0 B13R2.4825 C1=CC=C(Br)C2=C1C(=O)C(=O)N2 PI-35969 [0,0,0,0,0,0|1,1,1]=3 1 B13R2.4825 C1=CC=C(C2=C1C(C(=O)N2)=O)Cl PI-10411 [0,0,0,0,0,0|1,1,1]=3 2 B13R2.4825 O=C1Nc2c(F)cccc2C1=O PI-28370 [0,0,0,0,0,0|1,0,1]=2 3 B13R2.4825 O=C1Nc2c(I)cccc2C1=O PI-35973 [0,0,0,0,0,0|1,1,1]=3 4 B12R2.18 CC1C2=C(NC1=O)N=CC=C2 PI-41265 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.18 CN1C2=CC=CC=C2N=C1N PI-30188 [1,0,0,0,0,0|2,0,1]=4 6 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.18 Cn1c(C)cc2c1cccc2 PI-11083 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [1,0,0,0,0,0|1,0,1]=3 9 B12R2.18 O=C1OC2=CC=CC=C2C1C PI-37207 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.196 CN1C2=C(C=N1)C(=CC=C2)F PI-34937 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.202 C1=CC(=C2C(=C1)SC(=N2)Cl)F PI-45320 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.202 C1=CC(=C2C(=C1)SC(=N2)N)F PI-45305 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.202 C1=CC(=C2C(=C1)SC(=O)N2)F PI-45347 [1,0,0,0,0,0|1,0,0]=2 14 B12R2.202 C1=CC(=C2C(=C1)SC(=S)N2)F PI-45334 [1,0,0,0,0,0|1,1,0]=3 15 B12R2.202 C1=CC2=C(C(=C1)Cl)NC(=S)S2 PI-45330 [1,0,0,0,0,0|1,2,0]=4 16 B12R2.202 C1=CC2=C(C(=C1)Cl)SC(=O)N2 PI-45344 [1,0,0,0,0,0|1,1,0]=3 17 B12R2.202 C1=CC2=C(C(=C1)Cl)SC(=S)N2 PI-45332 [1,0,0,0,0,0|1,2,0]=4 18 B12R2.202 C1C(=O)CC2=C1C=CC=C2Br PI-32756 [1,0,0,0,0,0|2,1,0]=4 19 B12R2.202 C1C(=O)CC2=C1C=CC=C2Cl PI-32755 [1,0,0,0,0,0|2,1,0]=4 20 B12R2.202 C1C2=C(C(=CC=C2)Cl)NC1=O PI-33957 [1,0,0,0,0,0|1,1,0]=3 21 B12R2.202 CC1=C2C(=CC=C1)SC(=O)N2 PI-45350 [1,0,0,0,0,0|2,0,0]=3 22 B12R2.202 CC1=C2C(=CC=C1)SC(=S)N2 PI-45337 [1,0,0,0,0,0|2,1,0]=4 23 B12R2.202 CC1=CC2=C(N1)C=CC=C2O PI-18492 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.202 FC1=C2C(NC(Cl)=N2)=CC=C1 PI-46690 [1,0,0,0,0,0|1,0,1]=3 25 B12R2.202 O=C1NC2=C(C=CC=C2F)C1 PI-40280 [1,0,0,0,0,0|1,0,0]=2 26 B14R2.8620 C1=CC(=C2C(=C1Cl)C(=O)C(=O)N2)Cl PI-28235 [0,1,0,0,0,0|1,1,1]=4 27 B14R2.8620 C1=CC(=C2C(=C1F)C(=O)C(=O)N2)Br PI-42961 [0,1,0,0,0,0|1,1,1]=4 28 B14R2.8620 CC1=C2C(=C(C=C1)Br)C(=O)C(=O)N2 PI-11532 [0,1,0,0,0,0|2,0,1]=4 29 B14R2.8620 CC1=C2C(=C(C=C1)Cl)C(=O)C(=O)N2 PI-34469 [0,1,0,0,0,0|2,0,1]=4 30 B14R2.8620 CC1=C2C(=C(C=C1)F)C(=O)C(=O)N2 PI-34493 [0,1,0,0,0,0|2,0,1]=4 31 B14R2.8620 CC1=C2C(=C(C=C1)F)NC(=O)C2=O PI-34497 [0,1,0,0,0,0|1,0,1]=3 32 B14R2.8737 