0 B12R2.1081 Brc1cccc2ccccc12 PI-34202 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.1081 Brc1ccnc2c1cccc2 PI-33930 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.1081 C1=CC2=C(C(=C1)Br)N=CC=C2 PI-14517 [0,0,0,0,0,0|1,0,0]=1 3 B12R2.1081 C1=CC2=C(C(=C1)Cl)N=CC=C2 PI-29757 [0,0,0,0,0,0|1,0,0]=1 4 B12R2.1081 C1=CC2=C(C(=C1)O)N=CC=C2 PI-32036 [0,0,0,0,0,0|0,0,0]=0 5 B12R2.1081 C1=CC2=C(C(=C1)S)N=CC=C2 PI-12049 [0,0,0,0,0,0|0,1,0]=1 6 B12R2.1081 C1=CC2=C(C(=C1)[O-])N=CC=C2 PI-33667 [0,0,0,0,0,0|0,0,1]=1 7 B12R2.1081 C1=CC2=C(C(=C1)[O-])N=CC=C2 PI-37979 [0,0,0,0,0,0|0,0,1]=1 8 B12R2.1081 C1=CC2=C(C(=NC=C2)N)N=C1 PI-14582 [0,0,0,0,0,0|2,0,0]=2 9 B12R2.1081 C1=CC2=C(C=CC=N2)C(=C1)I PI-48538 [0,0,0,0,0,0|3,0,0]=3 10 B12R2.1081 C1=CC2=C(C=CN=C2)C(=C1)Cl PI-17702 [0,0,0,0,0,0|3,0,0]=3 11 B12R2.1081 C1=CC2=C(C=NC=C2)C(=C1)Br PI-14518 [0,0,0,0,0,0|3,0,0]=3 12 B12R2.1081 C1=CC2=NC=CN=C2C(=C1)Br PI-48535 [0,0,0,0,0,0|2,0,0]=2 13 B12R2.1081 C1=CC=C(C2=CC=CN=C12)Br PI-29629 [0,0,0,0,0,0|3,0,0]=3 14 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CN2 PI-16442 [0,0,0,0,0,0|2,0,1]=3 15 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CO2 PI-15386 [0,0,0,0,0,0|2,0,1]=3 16 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2S PI-18636 [0,0,0,0,0,0|1,1,0]=2 17 B12R2.1081 C1=CC=C2C(=C1)C=CC=[N+]2[O-] PI-29172 [0,0,0,0,0,0|2,0,1]=3 18 B12R2.1081 C1=CC=C2C(=C1)C=CC=[N+]2[O-] PI-29819 [0,0,0,0,0,0|2,0,1]=3 19 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2Br PI-16539 [0,0,0,0,0,0|3,0,0]=3 20 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2Cl PI-29294 [0,0,0,0,0,0|3,0,0]=3 21 B12R2.1081 C1=CC=C2C(=C1)C=NC=C2Br PI-11110 [0,0,0,0,0,0|3,0,0]=3 22 B12R2.1081 C1=CC=C2C(=C1)C=NC=C2F PI-42940 [0,0,0,0,0,0|3,0,0]=3 23 B12R2.1081 C1=CC=CC2=C1C(=O)NC=C2 PI-11697 [0,0,0,0,0,0|2,0,1]=3 24 B12R2.1081 C1=CN=CC2=CC=CC(=C12)Br PI-17691 [0,0,0,0,0,0|3,0,0]=3 25 B12R2.1081 C1CC(C2=C(C1)C=CC=N2)O PI-42265 [0,0,0,0,0,0|0,0,4]=4 26 B12R2.1081 C1COC2=C(C1O)N=CC=C2 PI-36563 [0,0,0,0,0,0|1,0,3]=4 27 B12R2.1081 C1COC2=C(N1)C=CC=C2O PI-36585 [0,0,0,0,0,0|2,0,2]=4 28 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 PI-48532 [0,0,0,0,0,0|3,0,0]=3 29 B12R2.1081 Cc1ccnc2ccccc12 PI-16520 [0,0,0,0,0,0|3,0,0]=3 30 B12R2.1081 Cc1nccc2ccccc12 PI-29203 [0,0,0,0,0,0|3,0,0]=3 31 B12R2.1081 ClC1=C2C=CC=NC2=CC=C1 PI-29809 [0,0,0,0,0,0|3,0,0]=3 32 B12R2.1081 Clc1cccc2ccccc12 PI-32014 [0,0,0,0,0,0|2,0,0]=2 33 B12R2.1081 Fc1cccc2ccccc12 PI-28374 [0,0,0,0,0,0|2,0,0]=2 34 B12R2.1081 IC1=CC=CC2=C1C=CC=C2 PI-10978 [0,0,0,0,0,0|2,0,0]=2 35 B12R2.1081 Ic1ccnc2ccccc12 PI-36504 [0,0,0,0,0,0|3,0,0]=3 36 B12R2.1081 N1=CC=CC2=C1C(CCC2)=O PI-42243 [0,0,0,0,0,0|0,0,4]=4 37 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 PI-28683 [0,0,0,0,0,0|3,0,0]=3 38 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 PI-16512 [0,0,0,0,0,0|3,0,0]=3 39 B12R2.1081 Nc1cccc2c1nccc2 PI-31237 [0,0,0,0,0,0|1,0,0]=1 40 B12R2.1081 Nc1cncc2ccccc12 PI-29375 [0,0,0,0,0,0|3,0,0]=3 41 B12R2.1081 Nc1nccc2c1cccc2 PI-17133 [0,0,0,0,0,0|3,0,0]=3 42 B12R2.1081 Oc1cccc2c1CCCC2 PI-18635 [0,0,0,0,0,0|1,0,3]=4 43 B12R2.1081 Oc1cccc2ncccc12 PI-29714 [0,0,0,0,0,0|2,0,0]=2 44 B12R2.1081 [O-]c1cccc2c1nccc2 PI-33666 [0,0,0,0,0,0|0,0,1]=1 45 B12R2.1081 [O-]c1cccc2c1nccc2 PI-38357 [0,0,0,0,0,0|0,0,1]=1 46 B11R2.20 C12=CC=CN=C1C=CC=C2 PI-47013 [1,0,0,0,0,0|0,0,0]=1 47 B11R2.20 C1=CC2=C(C=CN=C2)N=C1 PI-13294 [1,0,0,0,0,0|1,0,0]=2 48 B11R2.20 C1=CC2=C(N=C1)N=CC=C2 PI-18404 [1,0,0,0,0,0|1,0,0]=2 49 B11R2.20 C1=CC2=NC=CN=C2N=C1 PI-25440 [1,0,0,0,0,0|2,0,0]=3 50 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 PI-29663 [1,0,0,0,0,0|0,0,0]=1 51 B11R2.20 C1=Cc2c(CC1)cccc2 PI-25582 [1,0,0,0,0,0|1,0,1]=3 52 B11R2.20 C1CN=CC2=CC=CC=C21 PI-17411 [1,0,0,0,0,0|2,0,1]=4 53 B11R2.20 c1ccc2c(c1)cnnc2 PI-38024 [1,0,0,0,0,0|3,0,0]=4 54 B11R2.20 c1cnc2c(c1)nccc2 PI-18405 [1,0,0,0,0,0|1,0,0]=2 55 B13R2.32 Brc1ccc2c(c1O)cccc2 PI-39182 [0,1,0,0,0,0|1,0,0]=2 56 B13R2.32 C1=CC(=O)C(=C2C1=CNC=C2)Cl PI-44811 [0,1,0,0,0,0|3,0,0]=4 57 B13R2.32 C1=CC2=C(C=CC(=C2Cl)O)N=C1 PI-44806 [0,1,0,0,0,0|3,0,0]=4 58 B13R2.32 C1=CC=C2C(=C1)C(=C(C=N2)O)Cl PI-44804 [0,1,0,0,0,0|3,0,0]=4 59 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)O PI-18432 [0,1,0,0,0,0|2,0,0]=3 60 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)O PI-25084 [0,1,0,0,0,0|2,0,0]=3 