0 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 PI-41127 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.24 Brc1ccc2c(c1)ccnc2 PI-17753 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.24 Brc1ccc2c(c1)nccn2 PI-38987 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.24 Brc1ccc2ccccc2c1 PI-11812 [0,0,0,0,0,0|1,0,0]=1 4 B12R2.24 C1=CC(=CC2=C1C=CN=C2)O PI-17780 [0,0,0,0,0,0|1,1,0]=2 5 B12R2.24 C1=CC(=NC2=C1C=NC=C2)N PI-48335 [0,0,0,0,0,0|3,0,0]=3 6 B12R2.24 C1=CC(=NC2=NC=CN=C21)N PI-34762 [0,0,0,0,0,0|4,0,0]=4 7 B12R2.24 C1=CC2=C(C=C(C=C2)N)N=C1 PI-45912 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.24 C1=CC2=C(C=CC(=C2)Br)N=C1 PI-29666 [0,0,0,0,0,0|2,0,0]=2 9 B12R2.24 C1=CC2=C(C=CC(=C2)Cl)N=C1 PI-11112 [0,0,0,0,0,0|2,0,0]=2 10 B12R2.24 C1=CC2=C(C=CC(=N2)Cl)N=C1 PI-45472 [0,0,0,0,0,0|3,0,0]=3 11 B12R2.24 C1=CC2=C(C=CN=C2)C=C1N PI-48190 [0,0,0,0,0,0|2,0,0]=2 12 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [0,0,0,0,0,0|1,1,0]=2 13 B12R2.24 C1=CC2=NC=C(C=C2N=C1)I PI-45476 [0,0,0,0,0,0|3,0,0]=3 14 B12R2.24 C1=CC2=NC=C(C=C2N=C1)N PI-45475 [0,0,0,0,0,0|3,0,0]=3 15 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br PI-16426 [0,0,0,0,0,0|2,0,0]=2 16 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O PI-35162 [0,0,0,0,0,0|1,1,0]=2 17 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Br PI-29304 [0,0,0,0,0,0|2,0,0]=2 18 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)N PI-11108 [0,0,0,0,0,0|2,0,0]=2 19 B12R2.24 C1=CC=C2C(=C1)C=CC(=S)N2 PI-29414 [0,0,0,0,0,0|1,0,1]=2 20 B12R2.24 C1=CC=C2C(=C1)N=CC(=N2)Cl PI-49348 [0,0,0,0,0,0|3,0,0]=3 21 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [0,0,0,0,0,0|2,1,0]=3 22 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl PI-24669 [0,0,0,0,0,0|1,0,0]=1 23 B12R2.24 C1=CC=C2C=[N+](C=CC2=C1)[O-] PI-17902 [0,0,0,0,0,0|1,1,0]=2 24 B12R2.24 C1=CN=C2C(=N1)C=C(C=N2)Br PI-29655 [0,0,0,0,0,0|4,0,0]=4 25 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [0,0,0,0,0,0|2,1,1]=4 26 B12R2.24 C1CN=CC2=C1C=CC(=C2)Cl PI-41043 [0,0,0,0,0,0|2,0,2]=4 27 B12R2.24 CC1=CC2=CC=CC=C2N=C1 PI-16429 [0,0,0,0,0,0|2,0,0]=2 28 B12R2.24 CC1=CC2=NC=CN=C2C=C1 PI-33134 [0,0,0,0,0,0|3,0,0]=3 29 B12R2.24 CC1=CC=C2N=CC=CC2=N1 PI-40595 [0,0,0,0,0,0|3,0,0]=3 30 B12R2.24 Cc1ccc2c(n1)cccc2 PI-11867 [0,0,0,0,0,0|2,0,0]=2 31 B12R2.24 Clc1ccc2ccccc2n1 PI-16418 [0,0,0,0,0,0|2,0,0]=2 32 B12R2.24 FC1=CC=C2C=CC=CC2=C1 PI-37208 [0,0,0,0,0,0|1,0,0]=1 33 B12R2.24 Ic1ccc2c(c1)cccc2 PI-18754 [0,0,0,0,0,0|1,0,0]=1 34 B12R2.24 NC1=NC=C2C=CC=CC2=N1 PI-46795 [0,0,0,0,0,0|3,0,0]=3 35 B12R2.24 Nc1ccc2c(c1)cccc2 PI-25969 [0,0,0,0,0,0|1,0,0]=1 36 B12R2.24 Nc1ccc2c(c1)cccn2 PI-29716 [0,0,0,0,0,0|2,0,0]=2 37 B12R2.24 Nc1ccc2c(c1)nccn2 PI-33792 [0,0,0,0,0,0|3,0,0]=3 38 B12R2.24 Nc1cnc2ccccc2c1 PI-29717 [0,0,0,0,0,0|2,0,0]=2 39 B12R2.24 Nc1ncc2ccccc2c1 PI-14103 [0,0,0,0,0,0|2,0,0]=2 40 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [0,0,0,0,0,0|0,1,3]=4 41 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [0,0,0,0,0,0|1,1,2]=4 42 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [0,0,0,0,0,0|2,1,1]=4 43 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [0,0,0,0,0,0|1,1,2]=4 44 B12R2.24 Oc1ccc2c(c1)cccn2 PI-11465 [0,0,0,0,0,0|1,1,0]=2 45 B12R2.24 Oc1ccc2c(c1)nccc2 PI-12046 [0,0,0,0,0,0|1,1,0]=2 46 B12R2.24 Oc1ccc2c(n1)cccc2 PI-17352 [0,0,0,0,0,0|1,1,0]=2 47 B12R2.24 Oc1ccc2cnccc2c1 PI-34184 [0,0,0,0,0,0|1,1,0]=2 48 B12R2.24 SC1=CC=C2C=CC=CC2=C1 PI-25970 [0,0,0,0,0,0|0,0,0]=0 49 B11R2.20 C12=CC=CN=C1C=CC=C2 PI-47013 [1,0,0,0,0,0|1,0,0]=2 50 B11R2.20 C1=CC2=C(C=CN=C2)N=C1 PI-13294 [1,0,0,0,0,0|2,0,0]=3 51 B11R2.20 C1=CC2=C(N=C1)N=CC=C2 PI-18404 [1,0,0,0,0,0|2,0,0]=3 52 B11R2.20 C1=CC2=NC=CN=C2N=C1 PI-25440 [1,0,0,0,0,0|3,0,0]=4 53 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 PI-29663 [1,0,0,0,0,0|1,0,0]=2 54 B11R2.20 C1=Cc2c(CC1)cccc2 PI-25582 [1,0,0,0,0,0|0,0,2]=3 55 B11R2.20 C1CN=CC2=CC=CC=C21 PI-17411 [1,0,0,0,0,0|1,0,2]=4 56 B11R2.20 c1ccc2c(c1)cnnc2 PI-38024 [1,0,0,0,0,0|2,0,0]=3 57 B11R2.20 c1cnc2c(c1)nccc2 PI-18405 [1,0,0,0,0,0|2,0,0]=3 58 B13R2.32 Brc1ccc2c(c1O)cccc2 PI-39182 [0,1,0,0,0,0|1,0,0]=2 59 B13R2.32 C1=CC(=O)C(=C2C1=CNC=C2)Cl PI-44811 [0,1,0,0,0,0|1,1,0]=3 60 B13R2.32 C1=CC2=C(C=CC(=C2Cl)O)N=C1 PI-44806 [0,1,0,0,0,0|1,1,0]=3 61 B13R2.32 C1=CC=C2C(=C1)C(=C(C=N2)O)Cl PI-44804 [0,1,0,0,0,0|1,1,0]=3 62 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)O PI-18432 [0,1,0,0,0,0|0,1,0]=2 63 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)O PI-25084 [0,1,0,0,0,0|0,1,0]=2 64 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)F PI-18694 [0,1,0,0,0,0|1,0,0]=2 65 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)N PI-18543 [0,1,0,0,0,0|1,0,0]=2 66 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)O PI-25690 [0,1,0,0,0,0|0,1,0]=2 67 B13R2.32 C1=CC=C2C(=C1)C=CC(=O)C2=O PI-25638 [0,1,0,0,0,0|0,1,0]=2 68 B13R2.32 C1=CC=C2C(=C1)C=NC(=C2O)Cl PI-44810 [0,1,0,0,0,0|2,0,0]=3 69 B13R2.32 C1=CC=C2C(=C1)C=NC(=C2O)Cl PI-44835 [0,1,0,0,0,0|2,0,0]=3 70 B13R2.32 C1=CNC2=C(C(=O)C=CC2=C1)Cl PI-44809 [0,1,0,0,0,0|1,1,0]=3 71 B13R2.32 C1=CNC2=CC=C(C(=O)C2=C1)Cl PI-44805 [0,1,0,0,0,0|2,0,0]=3 72 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)Br PI-11689 [0,1,0,0,0,0|1,0,0]=2 73 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)O PI-18875 [0,1,0,0,0,0|1,0,0]=2 74 B13R2.32 CC1=[N+](C2=CC=CC=C2C=C1)[O-] PI-42564 [0,1,0,0,0,0|2,0,0]=3 75 