CC1=C(C2=C(C=C1)C(=O)C(=O)N2)F PI-34499 [0,1,0,0,0,0|1,0,1]=3 33 B14R2.8737 CC1=C(C2=C(C=C1)C(=O)C(=O)N2)F PI-35157 [0,1,0,0,0,0|1,0,1]=3 34 B14R2.8737 CC1=C(C=CC2=C1NC(=O)C2=O)F PI-34470 [0,1,0,0,0,0|2,0,1]=4 35 B14R2.9184 CC1=CC(=CC2=C1NC(=O)C2=O)Cl PI-11533 [0,1,0,0,0,0|2,0,1]=4 36 B14R2.9184 CC1=CC2=C(C(=C1)F)NC(=O)C2=O PI-34498 [0,1,0,0,0,0|1,0,1]=3 37 B14R2.9184 ClC1=CC(Cl)=C2NC(=O)C(=O)C2=C1 PI-28708 [0,1,0,0,0,0|1,1,1]=4 38 B14R2.9184 O=C1NC2=C(C=C(Br)C=C2Br)C1=O PI-40285 [0,1,0,0,0,0|1,1,1]=4 39 B14R2.9184 O=C1NC2=C(C=C(F)C=C2C)C1=O PI-34495 [0,1,0,0,0,0|2,0,1]=4 40 B14R2.11645 CCc1cccc2C(=O)C(=O)Nc12 PI-28927 [0,1,0,0,0,0|2,0,1]=4 41 B14R2.11645 COC1=CC=CC2=C1NC(=O)C2=O PI-44590 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.225 OC(=O)C(O)c1cccc(Br)c1 PI-21550 [0,0,1,0,0,0|2,1,0]=4 43 B12R1.225 OC(=O)C(O)c1cccc(C)c1 PI-24801 [0,0,1,0,0,0|3,0,0]=4 44 B12R1.225 O[C@H](C1=CC=CC(Cl)=C1)C(O)=O PI-37323 [0,0,1,0,0,0|2,1,0]=4 45 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)Cl PI-50255 [0,0,1,0,0,0|2,1,0]=4 46 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)F PI-50405 [0,0,1,0,0,0|2,0,0]=3 47 B12R1.371 C1=CC=C(C(=C1)NC(=S)NN)F PI-29541 [0,0,1,0,0,0|1,1,0]=3 48 B12R1.371 CC1=CC=CC=C1NC(=S)NN PI-29766 [0,0,1,0,0,0|2,1,0]=4 49 B12R1.371 COC(=O)CC1=CC=CC=C1F PI-30730 [0,0,1,0,0,0|3,0,0]=4 50 B14R2.8045 C1=CC2=C(C(=C1)Br)NC(=O)OC2=O PI-40283 [0,0,0,0,0,1|1,1,1]=4 51 B14R2.8045 C1=CC2=C(C(=C1)Cl)NC(=O)OC2=O PI-40282 [0,0,0,0,0,1|1,1,1]=4 52 B14R2.8045 C1C(=O)C2=C(C(=CC=C2)F)NC1=O PI-36208 [0,0,0,0,0,1|1,0,1]=3 53 B14R2.8045 CC1=C2C(=CC=C1)C(=O)OC(=O)N2 PI-18804 [0,0,0,0,0,1|2,0,1]=4 54 B14R2.8045 O=c1[nH]c2c(F)cccc2c(=O)[nH]1 PI-36139 [0,0,0,0,0,1|1,0,1]=3 55 B14R2.8045 O=c1[nH]c2c(I)cccc2c(=O)[nH]1 PI-36164 [0,0,0,0,0,1|1,1,1]=4 56 B11R1.159 C1=CC(=C(C(=C1)Br)N)C(=O)O PI-27326 [1,0,1,0,0,0|1,1,0]=4 57 B11R1.159 C1=CC(=C(C(=C1)F)Cl)C(=O)O PI-18055 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)O PI-10290 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.159 C1=CC(=C(C(=C1)F)N)C(=O)O PI-10452 [1,0,1,0,0,0|1,0,0]=3 60 B11R1.159 C1=CC(=C(C(=C1)N)N)C(=O)O PI-39985 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)N PI-10074 [1,0,1,0,0,0|2,0,0]=4 62 B11R1.159 OC(=O)c1cccc(Cl)c1N PI-10209 [1,0,1,0,0,0|1,1,0]=4 63 B11R1.159 OC(=O)c1cccc(F)c1C PI-10192 [1,0,1,0,0,0|2,0,0]=4 64 B11R1.159 