0 B12R2.612 Brc1ccc2c(c1)CNC2=O PI-39318 [0,0,0,0,0,0|1,1,2]=4 1 B12R2.612 Brc1ccc2c(c1)cnn2C PI-34948 [0,0,0,0,0,0|3,1,0]=4 2 B12R2.612 Brc1ccc2c(c1)onc2Cl PI-39037 [0,0,0,0,0,0|2,1,0]=3 3 B12R2.612 C1=C(Br)C=CC2=C1CCC2=O PI-21521 [0,0,0,0,0,0|2,1,1]=4 4 B12R2.612 C1=CC(=NC2=C1C(=CN2)Br)Cl PI-35902 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)O PI-17763 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.612 C1C2=C(C=CC(=C2)Br)C(=O)O1 PI-11635 [0,0,0,0,0,0|2,1,1]=4 7 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)N1 PI-36570 [0,0,0,0,0,0|2,0,2]=4 8 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)O1 PI-17686 [0,0,0,0,0,0|3,0,1]=4 9 B12R2.612 C1C2=C(C=CC(=N2)Cl)C(=O)N1 PI-48341 [0,0,0,0,0,0|2,0,2]=4 10 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F PI-16849 [0,0,0,0,0,0|2,1,1]=4 11 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)I PI-32739 [0,0,0,0,0,0|2,1,1]=4 12 B12R2.612 CC1=C2C=CC(=CC2=NN1)N PI-45010 [0,0,0,0,0,0|2,0,2]=4 13 B12R2.612 CN1C2=C(C=C(C=C2)I)C=N1 PI-34951 [0,0,0,0,0,0|3,1,0]=4 14 B12R2.612 CN1C2=C(C=C(C=C2)N)C=N1 PI-34947 [0,0,0,0,0,0|4,0,0]=4 15 B12R2.612 ClC1=NNC2=C1C=CC(Br)=C2 PI-46682 [0,0,0,0,0,0|1,1,0]=2 16 B12R2.612 Clc1ccc2C(=O)CCc2c1 PI-31195 [0,0,0,0,0,0|2,0,1]=3 17 B12R2.612 FC1=CC2=C(C=C1)C(Br)=NN2 PI-46756 [0,0,0,0,0,0|1,1,0]=2 18 B12R2.612 Nc1ccc2C(=O)CCc2c1 PI-14100 [0,0,0,0,0,0|3,0,1]=4 19 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 PI-40563 [0,0,0,0,0,0|3,0,1]=4 20 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 PI-46708 [0,0,0,0,0,0|2,0,2]=4 21 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 PI-40884 [0,0,0,0,0,0|2,0,1]=3 22 B12R2.612 OC1=CC2=C(N(C)N=C2)C=C1 PI-46693 [0,0,0,0,0,0|4,0,0]=4 23 B12R2.612 Oc1ccc2C(=O)CCc2c1 PI-11505 [0,0,0,0,0,0|3,0,1]=4 24 B11R2.1 B1(C2=CC=CC=C2CO1)O PI-25687 [1,0,0,0,0,0|3,0,0]=4 25 B11R2.1 BrC1=NNC2=C1C=CN=C2 PI-46689 [1,0,0,0,0,0|2,0,0]=3 26 B11R2.1 C1=CC2=C(NC=C2Br)N=C1 PI-41228 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.1 C1=CC2=C(NC=C2Cl)N=C1 PI-42708 [1,0,0,0,0,0|3,0,0]=4 28 B11R2.1 C1=CC2=C(NN=C2C=C1)Br PI-34805 [1,0,0,0,0,0|1,0,2]=4 29 B11R2.1 C1=CC2=NN=C(N2C=C1)Br PI-44880 [1,0,0,0,0,0|2,0,1]=4 30 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [1,0,0,0,0,0|2,0,0]=3 31 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br PI-17445 [1,0,0,0,0,0|3,0,0]=4 32 B11R2.1 C1=CC=C2C(=C1)C(=CS2)Br PI-14249 [1,0,0,0,0,0|3,0,0]=4 33 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [1,0,0,0,0,0|2,0,0]=3 34 B11R2.1 C1=CC=C2C(=C1)C(=NO2)N PI-14154 [1,0,0,0,0,0|2,0,0]=3 35 B11R2.1 C1=CC=C2C(=C1)C(=NS2)Cl PI-12200 [1,0,0,0,0,0|2,0,0]=3 36 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 PI-11536 [1,0,0,0,0,0|1,0,2]=4 37 B11R2.1 C1=CC=C2C(=C1)C=NN2N PI-44096 [1,0,0,0,0,0|3,0,0]=4 38 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [1,0,0,0,0,0|2,0,1]=4 39 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [1,0,0,0,0,0|2,0,1]=4 40 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [1,0,0,0,0,0|2,0,1]=4 41 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [1,0,0,0,0,0|3,0,0]=4 42 B11R2.1 CN1C2=CC=CC=C2N=N1 PI-17166 [1,0,0,0,0,0|2,0,1]=4 43 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [1,0,0,0,0,0|2,0,0]=3 44 B11R2.1 ClC1=CNC2=C1C=NC=C2 PI-36987 [1,0,0,0,0,0|3,0,0]=4 45 B11R2.1 ClC1=NN=C2C=CC=CN21 PI-46802 [1,0,0,0,0,0|2,0,1]=4 46 B11R2.1 ClC1=NOC2=C1C=CC=C2 PI-15670 [1,0,0,0,0,0|2,0,0]=3 47 B11R2.1 NC1=CNC2=C1C=NC=C2 PI-36984 [1,0,0,0,0,0|3,0,0]=4 48 B11R2.1 NC1=NSC2=NC=CC=C21 PI-46733 [1,0,0,0,0,0|3,0,0]=4 49 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [1,0,0,0,0,0|2,0,1]=4 50 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [1,0,0,0,0,0|2,0,1]=4 51 B11R2.1 O=C1SSC2=CC=CC=C12 PI-41753 [1,0,0,0,0,0|2,0,1]=4 52 B11R2.1 On1nnc2ccccc12 PI-15275 [1,0,0,0,0,0|1,0,1]=3 53 B11R2.1 On1nnc2ccccc12 PI-15359 [1,0,0,0,0,0|1,0,1]=3 54 B11R2.36 BrC1=CC2=C(C=CS2)C=C1 PI-39747 [1,0,0,0,0,0|2,1,0]=4 55 B11R2.36 Brc1ccc2c(c1)[nH]cc2 PI-10006 [1,0,0,0,0,0|1,1,0]=3 56 B11R2.36 Brc1cnc2c(c1)[nH]cc2 PI-39081 [1,0,0,0,0,0|2,1,0]=4 57 B11R2.36 Brc1ncc2c(c1)[nH]cc2 PI-39092 [1,0,0,0,0,0|2,1,0]=4 58 B11R2.36 C1=CC(=CC2=C1C=CN2)F PI-10018 [1,0,0,0,0,0|1,1,0]=3 59 B11R2.36 C1=CC(=CC2=C1C=CN2)N PI-16826 [1,0,0,0,0,0|2,0,0]=3 60 B11R2.36 C1=CC2=C(C=C1Br)C=NN2 PI-34641 [1,0,0,0,0,0|2,1,0]=4 61 B11R2.36 C1=CC2=C(C=C1Br)NC=N2 PI-44962 [1,0,0,0,0,0|2,1,0]=4 62 B11R2.36 C1=CC2=C(C=C1Br)NN=C2 PI-33950 [1,0,0,0,0,0|0,1,0]=2 63 B11R2.36 C1=CC2=C(C=C1Cl)C=NN2 PI-34938 [1,0,0,0,0,0|2,0,0]=3 64 B11R2.36 C1=CC2=C(C=C1Cl)N=CO2 PI-12027 [1,0,0,0,0,0|2,0,1]=4 65 B11R2.36 C1=CC2=C(C=C1Cl)N=CS2 PI-45363 [1,0,0,0,0,0|2,0,1]=4 66 B11R2.36 C1=CC2=C(C=C1Cl)NN=C2 PI-34962 [1,0,0,0,0,0|0,0,0]=1 67 B11R2.36 C1=CC2=C(C=C1F)C=NN2 PI-34939 [1,0,0,0,0,0|2,1,0]=4 68 B11R2.36 C1=CC2=C(C=C1F)NC=N2 PI-45215 [1,0,0,0,0,0|2,1,0]=4 69 B11R2.36 C1=CC2=C(C=C1F)NN=C2 PI-34959 [1,0,0,0,0,0|0,1,0]=2 70 B11R2.36 C1=CC2=C(C=C1N)C=NN2 PI-17683 [1,0,0,0,0,0|3,0,0]=4 71 B11R2.36 C1=CC2=C(C=C1N)NC=N2 PI-34794 [1,0,0,0,0,0|3,0,0]=4 72 B11R2.36 C1=CC2=C(C=C1N)NC=N2 PI-45761 [1,0,0,0,0,0|3,0,0]=4 73 B11R2.36 C1=CC2=C(C=C1O)C=NN2 PI-44936 [1,0,0,0,0,0|3,0,0]=4 74 B11R2.36 C1=CC2=C(C=C1O)NN=C2 PI-45210 [1,0,0,0,0,0|1,0,0]=2 75 B11R2.36 C1=CC2=C(C=CS2)C=C1Cl PI-14313 [1,0,0,0,0,0|3,0,0]=4 76 B11R2.36 C1=CNC2=NC(=NC=C21)Cl PI-38933 [1,0,0,0,0,0|3,0,0]=4 77 B11R2.36 C1CNC2=C1C=C(C=C2)Cl PI-11098 [1,0,0,0,0,0|3,0,0]=4 78 B11R2.36 C1CNC2=C1C=CC(=C2)Br PI-36067 [1,0,0,0,0,0|1,1,1]=4 79 B11R2.36 C1OC2=C(O1)C=C(C=C2)Cl PI-30880 [1,0,0,0,0,0|3,0,0]=4 80 B11R2.36 CC1=CC2=C(C=C1)N=CN2 PI-29770 [1,0,0,0,0,0|3,0,0]=4 81 B11R2.36 CC1=CC2=C(C=N1)C=CN2 PI-36829 [1,0,0,0,0,0|3,0,0]=4 82 B11R2.36 CC1=CC=C2[NH]N=CC2=C1 PI-41809 [1,0,0,0,0,0|3,0,0]=4 83 B11R2.36 Cc1ccc2c(c1)[nH]cc2 PI-16265 [1,0,0,0,0,0|2,0,0]=3 84 B11R2.36 ClC1=CC2=C(C=C1)C=CN2 PI-20431 [1,0,0,0,0,0|1,0,0]=2 85 B11R2.36 ClC1=CC2=C(NN=C2)C=N1 PI-46697 [1,0,0,0,0,0|3,0,0]=4 86 B11R2.36 ClC1=CC2=NSN=C2C=C1 PI-11637 [1,0,0,0,0,0|2,0,1]=4 87 B11R2.36 ClC1=CC=C2[NH]N=CC2=N1 PI-42635 [1,0,0,0,0,0|3,0,0]=4 88 B11R2.36 Clc1ccc2CCNc2c1 PI-36115 [1,0,0,0,0,0|1,0,1]=3 89 B11R2.36 Clc1ccc2c(c1)cc[nH]2 PI-10008 [1,0,0,0,0,0|3,0,0]=4 90 B11R2.36 Clc1ncc2c(c1)[nH]cc2 PI-36950 [1,0,0,0,0,0|2,0,0]=3 91 B11R2.36 Clc1ncc2c(c1)[nH]nc2 PI-39108 [1,0,0,0,0,0|1,0,0]=2 92 B11R2.36 IC1=CC=C2[NH]N=CC2=C1 PI-34940 [1,0,0,0,0,0|2,1,0]=4 93 B11R2.36 Ic1ccc2c(c1)[nH]nc2 PI-34958 [1,0,0,0,0,0|0,1,0]=2 94 B11R2.36 Nc1ccc2c(c1)[nH]nc2 PI-34961 [1,0,0,0,0,0|1,0,0]=2 95 B11R2.36 Oc1ccc2cc[nH]c2c1 