0 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 4049766 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.328 CC1=NC2=C(C=CC=N2)C(=O)N1 4043360 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=N1 4048787 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.328 ClC1=CC(Cl)=NC2=CC=CC=C12 4043546 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.328 NC1CC(=O)NC2=CC=CC=C21 4013764 [0,0,0,0,0,0|2,0,2]=4 5 B13R2.328 O=C1C=C(Cl)C2=CC=CC=C2N1 4001693 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.328 OC1=CC2=CC=CC=C2C(Br)=C1 4038940 [0,0,0,0,0,0|4,0,0]=4 7 B12R2.24 NC1=CC=C2C=CC=NC2=C1 4018528 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.1081 BrC1=NC=CC2=NC=CC=C12 4065156 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 4031515 [1,0,0,0,0,0|0,0,0]=1 10 B14R2.1019 NCC1=NC2=CC=CC=C2C(=O)N1 4009695 [0,1,0,0,0,0|1,0,1]=3 11 B14R2.1019 O=C1NC(CO)=NC2=CC=CC=C12 4043769 [0,1,0,0,0,0|2,0,1]=4 12 B14R2.1019 O=CC1=NC2=CC=CC=C2C(O)=C1 4014212 [0,1,0,0,0,0|3,0,0]=4 13 B14R2.8045 CC1=NC2=C(C=CC=C2Br)C(O)=C1 4031944 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.8045 CC1=NC2=C(F)C=CC=C2C(N)=C1 4029892 [0,1,0,0,0,0|2,0,0]=3 15 B14R2.8188 CC1=C2C=CC=CC2=NC(O)=C1Br 4030122 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.8235 CC1=CC(Cl)=NC2=CC=C(Cl)C=C12 4040513 [0,1,0,0,0,0|3,0,0]=4 17 B14R2.8235 CC1=CC(Cl)=NC2=CC=C(F)C=C12 4033831 [0,1,0,0,0,0|3,0,0]=4 18 B14R2.8235 CC1=NC2=C(C=C(Br)C=C2)C(O)=C1 4031252 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.8235 CC1=NC2=CC=C(Br)C=C2C(=O)N1 4014422 [0,1,0,0,0,0|2,0,1]=4 20 B14R2.8235 CC1=NC2=CC=C(Cl)C=C2C(N)=C1 4029729 [0,1,0,0,0,0|2,0,0]=3 21 B14R2.8235 CC1=NC2=CC=C(F)C=C2C(Cl)=C1 4043187 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.75 COC1=CC=CC=C1CC(=N)N 4012625 [0,0,1,0,0,0|3,0,0]=4 23 B12R1.75 COC1=CC=CC=C1CC(=N)N 4090071 [0,0,1,0,0,0|3,0,0]=4 24 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 4002596 [0,0,1,0,0,0|1,0,2]=4 25 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 4090863 [0,0,1,0,0,0|1,0,2]=4 26 B12R1.1095 C=CCC1=C(O)N=C(N)N=C1C 4028156 [0,0,1,0,0,0|1,0,2]=4 27 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 3001658 [0,0,0,0,1,0|2,0,0]=3 28 B12R2.18 CN1C2=CC=CC=C2N=C1S 4009541 [0,0,0,0,1,0|3,0,0]=4 29 B12R2.18 NC1C(=O)NC2=C1C=CC=C2 4011261 [0,0,0,0,1,0|1,0,2]=4 30 B12R2.246 CC1=NC2=C(C=NN2)C(N)=N1 6142073 [0,0,0,0,1,0|3,0,0]=4 31 B12R2.246 CC1=NC2=C(NC=C2)C(Cl)=N1 4070836 [0,0,0,0,1,0|3,0,0]=4 32 B12R2.246 CC1=NC2=C(SC=C2)C(Cl)=N1 4043902 [0,0,0,0,1,0|3,0,0]=4 33 B12R2.246 NC1=NC(Cl)=C2C=NNC2=N1 4010455 [0,0,0,0,1,0|3,0,0]=4 34 B12R2.246 NC1=NC2=C(C=NN2)C(N)=N1 4045902 [0,0,0,0,1,0|2,0,0]=3 35 B12R2.2028 CN1N=C(I)C2=CC=CC=C21 4026950 [0,0,0,0,1,0|3,0,0]=4 36 B12R2.2028 CN1N=C(N)C2=C1C=CC=C2 4026945 [0,0,0,0,1,0|2,0,0]=3 37 B11R1.91 N=C(N)CCC1=CC=CC=C1 4041259 [1,0,1,0,0,0|1,0,1]=4 38 B11R1.91 N=C(N)NCC1=CC=CC=C1 4032915 [1,0,1,0,0,0|0,0,2]=4 39 B11R1.464 