]=4 539 B13R2.155 CC1=CC2=C(C=C1)C=CC(=N2)C PI-29979 [0,1,0,0,0,1|1,0,0]=3 540 B13R2.155 CC1=NC2=CC(F)=CC=C2C=C1 PI-28060 [0,1,0,0,0,1|1,0,0]=3 541 B13R2.155 Cc1ccc2c(c1)cc(cc2)C PI-23889 [0,1,0,0,0,1|2,0,0]=4 542 B13R2.155 Oc1ccc2ccc(O)nc2c1 PI-13540 [0,1,0,0,0,1|2,0,0]=4 543 B13R2.162 C1=C2C(=NC(=C1)C)C(=CC=C2)O PI-33671 [0,1,0,0,0,1|1,0,0]=3 544 B13R2.162 C1=CC2=C(C(=C1)O)N=C(C=C2)N PI-24571 [0,1,0,0,0,1|2,0,0]=4 545 B13R2.162 C1=CC2=CC=CC(=C2N=C1C)N PI-29287 [0,1,0,0,0,1|1,0,0]=3 546 B13R2.162 CC1=C2C(=CC=C1)C=CC(=N2)C PI-11772 [0,1,0,0,0,1|1,0,0]=3 547 B13R2.162 CC1=CC2=C(C=CC=C2C=C1)C PI-18703 [0,1,0,0,0,1|2,0,0]=4 548 B13R2.162 CC1=NC2=C(C=CC=C2Cl)C=C1 PI-16458 [0,1,0,0,0,1|1,0,0]=3 549 B13R2.162 Cc1ccc2cccc(Br)c2n1 PI-36505 [0,1,0,0,0,1|1,0,0]=3 550 B13R2.328 C1=CC=C2C(=C1)C(=CC(=N2)Cl)Cl PI-29861 [0,1,0,0,0,1|2,0,0]=4 551 B13R2.328 CC1=CC(=NC2=CC=CC=C12)C PI-11755 [0,1,0,0,0,1|1,0,0]=3 552 B13R2.328 CC1=CC(=NC2=CC=CC=C12)Cl PI-10849 [0,1,0,0,0,1|2,0,0]=4 553 B13R2.328 CC1=CC2=CC=CC=C2[N+](=C1)[O-] PI-29281 [0,1,0,0,0,1|1,0,1]=4 554 B13R2.328 CC1=NC2=CC=CC=C2C(=O)O1 PI-26707 [0,1,0,0,0,1|0,0,0]=2 555 B13R2.328 Cc1cc(N)c2ccccc2n1 PI-17561 [0,1,0,0,0,1|1,0,0]=3 556 B13R2.328 Cc1cc(O)c2c(n1)cccc2 PI-29750 [0,1,0,0,0,1|1,0,0]=3 557 B13R2.328 Cc1cc2ccccc2c(c1)C PI-25697 [0,1,0,0,0,1|2,0,0]=4 558 B13R2.328 Clc1cc2ccccc2c(n1)Cl PI-31690 [0,1,0,0,0,1|2,0,0]=4 559 B13R2.328 Nc1cc2ccccc2c(Br)n1 PI-29111 [0,1,0,0,0,1|2,0,0]=4 560 B13R2.328 O=C1OC(=O)c2c(C1)cccc2 PI-16185 [0,1,0,0,0,1|2,0,0]=4 561 B13R2.328 O=c1cc(O)c2ccccc2o1 PI-31737 [0,1,0,0,0,1|2,0,0]=4 562 B13R2.328 Oc1cc(C)c2c(n1)cccc2 PI-10848 [0,1,0,0,0,1|2,0,0]=4 563 B13R2.328 Oc1cc(O)c2c(n1)cccc2 PI-16408 [0,1,0,0,0,1|2,0,0]=4 564 B13R2.369 C1=CC=C2C(=C1)C=C(C(=N2)Br)Br PI-50065 [0,1,0,0,0,1|2,0,0]=4 565 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl PI-29715 [0,1,0,0,0,1|1,0,0]=3 566 B13R2.369 Cc1cc2ccccc2cc1C PI-25704 [0,1,0,0,0,1|2,0,0]=4 567 B13R2.369 NC1=C(C)N=C2C=CC=CC2=C1 PI-46688 [0,1,0,0,0,1|1,0,0]=3 568 B13R2.369 O=c1oc2ccccc2cc1N PI-17434 [0,1,0,0,0,1|2,0,0]=4 