PI-16028 [1,0,0,0,0,0|2,0,0]=3 96 B11R2.36 Oc1ccc2nc[nH]c2c1 PI-36411 [1,0,0,0,0,0|3,0,0]=4 97 B13R2.662 C1=CC2=C(C=C1F)NC=C2C=O PI-23602 [0,1,0,0,0,0|1,1,1]=4 98 B13R2.5187 C1=C(Cl)C=CC2=C1C(OC2=O)=O PI-16083 [0,1,0,0,0,0|2,0,1]=4 99 B13R2.5190 C1=CC2=C(C=C1Br)NC(=O)C2=O PI-44938 [0,1,0,0,0,0|1,1,1]=4 100 B13R2.5190 C1=CC2=C(C=C1F)NC(=O)C2=O PI-40287 [0,1,0,0,0,0|1,1,1]=4 101 B13R2.5190 Clc1ccc2c(c1)NC(=O)C2=O PI-10574 [0,1,0,0,0,0|1,0,1]=3 102 B13R2.5190 Ic1ccc2c(c1)NC(=O)C2=O PI-35977 [0,1,0,0,0,0|1,1,1]=4 103 B13R2.5190 O=C1C(C)CC2=C1C=CC(Cl)=C2 PI-40270 [0,1,0,0,0,0|2,0,1]=4 104 B13R2.11634 CC1=CC2=C(C=C1Cl)C(Cl)=NN2 PI-46696 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.22 BrCC(=O)c1ccc(cc1)Cl PI-12174 [0,0,1,0,0,0|2,0,1]=4 106 B11R1.22 C1=CC(=CC=C1C(=NO)N)Br PI-14454 [0,0,1,0,0,0|2,1,0]=4 107 B11R1.22 C1=CC(=CC=C1C(=NO)N)Cl PI-30654 [0,0,1,0,0,0|2,0,0]=3 108 B11R1.22 C1=CC(=CC=C1C(=NO)N)F PI-23442 [0,0,1,0,0,0|2,1,0]=4 109 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Cl PI-33167 [0,0,1,0,0,0|2,0,1]=4 110 B11R1.22 C1=CC(=CC=C1C(=O)CF)Cl PI-30480 [0,0,1,0,0,0|2,0,1]=4 111 B11R1.22 C1=CC(=CC=C1C(=O)CN)Br PI-29690 [0,0,1,0,0,0|1,1,1]=4 112 B11R1.22 C1=CC(=CC=C1C(=O)CN)Cl PI-16147 [0,0,1,0,0,0|1,0,1]=3 113 B11R1.22 C1=CC(=CC=C1C(=O)CN)F PI-10226 [0,0,1,0,0,0|1,1,1]=4 114 B11R1.22 C1=CC(=CC=C1C(=O)CN)O PI-49411 [0,0,1,0,0,0|2,0,1]=4 115 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [0,0,1,0,0,0|2,0,1]=4 116 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br PI-20532 [0,0,1,0,0,0|0,1,2]=4 117 B11R1.22 C1=CC(=CC=C1C(=O)NN)F PI-23456 [0,0,1,0,0,0|0,1,2]=4 118 B11R1.22 C1=CC(=CC=C1C(=O)NN)I PI-50270 [0,0,1,0,0,0|0,1,2]=4 119 B11R1.22 C1=CC(=CC=C1C(=O)NN)N PI-50237 [0,0,1,0,0,0|1,0,2]=4 120 B11R1.22 C1=CC(=CC=C1C(=O)NN)O PI-50238 [0,0,1,0,0,0|1,0,2]=4 121 B11R1.22 C1=CC(=NC=C1C(=O)NN)Cl PI-50259 [0,0,1,0,0,0|1,0,2]=4 122 B11R1.22 CC1=CC=C(C=C1)C(=NO)N PI-30254 [0,0,1,0,0,0|3,0,0]=4 123 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [0,0,1,0,0,0|2,0,1]=4 124 B11R1.22 CC1=CC=C(C=C1)C(=O)NN PI-24359 [0,0,1,0,0,0|1,0,2]=4 125 B11R1.22 COC(=O)c1ccc(Cl)cc1 PI-30070 [0,0,1,0,0,0|2,0,1]=4 126 B11R1.22 NNC(=O)c1ccc(cc1)Cl PI-23138 [0,0,1,0,0,0|0,0,2]=3 127 B11R1.22 O=C(C#N)C1=CC=C(Cl)C=C1 PI-40041 [0,0,1,0,0,0|1,0,2]=4 128 B11R1.24 C1=CC(=CC(=C1)Cl)C#CCO PI-20217 [0,0,1,0,0,0|2,0,1]=4 129 B11R1.24 C1=CC(=CC(=C1)Cl)CN=C=S PI-23617 [0,0,1,0,0,0|1,1,1]=4 130 B11R1.24 C1=CC(=CC(=C1)Cl)\C=C\C=O PI-46546 [0,0,1,0,0,0|2,0,1]=4 131 B11R1.166 B(C1=C(C=C(C=C1)Cl)C)(O)O PI-19305 [0,0,1,0,0,0|3,0,0]=4 132 B11R1.166 Brc1ccc(C(=O)O)c(F)c1 PI-16060 [0,0,1,0,0,0|2,1,0]=4 133 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O PI-28671 [0,0,1,0,0,0|2,1,0]=4 134 B11R1.166 C1=CC(=C(C=C1Br)N)C(=O)O PI-18326 [0,0,1,0,0,0|1,1,0]=3 135 B11R1.166 C1=CC(=C(C=C1Br)O)C(=O)O PI-21374 [0,0,1,0,0,0|2,1,0]=4 136 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)N PI-30371 [0,0,1,0,0,0|1,0,2]=4 137 B11R1.166 C1=CC(=C(C=C1Cl)F)C(=O)Cl PI-11845 [0,0,1,0,0,0|2,0,1]=4 138 B11R1.166 C1=CC(=C(C=C1Cl)N)C(=O)N PI-35500 [0,0,1,0,0,0|0,0,2]=3 139 B11R1.166 C1=CC(=C(C=C1Cl)N)[N+](=O)[O-] PI-11297 [0,0,1,0,0,0|2,0,1]=4 140 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O PI-33938 [0,0,1,0,0,0|2,0,0]=3 