B13R2.32 Cc1ccc2ccccc2c1C PI-25689 [0,1,0,0,0,0|1,0,0]=2 76 B13R2.32 Cc1ccc2ccccc2c1N PI-18358 [0,1,0,0,0,0|1,0,0]=2 77 B13R2.32 NC1=CC=C2N=CC=NC2=C1Br PI-33790 [0,1,0,0,0,0|3,0,0]=4 78 B13R2.32 OC1=C(Br)C=CC2=C1C=CC=C2 PI-39181 [0,1,0,0,0,0|1,0,0]=2 79 B13R2.32 Oc1ccc2c(c1Br)cccc2 PI-25688 [0,1,0,0,0,0|0,1,0]=2 80 B13R2.57 BrCc1ccc2ccccc2c1 PI-11811 [0,1,0,0,0,0|1,0,0]=2 81 B13R2.57 BrCc1ccc2ccccc2n1 PI-36507 [0,1,0,0,0,0|2,0,0]=3 82 B13R2.57 C1=C(C=CC2=NC=CC=C12)CO PI-31801 [0,1,0,0,0,0|1,1,0]=3 83 B13R2.57 C1=CC=C2C(=C1)C=C(C=N2)C=O PI-29125 [0,1,0,0,0,0|1,1,0]=3 84 B13R2.57 C1=CC=C2C(=C1)C=CC(=N2)CO PI-29257 [0,1,0,0,0,0|1,1,0]=3 85 B13R2.57 C1=CC=C2C=C(C=CC2=C1)C#N PI-18756 [0,1,0,0,0,0|1,0,0]=2 86 B13R2.57 C1=CC=C2C=C(C=CC2=C1)NN PI-33898 [0,1,0,0,0,0|1,0,0]=2 87 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 PI-25858 [0,1,0,0,0,0|1,0,0]=2 88 B13R2.57 CCC1=CC2=CC=CC=C2C=C1 PI-25977 [0,1,0,0,0,0|1,0,0]=2 89 B13R2.57 CCC1=CC2=CC=CC=C2N=C1 PI-33334 [0,1,0,0,0,0|2,0,0]=3 90 B13R2.57 COC1=CC2=C(C=C1)C=NC=C2 PI-34185 [0,1,0,0,0,0|1,1,0]=3 91 B13R2.57 COc1ccc2ncccc2c1 PI-31218 [0,1,0,0,0,0|1,1,0]=3 92 B13R2.57 CSC1=CC2=CC=CC=C2C=C1 PI-18873 [0,1,0,0,0,0|0,0,0]=1 93 B13R2.57 ClCc1ccc2c(c1)cccc2 PI-18399 [0,1,0,0,0,0|1,0,0]=2 94 B13R2.57 N#Cc1cnc2c(c1)cccc2 PI-11109 [0,1,0,0,0,0|2,0,0]=3 95 B13R2.57 N#Cc1ncc2c(c1)cccc2 PI-17473 [0,1,0,0,0,0|2,0,0]=3 96 B13R2.57 NNc1ccc2ccccc2n1 PI-20725 [0,1,0,0,0,0|2,0,0]=3 97 B13R2.57 O=Cc1ccc2c(c1)cccc2 PI-11868 [0,1,0,0,0,0|0,1,0]=2 98 B13R2.57 O=Cc1ccc2c(n1)cccc2 PI-11880 [0,1,0,0,0,0|1,1,0]=3 99 B13R2.57 O=Cc1ccc2ncccc2c1 PI-32941 [0,1,0,0,0,0|1,1,0]=3 100 B13R2.57 OCc1ccc2ccccc2c1 PI-11869 [0,1,0,0,0,0|0,1,0]=2 101 B13R2.57 [C-]#[N+]C1=CC=C2C=CC=CC2=C1 PI-36483 [0,1,0,0,0,0|1,0,0]=2 102 B13R2.155 BrC1=CC2=CC(=CC=C2C=C1)Br PI-40219 [0,1,0,0,0,0|1,0,0]=2 103 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)Br)O PI-39114 [0,1,0,0,0,0|0,1,0]=2 104 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)O)O PI-32100 [0,1,0,0,0,0|0,1,0]=2 105 B13R2.155 C1=CC(=CC2=C1C=CC(=N2)Cl)Br PI-48167 [0,1,0,0,0,0|2,0,0]=3 106 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O PI-10445 [0,1,0,0,0,0|1,1,0]=3 107 B13R2.155 C1=CC(=NC2=C1C=CC(=N2)Cl)Cl PI-48721 [0,1,0,0,0,0|3,0,0]=4 108 B13R2.155 C1=CC2=NC=C(C=C2C=C1Br)O PI-45733 [0,1,0,0,0,0|1,1,0]=3 109 B13R2.155 CC1=CC2=C(C=C1)C=CC(=N2)C PI-29979 [0,1,0,0,0,0|2,0,0]=3 110 B13R2.155 CC1=NC2=CC(F)=CC=C2C=C1 PI-28060 [0,1,0,0,0,0|2,0,0]=3 111 B13R2.155 Cc1ccc2c(c1)cc(cc2)C PI-23889 [0,1,0,0,0,0|1,0,0]=2 112 B13R2.155 Oc1ccc2ccc(O)nc2c1 PI-13540 [0,1,0,0,0,0|1,1,0]=3 113 B13R2.155 SC1=CC=C2C=CC(S)=CC2=C1 PI-18854 [0,1,0,0,0,0|0,0,0]=1 114 B13R2.162 Brc1ccc2c(c1)c(Cl)ncc2 PI-17772 [0,1,0,0,0,0|2,0,0]=3 115 B13R2.162 Brc1ccc2c(c1)c(O)ccn2 PI-31576 [0,1,0,0,0,0|2,0,0]=3 116 B13R2.162 Brc1ccc2ncnc(Cl)c2c1 PI-34853 [0,1,0,0,0,0|3,0,0]=4 117 B13R2.162 C1=C2C(=NC(=C1)C)C(=CC=C2)O PI-33671 [0,1,0,0,0,0|2,0,0]=3 118 B13R2.162 C1=CC(=CC2=C1C=CNC2=O)Br PI-17773 [0,1,0,0,0,0|2,0,0]=3 119 B13R2.162 C1=CC(=CC2=C1C=CNC2=O)Cl PI-17775 [0,1,0,0,0,0|2,0,0]=3 120 B13R2.162 C1=CC2=C(C(=C1)O)N=C(C=C2)N PI-24571 [0,1,0,0,0,0|2,0,0]=3 121 B13R2.162 C1=CC2=C(C(=C1)O)NC(=O)C=C2 PI-28179 [0,1,0,0,0,0|1,1,0]=3 122 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)Br PI-45478 [0,1,0,0,0,0|0,1,0]=2 123 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)O PI-11684 [0,1,0,0,0,0|0,1,0]=2 124 B13R2.162 C1=CC2=C(C=C1Br)C(=O)C=CO2 PI-15388 [0,1,0,0,0,0|2,0,0]=3 125 B13R2.162 C1=CC2=C(C=C1F)C(=O)C=CN2 PI-23595 [0,1,0,0,0,0|2,0,0]=3 126 B13R2.162 C1=CC2=C(C=C1I)C(=NC=N2)Cl PI-44355 [0,1,0,0,0,0|3,0,0]=4 127 B13R2.162 C1=CC2=CC=CC(=C2N=C1C)N PI-29287 [0,1,0,0,0,0|2,0,0]=3 128 B13R2.162 C1=CC2=NC=CC(=C2C=C1Br)Cl PI-46542 [0,1,0,0,0,0|2,0,0]=3 129 B13R2.162 CC1=C2C(=CC=C1)C=CC(=N2)C PI-11772 [0,1,0,0,0,0|2,0,0]=3 130 B13R2.162 CC1=C2C=C(C=CC2=CC=C1)O PI-49019 [0,1,0,0,0,0|0,1,0]=2 131 B13R2.162 CC1=CC2=C(C=CC=C2C=C1)C PI-18703 [0,1,0,0,0,0|1,0,0]=2 132 B13R2.162 CC1=NC2=C(C=CC=C2Cl)C=C1 PI-16458 [0,1,0,0,0,0|2,0,0]=3 133 B13R2.162 Cc1ccc2cccc(Br)c2n1 PI-36505 [0,1,0,0,0,0|2,0,0]=3 134 B13R2.162 ClC1=CC2=C(Cl)N=CN=C2C=C1 PI-46769 [0,1,0,0,0,0|3,0,0]=4 135 B13R2.162 Clc1ccc2c(c1)c(O)ccn2 PI-31575 [0,1,0,0,0,0|2,0,0]=3 136 B13R2.162 Clc1ccc2occc(=O)c2c1 PI-15387 [0,1,0,0,0,0|2,0,0]=3 137 B13R2.162 Fc1ccc2c(c1)c(Cl)ccn2 PI-20115 [0,1,0,0,0,0|2,0,0]=3 138 B13R2.162 Ic1ccc2c(c1)c(=O)[nH]cn2 PI-39301 [0,1,0,0,0,0|3,0,0]=4 139 B13R2.162 OC1=CC=C2C=CC=C(N)C2=C1 PI-25075 [0,1,0,0,0,0|0,1,0]=2 140 B13R2.328 C1=CC2=C(N=C(C=C2N=C1)Cl)Cl PI-48024 [0,1,0,0,0,0|3,0,0]=4 141 B13R2.328 C1=CC=C2C(=C1)C(=CC(=N2)Cl)Cl PI-29861 [0,1,0,0,0,0|2,0,0]=3 142 B13R2.328 C1=CC=C2C(=C1)C(=CC(=O)N2)[O-] PI-29605 [0,1,0,0,0,0|1,1,0]=3 143 B13R2.328 C1=CC=C2C(=C1)C(=O)C=C(N2)N PI-29594 [0,1,0,0,0,0|2,0,0]=3 144 B13R2.328 C1=CC=C2C(=C1)C(=O)NC(=S)N2 PI-29128 [0,1,0,0,0,0|2,0,1]=4 145 B13R2.328 C1C2=CC=CC=C2C(=O)NC1=O PI-40295 [0,1,0,0,0,0|1,1,1]=4 146 B13R2.328 CC1=CC(=NC2=CC=CC=C12)C PI-11755 [0,1,0,0,0,0|2,0,0]=3 147 B13R2.328 CC1=CC(=NC2=CC=CC=C12)Cl PI-10849 [0,1,0,0,0,0|2,0,0]=3 148 B13R2.328 CC1=CC2=CC=CC=C2[N+](=C1)[O-] PI-29281 [0,1,0,0,0,0|2,0,0]=3 149 B13R2.328 CC1=NC2=CC=CC=C2C(=O)O1 PI-26707 [0,1,0,0,0,0|3,0,0]=4 150 B13R2.328 Cc1cc(N)c2ccccc2n1 PI-17561 [0,1,0,0,0,0|2,0,0]=3 151 B13R2.328 Cc1cc(O)c2c(n1)cccc2 PI-29750 [0,1,0,0,0,0|2,0,0]=3 152 B13R2.328 Cc1cc2ccccc2c(c1)C PI-25697 [0,1,0,0,0,0|1,0,0]=2 153 B13R2.328 Clc1cc2ccccc2c(n1)Cl PI-31690 [0,1,0,0,0,0|2,0,0]=3 154 B13R2.328 Nc1cc2ccccc2c(Br)n1 PI-29111 [0,1,0,0,0,0|2,0,0]=3 155 B13R2.328 O=C1OC(=O)c2c(C1)cccc2 PI-16185 [0,1,0,0,0,0|1,1,1]=4 156 B13R2.328 O=c1cc(O)c2ccccc2o1 PI-31737 [0,1,0,0,0,0|1,1,0]=3 157 B13R2.328 OC1=CC2=NC=CC=C2C(O)=N1 PI-40520 [0,1,0,0,0,0|2,1,0]=4 158 B13R2.328 Oc1cc(C)c2c(n1)cccc2 PI-10848 [0,1,0,0,0,0|1,1,0]=3 159 B13R2.328 Oc1cc(O)c2c(n1)cccc2 PI-16408 [0,1,0,0,0,0|1,1,0]=3 160 B13R2.328 Oc1cc2ccccc2c(c1)O PI-25115 [0,1,0,0,0,0|0,1,0]=2 161 B13R2.369 C1=CC=C2C(=C1)C=C(C(=N2)Br)Br PI-50065 [0,1,0,0,0,0|2,0,0]=3 162 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)Br)Br PI-18146 [0,1,0,0,0,0|1,0,0]=2 163 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)N)O PI-25656 [0,1,0,0,0,0|0,1,0]=2 164 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl PI-29715 [0,1,0,0,0,0|2,0,0]=3 165 B13R2.369 Cc1cc2ccccc2cc1C PI-25704 [0,1,0,0,0,0|1,0,0]=2 166 B13R2.369 NC1=C(C)N=C2C=CC=CC2=C1 PI-46688 [0,1,0,0,0,0|2,0,0]=3 167 B13R2.369 Nc1cc2ccccc2cc1N PI-25833 [0,1,0,0,0,0|1,0,0]=2 168 B13R2.369 O=c1oc2ccccc2cc1N PI-17434 [0,1,0,0,0,0|1,1,0]=3 169 B13R2.369 Oc1cc2ccccc2cc1O PI-32469 [0,1,0,0,0,0|0,1,0]=2 170 B13R2.3683 BrC1=CC2=CC=C(Br)C=C2C=C1 PI-37059 [0,1,0,0,0,0|1,0,0]=2 171 B13R2.3683 Brc1ccc2c(c1)cnc(n2)Cl PI-34844 [0,1,0,0,0,0|3,0,0]=4 172 B13R2.3683 Brc1ccc2c(c1)cnc(n2)N PI-34644 [0,1,0,0,0,0|3,0,0]=4 173 B13R2.3683 C1=CC(=NC2=NC=C(C=C21)Br)N PI-50073 [0,1,0,0,0,0|3,0,0]=4 174 B13R2.3683 C1=CC2=C(C=CC(=C2)Cl)C=C1O PI-36575 [0,1,0,0,0,0|0,1,0]=2 175 B13R2.3683 C1=CC2=C(C=CC(=N2)Cl)C=C1Br PI-25270 [0,1,0,0,0,0|2,0,0]=3 176 B13R2.3683 C1=CC2=C(C=CC(=O)N2)C=C1Br PI-35473 [0,1,0,0,0,0|1,1,0]=3 177 B13R2.3683 CC1=CC2=C(C=C1)N=C(C=C2)Br PI-35456 [0,1,0,0,0,0|2,0,0]=3 178 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)Cl PI-29974 [0,1,0,0,0,0|2,0,0]=3 179 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N PI-30830 [0,1,0,0,0,0|2,0,0]=3 180 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)O PI-29761 [0,1,0,0,0,0|1,1,0]=3 181 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 PI-36976 [0,1,0,0,0,0|1,1,0]=3 182 B13R2.3683 Cc1ccc2cc(Br)ccc2n1 PI-14483 [0,1,0,0,0,0|2,0,0]=3 183 B13R2.3683 Cc1ccc2nc(C)ccc2c1 PI-11770 [0,1,0,0,0,0|2,0,0]=3 184 B13R2.3683 Clc1ccc2c(c1)ccc(c2)Cl PI-16536 [0,1,0,0,0,0|1,0,0]=2 185 B13R2.3683 Clc1ccc2c(c1)ncc(n2)Cl PI-11765 [0,1,0,0,0,0|3,0,0]=4 186 B13R2.3683 Fc1ccc2nc(C)ccc2c1 PI-28059 [0,1,0,0,0,0|2,0,0]=3 187 B13R2.3683 Oc1ccc2c(c1)ccc(=O)o2 PI-10446 [0,1,0,0,0,0|1,1,0]=3 188 B13R2.3683 Oc1ccc2c(c1)ccc(n2)Cl PI-39000 [0,1,0,0,0,0|1,1,0]=3 189 B13R2.3683 Oc1ccc2c(c1)ccc(n2)O PI-38999 [0,1,0,0,0,0|1,1,0]=3 190 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 PI-12042 [0,1,0,0,0,0|0,1,0]=2 191 B13R2.3683 Oc1ccc2cc(O)ccc2c1 PI-10866 [0,1,0,0,0,0|0,1,0]=2 192 B13R2.5179 BrC1=CC=C2C(=NC=CC2=C1)N PI-39738 [0,1,0,0,0,0|2,0,0]=3 193 B13R2.5179 BrC1=CC=C2C(=O)C=COC2=C1 PI-41814 [0,1,0,0,0,0|2,0,0]=3 194 B13R2.5179 BrC1=CC=C2C(NC=CC2=C1)=O PI-39739 [0,1,0,0,0,0|2,0,0]=3 195 B13R2.5179 Brc1ccc2c(Cl)ncnc2c1 PI-36126 [0,1,0,0,0,0|3,0,0]=4 196 B13R2.5179 Brc1ccc2c(c1)cn[nH]c2=O PI-36953 [0,1,0,0,0,0|3,0,0]=4 197 B13R2.5179 Brc1ccc2c(nc[nH]c2=O)c1 PI-36125 [0,1,0,0,0,0|3,0,0]=4 198 B13R2.5179 C1=CC2=C(C=C1F)NC=CC2=O PI-29545 [0,1,0,0,0,0|2,0,0]=3 199 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)O PI-32101 [0,1,0,0,0,0|0,1,0]=2 200 B13R2.5179 C1=CC2=C(C=CNC2=O)C=C1F PI-48266 [0,1,0,0,0,0|2,0,0]=3 201 B13R2.5179 C1=CC2=CC(=CN=C2C(=C1)F)I PI-48867 [0,1,0,0,0,0|2,0,0]=3 202 B13R2.5179 C1=CC2=CC(=CN=C2C(=C1)N)Br PI-48534 [0,1,0,0,0,0|2,0,0]=3 203 B13R2.5179 CC1=CC2=C(C=C1)C(=NC=C2)Cl PI-34194 [0,1,0,0,0,0|2,0,0]=3 204 B13R2.5179 CC1=CC2=C(C=C1)C(=NC=C2)N PI-34195 [0,1,0,0,0,0|2,0,0]=3 205 B13R2.5179 CC1=CC2=CC=CC(=C2C=C1)C PI-25698 [0,1,0,0,0,0|1,0,0]=2 206 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 PI-37296 [0,1,0,0,0,0|2,0,0]=3 207 B13R2.5179 CC1=NC2=C(C=C1)C(=CC=C2)Cl PI-33672 [0,1,0,0,0,0|2,0,0]=3 208 B13R2.5179 ClC1=C2C=CC(Br)=CC2=NC=C1 PI-46698 [0,1,0,0,0,0|2,0,0]=3 209 B13R2.5179 Clc1ccc2c(c1)nccc2Cl PI-16432 [0,1,0,0,0,0|2,0,0]=3 210 B13R2.5179 Clc1ccc2c(c1)nccc2O PI-32129 [0,1,0,0,0,0|2,0,0]=3 211 B13R2.5179 Clc1ccc2c(ncnc2Cl)c1 PI-36120 [0,1,0,0,0,0|3,0,0]=4 212 B13R2.5179 Fc1ccc2c(Cl)ncnc2c1 PI-36119 [0,1,0,0,0,0|3,0,0]=4 213 B13R2.5179 Fc1ccc2c(nc[nH]c2=O)c1 PI-36118 [0,1,0,0,0,0|3,0,0]=4 214 B13R2.5179 Ic1ccc2c(nc[nH]c2=O)c1 PI-36229 [0,1,0,0,0,0|3,0,0]=4 215 B13R2.5179 NC1=C2C=CC(Br)=CC2=NC=N1 PI-46815 [0,1,0,0,0,0|3,0,0]=4 216 B13R2.5179 Nc1ccc2c(O)cccc2c1 PI-18377 [0,1,0,0,0,0|1,0,0]=2 217 B13R2.5179 O=C1C=CNC2=C1C=CC(C)=C2 PI-46705 [0,1,0,0,0,0|2,0,0]=3 218 B13R2.5179 Oc1ccc2c(c1)cccc2N PI-18951 [0,1,0,0,0,0|0,1,0]=2 219 B11R1.1 C1=CC(=CC=C1C=CC#N)F PI-23561 [0,0,1,0,0,0|2,0,1]=4 220 B11R1.1 C1=CC(=CC=C1\C=C\C=O)Br PI-46501 [0,0,1,0,0,0|2,0,0]=3 221 B11R1.1 C1=CC(=CC=C1\C=C\C=O)F PI-46524 [0,0,1,0,0,0|2,0,0]=3 222 B11R1.1 C=CCOC1=CC=C(C=C1)Cl PI-30132 [0,0,1,0,0,0|2,0,1]=4 223 B11R1.1 CC1=CC=C(C=C1)CCC=C PI-50176 [0,0,1,0,0,0|1,0,2]=4 224 B11R1.1 O=C\C=C/c1ccc(F)cc1 PI-32827 [0,0,1,0,0,0|2,0,0]=3 225 B11R1.17 C1=CC=C(C(=C1)\C=C\C=O)Br PI-46499 [0,0,1,0,0,0|1,1,0]=3 226 B11R1.17 C1=CC=C(C(=C1)\C=C\C=O)F PI-46537 [0,0,1,0,0,0|1,1,0]=3 227 B11R1.24 C1=CC(=CC(=C1)Br)\C=C\C=O PI-46500 [0,0,1,0,0,0|2,0,0]=3 228 B11R1.24 C1=CC(=CC(=C1)Cl)\C=C\C=O