61 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)F PI-18694 [0,1,0,0,0,0|1,0,0]=2 62 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)N PI-18543 [0,1,0,0,0,0|1,0,0]=2 63 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)O PI-25690 [0,1,0,0,0,0|1,0,0]=2 64 B13R2.32 C1=CC=C2C(=C1)C=CC(=O)C2=O PI-25638 [0,1,0,0,0,0|1,0,1]=3 65 B13R2.32 C1=CC=C2C(=C1)C=NC(=C2O)Cl PI-44810 [0,1,0,0,0,0|2,0,0]=3 66 B13R2.32 C1=CC=C2C(=C1)C=NC(=C2O)Cl PI-44835 [0,1,0,0,0,0|2,0,0]=3 67 B13R2.32 C1=CNC2=C(C(=O)C=CC2=C1)Cl PI-44809 [0,1,0,0,0,0|1,0,1]=3 68 B13R2.32 C1=CNC2=CC=C(C(=O)C2=C1)Cl PI-44805 [0,1,0,0,0,0|2,0,1]=4 69 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)Br PI-11689 [0,1,0,0,0,0|2,0,0]=3 70 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)O PI-18875 [0,1,0,0,0,0|1,0,0]=2 71 B13R2.32 CC1=[N+](C2=CC=CC=C2C=C1)[O-] PI-42564 [0,1,0,0,0,0|2,0,1]=4 72 B13R2.32 Cc1ccc2ccccc2c1C PI-25689 [0,1,0,0,0,0|2,0,0]=3 73 B13R2.32 Cc1ccc2ccccc2c1N PI-18358 [0,1,0,0,0,0|2,0,0]=3 74 B13R2.32 NC1=CC=C2N=CC=NC2=C1Br PI-33790 [0,1,0,0,0,0|2,0,0]=3 75 B13R2.32 OC1=C(Br)C=CC2=C1C=CC=C2 PI-39181 [0,1,0,0,0,0|1,0,0]=2 76 B13R2.32 Oc1ccc2c(c1Br)cccc2 PI-25688 [0,1,0,0,0,0|2,0,0]=3 77 B13R2.162 Brc1ccc2c(c1)c(Cl)ncc2 PI-17772 [0,1,0,0,0,0|3,0,0]=4 78 B13R2.162 Brc1ccc2c(c1)c(O)ccn2 PI-31576 [0,1,0,0,0,0|2,0,0]=3 79 B13R2.162 C1=C2C(=NC(=C1)C)C(=CC=C2)O PI-33671 [0,1,0,0,0,0|0,0,0]=1 80 B13R2.162 C1=CC(=CC2=C1C=CNC2=O)Br PI-17773 [0,1,0,0,0,0|2,0,1]=4 81 B13R2.162 C1=CC(=CC2=C1C=CNC2=O)Cl PI-17775 [0,1,0,0,0,0|2,0,1]=4 82 B13R2.162 C1=CC2=C(C(=C1)O)N=C(C=C2)N PI-24571 [0,1,0,0,0,0|0,0,0]=1 83 B13R2.162 C1=CC2=C(C(=C1)O)NC(=O)C=C2 PI-28179 [0,1,0,0,0,0|0,0,1]=2 84 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)Br PI-45478 [0,1,0,0,0,0|2,0,0]=3 85 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)O PI-11684 [0,1,0,0,0,0|1,0,0]=2 86 B13R2.162 C1=CC2=C(C=C1Br)C(=O)C=CO2 PI-15388 [0,1,0,0,0,0|2,0,1]=4 87 B13R2.162 C1=CC2=C(C=C1F)C(=O)C=CN2 PI-23595 [0,1,0,0,0,0|2,0,1]=4 88 B13R2.162 C1=CC2=CC=CC(=C2N=C1C)N PI-29287 [0,1,0,0,0,0|1,0,0]=2 89 B13R2.162 C1=CC2=NC=CC(=C2C=C1Br)Cl PI-46542 [0,1,0,0,0,0|3,0,0]=4 90 B13R2.162 CC1=C2C(=CC=C1)C=CC(=N2)C PI-11772 [0,1,0,0,0,0|1,0,0]=2 91 B13R2.162 CC1=C2C=C(C=CC2=CC=C1)O PI-49019 [0,1,0,0,0,0|2,0,0]=3 92 B13R2.162 CC1=CC2=C(C=CC=C2C=C1)C PI-18703 [0,1,0,0,0,0|2,0,0]=3 93 B13R2.162 CC1=NC2=C(C=CC=C2Cl)C=C1 PI-16458 [0,1,0,0,0,0|1,0,0]=2 94 B13R2.162 Cc1ccc2cccc(Br)c2n1 PI-36505 [0,1,0,0,0,0|1,0,0]=2 95 B13R2.162 Clc1ccc2c(c1)c(O)ccn2 PI-31575 [0,1,0,0,0,0|2,0,0]=3 96 B13R2.162 Clc1ccc2occc(=O)c2c1 PI-15387 [0,1,0,0,0,0|2,0,1]=4 97 B13R2.162 Fc1ccc2c(c1)c(Cl)ccn2 PI-20115 [0,1,0,0,0,0|3,0,0]=4 98 B13R2.162 OC1=CC=C2C=CC=C(N)C2=C1 PI-25075 [0,1,0,0,0,0|2,0,0]=3 99 B13R2.328 C1=CC=C2C(=C1)C(=CC(=N2)Cl)Cl PI-29861 [0,1,0,0,0,0|3,0,0]=4 100 B13R2.328 C1=CC=C2C(=C1)C(=CC(=O)N2)[O-] PI-29605 [0,1,0,0,0,0|2,0,1]=4 101 B13R2.328 C1=CC=C2C(=C1)C(=O)C=C(N2)N PI-29594 [0,1,0,0,0,0|2,0,1]=4 102 B13R2.328 CC1=CC(=NC2=CC=CC=C12)C PI-11755 [0,1,0,0,0,0|3,0,0]=4 103 B13R2.328 CC1=CC(=NC2=CC=CC=C12)Cl PI-10849 [0,1,0,0,0,0|3,0,0]=4 104 B13R2.328 CC1=CC2=CC=CC=C2[N+](=C1)[O-] PI-29281 [0,1,0,0,0,0|2,0,1]=4 105 B13R2.328 Cc1cc(N)c2ccccc2n1 PI-17561 [0,1,0,0,0,0|3,0,0]=4 106 B13R2.328 Cc1cc(O)c2c(n1)cccc2 PI-29750 [0,1,0,0,0,0|2,0,0]=3 107 B13R2.328 Cc1cc2ccccc2c(c1)C PI-25697 [0,1,0,0,0,0|2,0,0]=3 108 B13R2.328 Clc1cc2ccccc2c(n1)Cl PI-31690 [0,1,0,0,0,0|3,0,0]=4 109 B13R2.328 Nc1cc2ccccc2c(Br)n1 PI-29111 [0,1,0,0,0,0|3,0,0]=4 110 B13R2.328 O=c1cc(O)c2ccccc2o1 PI-31737 [0,1,0,0,0,0|2,0,0]=3 111 B13R2.328 OC1=CC2=NC=CC=C2C(O)=N1 PI-40520 [0,1,0,0,0,0|3,0,0]=4 112 B13R2.328 Oc1cc(C)c2c(n1)cccc2 PI-10848 [0,1,0,0,0,0|3,0,0]=4 113 B13R2.328 Oc1cc(O)c2c(n1)cccc2 PI-16408 [0,1,0,0,0,0|2,0,0]=3 114 B13R2.328 Oc1cc2ccccc2c(c1)O PI-25115 [0,1,0,0,0,0|1,0,0]=2 115 B13R2.342 Brc1cccc2c(=O)nc[nH]c12 PI-36127 [0,1,0,0,0,0|2,0,1]=4 116 B13R2.342 C1=CC2=C(C(=C1)Br)N=CN=C2Cl PI-34861 [0,1,0,0,0,0|2,0,0]=3 117 B13R2.342 C1=CC2=C(C(=C1)Cl)NC=CC2=O PI-29713 [0,1,0,0,0,0|1,0,1]=3 118 B13R2.342 C1=CC2=C(C=CC=C2Cl)C(=C1)N PI-33956 [0,1,0,0,0,0|2,0,0]=3 119 B13R2.342 C1=CC2=C(C=CN=C2C(=C1)Cl)Cl PI-29349 [0,1,0,0,0,0|1,0,0]=2 120 B13R2.342 CC1=C2C(=CC=C1)C(=CC=N2)Br PI-50070 [0,1,0,0,0,0|1,0,0]=2 121 B13R2.342 CC1=C2C(=CC=C1)C(=CC=N2)Cl PI-29271 [0,1,0,0,0,0|1,0,0]=2 122 B13R2.342 Cc1cccc2c1cccc2C PI-25686 [0,1,0,0,0,0|2,0,0]=3 123 B13R2.342 Clc1ccnc2c1cccc2F PI-20116 [0,1,0,0,0,0|1,0,0]=2 124 B13R2.342 Clc1ncnc2c(Cl)cccc12 PI-36210 [0,1,0,0,0,0|2,0,0]=3 125 B13R2.342 Ic1cccc2c(Cl)ncnc12 PI-36165 [0,1,0,0,0,0|2,0,0]=3 126 B13R2.342 Ic1cccc2c(O)ncnc12 PI-36149 [0,1,0,0,0,0|2,0,0]=3 127 B13R2.342 Nc1cccc2c(N)cccc12 PI-25366 [0,1,0,0,0,0|2,0,0]=3 128 B13R2.342 Nc1cccc2c1cccc2O PI-33025 [0,1,0,0,0,0|1,0,0]=2 129 B13R2.342 O=C1CCCc2c1cccc2O PI-10557 [0,1,0,0,0,0|1,0,2]=4 130 B13R2.342 O=C1NCCc2c(O)cccc12 PI-36228 [0,1,0,0,0,0|2,0,1]=4 131 B13R2.342 Oc1cccc2c(O)cccc12 PI-32152 [0,1,0,0,0,0|1,0,0]=2 132 B13R2.342 Oc1cccc2c1ccnc2O PI-40239 [0,1,0,0,0,0|2,0,0]=3 133 B13R2.342 Oc1ccnc2c1cccc2F PI-23596 [0,1,0,0,0,0|1,0,0]=2 134 B13R2.342 Sc1cccc2c1cccc2S PI-18646 [0,1,0,0,0,0|1,1,0]=3 135 B13R2.371 BrC1=C2C=CC=CC2=C(Br)N=C1 PI-46816 [0,1,0,0,0,0|3,0,0]=4 136 B13R2.371 Brc1ccc(N)c2ccccc12 PI-14332 [0,1,0,0,0,0|2,0,0]=3 137 B13R2.371 Brc1ccc(N)c2ncccc12 PI-22597 [0,1,0,0,0,0|1,0,0]=2 138 B13R2.371 Brc1ccc(c2c1cccc2)Br PI-18921 [0,1,0,0,0,0|2,0,0]=3 139 B13R2.371 C1=CC(=C2C=NC=CC2=C1Cl)Cl PI-17670 [0,1,0,0,0,0|3,0,0]=4 140 B13R2.371 C1=CC2=C(C=CC(=C2N=C1)N)Br PI-22596 [0,1,0,0,0,0|1,0,0]=2 141 B13R2.371 C1=CC2=C(C=CC(=C2N=C1)O)Cl PI-33668 [0,1,0,0,0,0|0,0,0]=1 142 B13R2.371 C1=CC2=C(C=CC(=C2N=C1)O)F PI-23594 [0,1,0,0,0,0|0,0,0]=1 143 B13R2.371 C1=CC2=C(C=CC(=C2N=C1)O)N PI-28270 [0,1,0,0,0,0|0,0,0]=1 144 B13R2.371 C1=CC2=C(C=CC(=C2N=C1)O)N PI-42099 [0,1,0,0,0,0|0,0,0]=1 145 B13R2.371 C1=CC=C2C(=C1)C(=CC=C2O)O PI-25685 [0,1,0,0,0,0|1,0,0]=2 146 B13R2.371 C1=CC=C2C(=C1)C(=CN=C2Cl)Cl PI-44410 [0,1,0,0,0,0|3,0,0]=4 147 B13R2.371 C1=CC=C2C(=C1)C(=CNC2=O)Br PI-17565 [0,1,0,0,0,0|2,0,1]=4 148 B13R2.371 C1=CC=C2C(=C1)C(=CNC2=O)Cl PI-17569 [0,1,0,0,0,0|2,0,1]=4 149 B13R2.371 CC1=CC=C(C2=CC=CC=C12)Br PI-25776 [0,1,0,0,0,0|2,0,0]=3 150 B13R2.371 Cc1ccc(c2c1cccc2)C PI-25684 [0,1,0,0,0,0|2,0,0]=3 151 B13R2.371 Clc1ccc(c2c1cccc2)O PI-25723 [0,1,0,0,0,0|1,0,0]=2 152 B13R2.371 Clc1ncc(c2c1cccc2)Br PI-29841 [0,1,0,0,0,0|3,0,0]=4 153 B13R2.371 FC1=C2C=CC=CC2=C(Br)C=C1 PI-14447 [0,1,0,0,0,0|2,0,0]=3 154 B13R2.371 Ic1ccc(c2c1cccc2)Br PI-37961 [0,1,0,0,0,0|2,0,0]=3 155 B13R2.371 Oc1ccc(c2c1cccc2)N PI-25713 [0,1,0,0,0,0|1,0,0]=2 156 B13R2.1613 BrCc1cccc2c1cccc2 PI-11690 [0,1,0,0,0,0|2,0,0]=3 157 B13R2.1613 BrCc1nccc2c1cccc2 PI-17065 [0,1,0,0,0,0|3,0,0]=4 158 B13R2.1613 C1=CC2=C(C=CN=C2)C(=C1)C=O PI-17899 [0,1,0,0,0,0|2,0,1]=4 159 B13R2.1613 C1=CC=C2C(=C1)C(=CC=N2)C=O PI-27590 [0,1,0,0,0,0|2,0,1]=4 160 B13R2.1613 C1=CC=C2C(=C1)C=CC=C2NN PI-14576 [0,1,0,0,0,0|2,0,0]=3 161 B13R2.1613 C1=CC=C2C(=C1)C=CN=C2CO PI-17163 [0,1,0,0,0,0|2,0,0]=3 162 B13R2.1613 CCC1=C2C=CC=CC2=CC=C1 PI-25055 [0,1,0,0,0,0|2,0,0]=3 163 B13R2.1613 CC[N+]1=CC=CC2=CC=CC=C21 PI-29806 [0,1,0,0,0,0|3,0,0]=4 164 B13R2.1613 CNC1=CC=CC2=CC=CC=C21 PI-11705 [0,1,0,0,0,0|2,0,0]=3 165 B13R2.1613 COc1cccc2c1cccc2 PI-25358 [0,1,0,0,0,0|1,0,0]=2 166 B13R2.1613 ClCc1cccc2ccccc12 PI-31356 [0,1,0,0,0,0|2,0,0]=3 167 B13R2.1613 N#CC1=C2C=CC=CC2=CN=C1 PI-46807 [0,1,0,0,0,0|3,0,0]=4 168 B13R2.1613 N#CC1=NC=CC2=C1C=CC=C2 PI-20304 [0,1,0,0,0,0|3,0,0]=4 169 B13R2.1613 N#Cc1cccc2c1cccc2 PI-32010 [0,1,0,0,0,0|2,0,0]=3 170 B13R2.1613 N#Cc1cccc2c1ccnc2 PI-17703 [0,1,0,0,0,0|3,0,0]=4 171 B13R2.1613 NCc1cccc2c1cccc2 PI-25073 [0,1,0,0,0,0|2,0,0]=3 172 B13R2.1613 O=Cc1cccc2c1cccc2 PI-32008 [0,1,0,0,0,0|1,0,1]=3 173 B13R2.1613 O=Cc1cccc2c1nccc2 PI-17901 [0,1,0,0,0,0|0,0,1]=2 174 B13R2.1613 O=Cc1cccc2c1nccn2 PI-17897 [0,1,0,0,0,0|1,0,1]=3 175 B13R2.4818 BrC1=CC=CC2=CC=CC(Br)=C12 PI-37115 [0,1,0,0,0,0|2,0,0]=3 176 B13R2.4818 Brc1cccc2ncnc(O)c12 PI-36123 [0,1,0,0,0,0|3,0,0]=4 177 B13R2.4818 CC1=C2C(=CC=CC2=CC=C1)C PI-25682 [0,1,0,0,0,0|2,0,0]=3 178 B13R2.4818 ClC1=C2C(Br)=CC=CC2=NC=C1 PI-46808 [0,1,0,0,0,0|3,0,0]=4 179 B13R2.4818 IC1=CC=CC2=CC=CC(Br)=C12 PI-41255 [0,1,0,0,0,0|2,0,0]=3 180 B13R2.4818 Ic1cccc2cccc(I)c12 PI-36825 [0,1,0,0,0,0|2,0,0]=3 181 B13R2.4818 NC1=C2C(Br)=CC=CC2=CC=C1 PI-39961 [0,1,0,0,0,0|2,0,0]=3 182 B13R2.4818 O=C1C=CNC2=C1C(Br)=CC=C2 PI-46701 [0,1,0,0,0,0|2,0,1]=4 183 B13R2.4818 O=C1C=CNC2=C1C(C)=CC=C2 PI-46703 [0,1,0,0,0,0|2,0,1]=4 184 B13R2.4818 Oc1cccc2c1c(O)ccc2 PI-32151 [0,1,0,0,0,0|1,0,0]=2 185 B13R2.4818 [O-][n+]1cccc2c1c(O)ccc2 PI-28056 [0,1,0,0,0,0|0,0,1]=2 186 