141 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O PI-16061 [0,0,1,0,0,0|2,1,0]=4 142 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O PI-16103 [0,0,1,0,0,0|2,1,0]=4 143 B11R1.166 C1=CC(=C(C=C1F)I)C(=O)O PI-34280 [0,0,1,0,0,0|2,1,0]=4 144 B11R1.166 C1=CC(=C(C=C1N)Cl)C(=O)O PI-10541 [0,0,1,0,0,0|3,0,0]=4 145 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)O PI-27599 [0,0,1,0,0,0|3,0,0]=4 146 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O PI-28723 [0,0,1,0,0,0|3,0,0]=4 147 B11R1.166 C1=CC(=CC(=C1C(O)=O)Br)Br PI-41212 [0,0,1,0,0,0|2,1,0]=4 148 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Br PI-20599 [0,0,1,0,0,0|2,0,1]=4 149 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Cl PI-33128 [0,0,1,0,0,0|2,0,1]=4 150 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O PI-30853 [0,0,1,0,0,0|2,0,1]=4 151 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)N PI-30973 [0,0,1,0,0,0|2,0,1]=4 152 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)O PI-10190 [0,0,1,0,0,0|2,1,0]=4 153 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C PI-16114 [0,0,1,0,0,0|3,0,0]=4 154 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F PI-18894 [0,0,1,0,0,0|3,0,0]=4 155 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O PI-15312 [0,0,1,0,0,0|3,0,0]=4 156 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O PI-22123 [0,0,1,0,0,0|3,0,0]=4 157 B11R1.166 Cc1ccc(c(c1)N)C(=O)N PI-30565 [0,0,1,0,0,0|1,0,2]=4 158 B11R1.166 Cc1ccc(c(c1)N)C(=O)O PI-34285 [0,0,1,0,0,0|2,0,0]=3 159 B11R1.166 ClC1=C(C(=O)O)C=CC(=N1)Cl PI-31177 [0,0,1,0,0,0|3,0,0]=4 160 B11R1.166 Clc1ccc(B(O)O)c(F)c1 PI-25209 [0,0,1,0,0,0|3,0,0]=4 161 B11R1.166 Clc1ccc(C(=O)O)c(F)c1 PI-16109 [0,0,1,0,0,0|2,0,0]=3 162 B11R1.166 Clc1ccc(C(=O)O)c(N)c1 PI-14296 [0,0,1,0,0,0|1,0,0]=2 163 B11R1.166 Clc1ccc(C(=S)N)c(Cl)c1 PI-30416 [0,0,1,0,0,0|1,1,1]=4 164 B11R1.166 Clc1ccc(c(c1)Br)C(=O)O PI-20610 [0,0,1,0,0,0|2,0,0]=3 165 B11R1.166 Clc1ccc(c(c1)Cl)B(O)O PI-11579 [0,0,1,0,0,0|3,0,0]=4 166 B11R1.166 Clc1cnc(c(c1)Cl)C(=O)O PI-16047 [0,0,1,0,0,0|3,0,0]=4 167 B11R1.166 Fc1ccc(C(=O)O)c(F)c1 PI-10195 [0,0,1,0,0,0|2,1,0]=4 168 B11R1.166 Fc1ccc(C(=O)O)c(N)c1 PI-16067 [0,0,1,0,0,0|1,1,0]=3 169 B11R1.166 Fc1ccc(C(=O)O)c(O)c1 PI-34804 [0,0,1,0,0,0|2,1,0]=4 170 B11R1.166 Ic1ccc(C(=O)O)c(N)c1 PI-35979 [0,0,1,0,0,0|1,1,0]=3 171 B11R1.166 Nc1ccc(c(c1)C)C(=O)O PI-38300 [0,0,1,0,0,0|3,0,0]=4 172 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I PI-41942 [0,0,1,0,0,0|2,1,0]=4 173 B11R1.166 OC(=O)c1cnc(cc1Cl)Cl PI-38189 [0,0,1,0,0,0|3,0,0]=4 174 B11R1.166 Oc1ccc(C(=O)O)c(Cl)c1 PI-18689 [0,0,1,0,0,0|3,0,0]=4 175 B13R2.3683 Brc1ccc2c(c1)cnc(n2)Cl PI-34844 [0,0,0,0,0,1|2,1,0]=4 176 B13R2.3683 Brc1ccc2c(c1)cnc(n2)N PI-34644 [0,0,0,0,0,1|2,1,0]=4 177 B13R2.3683 C1=CC2=C(C=CC(=C2)Cl)C=C1O PI-36575 [0,0,0,0,0,1|2,0,0]=3 178 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)Cl PI-29974 [0,0,0,0,0,1|3,0,0]=4 179 B13R2.3683 Clc1ccc2c(c1)ccc(c2)Cl PI-16536 [0,0,0,0,0,1|3,0,0]=4 180 B13R2.3683 Clc1ccc2c(c1)ncc(n2)Cl PI-11765 [0,0,0,0,0,1|2,0,1]=4 181 B13R2.3683 Oc1ccc2c(c1)ccc(n2)Cl PI-39000 [0,0,0,0,0,1|3,0,0]=4 182 B13R2.3683 Oc1ccc2c(c1)ccc(n2)O PI-38999 [0,0,0,0,0,1|3,0,0]=4 183 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 PI-12042 [0,0,0,0,0,1|2,1,0]=4 184 B13R2.3683 Oc1ccc2cc(O)ccc2c1 PI-10866 [0,0,0,0,0,1|3,0,0]=4 185 B13R2.5179 BrC1=CC=C2C(=NC=CC2=C1)N PI-39738 [0,0,0,0,0,1|2,1,0]=4 186 B13R2.5179 Brc1ccc2c(Cl)ncnc2c1 PI-36126 [0,0,0,0,0,1|1,1,1]=4 187 B13R2.5179 Brc1ccc2c(c1)cn[nH]c2=O PI-36953 [0,0,0,0,0,1|1,1,1]=4 188 B13R2.5179 C1=CC2=C(C=C1F)NC=CC2=O PI-29545 [0,0,0,0,0,1|1,1,1]=4 189 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)O PI-32101 [0,0,0,0,0,1|3,0,0]=4 190 B13R2.5179 C1CC2=C(C=CC(=C2)Cl)C(=O)C1 PI-32677 [0,0,0,0,0,1|2,0,1]=4 191 B13R2.5179 CC1=CC2=C(C=C1)C(=NC=C2)Cl PI-34194 [0,0,0,0,0,1|3,0,0]=4 192 B13R2.5179 CC1=CC2=C(C=C1)C(=NC=C2)N PI-34195 [0,0,0,0,0,1|3,0,0]=4 193 B13R2.5179 Clc1ccc2c(c1)OCCC2=O PI-32697 [0,0,0,0,0,1|2,0,1]=4 194 B13R2.5179 Clc1ccc2c(c1)nccc2Cl PI-16432 [0,0,0,0,0,1|2,0,1]=4 195 B13R2.5179 Clc1ccc2c(c1)nccc2O PI-32129 [0,0,0,0,0,1|1,0,1]=3 196 B13R2.5179 Clc1ccc2c(ncnc2Cl)c1 PI-36120 [0,0,0,0,0,1|1,0,1]=3 197 B13R2.5179 Fc1ccc2c(Cl)ncnc2c1 PI-36119 [0,0,0,0,0,1|1,1,1]=4 198 B13R2.5179 NC1=C2C=CC(Br)=CC2=NC=N1 PI-46815 [0,0,0,0,0,1|1,1,1]=4 199 B13R2.5179 Nc1ccc2c(O)cccc2c1 PI-18377 [0,0,0,0,0,1|3,0,0]=4 200 B13R2.5179 O=C1C=CNC2=C1C=CC(C)=C2 PI-46705 [0,0,0,0,0,1|2,0,1]=4 201 B10R1.1 C1=CC(=CC=C1C=NO)Cl PI-27545 [1,0,1,0,0,0|1,0,0]=3 202 B10R1.1 C1=CC(=CC=C1C=NO)F PI-23440 [1,0,1,0,0,0|1,1,0]=4 203 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [1,0,1,0,0,0|1,1,0]=4 204 B10R1.13 C1=C(C(=N)N)C=CC(=C1)F PI-38824 [1,0,1,0,0,0|1,1,0]=4 205 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-23130 [1,0,1,0,0,0|1,0,0]=3 206 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-36543 [1,0,1,0,0,0|1,0,0]=3 207 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-10167 [1,0,1,0,0,0|2,0,0]=4 208 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-30927 [1,0,1,0,0,0|2,0,0]=4 209 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [1,0,1,0,0,0|0,0,1]=3 210 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [1,0,1,0,0,0|1,0,1]=4 211 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [1,0,1,0,0,0|1,1,0]=4 212 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [1,0,1,0,0,0|2,0,0]=4 213 B10R1.13 C1=CC(=CC=C1C(=S)N)Br PI-22614 [1,0,1,0,0,0|0,2,0]=4 214 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [1,0,1,0,0,0|0,1,1]=4 215 B10R1.13 C1=CC(=NC=C1C(=O)N)Cl PI-30802 [1,0,1,0,0,0|1,0,1]=4 216 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [1,0,1,0,0,0|2,0,0]=4 217 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [1,0,1,0,0,0|1,0,1]=4 218 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [1,0,1,0,0,0|1,0,1]=4 219 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [1,0,1,0,0,0|2,0,0]=4 220 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [1,0,1,0,0,0|1,1,0]=4 221 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [1,0,1,0,0,0|1,0,1]=4 222 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [1,0,1,0,0,0|1,0,1]=4 223 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [1,0,1,0,0,0|1,0,1]=4 224 B10R1.13 Clc1ccc(cc1)B(O)O PI-10311 [1,0,1,0,0,0|2,0,0]=4 225 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [1,0,1,0,0,0|1,1,0]=4 226 B10R1.13 NC(=N)c1ccc(cc1)Cl PI-30146 [1,0,1,0,0,0|1,0,0]=3 227 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [1,0,1,0,0,0|0,1,1]=4 