0 B11R2.106 Brc1cccc2[nH]ccc12 PI-10309 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.106 Brc1cccc2[nH]ncc12 PI-34921 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.106 C1=CC(=C2C=CNC2=C1)N PI-16825 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.106 C1=CC2=C(C(=C1)N)C=N[NH]2 PI-34925 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.106 C1=CC2=C(C(=C1)O)NN=C2 PI-34910 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.106 C1=CC2=C(C=CN2)C(=C1)Cl PI-16268 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.106 C1=CC2=C(C=CN2)C(=C1)F PI-16506 [0,0,0,0,0,0|4,0,0]=4 7 B11R2.106 C1=CC2=C(C=NN2)C(=C1)Cl PI-34922 [0,0,0,0,0,0|3,0,0]=3 8 B11R2.106 C1=CC2=C(C=NN2)C(=C1)F PI-34923 [0,0,0,0,0,0|3,0,0]=3 9 B11R2.106 C1=CC2=C(C=NN2)C(=C1)I PI-34924 [0,0,0,0,0,0|3,0,0]=3 10 B11R2.106 C1=CC2=C(C=NN2)C(=C1)O PI-40522 [0,0,0,0,0,0|2,0,0]=2 11 B11R2.106 C1=CN=C2C(=C1Br)C=NN2 PI-34862 [0,0,0,0,0,0|2,0,0]=2 12 B11R2.106 C1=CNC2=NC=CC(=C21)Br PI-41225 [0,0,0,0,0,0|3,0,0]=3 13 B11R2.106 C1=CSC2=C1C(=NC=N2)Cl PI-20241 [0,0,0,0,0,0|3,0,0]=3 14 B11R2.106 C1=CSC2=C1C(=S)NC=N2 PI-50034 [0,0,0,0,0,0|2,1,1]=4 15 B11R2.106 C1=NC2=C(N1)C(=NC=N2)Br PI-42494 [0,0,0,0,0,0|3,0,1]=4 16 B11R2.106 C1=NC2=C(N1)C(=NC=N2)Cl PI-18076 [0,0,0,0,0,0|3,0,1]=4 17 B11R2.106 C1=NC2=NC=NC(=C2N1)N PI-11259 [0,0,0,0,0,0|3,0,1]=4 18 B11R2.106 C1=NC2=NC=NC(=C2N1)N PI-18618 [0,0,0,0,0,0|3,0,1]=4 19 B11R2.106 C1=NC2=NNN=C2C(=N1)N PI-10552 [0,0,0,0,0,0|2,0,2]=4 20 B11R2.106 CC1=C2C=CNC2=CC=C1 PI-16828 [0,0,0,0,0,0|4,0,0]=4 21 B11R2.106 CC1=NC=CC2=C1C=CN2 PI-36983 [0,0,0,0,0,0|3,0,0]=3 22 B11R2.106 ClC1=C2C(NN=C2)=NC=N1 PI-37290 [0,0,0,0,0,0|1,0,0]=1 23 B11R2.106 ClC1=NC=CC2=C1C=CO2 PI-37202 [0,0,0,0,0,0|4,0,0]=4 24 B11R2.106 ClC1=NC=CC2=C1N=C[NH]2 PI-41511 [0,0,0,0,0,0|4,0,0]=4 25 B11R2.106 ClC1=NC=NC2=C1[NH]C=C2 PI-36967 [0,0,0,0,0,0|4,0,0]=4 26 B11R2.106 Clc1ccnc2c1cc[nH]2 PI-35913 [0,0,0,0,0,0|3,0,0]=3 27 B11R2.106 Clc1ccnc2c1cn[nH]2 PI-38681 [0,0,0,0,0,0|2,0,0]=2 28 B11R2.106 Clc1nccc2[nH]ccc12 PI-34773 [0,0,0,0,0,0|3,0,0]=3 29 B11R2.106 Clc1nccc2c1cn[nH]2 PI-39109 [0,0,0,0,0,0|2,0,0]=2 30 B11R2.106 Clc1ncnc2c1cc[nH]2 PI-33955 [0,0,0,0,0,0|2,0,0]=2 31 B11R2.106 Clc1ncnc2ccsc12 PI-20242 [0,0,0,0,0,0|4,0,0]=4 32 B11R2.106 NC1=NC=CC2=C1N=CN2 PI-39703 [0,0,0,0,0,0|4,0,0]=4 33 B11R2.106 NC1N=CN=C2N=NC=C12 PI-17544 [0,0,0,0,0,0|1,0,2]=3 34 B11R2.106 Nc1ncnc2c1cn[nH]2 PI-38302 [0,0,0,0,0,0|1,0,0]=1 35 B11R2.106 Nc1ncnc2c1nc[nH]2 PI-18440 [0,0,0,0,0,0|3,0,0]=3 36 B11R2.106 Nc1ncnc2c1nc[nH]2 PI-18456 [0,0,0,0,0,0|3,0,0]=3 37 B11R2.106 Nc1ncnc2nc[nH]c12 PI-18863 [0,0,0,0,0,0|3,0,1]=4 38 B11R2.106 O=C1C=2C=CSC2N=CN1 PI-46691 [0,0,0,0,0,0|2,0,2]=4 39 B11R2.106 O=c1[nH]cnc2c1cc[nH]2 PI-34761 [0,0,0,0,0,0|1,0,2]=3 40 B11R2.106 OC1=C2C(=NC=C1)[NH]C=C2 PI-40303 [0,0,0,0,0,0|2,0,0]=2 41 B11R2.106 OC1=C2N=NNC2=CC=C1 PI-20735 [0,0,0,0,0,0|3,0,0]=3 42 B11R2.106 Oc1cccc2[nH]ccc12 PI-16269 [0,0,0,0,0,0|3,0,0]=3 43 B11R2.106 Oc1ccnc2c1scc2 PI-38355 [0,0,0,0,0,0|4,0,0]=4 44 B11R2.106 Oc1ncnc2[nH]ncc12 PI-11174 [0,0,0,0,0,0|0,0,0]=0 45 B11R2.106 S=c1[nH]cnc2c1nc[nH]2 PI-11359 [0,0,0,0,0,0|2,1,1]=4 46 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [1,0,0,0,0,0|3,0,0]=4 47 B10R2.7 C1=CN=CC2=C1C=NN2 PI-50033 [1,0,0,0,0,0|3,0,0]=4 48 B10R2.7 C1=C[NH]C2=C1C=NC=C2 PI-10409 [1,0,0,0,0,0|2,0,0]=3 49 B10R2.7 c1ccc2c(c1)[nH]nc2 PI-31379 [1,0,0,0,0,0|2,0,0]=3 50 B10R2.7 c1cnc2[nH]ccc2c1 PI-16515 [1,0,0,0,0,0|2,0,0]=3 51 B10R2.7 c1ncc2c(n1)[nH]cn2 PI-38461 [1,0,0,0,0,0|2,0,0]=3 52 B10R2.7 c1ncc2cc[nH]c2n1 PI-36490 [1,0,0,0,0,0|1,0,0]=2 53 B12R2.196 CN1C2=C(C=N1)C(=CC=C2)Cl PI-34935 [0,1,0,0,0,0|3,0,0]=4 54 B12R2.196 CN1C2=C(C=N1)C(=CC=C2)F PI-34937 [0,1,0,0,0,0|3,0,0]=4 55 B12R2.196 CN1C2=C(C=N1)C(=CC=C2)I PI-34936 [0,1,0,0,0,0|3,0,0]=4 56 B12R2.196 CN1C2=CC=CC(=C2C=N1)N PI-34933 [0,1,0,0,0,0|3,0,0]=4 57 B12R2.196 CN1C=NC2=C(N=CN=C21)N PI-42503 [0,1,0,0,0,0|3,0,0]=4 58 B12R2.196 CN1N=CC2=C(Br)C=CC=C12 PI-34934 [0,1,0,0,0,0|3,0,0]=4 59 B12R2.202 C1=C(NC2=C1C(=NC=N2)Cl)I PI-49461 [0,1,0,0,0,0|2,0,0]=3 60 B12R2.202 CC1=CC2=C(N1)C=CC=C2O PI-18492 [0,1,0,0,0,0|3,0,0]=4 61 B12R2.202 ClC1=C2C=C(Br)SC2=NC=N1 PI-46737 [0,1,0,0,0,0|3,0,0]=4 62 B12R2.203 C1=C(C2=C(N=CN=C2Cl)[NH]1)Br PI-39603 [0,1,0,0,0,0|2,0,0]=3 63 B12R2.203 C1=CC2=C(C(=C1)I)C(=NN2)N PI-45020 [0,1,0,0,0,0|3,0,0]=4 64 B12R2.203 C1=CN=C2C(=C1Br)C(=CN2)Cl PI-42707 [0,1,0,0,0,0|3,0,0]=4 65 B12R2.203 C1=NC2=NNC(=C2C(=N1)Cl)Br PI-47335 [0,1,0,0,0,0|1,0,2]=4 66 B12R2.203 Cc1c[nH]c2c1c(Cl)ccn2 PI-39357 [0,1,0,0,0,0|3,0,0]=4 67 B12R2.203 Ic1c[nH]c2c1c(Cl)ncn2 PI-37506 [0,1,0,0,0,0|2,0,0]=3 68 B12R2.203 Nc1ncnc2c1c(I)n[nH]2 PI-38272 [0,1,0,0,0,0|1,0,0]=2 69 B12R2.246 BrC1=NC2=C(N=CN2)C(Br)=N1 PI-42502 [0,1,0,0,0,0|3,0,0]=4 70 B12R2.246 C1=C(C=C2C(=C1Br)C=NN2)F PI-45207 [0,1,0,0,0,0|3,0,0]=4 71 B12R2.246 C1=C(C=C2C(=C1F)C=NN2)Cl PI-45211 [0,1,0,0,0,0|3,0,0]=4 72 B12R2.246 C1=C(C=C2C(=C1F)C=NN2)F PI-44585 [0,1,0,0,0,0|3,0,0]=4 73 B12R2.246 C1=C(C=C2C(=C1F)C=NN2)F PI-45182 [0,1,0,0,0,0|3,0,0]=4 74 B12R2.246 C1=CNC2=C1C(=O)NC(=N2)N PI-45110 [0,1,0,0,0,0|1,0,2]=4 75 B12R2.246 C1=CNC2=NC(=S)NC(=C21)N PI-34723 [0,1,0,0,0,0|2,0,1]=4 76 B12R2.246 CC1=NC2=C(C=CN2)C(=N1)Cl PI-34851 [0,1,0,0,0,0|2,0,0]=3 77 B12R2.246 CC1=NC2=C(C=CS2)C(=N1)Cl PI-42655 [0,1,0,0,0,0|3,0,0]=4 78 B12R2.246 ClC1=C2C=CSC2=NC(Cl)=N1 PI-37128 [0,1,0,0,0,0|3,0,0]=4 79 B12R2.246 ClC1=C2C=N[NH]C2=NC(=N1)Cl PI-41586 [0,1,0,0,0,0|1,0,0]=2 80 B12R2.246 ClC1=NC(=NC2=C1C=C[NH]2)N PI-41111 [0,1,0,0,0,0|2,0,0]=3 81 B12R2.246 Clc1nc(Cl)c2cc[nH]c2n1 PI-34852 [0,1,0,0,0,0|2,0,0]=3 82 B12R2.246 Clc1nc(N)c2nc[nH]c2n1 PI-11356 [0,1,0,0,0,0|3,0,0]=4 83 B12R2.246 Fc1nc(Cl)c2nc[nH]c2n1 PI-33104 [0,1,0,0,0,0|3,0,0]=4 84 B12R2.246 Nc1nc(Cl)c2nc[nH]c2n1 