B13R2.5179 BrC1=CC=C2C(=NC=CC2=C1)N PI-39738 [0,1,0,0,0,0|3,0,0]=4 187 B13R2.5179 BrC1=CC=C2C(=O)C=COC2=C1 PI-41814 [0,1,0,0,0,0|2,0,1]=4 188 B13R2.5179 BrC1=CC=C2C(NC=CC2=C1)=O PI-39739 [0,1,0,0,0,0|2,0,1]=4 189 B13R2.5179 C1=CC2=C(C=C1F)NC=CC2=O PI-29545 [0,1,0,0,0,0|2,0,1]=4 190 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)O PI-32101 [0,1,0,0,0,0|1,0,0]=2 191 B13R2.5179 C1=CC2=C(C=CNC2=O)C=C1F PI-48266 [0,1,0,0,0,0|2,0,1]=4 192 B13R2.5179 C1=CC2=CC(=CN=C2C(=C1)F)I PI-48867 [0,1,0,0,0,0|1,0,0]=2 193 B13R2.5179 C1=CC2=CC(=CN=C2C(=C1)N)Br PI-48534 [0,1,0,0,0,0|1,0,0]=2 194 B13R2.5179 C1CC(=O)NC2=C1C(=CC=C2)O PI-42918 [0,1,0,0,0,0|2,0,1]=4 195 B13R2.5179 CC1=CC2=C(C=C1)C(=NC=C2)Cl PI-34194 [0,1,0,0,0,0|3,0,0]=4 196 B13R2.5179 CC1=CC2=C(C=C1)C(=NC=C2)N PI-34195 [0,1,0,0,0,0|3,0,0]=4 197 B13R2.5179 CC1=CC2=CC=CC(=C2C=C1)C PI-25698 [0,1,0,0,0,0|2,0,0]=3 198 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 PI-37296 [0,1,0,0,0,0|3,0,0]=4 199 B13R2.5179 CC1=NC2=C(C=C1)C(=CC=C2)Cl PI-33672 [0,1,0,0,0,0|3,0,0]=4 200 B13R2.5179 ClC1=C2C=CC(Br)=CC2=NC=C1 PI-46698 [0,1,0,0,0,0|3,0,0]=4 201 B13R2.5179 Clc1ccc2c(c1)nccc2Cl PI-16432 [0,1,0,0,0,0|3,0,0]=4 202 B13R2.5179 Clc1ccc2c(c1)nccc2O PI-32129 [0,1,0,0,0,0|2,0,0]=3 203 B13R2.5179 Nc1ccc2c(O)cccc2c1 PI-18377 [0,1,0,0,0,0|1,0,0]=2 204 B13R2.5179 O=C1C=CNC2=C1C=CC(C)=C2 PI-46705 [0,1,0,0,0,0|2,0,1]=4 205 B13R2.5179 Oc1ccc2c(c1)cccc2N PI-18951 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.16 C=COC(=O)C1=CC=CC=C1 PI-44652 [0,0,1,0,0,0|2,0,1]=4 207 B11R1.17 C1=CC=C(C(=C1)\C=C\C=O)Br PI-46499 [0,0,1,0,0,0|3,0,0]=4 208 B11R1.17 C1=CC=C(C(=C1)\C=C\C=O)F PI-46537 [0,0,1,0,0,0|3,0,0]=4 209 B11R1.24 C1=CC(=CC(=C1)Br)\C=C\C=O PI-46500 [0,0,1,0,0,0|2,0,0]=3 210 B11R1.24 C1=CC(=CC(=C1)Cl)\C=C\C=O PI-46546 [0,0,1,0,0,0|2,0,0]=3 211 B11R1.24 O=C\C=C\C1=CC=CC(F)=C1 PI-46535 [0,0,1,0,0,0|2,0,0]=3 212 B11R1.53 B(C1=CC=CC=C1C=C)(O)O PI-25181 [0,0,1,0,0,0|3,0,0]=4 213 B11R1.53 O=Cc1ccccc1C(=O)O PI-36784 [0,0,1,0,0,0|3,0,0]=4 214 B11R2.1 C1=CC2=NC=C(N2N=C1)Br PI-45173 [0,0,0,0,1,0|3,0,0]=4 215 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [0,0,0,0,1,0|3,0,0]=4 216 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br PI-17445 [0,0,0,0,1,0|3,0,0]=4 217 B11R2.1 C1=CC=C2C(=C1)C(=CS2)Br PI-14249 [0,0,0,0,1,0|3,0,0]=4 218 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [0,0,0,0,1,0|2,0,0]=3 219 B11R2.1 C1=CC=C2C(=C1)C=CS2=O PI-14312 [0,0,0,0,1,0|2,0,1]=4 220 B11R2.1 C1C2=C(C(=O)O1)N=CC=C2 PI-40243 [0,0,0,0,1,0|1,0,2]=4 221 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [0,0,0,0,1,0|3,0,0]=4 222 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [0,0,0,0,1,0|3,0,0]=4 223 B11R2.1 Cn1ccc2ccccc12 PI-11080 [0,0,0,0,1,0|3,0,0]=4 224 B11R2.106 BrC1=CC=CC2=C1CC=C2 PI-40279 [0,0,0,0,1,0|1,0,1]=3 225 B11R2.106 BrC1=CC=CC2=NSN=C21 PI-39627 [0,0,0,0,1,0|3,0,0]=4 226 B11R2.106 BrC1=CN=CC2=C1C=CN2 PI-41835 [0,0,0,0,1,0|3,0,0]=4 227 B11R2.106 Brc1cccc2[nH]ccc12 PI-10309 [0,0,0,0,1,0|2,0,0]=3 228 B11R2.106 Brc1cccc2[nH]ncc12 PI-34921 [0,0,0,0,1,0|3,0,0]=4 229 B11R2.106 Brc1cccc2c1ccs2 PI-42863 [0,0,0,0,1,0|2,0,0]=3 230 B11R2.106 C1=C2C(=C(C=N1)Br)N=CN2 PI-45167 [0,0,0,0,1,0|3,0,0]=4 231 B11R2.106 C1=C2N=CC=C(N2N=C1)Cl PI-47336 [0,0,0,0,1,0|3,0,0]=4 232 B11R2.106 C1=CC(=C2C(=C1)SC=N2)F PI-45367 [0,0,0,0,1,0|2,0,0]=3 233 B11R2.106 C1=CC(=C2C(=C1)SC=N2)O PI-34818 [0,0,0,0,1,0|1,0,0]=2 234 B11R2.106 C1=CC(=C2C=CNC2=C1)N PI-16825 [0,0,0,0,1,0|2,0,0]=3 235 B11R2.106 C1=CC2=C(C(=C1)Br)N=CS2 PI-45382 [0,0,0,0,1,0|2,0,0]=3 236 B11R2.106 C1=CC2=C(C(=C1)Br)NC=C2 PI-10577 [0,0,0,0,1,0|1,0,1]=3 237 B11R2.106 C1=CC2=C(C(=C1)Br)NN=C2 PI-34894 [0,0,0,0,1,0|2,0,1]=4 238 B11R2.106 C1=CC2=C(C(=C1)Br)SC=C2 PI-45183 [0,0,0,0,1,0|2,0,0]=3 239 B11R2.106 C1=CC2=C(C(=C1)Br)SC=N2 PI-45072 [0,0,0,0,1,0|3,0,0]=4 240 B11R2.106 C1=CC2=C(C(=C1)Cl)N=CS2 PI-45364 [0,0,0,0,1,0|2,0,0]=3 241 B11R2.106 C1=CC2=C(C(=C1)Cl)NC=C2 PI-16827 [0,0,0,0,1,0|1,0,1]=3 242 B11R2.106 C1=CC2=C(C(=C1)Cl)NN=C2 PI-34897 [0,0,0,0,1,0|2,0,1]=4 243 B11R2.106 C1=CC2=C(C(=C1)Cl)SC=N2 PI-45366 [0,0,0,0,1,0|3,0,0]=4 244 B11R2.106 C1=CC2=C(C(=C1)N)C=N[NH]2 PI-34925 [0,0,0,0,1,0|3,0,0]=4 245 B11R2.106 C1=CC2=C(C(=C1)O)NC=C2 PI-11104 [0,0,0,0,1,0|0,0,1]=2 246 B11R2.106 C1=CC2=C(C(=C1)O)NN=C2 PI-34910 [0,0,0,0,1,0|1,0,1]=3 247 B11R2.106 C1=CC2=C(C=CN2)C(=C1)Cl PI-16268 [0,0,0,0,1,0|2,0,0]=3 248 B11R2.106 C1=CC2=C(C=CN2)C(=C1)F PI-16506 [0,0,0,0,1,0|2,0,0]=3 249 B11R2.106 C1=CC2=C(C=CS2)C(=C1)Cl PI-42667 [0,0,0,0,1,0|2,0,0]=3 250 B11R2.106 C1=CC2=C(C=NN2)C(=C1)Cl PI-34922 [0,0,0,0,1,0|3,0,0]=4 251 B11R2.106 C1=CC2=C(C=NN2)C(=C1)F PI-34923 [0,0,0,0,1,0|3,0,0]=4 252 B11R2.106 C1=CC2=C(C=NN2)C(=C1)I PI-34924 [0,0,0,0,1,0|3,0,0]=4 253 B11R2.106 C1=CC2=C(C=NN2)C(=C1)O PI-40522 [0,0,0,0,1,0|2,0,0]=3 254 B11R2.106 C1=CC2=NC=CN2C(=C1)N PI-45291 [0,0,0,0,1,0|3,0,0]=4 255 B11R2.106 C1=CC2=NON=C2C(=C1)N PI-14058 [0,0,0,0,1,0|3,0,0]=4 256 B11R2.106 C1=CC2=NSN=C2C(=C1)N PI-32091 [0,0,0,0,1,0|3,0,0]=4 257 B11R2.106 C1=CN=C2C=CSC2=C1Cl PI-44770 [0,0,0,0,1,0|3,0,0]=4 258 B11R2.106 C1=CNC2=NC=CC(=C21)Br PI-41225 [0,0,0,0,1,0|3,0,0]=4 259 B11R2.106 CC1=C2C(=CC=C1)SC=N2 PI-45359 [0,0,0,0,1,0|2,0,0]=3 260 B11R2.106 CC1=C2C=CNC2=CC=C1 PI-16828 [0,0,0,0,1,0|2,0,0]=3 261 B11R2.106 CC1=NC=CC2=C1C=CN2 PI-36983 [0,0,0,0,1,0|3,0,0]=4 262 B11R2.106 Cc1cccc2c1[nH]cc2 PI-16266 [0,0,0,0,1,0|1,0,1]=3 263 B11R2.106 Cc1cccc2c1[nH]cn2 PI-38923 [0,0,0,0,1,0|2,0,1]=4 264 B11R2.106 ClC1=NC=CC2=C1C=CO2 PI-37202 [0,0,0,0,1,0|3,0,0]=4 265 B11R2.106 ClC1=NC=CC2=C1N=C[NH]2 PI-41511 [0,0,0,0,1,0|3,0,0]=4 266 B11R2.106 Clc1ccnc2c1[nH]cc2 PI-38353 [0,0,0,0,1,0|2,0,1]=4 267 B11R2.106 Clc1ccnc2c1cc[nH]2 PI-35913 [0,0,0,0,1,0|3,0,0]=4 268 B11R2.106 Clc1nccc2[nH]ccc12 PI-34773 [0,0,0,0,1,0|3,0,0]=4 269 B11R2.106 Clc1nccc2ccsc12 PI-36074 [0,0,0,0,1,0|3,0,0]=4 270 B11R2.106 Fc1cccc2c1[nH]cc2 PI-16457 [0,0,0,0,1,0|1,0,1]=3 271 B11R2.106 Fc1cccn2ccnc12 PI-36254 [0,0,0,0,1,0|2,0,0]=3 272 B11R2.106 Ic1cccc2[nH]cnc12 PI-36396 [0,0,0,0,1,0|2,0,0]=3 273 B11R2.106 NC1=C2C(NC=N1)=CC=N2 PI-40254 [0,0,0,0,1,0|3,0,0]=4 274 B11R2.106 NC1=NC=CC2=C1N=CN2 PI-39703 [0,0,0,0,1,0|3,0,0]=4 275 B11R2.106 OC1=C2C(=NC=C1)[NH]C=C2 PI-40303 [0,0,0,0,1,0|2,0,0]=3 276 B11R2.106 OC1=C2N=NNC2=CC=C1 PI-20735 [0,0,0,0,1,0|2,0,0]=3 277 B11R2.106 OC1=CC=CN2C1=NC=C2 PI-46684 [0,0,0,0,1,0|1,0,0]=2 278 B11R2.106 Oc1cccc2[nH]ccc12 PI-16269 [0,0,0,0,1,0|1,0,0]=2 279 B11R2.106 Oc1ccnc2c1scc2 PI-38355 [0,0,0,0,1,0|2,0,0]=3 280 B10R1.2 O=Cc1cccc(O)c1O PI-21380 [1,0,1,0,0,0|2,0,0]=4 281 B10R1.4 C1=CC=C(C(=C1)C=NN)O PI-27488 [1,0,1,0,0,0|2,0,0]=4 282 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [1,0,1,0,0,0|0,0,1]=3 283 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [1,0,1,0,0,0|1,0,1]=4 284 B10R1.17 C=CCOc1ccccc1 PI-36466 [1,0,1,0,0,0|1,0,1]=4 285 B10R1.17 N#C\C=C\c1ccccc1 PI-12934 [1,0,1,0,0,0|0,0,2]=4 286 B10R1.61 OC(=O)c1ncccc1Br PI-28360 [1,0,1,0,0,0|2,0,0]=4 287 B10R1.61 OC(=O)c1ncccc1Cl PI-34714 [1,0,1,0,0,0|2,0,0]=4 288 B10R1.61 OC(=O)c1ncccc1F PI-34434 [1,0,1,0,0,0|2,0,0]=4 289 B10R1.61 OC(=O)c1ncccc1N PI-14129 [1,0,1,0,0,0|2,0,0]=4 290 B10R1.61 OC(=O)c1ncccc1O PI-16553 [1,0,1,0,0,0|2,0,0]=4 291 B10R1.245 O=CC1=C(O)C=CC=C1Br PI-37162 [1,0,1,0,0,0|2,0,0]=4 292 B10R1.245 O=Cc1c(O)cccc1Cl PI-27285 [1,0,1,0,0,0|2,0,0]=4 293 B10R1.245 O=Cc1c(O)cccc1F PI-27539 [1,0,1,0,0,0|2,0,0]=4 294 B10R1.245 O=Cc1c(O)cccc1O PI-39426 [1,0,1,0,0,0|2,0,0]=4 295 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O PI-11520 [0,1,1,0,0,0|2,0,0]=4 296 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O PI-11920 [0,1,1,0,0,0|2,0,0]=4 297 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O PI-31202 [0,1,1,0,0,0|2,0,0]=4 298 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O PI-11521 [0,1,1,0,0,0|1,0,0]=3 299 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O PI-30448 [0,1,1,0,0,0|2,0,0]=4 300 B12R1.226 OC(=O)\C=C\c1cccc(c1)Br PI-20686 [0,1,1,0,0,0|2,0,0]=4 301 B12R1.261 C1=CC(=C(N=C1)C(=O)O)C(=O)O PI-49438 [0,1,1,0,0,0|2,0,0]=4 302 B12R1.261 O=C(C1=NC=CC=C1C(O)=O)O PI-16406 [0,1,1,0,0,0|2,0,0]=4 303 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 PI-41127 [1,1,0,0,0,0|0,0,0]=2 304 B12R2.24 Brc1ccc2c(c1)ccnc2 PI-17753 [1,1,0,0,0,0|2,0,0]=4 305 B12R2.24 Brc1ccc2c(c1)nccn2 PI-38987 [1,1,0,0,0,0|1,0,0]=3 306 B12R2.24 Brc1ccc2ccccc2c1 PI-11812 [1,1,0,0,0,0|1,0,0]=3 307 B12R2.24 C1=CC(=CC2=C1C=CN=C2)O PI-17780 [1,1,0,0,0,0|2,0,0]=4 308 B12R2.24 C1=CC(=NC2=C1C=NC=C2)N PI-48335 [1,1,0,0,0,0|1,0,0]=3 309 B12R2.24 C1=CC(=NC2=NC=CN=C21)N PI-34762 [1,1,0,0,0,0|2,0,0]=4 310 B12R2.24 C1=CC2=C(C=C(C=C2)N)N=C1 PI-45912 [1,1,0,0,0,0|0,0,0]=2 311 B12R2.24 C1=CC2=C(C=CC(=C2)Br)N=C1 PI-29666 [1,1,0,0,0,0|0,0,0]=2 