PI-46546 [0,0,1,0,0,0|2,0,0]=3 229 B11R1.24 O=C\C=C\C1=CC=CC(F)=C1 PI-46535 [0,0,1,0,0,0|2,0,0]=3 230 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br PI-12957 [0,0,1,0,0,0|2,0,0]=3 231 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [0,0,1,0,0,0|1,1,0]=3 232 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] PI-12955 [0,0,1,0,0,0|1,1,0]=3 233 B11R1.91 NC(=O)\C=C\c1ccccc1 PI-30792 [0,0,1,0,0,0|1,1,0]=3 234 B11R1.91 OB(\C=C\c1ccccc1)O PI-25014 [0,0,1,0,0,0|2,1,0]=4 235 B11R1.91 OC(=O)\C=C\c1ccccn1 PI-28790 [0,0,1,0,0,0|2,1,0]=4 236 B11R1.91 OC(=O)\C=C\c1cccnc1 PI-28055 [0,0,1,0,0,0|2,1,0]=4 237 B11R1.91 OC(=O)\C=C\c1ccncc1 PI-31341 [0,0,1,0,0,0|2,1,0]=4 238 B11R1.91 [O-][N+](=O)\C=C\c1ccccc1 PI-36903 [0,0,1,0,0,0|2,1,0]=4 239 B11R2.1 BrC1=CSC2=NC=CC=C21 PI-46726 [0,0,0,0,1,0|3,0,0]=4 240 B11R2.1 C1=CC2=C(NC=C2Br)N=C1 PI-41228 [0,0,0,0,1,0|3,0,0]=4 241 B11R2.1 C1=CC2=C(NC=C2Cl)N=C1 PI-42708 [0,0,0,0,1,0|3,0,0]=4 242 B11R2.1 C1=CC2=C(NN=C2C=C1)Br PI-34805 [0,0,0,0,1,0|3,0,0]=4 243 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [0,0,0,0,1,0|2,0,0]=3 244 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br PI-17445 [0,0,0,0,1,0|2,0,0]=3 245 B11R2.1 C1=CC=C2C(=C1)C(=CS2)Br PI-14249 [0,0,0,0,1,0|2,0,0]=3 246 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [0,0,0,0,1,0|1,1,0]=3 247 B11R2.1 C1=CC=C2C(=C1)C(=NO2)N PI-14154 [0,0,0,0,1,0|3,0,0]=4 248 B11R2.1 C1=CC=C2C(=C1)C(=NS2)Cl PI-12200 [0,0,0,0,1,0|3,0,0]=4 249 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 PI-11536 [0,0,0,0,1,0|2,1,0]=4 250 B11R2.1 C1=CC=C2C(=C1)C=CS2=O PI-14312 [0,0,0,0,1,0|1,1,0]=3 251 B11R2.1 C1=CC=C2C(=C1)C=NN2N PI-44096 [0,0,0,0,1,0|3,0,0]=4 252 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [0,0,0,0,1,0|1,1,1]=4 253 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [0,0,0,0,1,0|1,1,1]=4 254 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [0,0,0,0,1,0|0,1,2]=4 255 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [0,0,0,0,1,0|2,0,0]=3 256 B11R2.1 CN1C=NC2=CC=CC=C21 PI-11703 [0,0,0,0,1,0|3,0,0]=4 257 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [0,0,0,0,1,0|2,0,0]=3 258 B11R2.1 ClC1=CNC2=C1C=NC=C2 PI-36987 [0,0,0,0,1,0|3,0,0]=4 259 B11R2.1 ClC1=NOC2=C1C=CC=C2 PI-15670 [0,0,0,0,1,0|3,0,0]=4 260 B11R2.1 Cn1ccc2ccccc12 PI-11080 [0,0,0,0,1,0|2,0,0]=3 261 B11R2.1 NC1=CNC2=C1C=NC=C2 PI-36984 [0,0,0,0,1,0|3,0,0]=4 262 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [0,0,0,0,1,0|1,1,1]=4 263 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [0,0,0,0,1,0|1,1,1]=4 264 B11R2.1 O=C1SSC2=CC=CC=C12 PI-41753 [0,0,0,0,1,0|2,1,0]=4 265 B11R2.10 C1=CC=C2C(=C1)C=C(O2)Br PI-45424 [0,0,0,0,1,0|2,0,0]=3 266 B11R2.10 C1=CC=C2C(=C1)C=C(S2)Br PI-40410 [0,0,0,0,1,0|2,0,0]=3 267 B11R2.10 C1=CC=C2C(=C1)N=C(S2)Cl PI-15671 [0,0,0,0,1,0|3,0,0]=4 268 B11R2.10 C1=CC=C2C(=C1)N=C(S2)F PI-23463 [0,0,0,0,1,0|3,0,0]=4 269 B11R2.10 C1=CC=C2C(=C1)N=C(S2)N PI-45314 [0,0,0,0,1,0|3,0,0]=4 270 B11R2.10 C1=CC=C2C(=C1)NC(=S)N2 PI-13021 [0,0,0,0,1,0|2,0,1]=4 271 B11R2.10 C1=CC=C2C(=C1)NC(=S)O2 PI-32430 [0,0,0,0,1,0|2,0,1]=4 272 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [0,0,0,0,1,0|0,1,2]=4 273 B11R2.10 C1C2=CC=CC=C2C=C1Br PI-24035 [0,0,0,0,1,0|1,0,1]=3 274 B11R2.10 CC1=CC2=CC=CC=C2C1 PI-30321 [0,0,0,0,1,0|1,0,1]=3 275 B11R2.10 CC1=CC2=CC=CC=C2N1 PI-31662 [0,0,0,0,1,0|2,0,0]=3 276 B11R2.10 CC1=CC2=CC=CC=C2S1 PI-29081 [0,0,0,0,1,0|2,0,0]=3 277 B11R2.10 CC1=NC2=CC=CC=C2N1 PI-11865 [0,0,0,0,1,0|3,0,0]=4 278 B11R2.10 CC1=NC2=CC=CC=C2O1 PI-11866 [0,0,0,0,1,0|3,0,0]=4 279 B11R2.10 Clc1nc2c([nH]1)cccc2 PI-31005 [0,0,0,0,1,0|3,0,0]=4 280 B11R2.10 Clc1nc2ccccc2o1 PI-33937 [0,0,0,0,1,0|3,0,0]=4 281 B11R2.10 Ic1cc2c(s1)cccc2 PI-38228 [0,0,0,0,1,0|2,0,0]=3 282 B11R2.10 Nc1nc2c(s1)cccc2 PI-31667 [0,0,0,0,1,0|3,0,0]=4 283 B11R2.10 Nc1nc2ccccc2[nH]1 PI-31350 [0,0,0,0,1,0|3,0,0]=4 284 B11R2.10 Nc1nc2ccccc2o1 PI-17283 [0,0,0,0,1,0|3,0,0]=4 285 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [0,0,0,0,1,0|1,1,1]=4 286 B11R2.10 O=C1Cc2ccccc2O1 PI-18682 [0,0,0,0,1,0|1,1,1]=4 287 B11R2.10 O=c1oc2ccccc2[nH]1 PI-11480 [0,0,0,0,1,0|2,1,0]=4 288 B11R2.10 O=c1sc2ccccc2[nH]1 PI-12052 [0,0,0,0,1,0|2,1,0]=4 289 B11R2.10 Oc1nc2ccccc2[nH]1 PI-16421 [0,0,0,0,1,0|2,1,0]=4 290 B11R2.10 Sc1nc2c(s1)cccc2 PI-33935 [0,0,0,0,1,0|2,0,0]=3 291 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 PI-41012 [0,0,0,0,1,0|3,0,0]=4 292 B11R2.36 BrC1=CC2=C(C=CS2)C=C1 PI-39747 [0,0,0,0,1,0|2,0,0]=3 293 B11R2.36 BrC1=CC=C2N=CSC2=C1 PI-41013 [0,0,0,0,1,0|3,0,0]=4 294 B11R2.36 Brc1ccc2[nH]ccc2c1 PI-20323 [0,0,0,0,1,0|2,0,0]=3 295 B11R2.36 Brc1ccc2c(c1)[nH]cc2 PI-10006 [0,0,0,0,1,0|2,0,0]=3 296 B11R2.36 Brc1ccc2c(c1)ccs2 PI-29626 [0,0,0,0,1,0|2,0,0]=3 297 B11R2.36 Brc1ccc2n(c1)ccn2 PI-32331 [0,0,0,0,1,0|3,0,0]=4 298 B11R2.36 Brc1ccn2c(c1)ccn2 PI-39434 [0,0,0,0,1,0|3,0,0]=4 299 B11R2.36 Brc1ccn2ccnc2c1 PI-36050 [0,0,0,0,1,0|3,0,0]=4 300 B11R2.36 Brc1cnc2c(c1)[nH]cc2 PI-39081 [0,0,0,0,1,0|3,0,0]=4 301 B11R2.36 Brc1cnc2c(c1)cc[nH]2 PI-38022 [0,0,0,0,1,0|3,0,0]=4 302 B11R2.36 Brc1ncc2c(c1)[nH]cc2 PI-39092 [0,0,0,0,1,0|3,0,0]=4 303 B11R2.36 C1=C2C(=CC=C1C)[NH]C=C2 PI-10262 [0,0,0,0,1,0|2,0,0]=3 304 B11R2.36 C1=CC(=CC2=C1C=CN2)F PI-10018 [0,0,0,0,1,0|2,0,0]=3 305 B11R2.36 C1=CC(=CC2=C1C=CN2)N PI-16826 [0,0,0,0,1,0|2,0,0]=3 306 B11R2.36 C1=CC(=CC2=C1N=CS2)N PI-41014 [0,0,0,0,1,0|3,0,0]=4 307 B11R2.36 C1=CC2=C(C=C1Br)C=NN2 PI-34641 [0,0,0,0,1,0|3,0,0]=4 