228 B10R1.13 NC(=S)c1ccc(cc1)Cl PI-30378 [1,0,1,0,0,0|0,1,0]=3 229 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [1,0,1,0,0,0|1,1,0]=4 230 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [1,0,1,0,0,0|1,0,1]=4 231 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [1,0,1,0,0,0|0,1,1]=4 232 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [1,0,1,0,0,0|2,0,0]=4 233 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [1,0,1,0,0,0|1,0,1]=4 234 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [1,0,1,0,0,0|2,0,0]=4 235 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [1,0,1,0,0,0|1,0,1]=4 236 B10R1.15 NCC(O)c1ccccc1 PI-17268 [1,0,1,0,0,0|1,0,1]=4 237 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [1,0,1,0,0,0|1,0,1]=4 238 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [1,0,1,0,0,0|2,0,0]=4 239 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [1,0,1,0,0,0|2,0,0]=4 240 B10R1.10 C1=CC(=CC(=C1)Br)C=NO PI-27659 [1,0,1,0,0,0|1,1,0]=4 241 B10R1.10 C1=CC(=CC(=C1)Cl)C=NO PI-27977 [1,0,1,0,0,0|1,0,0]=3 242 B10R1.10 OCCc1cccc(c1)Cl PI-38594 [1,0,1,0,0,0|1,0,1]=4 243 B10R1.17 C1=CC=C(C=C1)NNC=O PI-29787 [1,0,1,0,0,0|0,0,2]=4 244 B10R1.25 C1=CC(=C(C=C1Cl)F)C=O PI-28681 [1,0,1,0,0,0|1,0,1]=4 245 B10R1.25 C1=CC(=C(C=C1Cl)F)CO PI-40484 [1,0,1,0,0,0|1,0,1]=4 246 B10R1.25 C1=CC(=C(C=C1F)N)C=O PI-44252 [1,0,1,0,0,0|0,1,1]=4 247 B10R1.25 C1=CC(=C(C=C1N)N)C=O PI-44093 [1,0,1,0,0,0|1,0,1]=4 248 B10R1.25 CC1=CC(=C(C=C1)CO)N PI-26925 [1,0,1,0,0,0|1,0,1]=4 249 B10R1.25 ClC1=CC(=C(C=O)C=C1)O PI-26343 [1,0,1,0,0,0|1,0,1]=4 250 B10R1.25 N#Cc1ccc(Cl)cc1N PI-11782 [1,0,1,0,0,0|0,0,2]=4 251 B10R1.25 NC1=C(C=O)C=CC(=C1)Br PI-41093 [1,0,1,0,0,0|0,1,1]=4 252 B10R1.25 O=Cc1ccc(cc1Br)Cl PI-36966 [1,0,1,0,0,0|1,0,1]=4 253 B10R1.25 O=Cc1ccc(cc1C)Cl PI-27562 [1,0,1,0,0,0|1,0,1]=4 254 B10R1.25 OCc1ccc(Cl)cc1Cl PI-12129 [1,0,1,0,0,0|1,0,1]=4 255 B10R1.30 C1=CC(=C(C=C1Cl)C#N)O PI-44911 [1,0,1,0,0,0|1,0,1]=4 256 B10R1.30 C1=CC(=C(C=C1Cl)C=O)O PI-12029 [1,0,1,0,0,0|2,0,0]=4 257 B10R1.30 C1=CC(=C(C=C1Cl)CO)O PI-12028 [1,0,1,0,0,0|2,0,0]=4 258 B10R1.30 C1=CC(=C(C=C1Cl)NN)Cl PI-29450 [1,0,1,0,0,0|1,0,1]=4 259 B10R1.30 C1=CC(=C(C=C1Cl)NN)Cl PI-29640 [1,0,1,0,0,0|1,0,1]=4 260 B10R1.61 B(C1=CC=CC=C1N)(O)O PI-31530 [1,0,1,0,0,0|2,0,0]=4 261 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I PI-18960 [1,0,1,0,0,0|2,0,0]=4 262 B10R1.61 C1=CC=C(C(=C1)C(=O)O)S PI-40146 [1,0,1,0,0,0|2,0,0]=4 263 B10R1.61 C1=CC=C(C(=C1)C(=S)N)N PI-17294 [1,0,1,0,0,0|0,1,1]=4 264 B10R1.61 C1=CN=CC(=C1C(=O)O)N PI-33158 [1,0,1,0,0,0|2,0,0]=4 265 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [1,0,1,0,0,0|1,0,1]=4 266 B10R1.61 CC(=O)c1ccccc1N PI-11796 [1,0,1,0,0,0|1,0,1]=4 267 B10R1.61 CC(O)C1=CC=CC=C1N PI-46775 [1,0,1,0,0,0|1,0,1]=4 268 B10R1.61 OC(=O)c1ccccc1F PI-16976 [1,0,1,0,0,0|2,0,0]=4 269 B10R1.61 OC(=O)c1cccnc1N PI-31221 [1,0,1,0,0,0|2,0,0]=4 270 B10R1.61 OC(=O)c1ccncc1N PI-10177 [1,0,1,0,0,0|2,0,0]=4 271 B10R1.61 OC(=O)c1cnccc1N PI-10029 [1,0,1,0,0,0|2,0,0]=4 272 B10R1.61 OC(=O)c1ncccc1N PI-14129 [1,0,1,0,0,0|2,0,0]=4 273 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [2,0,0,0,0,0|1,0,0]=3 274 B10R2.7 C1=CN=CC2=C1C=NN2 PI-50033 [2,0,0,0,0,0|1,0,0]=3 275 B10R2.7 C1=C[NH]C2=C1C=CN=C2 PI-10410 [2,0,0,0,0,0|2,0,0]=4 