312 B12R2.24 C1=CC2=C(C=CC(=C2)Cl)N=C1 PI-11112 [1,1,0,0,0,0|0,0,0]=2 313 B12R2.24 C1=CC2=C(C=CC(=N2)Cl)N=C1 PI-45472 [1,1,0,0,0,0|1,0,0]=3 314 B12R2.24 C1=CC2=C(C=CN=C2)C=C1N PI-48190 [1,1,0,0,0,0|2,0,0]=4 315 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [1,1,0,0,0,0|2,0,0]=4 316 B12R2.24 C1=CC2=NC=C(C=C2N=C1)I PI-45476 [1,1,0,0,0,0|1,0,0]=3 317 B12R2.24 C1=CC2=NC=C(C=C2N=C1)N PI-45475 [1,1,0,0,0,0|1,0,0]=3 318 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br PI-16426 [1,1,0,0,0,0|0,0,0]=2 319 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O PI-35162 [1,1,0,0,0,0|0,0,0]=2 320 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Br PI-29304 [1,1,0,0,0,0|0,0,0]=2 321 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)N PI-11108 [1,1,0,0,0,0|0,0,0]=2 322 B12R2.24 C1=CC=C2C(=C1)C=CC(=S)N2 PI-29414 [1,1,0,0,0,0|0,0,1]=3 323 B12R2.24 C1=CC=C2C(=C1)N=CC(=N2)Cl PI-49348 [1,1,0,0,0,0|1,0,0]=3 324 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [1,1,0,0,0,0|1,0,0]=3 325 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl PI-24669 [1,1,0,0,0,0|1,0,0]=3 326 B12R2.24 C1=CC=C2C=[N+](C=CC2=C1)[O-] PI-17902 [1,1,0,0,0,0|2,0,0]=4 327 B12R2.24 C1=CN=C2C(=N1)C=C(C=N2)Br PI-29655 [1,1,0,0,0,0|2,0,0]=4 328 B12R2.24 CC1=CC2=CC=CC=C2N=C1 PI-16429 [1,1,0,0,0,0|0,0,0]=2 329 B12R2.24 CC1=CC2=NC=CN=C2C=C1 PI-33134 [1,1,0,0,0,0|1,0,0]=3 330 B12R2.24 CC1=CC=C2N=CC=CC2=N1 PI-40595 [1,1,0,0,0,0|1,0,0]=3 331 B12R2.24 Cc1ccc2c(n1)cccc2 PI-11867 [1,1,0,0,0,0|0,0,0]=2 332 B12R2.24 Clc1ccc2ccccc2n1 PI-16418 [1,1,0,0,0,0|0,0,0]=2 333 B12R2.24 FC1=CC=C2C=CC=CC2=C1 PI-37208 [1,1,0,0,0,0|1,0,0]=3 334 B12R2.24 Ic1ccc2c(c1)cccc2 PI-18754 [1,1,0,0,0,0|1,0,0]=3 335 B12R2.24 NC1=NC=C2C=CC=CC2=N1 PI-46795 [1,1,0,0,0,0|1,0,0]=3 336 B12R2.24 Nc1ccc2c(c1)cccc2 PI-25969 [1,1,0,0,0,0|1,0,0]=3 337 B12R2.24 Nc1ccc2c(c1)cccn2 PI-29716 [1,1,0,0,0,0|0,0,0]=2 338 B12R2.24 Nc1ccc2c(c1)nccn2 PI-33792 [1,1,0,0,0,0|1,0,0]=3 339 B12R2.24 Nc1cnc2ccccc2c1 PI-29717 [1,1,0,0,0,0|0,0,0]=2 340 B12R2.24 Nc1ncc2ccccc2c1 PI-14103 [1,1,0,0,0,0|2,0,0]=4 341 B12R2.24 Oc1ccc2c(c1)cccn2 PI-11465 [1,1,0,0,0,0|0,0,0]=2 342 B12R2.24 Oc1ccc2c(c1)nccc2 PI-12046 [1,1,0,0,0,0|0,0,0]=2 343 B12R2.24 Oc1ccc2c(n1)cccc2 PI-17352 [1,1,0,0,0,0|0,0,0]=2 344 B12R2.24 Oc1ccc2cnccc2c1 PI-34184 [1,1,0,0,0,0|2,0,0]=4 345 B12R2.24 SC1=CC=C2C=CC=CC2=C1 PI-25970 [1,1,0,0,0,0|1,0,0]=3 346 B12R2.1 OCc1c[nH]c2c1cccc2 PI-16182 [0,1,0,0,1,0|2,0,0]=4 347 B12R2.2028 C1=CC2=C(C(=O)OC2=O)N=C1 PI-16702 [0,1,0,0,1,0|1,0,1]=4 348 B12R2.202 C1=CC(=C2C(=C1)SC(=N2)Cl)F PI-45320 [0,1,0,0,1,0|2,0,0]=4 349 B12R2.202 C1=CC(=C2C(=C1)SC(=N2)N)F PI-45305 [0,1,0,0,1,0|2,0,0]=4 350 B12R2.202 C1=CC2=C(C(=C1)Cl)N=C(S2)Cl PI-45318 [0,1,0,0,1,0|2,0,0]=4 351 B12R2.202 C1=CC2=C(C(=C1)Cl)N=C(S2)N PI-30271 [0,1,0,0,1,0|2,0,0]=4 352 B12R2.202 C1=CC2=C(C(=C1)Cl)N=C(S2)N PI-45315 [0,1,0,0,1,0|2,0,0]=4 353 B12R2.202 CC1=C2C(=CC=C1)SC(=N2)C PI-45361 [0,1,0,0,1,0|2,0,0]=4 354 B12R2.202 CC1=C2C(=CC=C1)SC(=N2)Cl PI-45326 [0,1,0,0,1,0|2,0,0]=4 355 B12R2.202 CC1=CC2=C(N1)C=CC=C2O PI-18492 [0,1,0,0,1,0|1,0,0]=3 356 B12R2.202 CC=1CC2=C(C1)C(=CC=C2)Br PI-40277 [0,1,0,0,1,0|1,0,1]=4 357 B12R2.202 CC=1CC2=C(C1)C=CC=C2Br PI-40278 [0,1,0,0,1,0|1,0,1]=4 358 B12R2.202 CN1C=C2C=CC=C(C2=N1)N PI-34895 [0,1,0,0,1,0|2,0,0]=4 359 B12R2.202 FC1=C2C(NC(Cl)=N2)=CC=C1 PI-46690 [0,1,0,0,1,0|2,0,0]=4 360 B12R2.202 Nc1sc2c(n1)c(C)ccc2 PI-11118 [0,1,0,0,1,0|2,0,0]=4 361 B12R2.202 Oc1sc2c(n1)c(Cl)ccc2 PI-11976 [0,1,0,0,1,0|2,0,0]=4 362 B12R2.246 C1=CNC2=C1C(=CC(=C2)F)F PI-10576 [0,1,0,0,1,0|2,0,0]=4 363 B12R2.246 Clc1cc(C)c2nc[nH]c2c1 PI-36369 [0,1,0,0,1,0|2,0,0]=4 364 B12R2.315 C1=CC(=C2C=CNC2=C1)C=O PI-10831 [0,1,0,0,1,0|1,0,1]=4 365 B12R2.315 C1=CC(=C2C=CNC2=C1)CO PI-25038 [0,1,0,0,1,0|1,0,0]=3 366 B12R2.315 C1=CC2=C(C(=C1)C=O)NC=C2 PI-16183 [0,1,0,0,1,0|0,0,2]=4 367 B12R2.315 C1=CC2=C(C(=C1)CO)NC=C2 PI-25039 [0,1,0,0,1,0|0,0,1]=3 368 B12R2.315 CCc1cccc2c1[nH]cc2 PI-16824 [0,1,0,0,1,0|1,0,1]=4 369 B12R2.315 COC1=CC=CC2=C1C=CN2 PI-16821 [0,1,0,0,1,0|1,0,0]=3 370 B12R2.315 COC1=CC=CC2=C1NC=C2 PI-16822 [0,1,0,0,1,0|0,0,1]=3 371 B12R2.315 COC1=CC=CC2=C1OC=C2 PI-19860 [0,1,0,0,1,0|1,0,0]=3 372 B12R2.315 COc1cccc2cn[nH]c12 PI-36375 [0,1,0,0,1,0|1,0,1]=4 373 B12R2.315 N#Cc1cccc2[nH]ccc12 PI-10830 [0,1,0,0,1,0|2,0,0]=4 374 B14R2.92 C1=CC=C2C(=C1)C=CC(=C2Br)C=O PI-46886 [0,2,0,0,0,0|2,0,0]=4 375 B14R2.92 C1=CC=C2C(=C1)C=CC(=C2Br)CBr PI-18509 [0,2,0,0,0,0|2,0,0]=4 376 B14R2.92 C1=CC=C2C(=C1)C=CC(=C2O)N=O PI-18151 [0,2,0,0,0,0|1,0,0]=3 377 B14R2.92 COc1ccc2ccccc2c1Br PI-18479 [0,2,0,0,0,0|2,0,0]=4 378 B14R2.203 CC1=C(C2=CC=CC=C2C=C1)CCl PI-25775 [0,2,0,0,0,0|2,0,0]=4 379 B14R2.203 O=Cc1c(O)ccc2c1cccc2 PI-32015 [0,2,0,0,0,0|1,0,1]=4 380 B14R2.203 O=Nc1c(O)ccc2ccccc12 PI-10563 [0,2,0,0,0,0|1,0,1]=4 381 B14R2.4513 C1=CC(=CC2=C1C=CC(=C2F)F)O PI-34367 [0,2,0,0,0,0|2,0,0]=4 382 B14R2.4513 O=c1ccc2c(o1)c(O)c(cc2)O PI-12766 [0,2,0,0,0,0|1,0,0]=3 383 B14R2.7724 Brc1cc(Br)c2c(c1O)nccc2 PI-33033 [0,2,0,0,0,0|0,0,0]=2 384 B14R2.7724 Brc1cc(Cl)c2cccnc2c1O PI-29908 [0,2,0,0,0,0|0,0,0]=2 385 B14R2.7724 C1=CC=C2C(=C1)C(=CC(=C2O)Br)Br PI-18316 [0,2,0,0,0,0|1,0,0]=3 386 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O PI-44841 [0,2,0,0,0,0|1,0,1]=4 387 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O PI-44865 [0,2,0,0,0,0|1,0,1]=4 388 B14R2.7724 CN1C2=CC=CC=C2C(=CC1=O)O PI-30202 [0,2,0,0,0,0|2,0,0]=4 389 B14R2.7724 Ic1cc(Cl)c2cccnc2c1O PI-13586 [0,2,0,0,0,0|0,0,0]=2 390 B14R2.7724 O=C1C(O)=CC(C2=C1C=CC=C2)=O PI-41645 [0,2,0,0,0,0|1,0,1]=4 391 B14R2.7724 OC1=C2N=CC=CC2=C(Cl)C=C1Cl PI-33032 [0,2,0,0,0,0|0,0,0]=2 392 B14R2.8188 C1=CC=C2C(=C1)C(=C(C(=O)N2)Cl)O PI-32633 [0,2,0,0,0,0|2,0,0]=4 393 B14R2.29369 Brc1ccc2c(c1)ccc(c2Br)O PI-18231 [0,2,0,0,0,0|2,0,0]=4 394 B14R2.29369 C1=CC2=C(C=CC(=C2F)F)C=C1O PI-34366 [0,2,0,0,0,0|2,0,0]=4 395 B14R2.142 C1=CC2=C(C(=C1)O)N=C(C=C2)C=O PI-29143 [0,2,0,0,0,0|0,0,0]=2 396 B14R2.8045 C1=CC2=C(C(=C1)F)N=C(N=C2N)Cl PI-36211 [0,2,0,0,0,0|2,0,0]=4 397 B14R2.8045 C1=CC2=C(C(=C1)I)N=C(N=C2Cl)Cl PI-36223 [0,2,0,0,0,0|2,0,0]=4 398 B14R2.8045 C1=CC2=C(C(=C1)I)N=C(N=C2N)Cl PI-36213 [0,2,0,0,0,0|2,0,0]=4 399 B14R2.8045 CC1=C2C(=CC=C1)C(=CC(=N2)C)Cl PI-29483 [0,2,0,0,0,0|1,0,0]=3 400 B14R2.8045 CC1=C2C(=CC=C1)C(=CC(=N2)Cl)C PI-35443 [0,2,0,0,0,0|1,0,0]=3 401 B14R2.8045 CC1=C2C(=CC=C1)C(=O)C=C(N2)C PI-29160 [0,2,0,0,0,0|1,0,1]=4 402 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)Br)N PI-50068 [0,2,0,0,0,0|1,0,0]=3 403 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)F)Cl PI-29279 [0,2,0,0,0,0|1,0,0]=3 404 B14R2.8045 Clc1nc(Cl)c2cccc(Cl)c2n1 PI-36226 [0,2,0,0,0,0|2,0,0]=4 405 B14R2.8045 Clc1nc(Cl)c2cccc(F)c2n1 PI-36140 [0,2,0,0,0,0|2,0,0]=4 406 B14R2.8045 Clc1nc(N)c2cccc(Br)c2n1 PI-36212 [0,2,0,0,0,0|2,0,0]=4 407 B14R2.8235 Brc1ccc2c(c1)c(O)cc(=O)o2 PI-15397 [0,2,0,0,0,0|2,0,0]=4 408 B14R2.8235 CC1=CC2=C(C=C1)OC(=O)C=C2O PI-15406 [0,2,0,0,0,0|2,0,0]=4 409 B14R2.8235 Clc1ccc2c(c1)c(O)cc(=O)o2 PI-15400 [0,2,0,0,0,0|2,0,0]=4 410 B14R2.8235 Fc1ccc2c(c1)c(O)cc(n2)C PI-29166 [0,2,0,0,0,0|2,0,0]=4 411 B14R2.11684 BrCc1cccc2ccc(F)cc12 PI-35152 [0,2,0,0,0,0|2,0,0]=4 412 B14R2.11684 CC1=NC2=C(C=CC=C2OC)C=C1 PI-25421 [0,2,0,0,0,0|0,0,0]=2 413 B14R2.28472 CC1=C2C=C(C(=CC2=CC=C1)C)C PI-18357 [0,2,0,0,0,0|2,0,0]=4 414 B14R2.1019 COC1=CC2=CC=CC=C2C(=C1)O PI-45481 [0,2,0,0,0,0|1,0,0]=3 415 B14R2.1019 COc1cc(N)c2c(c1)cccn2 PI-10318 [0,2,0,0,0,0|1,0,0]=3 416 B14R2.1078 COC1=CC=CC2=C(C=CN=C21)Cl PI-25230 [0,2,0,0,0,0|0,0,0]=2 417 B14R2.1078 COC1=CC=CC2=C(C=CN=C21)N PI-18348 [0,2,0,0,0,0|0,0,0]=2 418 B14R2.1078 COc1cccc2c(=O)[nH]cnc12 PI-36219 [0,2,0,0,0,0|1,0,0]=3 419 B14R2.1078 COc1cccc2c1nccc2Br PI-18056 [0,2,0,0,0,0|0,0,0]=2 420 B14R2.1131 C1=CC=C2C(=C1)C(=CC=C2N)C#N PI-25711 [0,2,0,0,0,0|2,0,0]=4 421 B14R2.1131 COC1=C2C=CC=CC2=C(Br)C=N1 PI-46702 [0,2,0,0,0,0|2,0,0]=4 422 B14R2.1131 COC1=C2C=CC=NC2=C(C=C1)N PI-25423 [0,2,0,0,0,0|1,0,0]=3 423 B14R2.1131 CSc1ccc(F)c2ccccc12 PI-23796 [0,2,0,0,0,0|1,1,0]=4 424 B14R2.1131 ClCc1ccc(O)c2ncccc12 PI-36886 [0,2,0,0,0,0|0,0,0]=2 425 B14R2.1131 N#CC1=C2C=CC=CC2=C(Br)C=C1 PI-40559 [0,2,0,0,0,0|2,0,0]=4 426 B14R2.1131 O=Cc1ccc(C)c2ccccc12 PI-24331 [0,2,0,0,0,0|1,0,1]=4 427 B14R2.1131 OC1=C2C=CC=CC2=C(OC)C=C1 PI-25872 [0,2,0,0,0,0|1,0,0]=3 428 B14R2.1073 COC1=C2C=CC(=CC2=NC=C1)Br PI-50018 [0,2,0,0,0,0|2,0,0]=4 429 B14R2.7150 C1=CC=C2C(=C1)C=CC=C2CC#N PI-32011 [0,2,0,0,0,0|2,0,0]=4 430 B14R2.7150 C1=CC=C2C(=C1)C=CC=C2CCBr PI-18164 [0,2,0,0,0,0|2,0,0]=4 431 B14R2.7150 C1=CC=C2C(=C1)C=CC=C2N=C=O PI-25914 [0,2,0,0,0,0|1,0,1]=4 432 B14R2.7150 C1=CC=CC2=CC=CC(=C12)CCO PI-25835 [0,2,0,0,0,0|1,0,0]=3 433 B14R2.7150 C=CCC1=CC=CC2=CC=CC=C21 PI-18395 [0,2,0,0,0,0|2,0,0]=4 434 B14R2.7150 