OC(=O)c1cccc(I)c1N PI-35980 [1,0,1,0,0,0|1,1,0]=4 65 B11R1.159 OC(=O)c1cccc(O)c1N PI-30706 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.159 OC(=O)c1cccc(c1Br)F PI-10189 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.159 OC(=O)c1cccc(c1O)F PI-23590 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.159 [O-][N+](=O)c1cccc(F)c1N PI-29258 [1,0,1,0,0,0|0,0,2]=4 69 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [1,0,1,0,0,0|2,0,0]=4 70 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [1,0,1,0,0,0|2,0,0]=4 71 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [1,0,1,0,0,0|2,0,0]=4 72 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [1,0,1,0,0,0|2,0,0]=4 73 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br PI-50520 [1,0,1,0,0,0|1,1,0]=4 74 B11R1.157 CC(=O)NC1=CC(=CC=C1)F PI-23433 [1,0,1,0,0,0|1,0,0]=3 75 B11R1.157 CC(=O)NC1=CC=CC(=C1)N PI-17432 [1,0,1,0,0,0|2,0,0]=4 76 B11R1.157 CC(=O)OC1=CC(=CC=C1)F PI-26855 [1,0,1,0,0,0|2,0,0]=4 77 B11R1.157 CC1=CC(=CC=C1)NC(=S)N PI-24525 [1,0,1,0,0,0|1,1,0]=4 78 B11R1.157 NC(=S)Nc1cccc(c1)Br PI-22566 [1,0,1,0,0,0|0,2,0]=4 79 B11R1.157 NC(=S)Nc1cccc(c1)Cl PI-40813 [1,0,1,0,0,0|0,2,0]=4 80 B11R1.157 OC(=O)Cc1cccc(c1)F PI-16930 [1,0,1,0,0,0|2,0,0]=4 81 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [1,0,1,0,0,0|2,0,0]=4 82 B11R1.40 C1=CC=C(C=C1)NC(=S)NN PI-29671 [1,0,1,0,0,0|1,1,0]=4 83 B11R1.40 CNC(=S)Nc1ccccc1 PI-24288 [1,0,1,0,0,0|1,1,0]=4 84 B11R1.40 CNC(=S)Nc1ccccc1 PI-30591 [1,0,1,0,0,0|1,1,0]=4 85 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [1,0,1,0,0,0|2,0,0]=4 86 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br PI-14498 [1,0,1,0,0,0|1,1,0]=4 87 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O PI-10304 [1,0,1,0,0,0|2,0,0]=4 88 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [1,0,1,0,0,0|2,0,0]=4 89 B11R1.86 CC(=O)NC1=CC=CC=C1Br PI-50525 [1,0,1,0,0,0|1,1,0]=4 90 B11R1.86 CC(=O)NC1=CC=CC=C1F PI-34151 [1,0,1,0,0,0|1,0,0]=3 91 B11R1.86 CC(=O)NC1=CC=CC=C1O PI-11773 [1,0,1,0,0,0|2,0,0]=4 92 B11R1.86 CC(=O)Nc1ccccc1N PI-39094 [1,0,1,0,0,0|2,0,0]=4 93 B11R1.86 CC1=CC=CC=C1NC(=S)N PI-24519 [1,0,1,0,0,0|1,1,0]=4 94 B11R1.86 NC(=S)Nc1ccccc1Br PI-22565 [1,0,1,0,0,0|0,2,0]=4 95 B11R1.86 NC(=S)Nc1ccccc1F PI-29832 [1,0,1,0,0,0|0,1,0]=3 96 B11R1.86 OC(=O)Cc1ccccc1C PI-30825 [1,0,1,0,0,0|2,0,0]=4 97 B11R1.86 