308 B11R2.36 C1=CC2=C(C=C1Br)NC=N2 PI-44962 [0,0,0,0,1,0|3,0,0]=4 309 B11R2.36 C1=CC2=C(C=C1Br)NN=C2 PI-33950 [0,0,0,0,1,0|3,0,0]=4 310 B11R2.36 C1=CC2=C(C=C1Cl)C=NN2 PI-34938 [0,0,0,0,1,0|3,0,0]=4 311 B11R2.36 C1=CC2=C(C=C1Cl)N=CO2 PI-12027 [0,0,0,0,1,0|3,0,0]=4 312 B11R2.36 C1=CC2=C(C=C1Cl)N=CS2 PI-45363 [0,0,0,0,1,0|3,0,0]=4 313 B11R2.36 C1=CC2=C(C=C1Cl)NN=C2 PI-34962 [0,0,0,0,1,0|3,0,0]=4 314 B11R2.36 C1=CC2=C(C=C1F)C=NN2 PI-34939 [0,0,0,0,1,0|3,0,0]=4 315 B11R2.36 C1=CC2=C(C=C1F)N=CS2 PI-45368 [0,0,0,0,1,0|3,0,0]=4 316 B11R2.36 C1=CC2=C(C=C1F)NC=N2 PI-45215 [0,0,0,0,1,0|3,0,0]=4 317 B11R2.36 C1=CC2=C(C=C1F)NN=C2 PI-34959 [0,0,0,0,1,0|3,0,0]=4 318 B11R2.36 C1=CC2=C(C=C1F)SC=N2 PI-45369 [0,0,0,0,1,0|3,0,0]=4 319 B11R2.36 C1=CC2=C(C=C1N)C=NN2 PI-17683 [0,0,0,0,1,0|3,0,0]=4 320 B11R2.36 C1=CC2=C(C=C1N)N=CS2 PI-40961 [0,0,0,0,1,0|3,0,0]=4 321 B11R2.36 C1=CC2=C(C=C1N)NC=N2 PI-34794 [0,0,0,0,1,0|3,0,0]=4 322 B11R2.36 C1=CC2=C(C=C1N)NC=N2 PI-45761 [0,0,0,0,1,0|3,0,0]=4 323 B11R2.36 C1=CC2=C(C=C1O)C=NN2 PI-44936 [0,0,0,0,1,0|2,1,0]=4 324 B11R2.36 C1=CC2=C(C=C1O)NN=C2 PI-45210 [0,0,0,0,1,0|2,1,0]=4 325 B11R2.36 C1=CC2=C(C=CN2)C=C1F PI-10017 [0,0,0,0,1,0|2,0,0]=3 326 B11R2.36 C1=CC2=C(C=CO2)C=C1Br PI-19337 [0,0,0,0,1,0|2,0,0]=3 327 B11R2.36 C1=CC2=C(C=CS2)C=C1Cl PI-14313 [0,0,0,0,1,0|2,0,0]=3 328 B11R2.36 C1=CC2=C(C=CS2)C=C1N PI-29314 [0,0,0,0,1,0|2,0,0]=3 329 B11R2.36 CC1=CC2=C(C=C1)N=CN2 PI-29770 [0,0,0,0,1,0|3,0,0]=4 330 B11R2.36 CC1=CC2=C(C=C1)N=CS2 PI-45360 [0,0,0,0,1,0|3,0,0]=4 331 B11R2.36 CC1=CC2=C(C=C1)OC=N2 PI-10825 [0,0,0,0,1,0|3,0,0]=4 332 B11R2.36 CC1=CC2=C(C=N1)C=CN2 PI-36829 [0,0,0,0,1,0|3,0,0]=4 333 B11R2.36 CC1=CC=C2SC=CC2=C1 PI-14225 [0,0,0,0,1,0|2,0,0]=3 334 B11R2.36 CC1=CC=C2[NH]N=CC2=C1 PI-41809 [0,0,0,0,1,0|3,0,0]=4 335 B11R2.36 Cc1ccc2c(c1)[nH]cc2 PI-16265 [0,0,0,0,1,0|2,0,0]=3 336 B11R2.36 ClC1=CC2=C(C=C1)C=CN2 PI-20431 [0,0,0,0,1,0|2,0,0]=3 337 B11R2.36 ClC1=CC2=C(NC=C2)C=N1 PI-46749 [0,0,0,0,1,0|3,0,0]=4 338 B11R2.36 Clc1ccc2c(c1)cc[nH]2 PI-10008 [0,0,0,0,1,0|2,0,0]=3 339 B11R2.36 Clc1ccc2c(n1)cc[nH]2 PI-34768 [0,0,0,0,1,0|3,0,0]=4 340 B11R2.36 Clc1cnc2c(c1)cc[nH]2 PI-38968 [0,0,0,0,1,0|3,0,0]=4 341 B11R2.36 Clc1ncc2c(c1)[nH]cc2 PI-36950 [0,0,0,0,1,0|3,0,0]=4 342 B11R2.36 IC1=CC=C2[NH]N=CC2=C1 PI-34940 [0,0,0,0,1,0|3,0,0]=4 343 B11R2.36 Ic1ccc2[nH]ccc2c1 PI-29169 [0,0,0,0,1,0|2,0,0]=3 344 B11R2.36 Ic1ccc2c(c1)[nH]nc2 PI-34958 [0,0,0,0,1,0|3,0,0]=4 345 B11R2.36 NC1=CC=C2OC=CC2=C1 PI-40038 [0,0,0,0,1,0|2,0,0]=3 346 B11R2.36 Nc1ccc2[nH]ccc2n1 PI-36572 [0,0,0,0,1,0|3,0,0]=4 347 B11R2.36 Nc1ccc2c(c1)[nH]nc2 PI-34961 [0,0,0,0,1,0|3,0,0]=4 348 B11R2.36 Nc1ccc2c(c1)cc[nH]2 PI-16447 [0,0,0,0,1,0|2,0,0]=3 349 B11R2.36 OC1=CC2=C(NC=C2)N=C1 PI-42397 [0,0,0,0,1,0|2,1,0]=4 350 B11R2.36 Oc1ccc2[nH]ccc2c1 PI-10314 [0,0,0,0,1,0|1,1,0]=3 351 B11R2.36 Oc1ccc2c(c1)ncs2 PI-39219 [0,0,0,0,1,0|2,1,0]=4 352 B11R2.36 Oc1ccc2cc[nH]c2c1 PI-16028 [0,0,0,0,1,0|1,1,0]=3 353 B11R2.36 Oc1ccc2nc[nH]c2c1 PI-36411 [0,0,0,0,1,0|2,1,0]=4 354 B11R2.36 SC1=CC=C2OCOC2=C1 PI-42647 [0,0,0,0,1,0|2,0,1]=4 355 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [1,0,1,0,0,0|1,0,1]=4 356 B10R1.17 C=CCOc1ccccc1 PI-36466 [1,0,1,0,0,0|1,0,1]=4 357 B10R1.17 N#C\C=C\c1ccccc1 PI-12934 [1,0,1,0,0,0|1,0,1]=4 358 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [1,0,1,0,0,0|1,0,1]=4 359 B10R1.20 O=Cc1ccccc1C=O PI-31254 [1,0,1,0,0,0|1,1,0]=4 360 B10R1.18 BrC(=Cc1ccccc1)Br PI-35682 [1,0,1,0,0,0|2,0,0]=4 361 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [1,0,1,0,0,0|1,0,1]=4 362 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)F PI-31203 [0,1,1,0,0,0|2,0,0]=4 363 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O PI-11519 [0,1,1,0,0,0|1,1,0]=4 364 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O PI-29472 [0,1,1,0,0,0|0,1,1]=4 365 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O PI-11523 [0,1,1,0,0,0|2,0,0]=4 366 B12R1.21 OC(=O)\C=C\c1ccc(N)cc1 PI-28305 [0,1,1,0,0,0|2,0,0]=4 367 B12R1.21 OC(=O)\C=C\c1ccc(cc1)Cl PI-11979 [0,1,1,0,0,0|2,0,0]=4 368 B12R1.21 OC(=O)\C=C\c1ccc(cc1)O PI-20417 [0,1,1,0,0,0|1,1,0]=4 369 B12R1.49 FC1=CC=C(CC(=O)C=C)C=C1 PI-36344 [0,1,1,0,0,0|1,0,1]=4 370 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)Cl)Cl PI-20015 [0,1,1,0,0,0|1,1,0]=4 371 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Cl PI-23702 [0,1,1,0,0,0|1,1,0]=4 372 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)F PI-31196 [0,1,1,0,0,0|1,1,0]=4 373 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O PI-11520 [0,1,1,0,0,0|1,1,0]=4 374 B12R1.125 OC(=O)\C=C\c1ccccc1C PI-11522 [0,1,1,0,0,0|0,1,1]=4 375 B12R1.1631 C1=CC(=C(C(=C1)F)C=CC=O)F PI-10639 [0,1,1,0,0,0|1,1,0]=4 376 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O PI-11920 [0,1,1,0,0,0|2,0,0]=4 377 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O PI-31202 [0,1,1,0,0,0|2,0,0]=4 378 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O PI-11521 [0,1,1,0,0,0|1,1,0]=4 379 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O PI-30448 [0,1,1,0,0,0|2,0,0]=4 380 B12R1.226 OC(=O)\C=C\c1cccc(c1)Br PI-20686 [0,1,1,0,0,0|2,0,0]=4 381 B12R1.43 C1=CC=C(C=C1)C=C(C(=O)O)F PI-25464 [0,1,1,0,0,0|2,0,0]=4 382 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)Cl PI-24345 [0,1,1,0,0,0|2,0,0]=4 383 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O PI-25085 [0,1,1,0,0,0|2,0,0]=4 384 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C