PI-31012 [0,1,0,0,0,0|3,0,0]=4 85 B12R2.246 Nc1nc(N)c2c(n1)[nH]cn2 PI-11514 [0,1,0,0,0,0|3,0,0]=4 86 B12R2.246 Sc1nc(O)c2c(n1)[nH]cn2 PI-18393 [0,1,0,0,0,0|2,0,0]=3 87 B12R2.315 C1=CC(=C2C=CNC2=C1)CO PI-25038 [0,1,0,0,0,0|3,0,0]=4 88 B12R2.315 C1=CNC2=NC=CC(=C21)C#N PI-36087 [0,1,0,0,0,0|3,0,0]=4 89 B12R2.315 COC1=CC=CC2=C1C=CN2 PI-16821 [0,1,0,0,0,0|3,0,0]=4 90 B12R2.315 NCc1ccnc2[nH]ccc12 PI-36086 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.4 C1=CC=C(C(=C1)C=NN)O PI-27488 [0,0,1,0,0,0|2,0,0]=3 92 B10R1.245 C1=NC(=C(C(=N1)Cl)C=O)Cl PI-21084 [0,0,1,0,0,0|3,0,0]=4 93 B10R1.245 C1=NC(=C(C(=N1)N)N=O)N PI-49739 [0,0,1,0,0,0|3,0,0]=4 94 B10R1.245 COc1c(O)ncnc1O PI-21331 [0,0,1,0,0,0|3,0,0]=4 95 B9R1.2 C1=C(N=CN=C1Cl)NN PI-10286 [1,0,1,0,0,0|1,0,1]=4 96 B9R1.2 CNC1=CC(=NC=N1)Cl PI-34619 [1,0,1,0,0,0|1,0,1]=4 97 B9R1.3 C1=NC(=C(C(=N1)Cl)F)N PI-44798 [1,0,1,0,0,0|2,0,0]=4 98 B9R1.3 C1=NC(=C(C(=N1)Cl)F)N PI-45121 [1,0,1,0,0,0|2,0,0]=4 99 B9R1.3 C1=NC(=C(C(=N1)N)N)N PI-11355 [1,0,1,0,0,0|1,0,1]=4 100 B9R1.3 C1=NC(=C(C(=N1)N)N)N PI-42897 [1,0,1,0,0,0|1,0,1]=4 101 B9R1.3 CC1=C(N=CN=C1F)N PI-45143 [1,0,1,0,0,0|1,0,1]=4 102 B9R1.3 Clc1c(N)ncnc1Cl PI-39098 [1,0,1,0,0,0|2,0,0]=4 103 B9R1.3 NC1=NC=NC(Cl)=C1Br PI-46711 [1,0,1,0,0,0|2,0,0]=4 104 B9R1.3 Nc1c(N)ncnc1Cl PI-38634 [1,0,1,0,0,0|1,0,1]=4 105 B9R1.3 Nc1c(N)ncnc1N PI-21349 [1,0,1,0,0,0|1,0,1]=4 106 B9R1.3 Nc1c(N)ncnc1O PI-34788 [1,0,1,0,0,0|0,0,1]=3 107 B9R1.15 C1=C(C(=NC=N1)N)C#N PI-14130 [1,0,1,0,0,0|0,0,2]=4 108 B9R1.15 C1=CN=CC(=C1N)C=O PI-14094 [1,0,1,0,0,0|2,0,0]=4 109 B9R1.15 N#Cc1cncnc1O PI-31680 [1,0,1,0,0,0|0,0,2]=4 110 B9R1.15 O=Cc1cccnc1N PI-15940 [1,0,1,0,0,0|2,0,0]=4 111 B9R1.41 C1=NNC(=C1C(=O)O)N PI-13600 [1,0,1,0,0,0|1,0,1]=4 112 B11R2.1 C1=CC2=C(NC=C2Br)N=C1 PI-41228 [1,1,0,0,0,0|2,0,0]=4 113 B11R2.1 C1=CC2=C(NC=C2Cl)N=C1 PI-42708 [1,1,0,0,0,0|2,0,0]=4 114 B11R2.1 C1=CC=C2C(=C1)C=NN2N PI-44096 [1,1,0,0,0,0|2,0,0]=4 115 B11R2.1 ClC1=CNC2=C1C=NC=C2 PI-36987 [1,1,0,0,0,0|2,0,0]=4 116 B11R2.1 NC1=CNC2=C1C=NC=C2 PI-36984 [1,1,0,0,0,0|2,0,0]=4 117 B11R2.1 NC1=NSC2=NC=CC=C21 PI-46733 [1,1,0,0,0,0|2,0,0]=4 118 B11R2.36 Brc1cnc2c(c1)cc[nH]2 PI-38022 [1,1,0,0,0,0|2,0,0]=4 119 B11R2.36 Brc1cnc2c(c1)cn[nH]2 PI-39252 [1,1,0,0,0,0|1,0,0]=3 120 B11R2.36 Brc1ncc2c(c1)[nH]cc2 PI-39092 [1,1,0,0,0,0|2,0,0]=4 121 B11R2.36 C1=C2C=NOC2=NC=C1Br PI-49007 [1,1,0,0,0,0|2,0,0]=4 122 B11R2.36 C1=CC2=C(C=C1Br)C=NN2 PI-34641 [1,1,0,0,0,0|2,0,0]=4 123 B11R2.36 C1=CC2=C(C=C1Br)NN=C2 PI-33950 [1,1,0,0,0,0|2,0,0]=4 124 B11R2.36 C1=CC2=C(C=C1Cl)C=NN2 PI-34938 [1,1,0,0,0,0|2,0,0]=4 125 B11R2.36 C1=CC2=C(C=C1Cl)NN=C2 PI-34962 [1,1,0,0,0,0|2,0,0]=4 126 B11R2.36 C1=CC2=C(C=C1F)C=NN2 PI-34939 [1,1,0,0,0,0|2,0,0]=4 127 B11R2.36 C1=CC2=C(C=C1F)NN=C2 PI-34959 [1,1,0,0,0,0|2,0,0]=4 128 B11R2.36 C1=CC2=C(C=C1N)C=NN2 PI-17683 [1,1,0,0,0,0|2,0,0]=4 129 B11R2.36 C1=CC2=C(C=C1O)C=NN2 PI-44936 [1,1,0,0,0,0|2,0,0]=4 130 B11R2.36 C1=CC2=C(C=C1O)NN=C2 PI-45210 [1,1,0,0,0,0|2,0,0]=4 131 B11R2.36 C1=CNC2=NC(=NC=C21)Cl PI-38933 [1,1,0,0,0,0|1,0,0]=3 132 B11R2.36 CC1=CC2=C(C=N1)C=CN2 PI-36829 [1,1,0,0,0,0|2,0,0]=4 133 B11R2.36 CC1=CC=C2[NH]N=CC2=C1 PI-41809 [1,1,0,0,0,0|2,0,0]=4 134 B11R2.36 Clc1cnc2c(c1)cc[nH]2 PI-38968 [1,1,0,0,0,0|2,0,0]=4 135 B11R2.36 Clc1ncc2c(c1)[nH]cc2 PI-36950 [1,1,0,0,0,0|2,0,0]=4 136 B11R2.36 Clc1ncc2c(c1)[nH]nc2 PI-39108 [1,1,0,0,0,0|1,0,0]=3 137 B11R2.36 IC1=CC=C2[NH]N=CC2=C1 PI-34940 [1,1,0,0,0,0|2,0,0]=4 138 B11R2.36 Ic1ccc2c(c1)[nH]nc2 PI-34958 [1,1,0,0,0,0|2,0,0]=4 139 B11R2.36 Nc1ccc2c(c1)[nH]nc2 PI-34961 [1,1,0,0,0,0|2,0,0]=4 140 B11R2.36 OC1=CC2=C(NC=C2)N=C1 PI-42397 [1,1,0,0,0,0|2,0,0]=4 141 B13R2.342 Ic1cccc2c(O)ncnc12 PI-36149 [0,1,0,0,0,1|2,0,0]=4 142 B13R2.4818 Brc1cccc2ncnc(O)c12 PI-36123 [0,1,0,0,0,1|2,0,0]=4 143 B13R2.623 COc1nc(O)nc2[nH]ccc12 PI-27998 [0,2,0,0,0,0|1,0,0]=3