CNCC1=CC=CC2=CC=CC=C21 PI-12669 [0,2,0,0,0,0|2,0,0]=4 435 B14R2.7150 CNCC1=CC=CC2=CC=CC=C21 PI-16005 [0,2,0,0,0,0|2,0,0]=4 436 B14R2.7150 S=C=Nc1cccc2c1cccc2 PI-14577 [0,2,0,0,0,0|1,1,0]=4 437 B14R2.11635 COC1=CC=CC2=C1C(=O)C=CN2 PI-18793 [0,2,0,0,0,0|2,0,0]=4 438 B14R2.31359 B(C1=C2C=CC=NC2=CC=C1)(O)O PI-25482 [0,2,0,0,0,0|2,0,0]=4 439 B14R2.31359 B(C1=C2C=CN=CC2=CC=C1)(O)O PI-17894 [0,2,0,0,0,0|2,0,0]=4 440 B14R2.31359 C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2 PI-28678 [0,2,0,0,0,0|0,0,1]=3 441 B14R2.31359 C1=CC2=C(C=CN=C2)C(=C1)C(=O)O PI-17900 [0,2,0,0,0,0|2,0,0]=4 442 B14R2.31359 C1=CC=C2C(=C1)C(=CC=N2)C(=O)O PI-12014 [0,2,0,0,0,0|2,0,0]=4 443 B14R2.31359 C1=CC=C2C(=C1)C=CC=C2C(=O)Cl PI-13187 [0,2,0,0,0,0|1,0,1]=4 444 B14R2.31359 C1=CC=C2C(=C1)C=CC=C2C(=O)N PI-14568 [0,2,0,0,0,0|1,0,1]=4 445 B14R2.31359 C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-] PI-48542 [0,2,0,0,0,0|1,0,1]=4 446 B14R2.31359 C1=CC=C2C(=C1)C=NC=C2C(=O)O PI-50021 [0,2,0,0,0,0|2,0,0]=4 447 B14R2.31359 CC(C)C1=CC=CC2=CC=CC=C21 PI-18760 [0,2,0,0,0,0|2,0,0]=4 448 B14R2.31359 CC(C1=C2C=CC=CC2=CC=C1)=O PI-33670 [0,2,0,0,0,0|1,0,1]=4 449 B14R2.31359 CC(C1=CC=CC2=CC=CC=C21)N PI-25560 [0,2,0,0,0,0|2,0,0]=4 450 B14R2.31359 CC(C1=CC=CC2=CC=CC=C21)O PI-18216 [0,2,0,0,0,0|1,0,0]=3 451 B14R2.31359 CC(C1=CC=CC2=CC=CC=C21)O PI-42551 [0,2,0,0,0,0|1,0,0]=3 452 B14R2.31359 CN(C)C1=C2C=CC=CC2=CC=C1 PI-13031 [0,2,0,0,0,0|2,0,0]=4 453 B14R2.31359 C[C@@H](N)c1cccc2ccccc12 PI-18515 [0,2,0,0,0,0|2,0,0]=4 454 B14R2.31359 C[C@@H](O)C1=CC=CC2=C1C=CC=C2 PI-42553 [0,2,0,0,0,0|1,0,0]=3 455 B14R2.31359 C[C@@H](c1cccc2c1cccc2)N PI-18066 [0,2,0,0,0,0|2,0,0]=4 456 B14R2.31359 OB(O)c1ccnc2ccccc12 PI-36503 [0,2,0,0,0,0|2,0,0]=4 457 B14R2.31359 OB(c1cccc2c1cccc2)O PI-10299 [0,2,0,0,0,0|1,0,0]=3 458 B14R2.31359 OB(c1cccc2c1nccc2)O PI-16524 [0,2,0,0,0,0|0,0,0]=2 459 B14R2.31359 OB(c1cncc2c1cccc2)O PI-25290 [0,2,0,0,0,0|2,0,0]=4 460 B14R2.31359 OC(=O)c1cccc2c1nccc2 PI-12050 [0,2,0,0,0,0|0,0,0]=2 461 B14R2.31359 OC(=O)c1cccc2ccccc12 PI-32009 [0,2,0,0,0,0|1,0,0]=3 462 B14R2.31359 OC(=O)c1cccc2ncccc12 PI-29885 [0,2,0,0,0,0|2,0,0]=4 463 B14R2.31359 OC(=O)c1nccc2c1cccc2 PI-20315 [0,2,0,0,0,0|2,0,0]=4 464 B14R2.1801 C1=CC2=CC(=CN=C2C(=C1)F)C#N PI-48868 [0,2,0,0,0,0|1,0,0]=3 465 B14R2.1801 COC1=CC2=C(C=C1)C(=CC=C2)O PI-18360 [0,2,0,0,0,0|1,0,0]=3 466 B14R2.1801 COC1=CC2=NC=CC(Cl)=C2N=C1 PI-40518 [0,2,0,0,0,0|2,0,0]=4 467 B14R2.1801 COc1ccc2c(O)ccnc2c1 PI-25854 [0,2,0,0,0,0|2,0,0]=4 468 B14R2.1801 O=C1C=CNC2=CC(OC)=CN=C12 PI-40519 [0,2,0,0,0,0|1,0,1]=4 469 B12R2.2 C1=CC=C(C=C1)C2=CC=CS2 PI-11147 [0,0,1,1,0,0|1,1,0]=4 470 B12R2.2 C1=CC=NC(=C1)C2=CC=CS2 PI-29489 [0,0,1,1,0,0|0,1,0]=3 471 B12R2.2 C1=CC=NC(=C1)C2=NC=CN2 PI-45290 [0,0,1,1,0,0|2,0,0]=4 472 B12R2.2 c1ccc(nc1)c2n[nH]cc2 PI-38818 [0,0,1,1,0,0|2,0,0]=4 473 B12R2.32 C1=CC=C2C(=C1)C=C(O2)C=O PI-16469 [0,0,1,1,0,0|2,0,0]=4 474 B12R2.32 C1=CC=C2C(=C1)N=C(S2)C=O PI-14166 [0,0,1,1,0,0|1,1,0]=4 475 B12R2.32 CSC1=NC2=CC=CC=C2O1 PI-33936 [0,0,1,1,0,0|1,0,1]=4 476 B12R2.32 O=Cc1nc2c([nH]1)cccc2 PI-14803 [0,0,1,1,0,0|2,0,0]=4 477 B14R3.164 C1=CC2=C3C(=C1)C=CC3=CC=C2 PI-24218 [0,1,0,1,0,0|2,0,0]=4 478 B10R2.7 C1=CC2=NC=CN2C=C1 PI-45016 [1,0,0,0,1,0|1,0,0]=3 479 B10R2.7 C1=CC2=NC=CN2N=C1 PI-13527 [1,0,0,0,1,0|2,0,0]=4 480 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [1,0,0,0,1,0|0,0,1]=3 481 B10R2.7 C1=CC=C2C(=C1)N=CO2 PI-47002 [1,0,0,0,1,0|1,0,0]=3 482 B10R2.7 C1=CC=C2C(=C1)SC=[S+]2 PI-14799 [1,0,0,0,1,0|2,0,0]=4 483 B10R2.7 C1=CN2C=CN=C2C=N1 PI-50075 [1,0,0,0,1,0|2,0,0]=4 484 B10R2.7 C1=CN2C=CN=C2N=C1 PI-33689 [1,0,0,0,1,0|2,0,0]=4 485 B10R2.7 C1=C[NH]C2=C1C=CN=C2 PI-10410 [1,0,0,0,1,0|1,0,1]=4 486 B10R2.7 C1=C[NH]C2=C1C=NC=C2 PI-10409 [1,0,0,0,1,0|1,0,1]=4 487 B10R2.7 c1ccc2c(c1)[nH]cn2 PI-31348 [1,0,0,0,1,0|1,0,0]=3 488 B10R2.7 c1ccc2c(c1)[nH]nc2 PI-31379 [1,0,0,0,1,0|1,0,1]=4 489 B10R2.7 c1ccc2c(c1)non2 PI-38745 [1,0,0,0,1,0|2,0,0]=4 490 B10R2.7 c1ccc2ccsc2c1 PI-14247 [1,0,0,0,1,0|1,0,0]=3 491 B10R2.7 c1ccc2cncn2c1 PI-36857 [1,0,0,0,1,0|2,0,0]=4 492 B10R2.7 c1ccc2nsnc2c1 PI-11675 [1,0,0,0,1,0|2,0,0]=4 493 B10R2.7 c1cnc2[nH]ccc2c1 PI-16515 [1,0,0,0,1,0|1,0,0]=3 494 B10R2.7 c1cnc2c(c1)[nH]cc2 PI-10408 [1,0,0,0,1,0|1,0,0]=3 495 B10R2.7 c1ncc2cc[nH]c2n1 PI-36490 [1,0,0,0,1,0|2,0,0]=4 496 B10R2.7 c1ncc2sccc2c1 PI-36075 [1,0,0,0,1,0|2,0,0]=4