PI-40378 [0,1,1,0,0,0|1,1,0]=4 385 B12R2.1081 Brc1cccc2ccccc12 PI-34202 [1,1,0,0,0,0|0,0,0]=2 386 B12R2.1081 Brc1ccnc2c1cccc2 PI-33930 [1,1,0,0,0,0|1,0,0]=3 387 B12R2.1081 C1=CC2=C(C(=C1)Br)N=CC=C2 PI-14517 [1,1,0,0,0,0|1,0,0]=3 388 B12R2.1081 C1=CC2=C(C(=C1)Cl)N=CC=C2 PI-29757 [1,1,0,0,0,0|1,0,0]=3 389 B12R2.1081 C1=CC2=C(C(=C1)O)N=CC=C2 PI-32036 [1,1,0,0,0,0|1,0,0]=3 390 B12R2.1081 C1=CC2=C(C(=C1)S)N=CC=C2 PI-12049 [1,1,0,0,0,0|1,0,0]=3 391 B12R2.1081 C1=CC2=C(C(=C1)[O-])N=CC=C2 PI-33667 [1,1,0,0,0,0|1,0,0]=3 392 B12R2.1081 C1=CC2=C(C(=C1)[O-])N=CC=C2 PI-37979 [1,1,0,0,0,0|1,0,0]=3 393 B12R2.1081 C1=CC2=C(C(=NC=C2)N)N=C1 PI-14582 [1,1,0,0,0,0|2,0,0]=4 394 B12R2.1081 C1=CC2=C(C=CC=N2)C(=C1)I PI-48538 [1,1,0,0,0,0|1,0,0]=3 395 B12R2.1081 C1=CC2=C(C=CN=C2)C(=C1)Cl PI-17702 [1,1,0,0,0,0|1,0,0]=3 396 B12R2.1081 C1=CC2=C(C=NC=C2)C(=C1)Br PI-14518 [1,1,0,0,0,0|1,0,0]=3 397 B12R2.1081 C1=CC2=NC=CN=C2C(=C1)Br PI-48535 [1,1,0,0,0,0|2,0,0]=4 398 B12R2.1081 C1=CC=C(C2=CC=CN=C12)Br PI-29629 [1,1,0,0,0,0|1,0,0]=3 399 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CN2 PI-16442 [1,1,0,0,0,0|1,0,0]=3 400 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CO2 PI-15386 [1,1,0,0,0,0|1,0,0]=3 401 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2S PI-18636 [1,1,0,0,0,0|0,0,0]=2 402 B12R2.1081 C1=CC=C2C(=C1)C=CC=[N+]2[O-] PI-29172 [1,1,0,0,0,0|1,0,0]=3 403 B12R2.1081 C1=CC=C2C(=C1)C=CC=[N+]2[O-] PI-29819 [1,1,0,0,0,0|1,0,0]=3 404 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2Br PI-16539 [1,1,0,0,0,0|1,0,0]=3 405 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2Cl PI-29294 [1,1,0,0,0,0|1,0,0]=3 406 B12R2.1081 C1=CC=C2C(=C1)C=NC=C2Br PI-11110 [1,1,0,0,0,0|1,0,0]=3 407 B12R2.1081 C1=CC=C2C(=C1)C=NC=C2F PI-42940 [1,1,0,0,0,0|1,0,0]=3 408 B12R2.1081 C1=CC=CC2=C1C(=O)NC=C2 PI-11697 [1,1,0,0,0,0|1,0,0]=3 409 B12R2.1081 C1=CN=CC2=CC=CC(=C12)Br PI-17691 [1,1,0,0,0,0|1,0,0]=3 410 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 PI-48532 [1,1,0,0,0,0|1,0,0]=3 411 B12R2.1081 Cc1ccnc2ccccc12 PI-16520 [1,1,0,0,0,0|1,0,0]=3 412 B12R2.1081 Cc1nccc2ccccc12 PI-29203 [1,1,0,0,0,0|1,0,0]=3 413 B12R2.1081 ClC1=C2C=CC=NC2=CC=C1 PI-29809 [1,1,0,0,0,0|1,0,0]=3 414 B12R2.1081 Clc1cccc2ccccc12 PI-32014 [1,1,0,0,0,0|0,0,0]=2 415 B12R2.1081 Fc1cccc2ccccc12 PI-28374 [1,1,0,0,0,0|0,0,0]=2 416 B12R2.1081 IC1=CC=CC2=C1C=CC=C2 PI-10978 [1,1,0,0,0,0|0,0,0]=2 417 B12R2.1081 Ic1ccnc2ccccc12 PI-36504 [1,1,0,0,0,0|1,0,0]=3 418 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 PI-28683 [1,1,0,0,0,0|1,0,0]=3 419 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 PI-16512 [1,1,0,0,0,0|1,0,0]=3 420 B12R2.1081 Nc1cccc2c1nccc2 PI-31237 [1,1,0,0,0,0|1,0,0]=3 421 B12R2.1081 Nc1cncc2ccccc12 PI-29375 [1,1,0,0,0,0|1,0,0]=3 422 B12R2.1081 Nc1nccc2c1cccc2 PI-17133 [1,1,0,0,0,0|1,0,0]=3 423 B12R2.1081 Oc1cccc2ncccc12 PI-29714 [1,1,0,0,0,0|1,0,0]=3 424 B12R2.1081 [O-]c1cccc2c1nccc2 PI-33666 [1,1,0,0,0,0|1,0,0]=3 425 B12R2.1081 [O-]c1cccc2c1nccc2 PI-38357 [1,1,0,0,0,0|1,0,0]=3 426 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O PI-16169 [0,1,0,0,1,0|1,1,0]=4 427 B12R2.1 C1=CC=C2C(=C1)C(=CS2)C=O PI-18657 [0,1,0,0,1,0|1,1,0]=4 428 B12R2.1 C1=CC=C2C(=C1)C(=CS2)CN PI-35078 [0,1,0,0,1,0|2,0,0]=4 429 B12R2.1 C1=CC=CC2=C1[NH]C=C2C#N PI-10233 [0,1,0,0,1,0|2,0,0]=4 430 B12R2.1 O=Cc1coc2c1cccc2 PI-39293 [0,1,0,0,1,0|1,1,0]=4 431 B12R2.1 OCc1c[nH]c2c1cccc2 PI-16182 [0,1,0,0,1,0|1,1,0]=4 432 B12R2.18 Brc1c(Br)sc2c1cccc2 PI-40411 [0,1,0,0,1,0|2,0,0]=4 433 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [0,1,0,0,1,0|2,0,0]=4 434 B12R2.18 Cn1c(C)cc2c1cccc2 PI-11083 [0,1,0,0,1,0|2,0,0]=4 435 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [0,1,0,0,1,0|1,1,0]=4 436 B12R2.132 CC1=CNC2=C1C=C(C=C2)F PI-22695 [0,1,0,0,1,0|2,0,0]=4 437 B12R2.132 CC1=COC2=C1C=C(C=C2)O PI-44179 [0,1,0,0,1,0|2,0,0]=4 438 B12R2.132 CC1=CSC2=C1C=C(C=C2)Cl PI-30258 [0,1,0,0,1,0|2,0,0]=4 439 B12R2.132 CC1=CSC2=C1C=C(C=C2)F PI-23747 [0,1,0,0,1,0|2,0,0]=4 440 B12R2.132 Oc1ccc2c(c1)c(C)c[nH]2 PI-36560 [0,1,0,0,1,0|2,0,0]=4 441 B12R2.612 CN1C=CC2=C1C=CC(=C2)N PI-45196 [0,1,0,0,1,0|2,0,0]=4 442 B12R2.2028 C1C(=O)C2=CC=CC=C2C1=O PI-31372 [0,1,0,0,1,0|0,1,1]=4 443 B12R2.2028 N=C1NC(=N)c2ccccc12 PI-37309 [0,1,0,0,1,0|2,0,0]=4 444 B12R2.2028 O=C1NC(=O)c2c1cccc2 PI-33124 [0,1,0,0,1,0|1,1,0]=4 445 B12R2.2403 C1=CC=C2C(=C1)C=CS2(=O)=O PI-30948 [0,1,0,0,1,0|1,1,0]=4 446 B12R2.32 C1=CC=C2C(=C1)C=C(N2)CO PI-45001 [0,1,0,0,1,0|1,1,0]=4 447 B12R2.32 C1=CC=C2C(=C1)C=C(O2)C=O PI-16469 [0,1,0,0,1,0|1,1,0]=4 448 B12R2.32 C1=CC=C2C(=C1)C=C(S2)C=O PI-29507 [0,1,0,0,1,0|1,1,0]=4 449 B12R2.32 C1=CC=C2C(=C1)C=C(S2)CO PI-20808 [0,1,0,0,1,0|1,1,0]=4 450 B12R2.32 CCC1=CC2=CC=CC=C2C1 PI-29198 [0,1,0,0,1,0|1,0,1]=4 451 B12R2.32 CCC1=CC2=CC=CC=C2O1 PI-17342 [0,1,0,0,1,0|2,0,0]=4 452 B12R2.32 CSC1=NC2=CC=CC=C2O1 PI-33936 [0,1,0,0,1,0|2,0,0]=4 453 B12R2.32 CSC1=NC2=CC=CC=C2S1 PI-45375 [0,1,0,0,1,0|2,0,0]=4 454 B12R2.32 N#CC=1NC2=C(C1)C=CC=C2 PI-46707 [0,1,0,0,1,0|2,0,0]=4 455 B12R2.32 NCc1cc2c(s1)cccc2 PI-38175 [0,1,0,0,1,0|2,0,0]=4 456 B12R2.32 O=Cc1cc2ccccc2[nH]1 PI-31918 [0,1,0,0,1,0|1,1,0]=4 457 B12R2.202 CC1=CC2=C(N1)C=CC=C2O PI-18492 [0,1,0,0,1,0|2,0,0]=4 458 B12R2.202 CC=1CC2=C(C1)C(=CC=C2)Br PI-40277 [0,1,0,0,1,0|1,0,1]=4 459 B12R2.202 CC=1CC2=C(C1)C=CC=C2Br PI-40278 [0,1,0,0,1,0|1,0,1]=4 460 B12R2.606 CC1=CC2=C(C=C1)NC(=C2)C PI-23861 [0,1,0,0,1,0|2,0,0]=4 461 B12R2.606 CC1=CC2=C(C=C1)SC(=C2)Br