569 B13R2.3683 Brc1ccc2c(c1)cnc(n2)Cl PI-34844 [0,1,0,0,0,1|2,0,0]=4 570 B13R2.3683 Brc1ccc2c(c1)cnc(n2)N PI-34644 [0,1,0,0,0,1|2,0,0]=4 571 B13R2.3683 C1=CC2=C(C=CC(=N2)Cl)C=C1Br PI-25270 [0,1,0,0,0,1|2,0,0]=4 572 B13R2.3683 CC1=CC2=C(C=C1)N=C(C=C2)Br PI-35456 [0,1,0,0,0,1|2,0,0]=4 573 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)Cl PI-29974 [0,1,0,0,0,1|1,0,0]=3 574 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N PI-30830 [0,1,0,0,0,1|1,0,0]=3 575 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)O PI-29761 [0,1,0,0,0,1|1,0,0]=3 576 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 PI-36976 [0,1,0,0,0,1|2,0,0]=4 577 B13R2.3683 Cc1ccc2cc(Br)ccc2n1 PI-14483 [0,1,0,0,0,1|1,0,0]=3 578 B13R2.3683 Cc1ccc2nc(C)ccc2c1 PI-11770 [0,1,0,0,0,1|1,0,0]=3 579 B13R2.3683 Clc1ccc2c(c1)ncc(n2)Cl PI-11765 [0,1,0,0,0,1|2,0,0]=4 580 B13R2.3683 Fc1ccc2nc(C)ccc2c1 PI-28059 [0,1,0,0,0,1|1,0,0]=3 581 B13R2.3683 O=C1COc2c(N1)ccc(c2)F PI-39020 [0,1,0,0,0,1|1,0,1]=4 582 B13R2.3683 Oc1ccc2c(c1)ccc(=O)o2 PI-10446 [0,1,0,0,0,1|2,0,0]=4 583 B13R2.3683 Oc1ccc2c(c1)ccc(n2)Cl PI-39000 [0,1,0,0,0,1|2,0,0]=4 584 B13R2.3683 Oc1ccc2c(c1)ccc(n2)O PI-38999 [0,1,0,0,0,1|2,0,0]=4 585 B13R2.5179 C1=CC2=CC(=CN=C2C(=C1)F)I PI-48867 [0,1,0,0,0,1|2,0,0]=4 586 B13R2.5179 C1=CC2=CC(=CN=C2C(=C1)N)Br PI-48534 [0,1,0,0,0,1|2,0,0]=4 587 B13R2.5179 CC1=CC2=CC=CC(=C2C=C1)C PI-25698 [0,1,0,0,0,1|2,0,0]=4 588 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 PI-37296 [0,1,0,0,0,1|1,0,0]=3 589 B13R2.5179 CC1=NC2=C(C=C1)C(=CC=C2)Cl PI-33672 [0,1,0,0,0,1|1,0,0]=3 590 B13R2.135 CC1=C(C2=CC=CC=C2N1)C=O PI-10994 [0,2,0,0,0,0|1,0,1]=4 591 B13R2.135 CC1=NC2=CC=CC=C2N1CF PI-46460 [0,2,0,0,0,0|1,0,0]=3 592 B13R2.135 CCN1C(=NC2=CC=CC=C21)C PI-32333 [0,2,0,0,0,0|1,0,0]=3 593 B13R2.359 CC1=Nc2c(C1(C)C)cccc2 PI-11087 [0,2,0,0,0,0|1,0,0]=3 594 B13R2.5190 CC1=C2C=CC(=CC2=NN1C)N PI-44771 [0,2,0,0,0,0|2,0,0]=4 595 B13R2.5190 NC1=CC2=NN(C)C(C)=C2C=C1 PI-37247 [0,2,0,0,0,0|2,0,0]=4 596 B13R2.26 C1=CC=C2C(=C1)N=C(S2)CC#N PI-30719 [0,2,0,0,0,0|0,1,0]=3 597 B13R2.26 