OC(=O)Cc1ccccc1Cl PI-11828 [1,0,1,0,0,0|1,1,0]=4 98 B11R1.86 OC(=O)Cc1ccccc1F PI-16981 [1,0,1,0,0,0|1,0,0]=3 99 B11R1.86 OC(=O)Cc1ccccc1I PI-12208 [1,0,1,0,0,0|1,1,0]=4 100 B11R1.265 C1=CC(=C(C(=C1)F)C=O)C#N PI-34257 [1,0,1,0,0,0|2,0,0]=4 101 B11R1.265 COc1cccc(F)c1C=O PI-27188 [1,0,1,0,0,0|2,0,0]=4 102 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [2,0,0,0,0,0|2,0,0]=4 103 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [2,0,0,0,0,0|2,0,0]=4 104 B11R2.1 CN1C=NC2=CC=CC=C21 PI-11703 [2,0,0,0,0,0|1,0,1]=4 105 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [2,0,0,0,0,0|2,0,0]=4 106 B11R2.1 Cn1ccc2ccccc12 PI-11080 [2,0,0,0,0,0|2,0,0]=4 107 B11R2.1 On1nnc2ccccc12 PI-15275 [2,0,0,0,0,0|1,0,1]=4 108 B11R2.1 On1nnc2ccccc12 PI-15359 [2,0,0,0,0,0|1,0,1]=4 109 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 PI-13499 [2,0,0,0,0,0|2,0,0]=4 110 B11R2.10 C1=CC=C2C(=C1)NC(=S)N2 PI-13021 [2,0,0,0,0,0|0,1,0]=3 111 B11R2.10 C1=CC=C2C(=C1)NC(=S)O2 PI-32430 [2,0,0,0,0,0|1,1,0]=4 112 B11R2.10 C1=CN=CC2=C1NC(=O)N2 PI-47254 [2,0,0,0,0,0|1,0,0]=3 113 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [2,0,0,0,0,0|2,0,0]=4 114 B11R2.10 CC1=CC2=CC=CC=C2N1 PI-31662 [2,0,0,0,0,0|2,0,0]=4 115 B11R2.10 CC1=NC2=CC=CC=C2N1 PI-11865 [2,0,0,0,0,0|1,0,1]=4 116 B11R2.10 Clc1nc2c([nH]1)cccc2 PI-31005 [2,0,0,0,0,0|1,0,1]=4 117 B11R2.10 Nc1nc2ccccc2[nH]1 PI-31350 [2,0,0,0,0,0|1,0,1]=4 118 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [2,0,0,0,0,0|1,0,0]=3 119 B11R2.10 O=C1Cc2ccccc2O1 PI-18682 [2,0,0,0,0,0|2,0,0]=4 120 B11R2.10 O=c1oc2ccccc2[nH]1 PI-11480 [2,0,0,0,0,0|1,0,0]=3 121 B11R2.10 O=c1sc2ccccc2[nH]1 PI-12052 [2,0,0,0,0,0|1,0,0]=3 122 B11R2.10 Oc1nc2ccccc2[nH]1 PI-16421 [2,0,0,0,0,0|0,0,2]=4 123 B11R2.106 Brc1cccc2[nH]ccc12 PI-10309 [2,0,0,0,0,0|1,1,0]=4 124 B11R2.106 C1=CC(=C2C(=C1)SC=N2)F PI-45367 [2,0,0,0,0,0|1,0,1]=4 125 B11R2.106 C1=CC(=C2C=CNC2=C1)N PI-16825 [2,0,0,0,0,0|2,0,0]=4 126 B11R2.106 C1=CC2=C(C(=C1)Br)NC=C2 PI-10577 [2,0,0,0,0,0|1,1,0]=4 127 B11R2.106 C1=CC2=C(C(=C1)Cl)NC=C2 PI-16827 [2,0,0,0,0,0|1,1,0]=4 128 B11R2.106 C1=CC2=C(C(=C1)O)NC=C2 PI-11104 [2,0,0,0,0,0|2,0,0]=4 129 B11R2.106 C1=CC2=C(C=CN2)C(=C1)Cl PI-16268 [2,0,0,0,0,0|1,1,0]=4 130 B11R2.106 C1=CC2=C(C=CN2)C(=C1)F PI-16506 [2,0,0,0,0,0|1,0,0]=3 131 B11R2.106 C1=CC2=C(C=NN2)C(=C1)F PI-34923 [2,0,0,0,0,0|2,0,0]=4 132 B11R2.106 