PI-29061 [0,1,0,0,1,0|2,0,0]=4 462 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)Br PI-18077 [0,1,0,0,1,0|2,0,0]=4 463 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)F PI-21877 [0,1,0,0,1,0|2,0,0]=4 464 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)N PI-14108 [0,1,0,0,1,0|2,0,0]=4 465 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)O PI-27141 [0,1,0,0,1,0|2,0,0]=4 466 B12R2.606 CC=1NC2=C(C1)C=CC(=C2)Br PI-46796 [0,1,0,0,1,0|2,0,0]=4 467 B12R2.606 Clc1ccc2[nH]c(C)cc2c1 PI-27064 [0,1,0,0,1,0|2,0,0]=4 468 B12R2.606 NC1=CC=C2C(N=C(S)N2)=C1 PI-30424 [0,1,0,0,1,0|2,0,0]=4 469 B12R2.606 Nc1ccc2nc(S)sc2c1 PI-30026 [0,1,0,0,1,0|2,0,0]=4 470 B12R2.44 C1=CC(=CC2=C1C=CN2)C#N PI-16832 [0,1,0,0,1,0|2,0,0]=4 471 B12R2.44 C1=CC(=CC2=C1C=CN2)C=O PI-16830 [0,1,0,0,1,0|1,1,0]=4 472 B12R2.44 C1=CC2=C(C=CN2)C=C1C=O PI-16829 [0,1,0,0,1,0|1,1,0]=4 473 B12R2.44 C1=CC2=C(C=CO2)C=C1C=O PI-19018 [0,1,0,0,1,0|1,1,0]=4 474 B12R2.44 C1=CC2=C(C=CO2)C=C1CO PI-19435 [0,1,0,0,1,0|1,1,0]=4 475 B12R2.44 C1=CC2=C(C=CS2)C=C1C#N PI-29318 [0,1,0,0,1,0|2,0,0]=4 476 B12R2.44 COc1ccc2[nH]ccc2c1 PI-20326 [0,1,0,0,1,0|1,1,0]=4 477 B12R2.44 COc1ccc2c(c1)[nH]cc2 PI-22794 [0,1,0,0,1,0|1,1,0]=4 478 B12R2.44 COc1ccc2c(c1)cco2 PI-17717 [0,1,0,0,1,0|1,1,0]=4 479 B12R2.44 N#CC1=CC=C2C=COC2=C1 PI-41459 [0,1,0,0,1,0|2,0,0]=4 480 B12R2.44 N#Cc1ccc2[nH]ccc2c1 PI-10236 [0,1,0,0,1,0|2,0,0]=4 481 B12R2.44 NCC1=CC2=C(NC=C2)C=C1 PI-46736 [0,1,0,0,1,0|2,0,0]=4 482 B12R2.44 O=Cc1ccc2sccc2c1 PI-29029 [0,1,0,0,1,0|1,1,0]=4 483 B12R2.44 OCc1ccc2c(c1)cc[nH]2 PI-25040 [0,1,0,0,1,0|1,1,0]=4 484 B12R2.100 Brc1cc2cc[nH]c2cc1Cl PI-36785 [0,1,0,0,1,0|2,0,0]=4 485 B12R2.100 C1=CNC2=CC(=C(C=C21)F)Cl PI-20090 [0,1,0,0,1,0|2,0,0]=4 486 B12R2.100 Clc1cc2cc[nH]c2cc1F PI-39070 [0,1,0,0,1,0|2,0,0]=4 487 B12R2.100 Fc1cc2[nH]ccc2cc1F PI-10013 [0,1,0,0,1,0|2,0,0]=4 488 B12R2.100 Oc1cc2[nH]ccc2cc1O PI-41466 [0,1,0,0,1,0|1,1,0]=4 489 B12R2.246 C1=CNC2=C1C(=CC(=C2)F)F PI-10576 [0,1,0,0,1,0|2,0,0]=4 490 B14R2.92 C1=CC=C2C(=C1)C(=C(C=N2)C#N)Cl PI-48249 [0,2,0,0,0,0|2,0,0]=4 491 B14R2.92 C1=CC=C2C(=C1)C(=O)C(=CN2)C#N PI-31574 [0,2,0,0,0,0|2,0,0]=4 492 B14R2.92 C1=CC=C2C(=C1)C(=O)C(=CO2)C#N PI-28590 [0,2,0,0,0,0|2,0,0]=4 493 B14R2.92 C1=CC=C2C(=C1)C(=O)C(=CO2)C=O PI-15376 [0,2,0,0,0,0|1,1,0]=4 494 B14R2.92 C1=CC=C2C(=C1)C=CC(=C2Br)C=O PI-46886 [0,2,0,0,0,0|0,1,0]=3 495 B14R2.92 C1=CC=C2C(=C1)C=CC(=C2Br)CBr PI-18509 [0,2,0,0,0,0|1,0,0]=3 496 B14R2.92 C1=CC=C2C(=C1)C=CC(=C2O)N=O PI-18151 [0,2,0,0,0,0|0,1,0]=3 497 B14R2.92 COc1ccc2ccccc2c1Br PI-18479 [0,2,0,0,0,0|0,1,0]=3 498 B14R2.203 CC1=C(C2=CC=CC=C2C=C1)CCl PI-25775 [0,2,0,0,0,0|1,0,0]=3 499 B14R2.203 O=Cc1c(O)ccc2c1cccc2 PI-32015 [0,2,0,0,0,0|0,1,0]=3 500 B14R2.203 O=Nc1c(O)ccc2ccccc12 PI-10563 [0,2,0,0,0,0|0,1,0]=3 501 B14R2.4513 C1=CC(=CC2=C1C=CC(=C2F)F)O PI-34367 [0,2,0,0,0,0|0,1,0]=3 502 B14R2.4513 O=c1ccc2c(o1)c(O)c(cc2)O PI-12766 [0,2,0,0,0,0|1,1,0]=4 503 B14R2.7724 Brc1cc(Br)c2c(c1O)nccc2 PI-33033 [0,2,0,0,0,0|2,0,0]=4 504 B14R2.7724 Brc1cc(Cl)c2cccnc2c1O PI-29908 [0,2,0,0,0,0|2,0,0]=4 505 B14R2.7724 C1=CC=C2C(=C1)C(=CC(=C2O)Br)Br PI-18316 [0,2,0,0,0,0|1,0,0]=3 506 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O PI-44841 [0,2,0,0,0,0|1,0,0]=3 507 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O PI-44865 [0,2,0,0,0,0|1,0,0]=3 508 B14R2.7724 CN1C2=CC=CC=C2C(=CC1=O)O PI-30202 [0,2,0,0,0,0|1,1,0]=4 509 B14R2.7724 Ic1cc(Cl)c2cccnc2c1O PI-13586 [0,2,0,0,0,0|2,0,0]=4 510 B14R2.7724 O=C1C(O)=CC(C2=C1C=CC=C2)=O PI-41645 [0,2,0,0,0,0|0,1,0]=3 511 B14R2.7724 O=C1N(C)C=C(Br)C2=C1C=CC=C2 PI-46791 [0,2,0,0,0,0|2,0,0]=4 512 B14R2.7724 OC1=C2N=CC=CC2=C(Cl)C=C1Cl PI-33032 [0,2,0,0,0,0|2,0,0]=4 513 B14R2.8188 C1=CC=C2C(=C1)C(=C(C(=O)N2)Cl)O PI-32633 [0,2,0,0,0,0|1,1,0]=4 514 B14R2.29369 Brc1ccc2c(c1)ccc(c2Br)O PI-18231 [0,2,0,0,0,0|0,1,0]=3 515 B14R2.29369 C1=CC2=C(C=CC(=C2F)F)C=C1O PI-34366 [0,2,0,0,0,0|0,1,0]=3 516 B14R2.112 C1=CC=C2C=C(C=CC2=C1)CCO PI-25172 [0,2,0,0,0,0|0,1,0]=3 517 B14R2.112 N#CCc1ccc2c(c1)cccc2 PI-11874 [0,2,0,0,0,0|1,0,0]=3 518 B14R2.134 COC1=CC2=C(C=C1)C=CC(=O)O2 PI-20386 [0,2,0,0,0,0|1,1,0]=4 519 B14R2.134 COc1ccc2ccc(O)cc2c1 PI-18595 [0,2,0,0,0,0|0,1,0]=3 520 B14R2.142 C1=CC2=C(C(=C1)O)N=C(C=C2)C=O PI-29143 [0,2,0,0,0,0|1,1,0]=4 521 B14R2.142 CC1=C2C=C(C=CC2=NC=C1)C#N PI-45915 [0,2,0,0,0,0|2,0,0]=4 522 B14R2.142 CC1=C2C=C(C=CC2=NC=C1)OC PI-25550 [0,2,0,0,0,0|1,1,0]=4 523 B14R2.142 COC1=CC2=C(C=C1)NC=CC2=O PI-25373 [0,2,0,0,0,0|1,1,0]=4 524 B14R2.142 COc1ccc2c(c1)c(N)ccn2 PI-25752 [0,2,0,0,0,0|1,1,0]=4 525 B14R2.142 COc1ccc2nccc(Cl)c2c1 PI-25007 [0,2,0,0,0,0|1,1,0]=4 526 B14R2.142 O=CC1=CC2=C(C=C1)C=CN=C2Cl PI-33843 [0,2,0,0,0,0|1,1,0]=4 527 B14R2.781 C1=CC2=C(C=C1)C=C(C=C2)B(O)O PI-28376 [0,2,0,0,0,0|0,1,0]=3 528 B14R2.781 C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1 PI-29762 [0,2,0,0,0,0|1,1,0]=4 529 B14R2.781 C1=CC=C2C(=C1)C=C(C=N2)[N+](=O)[O-] PI-13193 [0,2,0,0,0,0|1,1,0]=4 530 B14R2.781 C1=CC=C2C(=C1)C=CC(=N2)C(=O)[O-] PI-29193 [0,2,0,0,0,0|1,1,0]=4 531 B14R2.781 C1=CC=C2C=C(C=CC2=C1)C(=O)Cl PI-11873 [0,2,0,0,0,0|0,1,0]=3 532 B14R2.781 C1=CC=C2C=NC(=CC2=C1)C(=O)O PI-17895 [0,2,0,0,0,0|1,1,0]=4 533 B14R2.781 C1=CC=C2C=NC(=CC2=C1)C(=O)O PI-17896 [0,2,0,0,0,0|1,1,0]=4 534 B14R2.781 CC(=O)c1ccc2c(n1)cccc2 PI-39175 [0,2,0,0,0,0|1,1,0]=4 535 B14R2.781 CC(C)C1=CC2=C(C=C1)N=CC=C2 PI-16453 [0,2,0,0,0,0|2,0,0]=4 536 B14R2.781 CC(C)C1=CC2=CC=CC=C2C=C1 PI-25313 [0,2,0,0,0,0|1,0,0]=3 