C1=CC=C2C(=C1)NC(=N2)CC#N PI-11171 [0,2,0,0,0,0|1,0,0]=3 598 B13R2.26 C1=CC=C2C(=C1)NC(=N2)CCBr PI-34791 [0,2,0,0,0,0|1,0,0]=3 599 B13R2.26 C1=CC=C2C(=C1)NC(=N2)CCN PI-45221 [0,2,0,0,0,0|1,0,0]=3 600 B13R2.26 CCCC1=NC2=CC=CC=C2N1 PI-45292 [0,2,0,0,0,0|1,0,0]=3 601 B13R2.26 ClCCC1=NC2=CC=CC=C2N1 PI-34792 [0,2,0,0,0,0|1,0,0]=3 602 B13R2.26 OCCc1nc2c([nH]1)cccc2 PI-11708 [0,2,0,0,0,0|1,0,0]=3 603 B13R2.43 C1=CC2=C(C=C1F)N=C(S2)CCl PI-48112 [0,2,0,0,0,0|0,1,0]=3 604 B13R2.43 CC1=CC2=C(C=C1)SC(=C2)CO PI-29366 [0,2,0,0,0,0|1,1,0]=4 605 B13R2.43 CSC1=NC2=C(S1)C=C(C=C2)Br PI-45377 [0,2,0,0,0,0|0,1,0]=3 606 B13R2.43 CSC1=NC2=C(S1)C=CC(=C2)Cl PI-45376 [0,2,0,0,0,0|0,1,0]=3 607 B13R2.43 N#Cc1nc2ccc(O)cc2s1 PI-36547 [0,2,0,0,0,0|0,1,1]=4 608 B13R2.435 B(C1=CC2=CC=CC=C2O1)(O)O PI-14157 [0,2,0,0,0,0|2,0,0]=4 609 B13R2.435 C1=C2C(=CC=C1)[NH]C(=N2)C(=O)O PI-35441 [0,2,0,0,0,0|1,0,1]=4 610 B13R2.435 C1=CC=C2C(=C1)C=C(O2)C(=O)Cl PI-14800 [0,2,0,0,0,0|1,0,1]=4 611 B13R2.435 C1=CC=C2C(=C1)C=C(O2)C(=O)O PI-30651 [0,2,0,0,0,0|1,0,1]=4 612 B13R2.435 C1=CC=C2C(=C1)N=C(O2)C(=O)[O-] PI-48150 [0,2,0,0,0,0|0,0,1]=3 613 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 PI-18361 [0,2,0,0,0,0|1,1,0]=4 614 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 PI-11776 [0,2,0,0,0,0|1,0,0]=3 615 B13R2.435 CC(=O)c1cc2c(o1)cccc2 PI-29182 [0,2,0,0,0,0|1,0,0]=3 616 B13R2.435 CC(C)C1=NC2=CC=CC=C2N1 PI-19739 [0,2,0,0,0,0|1,0,0]=3 617 B13R2.435 O=C(C=1NC2=C(C1)C=CC=C2)C PI-46721 [0,2,0,0,0,0|1,0,1]=4 618 B13R2.581 COc1cccc2c1nc(s2)N PI-30702 [0,2,0,0,0,0|1,1,0]=4 619 B13R2.3050 CC1=C(C=CC2=C1N=C(S2)N)Br PI-45396 [0,2,0,0,0,0|1,1,0]=4 620 B13R2.3050 CC1=CC2=C(N1)C=CC(=C2F)N PI-35000 [0,2,0,0,0,0|1,0,1]=4 621 B13R2.3050 Oc1ccc2[nH]c(C)cc2c1F PI-35965 [0,2,0,0,0,0|1,0,1]=4 622 B13R2.5139 CC1=C2C(=C(C=C1)C)SC(=N2)N PI-45313 [0,2,0,0,0,0|1,1,0]=4 623 B13R2.5397 C1=C(C=C(C2=C1SC(=N2)N)Br)Br PI-45309 [0,2,0,0,0,0|1,1,0]=4 624 B13R2.5397 C1=C(C=C2C(=C1Br)N=C(S2)N)Cl PI-45381 [0,2,0,0,0,0|1,1,0]=4 625 B13R2.5397 C1=C(C=C2C(=C1Cl)N=C(S2)N)Cl PI-45310 [0,2,0,0,0,0|1,1,0]=4 