CC1=C2C=CNC2=CC=C1 PI-16828 [2,0,0,0,0,0|2,0,0]=4 133 B11R2.106 Cc1cccc2c1[nH]cc2 PI-16266 [2,0,0,0,0,0|2,0,0]=4 134 B11R2.106 Cc1cccc2c1[nH]cn2 PI-38923 [2,0,0,0,0,0|1,0,1]=4 135 B11R2.106 Fc1cccc2c1[nH]cc2 PI-16457 [2,0,0,0,0,0|1,0,0]=3 136 B11R2.106 Ic1cccc2[nH]cnc12 PI-36396 [2,0,0,0,0,0|0,1,1]=4 137 B11R2.106 Oc1cccc2[nH]ccc12 PI-16269 [2,0,0,0,0,0|2,0,0]=4 138 B13R1.3768 C1=CC(=C(C(=C1)F)F)C(C(=O)O)O PI-32845 [0,1,1,0,0,0|2,0,0]=4 139 B13R1.510 C1=CC(=C(C=C1C(C(=O)O)O)F)F PI-16855 [0,1,1,0,0,0|2,0,0]=4 140 B13R1.897 C1=CC(=C(C=C1F)C(C(=O)O)O)F PI-16853 [0,1,1,0,0,0|2,0,0]=4 141 B13R1.3423 OC(c1cc(F)cc(c1)F)C(=O)O PI-16856 [0,1,1,0,0,0|2,0,0]=4 142 B13R1.2679 C1=CC(=C(C=C1F)F)NC(=O)CCl PI-15658 [0,1,1,0,0,0|2,0,0]=4 143 B13R2.3028 C1=CC2=C(C=C1Br)C(=O)C(=O)N2 PI-20345 [1,1,0,0,0,0|1,0,1]=4 144 B13R2.3028 C1=CC2=C(C=C1Cl)C(=O)C(=O)N2 PI-11529 [1,1,0,0,0,0|1,0,1]=4 145 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 PI-11530 [1,1,0,0,0,0|1,0,1]=4 146 B13R2.3028 Fc1ccc2c(c1)C(=O)C(=O)N2 PI-22671 [1,1,0,0,0,0|1,0,1]=4 147 B13R2.3028 Ic1ccc2c(c1)C(=O)C(=O)N2 PI-18328 [1,1,0,0,0,0|1,0,1]=4 148 B13R2.3085 O=C1c2ccccc2N(C1=O)C PI-30280 [1,1,0,0,0,0|1,0,1]=4 149 B13R2.4856 C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2 PI-35975 [1,1,0,0,0,0|1,0,1]=4 150 B13R2.4856 FC1=C2C(=CC=C1)NC(C2=O)=O PI-40288 [1,1,0,0,0,0|1,0,1]=4 151 B13R2.4856 O=C1Nc2cccc(I)c2C1=O PI-35976 [1,1,0,0,0,0|1,0,1]=4 152 B13R2.5190 C1=CC2=C(C=C1Br)NC(=O)C2=O PI-44938 [1,1,0,0,0,0|1,0,1]=4 153 B13R2.5190 C1=CC2=C(C=C1F)NC(=O)C2=O PI-40287 [1,1,0,0,0,0|1,0,1]=4 154 B13R2.5190 Clc1ccc2c(c1)NC(=O)C2=O PI-10574 [1,1,0,0,0,0|1,0,1]=4 155 B13R2.5190 Ic1ccc2c(c1)NC(=O)C2=O PI-35977 [1,1,0,0,0,0|1,0,1]=4 156 B13R2.581 C1C2=C(C(=CC=C2)C#N)NC1=O PI-20309 [1,1,0,0,0,0|2,0,0]=4 157 B13R2.581 COC1=C2C(=CC=C1)SC(=O)N2 PI-48158 [1,1,0,0,0,0|2,0,0]=4 158 B13R2.3050 CC1=CC2=C(N1)C=CC(=C2F)N PI-35000 [1,1,0,0,0,0|2,0,0]=4 159 B13R2.3050 Oc1ccc2[nH]c(C)cc2c1F PI-35965 [1,1,0,0,0,0|2,0,0]=4 160 B13R2.5397 C1=C(C=C2C(=C1Cl)NC(=O)S2)Cl PI-45358 [1,1,0,0,0,0|1,1,0]=4 161 B13R2.5397 C1C2=C(C=C(C=C2F)F)NC1=O PI-10014 [1,1,0,0,0,0|1,0,0]=3 162 B15R2.20937 COC1=CC=CC2=C1NC(=O)C=C2O PI-25813 [0,1,0,0,0,1|2,0,0]=4 163 B13R2.328 C1=CC=C2C(=C1)C(=CC(=O)N2)[O-] PI-29605 [1,0,0,0,0,1|1,0,1]=4 164 B13R2.328 O=c1cc(O)c2ccccc2o1 PI-31737 [1,0,0,0,0,1|2,0,0]=4