537 B14R2.781 CC(C1=CC2=CC=CC=C2C=C1)N PI-48836 [0,2,0,0,0,0|1,0,0]=3 538 B14R2.781 CC(C1=CC2=CC=CC=C2C=C1)O PI-18428 [0,2,0,0,0,0|0,1,0]=3 539 B14R2.781 CC(C1=CC2=CC=CC=C2C=C1)O PI-25544 [0,2,0,0,0,0|0,1,0]=3 540 B14R2.781 CC(C1=CC2=CC=CC=C2C=C1)O PI-32012 [0,2,0,0,0,0|0,1,0]=3 541 B14R2.781 CC(C1=CC2=CC=NC=C2C=C1)C PI-46564 [0,2,0,0,0,0|2,0,0]=4 542 B14R2.781 CN(C)C1=CC2=CC=CC=C2C=C1 PI-18383 [0,2,0,0,0,0|1,0,0]=3 543 B14R2.781 C[C@H](C1=CC2=CC=CC=C2C=C1)N PI-48837 [0,2,0,0,0,0|1,0,0]=3 544 B14R2.781 O=C(N)C1=CC=C2C=CC=CC2=C1 PI-18356 [0,2,0,0,0,0|0,1,0]=3 545 B14R2.781 O=[N+](C1=CC=C2C=CC=CC2=C1)[O-] PI-25705 [0,2,0,0,0,0|0,1,0]=3 546 B14R2.781 OB(c1ccc2c(c1)cccn2)O PI-32951 [0,2,0,0,0,0|1,1,0]=4 547 B14R2.781 OB(c1ccc2c(c1)ccnc2)O PI-38417 [0,2,0,0,0,0|1,1,0]=4 548 B14R2.781 OB(c1ccc2c(c1)nccc2)O PI-38795 [0,2,0,0,0,0|1,1,0]=4 549 B14R2.781 OB(c1ccc2c(n1)cccc2)O PI-32953 [0,2,0,0,0,0|1,1,0]=4 550 B14R2.781 OB(c1cnc2c(c1)cccc2)O PI-25286 [0,2,0,0,0,0|1,1,0]=4 551 B14R2.781 OC(=O)c1ccc2c(n1)cccc2 PI-16485 [0,2,0,0,0,0|1,1,0]=4 552 B14R2.781 OC(=O)c1ccc2ncccc2c1 PI-16198 [0,2,0,0,0,0|1,1,0]=4 553 B14R2.781 OC(=O)c1cnc2c(c1)cccc2 PI-29823 [0,2,0,0,0,0|1,1,0]=4 554 B14R2.781 [O-][N+](=O)c1ccc2c(c1)nccc2 PI-38835 [0,2,0,0,0,0|1,1,0]=4 555 B14R2.1019 COC1=CC2=CC=CC=C2C(=C1)O PI-45481 [0,2,0,0,0,0|0,1,0]=3 556 B14R2.1019 COc1cc(N)c2c(c1)cccn2 PI-10318 [0,2,0,0,0,0|1,1,0]=4 557 B14R2.1019 CSC1=NC2=CC=CC=C2C(=N1)N PI-30821 [0,2,0,0,0,0|2,0,0]=4 558 B14R2.1128 C1=CC=C2C(=C1)C=C(C(=N2)Cl)C=O PI-24594 [0,2,0,0,0,0|1,1,0]=4 559 B14R2.1128 C1=CC=C2C(=C1)C=C(C(=O)O2)C#N PI-15401 [0,2,0,0,0,0|1,1,0]=4 560 B14R2.1801 C1=CC2=CC(=CN=C2C(=C1)F)C#N PI-48868 [0,2,0,0,0,0|2,0,0]=4 561 B14R2.1801 COC1=CC2=C(C=C1)C(=CC=C2)O PI-18360 [0,2,0,0,0,0|0,1,0]=3 562 B14R2.1801 COc1ccc2c(Cl)ccnc2c1 PI-18825 [0,2,0,0,0,0|1,1,0]=4 563 B14R2.1801 COc1ccc2c(O)ccnc2c1 PI-25854 [0,2,0,0,0,0|1,1,0]=4 564 B14R2.1801 COc1ccc2c(c1)nccc2N PI-18057 [0,2,0,0,0,0|1,1,0]=4 565 B14R2.2332 CCC1=CC2=C(C=C1)C=C(C=C2)O PI-28151 [0,2,0,0,0,0|0,1,0]=3 566 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=N1 PI-46784 [0,2,0,0,0,0|1,1,0]=4 567 B14R2.2332 COc1ccc2c(c1)ccc(c2)O PI-18603 [0,2,0,0,0,0|0,1,0]=3 568 B14R2.2332 COc1ccc2c(c1)ccc(n2)Cl PI-39133 [0,2,0,0,0,0|1,1,0]=4 569 B14R2.2332 COc1ccc2cc(Br)ccc2c1 PI-10302 [0,2,0,0,0,0|0,1,0]=3 570 B14R2.2332 COc1ccc2nc(C)ccc2c1 PI-16514 [0,2,0,0,0,0|1,1,0]=4 571 B14R2.2332 N#Cc1ccc2c(c1)ccc(c2)O PI-18633 [0,2,0,0,0,0|0,1,0]=3 572 B14R2.2332 O=Cc1ccc2c(c1)ccc(c2)O PI-28822 [0,2,0,0,0,0|0,1,0]=3 573 B14R2.8239 O=c1ccc2c(o1)cc(c(c2)O)O PI-11466 [0,2,0,0,0,0|1,1,0]=4 574 B14R2.29365 CC1=CC(=C2C=CC(=CC2=N1)F)Cl PI-29276 [0,2,0,0,0,0|2,0,0]=4 575 B14R2.29365 CC1=CC(=O)NC2=C1C=CC(=C2)N PI-35669 [0,2,0,0,0,0|1,1,0]=4 576 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(=C2)O PI-32646 [0,2,0,0,0,0|1,1,0]=4 577 B14R2.29365 Nc1ccc2c(c1)oc(=O)cc2C PI-10241 [0,2,0,0,0,0|1,1,0]=4 578 B14R2.29365 O=C1NC2=C(C=CC(O)=C2)C(C)=C1 PI-37142 [0,2,0,0,0,0|1,1,0]=4 579 B14R2.8045 CC1=C2C(=CC=C1)C(=CC(=N2)C)Cl PI-29483 [0,2,0,0,0,0|2,0,0]=4 580 B14R2.8045 CC1=C2C(=CC=C1)C(=CC(=N2)Cl)C PI-35443 [0,2,0,0,0,0|2,0,0]=4 581 B14R2.8045 CC1=C2C(=CC=C1)C(=O)C=C(N2)C PI-29160 [0,2,0,0,0,0|2,0,0]=4 582 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)Br)N PI-50068 [0,2,0,0,0,0|2,0,0]=4 583 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)F)Cl PI-29279 [0,2,0,0,0,0|2,0,0]=4 584 B14R2.8235 Brc1ccc2c(c1)c(O)cc(=O)o2 PI-15397 [0,2,0,0,0,0|1,1,0]=4 585 B14R2.8235 C1=CC2=C(C=C1Br)C(=CC(=N2)Cl)Cl PI-46543 [0,2,0,0,0,0|2,0,0]=4 586 B14R2.8235 CC1=CC(=C2C=C(C=CC2=N1)F)Cl PI-29274 [0,2,0,0,0,0|2,0,0]=4 587 B14R2.8235 CC1=CC2=C(C=C1)OC(=O)C=C2O PI-15406 [0,2,0,0,0,0|1,1,0]=4 588 B14R2.8235 Clc1ccc2c(c1)c(O)cc(=O)o2 PI-15400 [0,2,0,0,0,0|1,1,0]=4 589 B14R2.8235 Fc1ccc2c(c1)c(Cl)cc(n2)Cl PI-37950 [0,2,0,0,0,0|2,0,0]=4 590 B14R2.8235 Fc1ccc2c(c1)c(O)cc(n2)C PI-29166 [0,2,0,0,0,0|2,0,0]=4 591 B14R2.11684 BrCc1cccc2ccc(F)cc12 PI-35152 [0,2,0,0,0,0|1,0,0]=3 592 B14R2.11684 CC1=NC2=C(C=CC=C2OC)C=C1 PI-25421 [0,2,0,0,0,0|2,0,0]=4 593 B14R2.28472 CC1=C2C=C(C(=CC2=CC=C1)C)C PI-18357 [0,2,0,0,0,0|1,0,0]=3 594 B14R2.1146 BrCc1cc(=O)[nH]c2c1cccc2 PI-16799 [0,2,0,0,0,0|1,1,0]=4 595 B14R2.1073 C1=CC2=C(C=CN=C2C=C1Cl)NN PI-29380 [0,2,0,0,0,0|2,0,0]=4 596 B14R2.1073 COC1=C2C=CC(=CC2=NC=C1)Br PI-50018 [0,2,0,0,0,0|2,0,0]=4 597 B12R2.315 C1=CC(=C2C=CNC2=C1)C=O PI-10831 [0,0,1,1,0,0|2,0,0]=4 598 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [0,0,1,0,1,0|1,1,0]=4 599 B10R2.7 C1=CC2=NC=CN2C=C1 PI-45016 [1,0,0,0,1,0|2,0,0]=4 600 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [1,0,0,0,1,0|1,0,0]=3 601 B10R2.7 C1=CC=C2C(=C1)N=CO2 PI-47002 [1,0,0,0,1,0|2,0,0]=4 602 B10R2.7 C1=CC=C2C(=C1)SC=[S+]2 PI-14799 [1,0,0,0,1,0|2,0,0]=4 603 B10R2.7 C1=C[NH]C2=C1C=CN=C2 PI-10410 [1,0,0,0,1,0|2,0,0]=4 604 B10R2.7 C1=C[NH]C2=C1C=NC=C2 PI-10409 [1,0,0,0,1,0|2,0,0]=4 605 B10R2.7 c1ccc2c(c1)[nH]cn2 PI-31348 [1,0,0,0,1,0|2,0,0]=4 606 B10R2.7 c1ccc2c(c1)[nH]nc2 PI-31379 [1,0,0,0,1,0|2,0,0]=4 607 B10R2.7 c1ccc2ccsc2c1 PI-14247 [1,0,0,0,1,0|1,0,0]=3 608 B10R2.7 c1ccc2cncn2c1 PI-36857 [1,0,0,0,1,0|2,0,0]=4 609 B10R2.7 c1cnc2[nH]ccc2c1 PI-16515 [1,0,0,0,1,0|2,0,0]=4 610 B10R2.7 c1cnc2c(c1)[nH]cc2 PI-10408 [1,0,0,0,1,0|2,0,0]=4 611 B10R2.7 c1ncc2sccc2c1 PI-36075 [1,0,0,0,1,0|2,0,0]=4 612 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [0,0,0,0,2,0|0,1,1]=4