626 B13R2.5397 C1=C(C=C2C(=C1Cl)SC(=N2)N)Cl PI-45311 [0,2,0,0,0,0|1,1,0]=4 627 B13R2.5397 C1=C(C=C2C(=C1F)N=C(S2)N)F PI-45048 [0,2,0,0,0,0|1,1,0]=4 628 B13R2.5397 C1=C(C=C2C(=C1F)SC(=N2)N)F PI-45312 [0,2,0,0,0,0|1,1,0]=4 629 B13R2.5397 CC1=CC(=CC2=C1N=C(S2)N)Br PI-45379 [0,2,0,0,0,0|1,1,0]=4 630 B13R2.5397 CC1=CC2=C(C(=C1)Br)N=C(S2)N PI-45380 [0,2,0,0,0,0|1,1,0]=4 631 B13R2.2121 C1=CC2=C(C=C1C#N)SC(=N2)N PI-31555 [0,2,0,0,0,0|1,1,0]=4 632 B13R2.2121 CC1=CC2=C(N1)C=CC(=C2)OC PI-29051 [0,2,0,0,0,0|1,0,1]=4 633 B13R2.2121 COC1=CC2=C(C=C1)N=C(N2)Cl PI-19172 [0,2,0,0,0,0|2,0,0]=4 634 B13R2.2121 COC1=CC2=C(C=C1)N=C(S2)Cl PI-19374 [0,2,0,0,0,0|1,1,0]=4 635 B13R2.2121 COC1=CC2=C(C=C1)SC(=N2)N PI-45300 [0,2,0,0,0,0|1,1,0]=4 636 B13R2.2121 COc1ccc2c(c1)sc(n2)N PI-14104 [0,2,0,0,0,0|1,1,0]=4 637 B13R2.13083 C1=C2C(=CC(=C1Cl)Cl)SC(=N2)N PI-13552 [0,2,0,0,0,0|1,1,0]=4 638 B13R2.13083 CC1=CC2=C(C=C1C)OC(=N2)C PI-28246 [0,2,0,0,0,0|0,0,0]=2 639 B13R2.13083 CC1=CC2=C(C=C1C)SC(=N2)N PI-30442 [0,2,0,0,0,0|1,1,0]=4 640 B13R2.13083 CC1=CC2=C(C=C1Cl)N=C(S2)N PI-45306 [0,2,0,0,0,0|1,1,0]=4 641 B13R2.13083 CC1=NC2=C(O1)C=C(C(=C2)Cl)N PI-32425 [0,2,0,0,0,0|0,0,0]=2 642 B13R2.13083 CC1=NC2=CC(=C(C=C2N1)Cl)Cl PI-45018 [0,2,0,0,0,0|1,0,0]=3 643 B13R2.13083 CC1=NC2=CC(=C(C=C2S1)N)Cl PI-45374 [0,2,0,0,0,0|0,1,0]=3 644 B11R2.20 C12=CC=CN=C1C=CC=C2 PI-47013 [0,0,1,1,0,0|1,0,1]=4 645 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 PI-29663 [0,0,1,1,0,0|1,0,1]=4 646 B11R2.20 C1=Cc2c(CC1)cccc2 PI-25582 [0,0,1,1,0,0|2,0,0]=4 647 B11R2.20 C1COc2ccccc2O1 PI-31359 [0,0,1,1,0,0|1,0,1]=4 648 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [0,0,1,0,1,0|1,0,1]=4 649 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [0,0,1,0,1,0|2,0,0]=4 650 B9R1.6 C1=CN=CC=C1C(=N)N PI-17542 [0,0,1,0,1,0|2,0,0]=4 651 B9R1.6 C1=CN=CC=C1C(=N)N PI-36524 [0,0,1,0,1,0|2,0,0]=4 652 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [0,0,1,0,1,0|1,0,1]=4 653 B9R1.6 CC(=O)c1cccnc1 PI-32250 [0,0,1,0,1,0|1,0,1]=4 654 B9R1.6 CC(=O)c1ccncc1 PI-38297 [0,0,1,0,1,0|1,0,1]=4 655 