276 B10R2.7 C1=C[NH]C2=C1C=NC=C2 PI-10409 [2,0,0,0,0,0|2,0,0]=4 277 B10R2.7 C1CNC2=CC=CC=C21 PI-44710 [2,0,0,0,0,0|1,0,1]=4 278 B10R2.7 c1ccc2c(c1)[nH]cn2 PI-31348 [2,0,0,0,0,0|2,0,0]=4 279 B10R2.7 c1ccc2c(c1)[nH]nc2 PI-31379 [2,0,0,0,0,0|0,0,0]=2 280 B10R2.7 c1ccc2ccsc2c1 PI-14247 [2,0,0,0,0,0|2,0,0]=4 281 B10R2.7 c1ccc2cncn2c1 PI-36857 [2,0,0,0,0,0|2,0,0]=4 282 B10R2.7 c1cnc2[nH]ccc2c1 PI-16515 [2,0,0,0,0,0|2,0,0]=4 283 B10R2.7 c1cnc2c(c1)[nH]cc2 PI-10408 [2,0,0,0,0,0|2,0,0]=4 284 B12R1.16 C1=CC(=CC=C1C(=O)N=C=S)Cl PI-23161 [0,1,1,0,0,0|1,0,1]=4 285 B12R1.20 OC(c1ccc(cc1)Cl)C(N)C PI-10554 [0,1,1,0,0,0|1,0,1]=4 286 B12R1.367 C1=CC(=C(C=C1C(=O)NN)Cl)Cl PI-50327 [0,1,1,0,0,0|0,0,2]=4 287 B12R1.367 NNC(=O)c1ccc(Cl)c(Br)c1 PI-20607 [0,1,1,0,0,0|0,0,2]=4 288 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CN PI-10227 [0,1,1,0,0,0|1,0,1]=4 289 B12R1.1703 CC(=NO)C1=C(C=C(C=C1)Cl)Cl PI-20999 [0,1,1,0,0,0|2,0,0]=4 290 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O PI-11920 [0,1,1,0,0,0|2,0,0]=4 291 B12R1.226 C1=CC(=CC(=C1)Cl)OCC(=O)O PI-50533 [0,1,1,0,0,0|2,0,0]=4 292 B12R1.57 COc1cc(Cl)ccc1C(=O)O PI-28661 [0,1,1,0,0,0|2,0,0]=4 293 B12R1.232 C1=C(C(=CC(=C1Br)Cl)N)C(=O)O PI-45739 [0,1,1,0,0,0|1,0,0]=3 294 B12R1.232 C1=C(C(=CC(=C1Cl)Cl)Cl)C(=O)O PI-39988 [0,1,1,0,0,0|2,0,0]=4 295 B12R1.232 C1=C(C(=CC(=C1F)Cl)Cl)C(=O)O PI-16073 [0,1,1,0,0,0|2,0,0]=4 296 B12R1.232 C1=C(C(=CC(=C1F)Cl)F)C(=O)O PI-16075 [0,1,1,0,0,0|2,0,0]=4 297 B12R1.232 C1=C(C(=CC(=C1F)F)N)C(=O)O PI-10424 [0,1,1,0,0,0|1,1,0]=4 298 B12R1.232 O=C(O)C1=CC(C)=C(C)C=C1N PI-40810 [0,1,1,0,0,0|2,0,0]=4 299 B12R1.452 C1=CC(=CC(=C1C(O)=O)N)OC PI-41092 [0,1,1,0,0,0|2,0,0]=4 300 B12R1.893 NC1=C(C=CC(F)=C1F)C(O)=O PI-41759 [0,1,1,0,0,0|1,1,0]=4 301 B12R1.893 O=C(O)C1=CC=C(Br)C(F)=C1N PI-41747 [0,1,1,0,0,0|1,1,0]=4 302 B12R1.893 OC(=O)c1ccc(c(c1N)C)C PI-32620 [0,1,1,0,0,0|2,0,0]=4 303 B12R1.893 OC(=O)c1ccc(c(c1N)I)C PI-34646 [0,1,1,0,0,0|2,0,0]=4 304 B12R1.1000 C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl PI-31210 [0,1,1,0,0,0|2,0,0]=4 305 B12R2.1 BrCC1=NOC2=CC=CC=C12 PI-42779 [1,1,0,0,0,0|2,0,0]=4 306 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O PI-16169 [1,1,0,0,0,0|1,0,1]=4 307 B12R2.1 C1=CC=C2C(=C1)C(=NO2)CO PI-48272 [1,1,0,0,0,0|1,0,0]=3 308 B12R2.1 C1=CC=CC2=C1[NH]C=C2C#N PI-10233 [1,1,0,0,0,0|2,0,0]=4 309 B12R2.1 C1CC(=NO)C2=CC=CC=C21 PI-16549 [1,1,0,0,0,0|2,0,0]=4 310 B12R2.1 OCc1c[nH]c2c1cccc2 PI-16182 [1,1,0,0,0,0|1,0,0]=3 311 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [1,1,0,0,0,0|2,0,0]=4 312 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [1,1,0,0,0,0|1,0,1]=4 313 B12R2.132 CC1=CNC2=C1C=C(C=C2)F PI-22695 [1,1,0,0,0,0|2,0,0]=4 314 B12R2.132 CC1=NNC2=NC=C(Br)C=C21 PI-46814 [1,1,0,0,0,0|2,0,0]=4 315 B12R2.132 ClC1=CC2=C(NN=C2Br)C=C1 PI-46753 [1,1,0,0,0,0|1,0,0]=3 316 B12R2.132 ClC1=NNC2=C1C=C(Br)C=C2 PI-46782 [1,1,0,0,0,0|1,0,0]=3 317 B12R2.132 Clc1ccc2nnn(O)c2c1 PI-17754 [1,1,0,0,0,0|1,0,1]=4 318 B12R2.132 FC1=CC2=C(NN=C2Br)C=C1 PI-46755 [1,1,0,0,0,0|1,0,0]=3 319 B12R2.132 Oc1ccc2c(c1)c(C)c[nH]2 PI-36560 [1,1,0,0,0,0|2,0,0]=4 320 B12R2.203 C1=CC2=C(C(=C1)I)C(=NN2)N PI-45020 [1,1,0,0,0,0|1,0,0]=3 321 B12R2.2028 CN1C2=CC=CC=C2C(=N1)N PI-34974 [1,1,0,0,0,0|1,0,0]=3 322 B12R2.44 C1=CC(=CC2=C1C=CN2)C#N PI-16832 [1,1,0,0,0,0|2,0,0]=4 323 B12R2.44 C1=CC(=CC2=C1C=CN2)C=O PI-16830 [1,1,0,0,0,0|2,0,0]=4 324 B12R2.44 C1=CC2=C(C=C1C=O)NN=C2 PI-45198 [1,1,0,0,0,0|1,0,0]=3 325 B12R2.44 COc1ccc2c(c1)[nH]cc2 PI-22794 [1,1,0,0,0,0|2,0,0]=4 326 B12R2.100 Brc1cc2cc[nH]c2cc1Cl PI-36785 [1,1,0,0,0,0|1,0,0]=3 327 B12R2.100 C1=C2C=NNC2=CC(=C1Cl)Br PI-45184 [1,1,0,0,0,0|0,1,0]=3 328 B12R2.100 C1=C2C=NNC2=CC(=C1F)Br PI-45077 [1,1,0,0,0,0|0,1,0]=3 329 B12R2.100 C1=C2C=NNC2=CC(=C1F)Cl PI-45185 [1,1,0,0,0,0|0,0,0]=2 330 B12R2.100 C1=CNC2=CC(=C(C=C21)F)Cl PI-20090 [1,1,0,0,0,0|1,0,0]=3 331 B12R2.100 Cc1cc2[nH]nnc2cc1C PI-17666 [1,1,0,0,0,0|2,0,0]=4 332 B12R2.100 Clc1cc2cc[nH]c2cc1F PI-39070 [1,1,0,0,0,0|1,1,0]=4 333 B12R2.100 Fc1cc2[nH]ccc2cc1F PI-10013 [1,1,0,0,0,0|1,1,0]=4 334 B12R2.100 Oc1cc2[nH]ccc2cc1O PI-41466 [1,1,0,0,0,0|2,0,0]=4 335 B12R2.246 C1=C(C=C2C(=C1Br)C=NN2)F PI-45207 [1,1,0,0,0,0|0,1,0]=3 336 B12R2.246 C1=C(C=C2C(=C1F)C=NN2)Cl PI-45211 [1,1,0,0,0,0|0,0,0]=2 337 B12R2.246 C1=C(C=C2C(=C1F)C=NN2)F PI-44585 [1,1,0,0,0,0|0,1,0]=3 338 B12R2.246 C1=C(C=C2C(=C1F)C=NN2)F PI-45182 [1,1,0,0,0,0|0,1,0]=3 339 B12R2.246 C1=CNC2=C1C(=CC(=C2)F)F PI-10576 [1,1,0,0,0,0|1,1,0]=4 340 B12R2.246 ClC1=C2C=N[NH]C2=NC(=N1)Cl PI-41586 [1,1,0,0,0,0|2,0,0]=4 341 B12R2.246 Clc1cc(C)c2nc[nH]c2c1 PI-36369 [1,1,0,0,0,0|2,0,0]=4 342 B12R2.606 C1=CC2=C(C=C1Cl)NC(=O)S2 PI-12815 [1,1,0,0,0,0|2,0,0]=4 343 B12R2.606 C1=CC2=C(C=C1Cl)NC(=S)N2 PI-19368 [1,1,0,0,0,0|2,0,0]=4 344 B12R2.606 C1=CC2=C(C=C1Cl)NC(=S)S2 PI-28622 [1,1,0,0,0,0|2,0,0]=4 345 B12R2.606 CC1=NC2=C(N1)C=C(C=C2)Cl PI-32334 [1,1,0,0,0,0|2,0,0]=4 346 B12R2.606 CC=1NC2=C(C1)C=CC(=C2)Br PI-46796 [1,1,0,0,0,0|1,1,0]=4 347 B12R2.606 CN1C=C2C=CC(=CC2=N1)Cl PI-34966 [1,1,0,0,0,0|0,0,2]=4 348 B12R2.606 NC1=NC2=C(N1)C=C(Cl)C=C2 PI-11794 [1,1,0,0,0,0|2,0,0]=4 349 B12R2.606 O=C1Cc2ccc(Cl)cc2N1 PI-10012 [1,1,0,0,0,0|1,0,1]=4 350 B14R2.8235 C1=CC2=C(C=C1Cl)C(=NC(=N2)Cl)Cl PI-48310 [0,1,0,0,0,1|2,0,0]=4 351 B14R2.8235 Fc1ccc2nc(O)nc(O)c2c1 PI-36227 [0,1,0,0,0,1|1,1,0]=4 352 B14R2.8239 OC1=NC2=CC(Cl)=C(Cl)C=C2N=C1 PI-42650 [0,1,0,0,0,1|1,0,1]=4 353 B14R2.29365 Brc1ccc2c(c1)nc(O)nc2O PI-36147 [0,1,0,0,0,1|0,1,1]=4 354 B14R2.29365 C1=CC2=C(C=C1Cl)NC(=O)OC2=O PI-18532 [0,1,0,0,0,1|1,0,1]=4 355 B14R2.29365 Clc1ccc2c(c1)[nH]c(=O)[nH]c2=O PI-36141 [0,1,0,0,0,1|0,0,2]=4 356 B14R2.29365 Clc1ccc2c(c1)nc(Cl)nc2Cl PI-36142 [0,1,0,0,0,1|1,0,1]=4 357 B14R2.300 C1=CC2=C(C=C1Br)NN=C2C(=O)O PI-45192 [0,2,0,0,0,0|0,1,0]=3 358 B14R2.300 Clc1ccc2c([nH]cc2C(=O)O)c1 PI-36183 [0,2,0,0,0,0|1,0,0]=3 359 B14R2.300 Clc1ccc2c([nH]nc2C(=O)O)c1 PI-36181 [0,2,0,0,0,0|0,0,0]=2 360 B14R2.5719 O=[N+](C1=CC2=C(C=C1)C(C)=NN2)[O-] PI-37335 [0,2,0,0,0,0|2,0,0]=4 361 B14R2.645 C1=C2C(=CC(=C1F)Cl)NC(=O)C2=O PI-39893 [0,2,0,0,0,0|1,0,1]=4 362 B12R2.1081 C1=CC2=C(C=CN=C2)C(=C1)Cl PI-17702 [0,0,1,1,0,0|2,0,0]=4 363 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [1,0,0,0,1,0|1,0,1]=4 364 B12R1.49 C1=CC(=CC=C1CC(=O)NN)Cl PI-50326 [0,0,1,0,0,1|0,0,2]=4 365 B12R1.49 C1=CC(=CC=C1NC(=S)NN)Cl PI-29363 [0,0,1,0,0,1|0,1,1]=4 366 B12R1.233 C1=CC(=C(C=C1Cl)Cl)CC(=O)O PI-11746 [0,0,1,0,0,1|2,0,0]=4 367 B12R1.233 OC(=O)Cc1ccc(cc1Br)Cl PI-38895 [0,0,1,0,0,1|2,0,0]=4 368 B14R2.8719 Clc1ccc2C(=O)CCCNc2c1 PI-36370 [0,0,0,0,0,2|1,0,1]=4