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [0,0,1,0,1,0|0,0,2]=4 656 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [0,0,1,0,1,0|1,0,1]=4 657 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [0,0,1,0,1,0|0,0,1]=3 658 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [0,0,1,0,1,0|1,0,1]=4 659 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [0,0,1,0,1,0|1,0,1]=4 660 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [0,0,1,0,1,0|0,0,2]=4 661 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [0,0,1,0,1,0|1,0,1]=4 662 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [0,0,1,0,1,0|1,0,1]=4 663 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [0,0,1,0,1,0|0,0,2]=4 664 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [0,0,1,0,1,0|0,0,1]=3 665 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [0,0,1,0,1,0|1,1,0]=4 666 B9R1.6 N=C(C1=CC=CN=C1)N PI-36525 [0,0,1,0,1,0|2,0,0]=4 667 B9R1.6 N=C(N)C1=CN=CC=C1 PI-30891 [0,0,1,0,1,0|2,0,0]=4 668 B9R1.6 NC(=N)c1ccccc1 PI-30200 [0,0,1,0,1,0|1,0,0]=3 669 B9R1.6 NC(=N)c1ccccn1 PI-30669 [0,0,1,0,1,0|2,0,0]=4 670 B9R1.6 NC(=S)c1ccccc1 PI-29356 [0,0,1,0,1,0|1,0,1]=4 671 B9R1.6 OB(O)c1ccccc1 PI-16480 [0,0,1,0,1,0|2,0,0]=4 672 B9R1.6 OC(=O)c1cccnc1 PI-15824 [0,0,1,0,1,0|2,0,0]=4 673 B9R2.50 C1CC2=CC=CC=C21 PI-40928 [1,0,0,0,1,0|1,0,1]=4 674 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [0,0,1,0,0,1|1,0,1]=4 675 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [0,0,1,0,0,1|2,0,0]=4 676 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] PI-50538 [0,0,1,0,0,1|2,0,0]=4 677 B11R1.91 CC(=NNC1=CC=CC=C1)C PI-44567 [0,0,1,0,0,1|1,0,0]=3 678 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [0,0,1,0,0,1|0,0,2]=4 679 B11R1.91 CC(C)N=CC1=CC=CC=C1 PI-19838 [0,0,1,0,0,1|1,0,1]=4 680 B11R1.91 CN(C)N=CC1=CC=CC=C1 PI-26056 [0,0,1,0,0,1|2,0,0]=4 681 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [0,0,1,0,0,1|1,0,1]=4 682 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [0,0,1,0,0,1|1,0,1]=4 683 B11R1.91 OC(=O)C#Cc1ccccc1 PI-28707 [0,0,1,0,0,1|2,0,0]=4