C(=O)C1=C(O)N=C(N)N=C1N 4013068 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.464 C(=O)C1=C(O)N=C(N)N=C1N 4088828 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.222 CC1=C(\C(N)=N\O)C=CC=C1 4030196 [1,0,1,0,0,0|2,0,0]=4 42 B13R2.57 N#CC1=CC=C2C=CC=CC2=N1 4045173 [1,1,0,0,0,0|1,0,1]=4 43 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 4102058 [1,1,0,0,0,0|1,0,0]=3 44 B13R2.155 CC1=NC2=C(C=C1)C=CC(N)=N2 4017230 [1,1,0,0,0,0|2,0,0]=4 45 B13R2.155 NC1=NC2=C(C=CC(=O)N2)C=C1 4027370 [1,1,0,0,0,0|2,0,0]=4 46 B13R2.155 OC1=CC=C2C=CC(Cl)=NC2=C1 4037458 [1,1,0,0,0,0|2,0,0]=4 47 B13R2.369 OC1=NC2=CC=CC=C2C=C1Br 4032198 [1,1,0,0,0,0|2,0,0]=4 48 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 4100117 [1,1,0,0,0,0|2,0,0]=4 49 B13R2.342 NC1=C2C=CC=C(Br)C2=NC=C1 4031865 [1,1,0,0,0,0|1,0,0]=3 50 B13R2.342 NC1=CC=NC2=C(Cl)C=CC=C12 4027613 [1,1,0,0,0,0|1,0,0]=3 51 B13R2.342 NC1=CC=NC2=C(F)C=CC=C12 4030186 [1,1,0,0,0,0|1,0,0]=3 52 B13R2.371 NC1=CC=C(N)C2=CC=CC=C12 4041066 [1,1,0,0,0,0|2,0,0]=4 53 B13R2.371 NC1=CC=C(N)C2=CC=CC=C12 4088282 [1,1,0,0,0,0|2,0,0]=4 54 B13R2.1613 NNC1=NC=CC2=CC=CC=C21 4033979 [1,1,0,0,0,0|1,0,0]=3 55 B13R2.1613 NNC1=NC=CC2=CC=CC=C21 4090099 [1,1,0,0,0,0|1,0,0]=3 56 B13R2.1613 NNC1=NC=NC2=CC=CC=C21 4004613 [1,1,0,0,0,0|0,0,0]=2 57 B13R2.45 CC1=C(CN)OC2=CC=CC=C21 4041189 [0,1,0,0,1,0|2,0,0]=4 58 B13R2.45 CN1C2=CC=CC=C2N=C1CN 4087951 [0,1,0,0,1,0|2,0,0]=4 59 B13R2.45 CN1C2=CC=CC=C2N=C1CN 4089170 [0,1,0,0,1,0|2,0,0]=4 60 B13R2.45 CN1C2=CC=CC=C2N=C1CN 4100112 [0,1,0,0,1,0|2,0,0]=4 61 B13R2.45 N#CC1=C(N)C2=C(C=CC=C2)O1 4043331 [0,1,0,0,1,0|1,0,1]=4 62 B13R2.45 NCC1=C(Cl)C2=CC=CC=C2S1 4006175 [0,1,0,0,1,0|2,0,0]=4 63 B13R2.5397 CC1=CC2=C(N=C(N)N=C2C)O1 4001931 [0,1,0,0,1,0|2,0,0]=4 64 B13R2.2931 CCN1N=C(N)C2=C1C=CC=C2 4027795 [0,1,0,0,1,0|2,0,0]=4 65 B13R2.4857 CN1N=C(N)C2=C1C=CC=C2Cl 4028007 [0,1,0,0,1,0|2,0,0]=4 66 B13R2.12159 NC1=NS(=O)(=O)C2=C1C=CC=C2 4017284 [0,1,0,0,1,0|2,0,0]=4 67 B15R2.886 CNCC1=NC2=CC=CC=C2C(=O)N1 4108223 [0,2,0,0,0,0|1,0,1]=4 68 B15R2.886 NCCC1=NC2=CC=CC=C2C(=O)N1 4009697 [0,2,0,0,0,0|1,0,1]=4 69 B15R2.886 NCCC1=NC2=CC=CC=C2C(=O)N1 4088034 [0,2,0,0,0,0|1,0,1]=4 70 B15R2.988 NC(=O)C1=C2C=CC=CC2=NC(Cl)=C1 4110462 [0,2,0,0,0,0|2,0,0]=4 71 B15R2.59732 CC1=CC(C)=C2N=C(C)C=C(N)C2=C1 4028429 [0,2,0,0,0,0|2,0,0]=4 72 B15R2.21329 COC1=CC2=C(N)C=C(C)N=C2C=C1 5175472 [0,2,0,0,0,0|2,0,0]=4 73 B13R2.26 NCCC1=NC2=C(C=CC=C2)N1 4090541 [0,0,1,1,0,0|1,0,1]=4 74 B13R2.26 NCCC1=NC2=C(C=CC=C2)N1 4100111 [0,0,1,1,0,0|1,0,1]=4 75 B13R2.10 BrC1=NNC(C2=CC=CC=C2)=N1 4036054 [0,0,1,1,0,0|1,0,0]=3 76 B13R2.10 BrC1=NNC(C2=CC=CC=N2)=N1 4035115 [0,0,1,1,0,0|2,0,0]=4 77 B13R2.10 BrC1=NOC(C2=CC=CC=C2)=N1 4031107 [0,0,1,1,0,0|2,0,0]=4 78 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 4030068 [0,0,1,1,0,0|2,0,0]=4 79 B13R2.10 ClC1=NNC(C2=CN=CC=C2)=N1 4041115 [0,0,1,1,0,0|2,0,0]=4 80 B13R2.10 ClC1=NOC(C2=CC=CC=C2)=N1 4039921 [0,0,1,1,0,0|2,0,0]=4 81 B13R2.10 NC1=NC(C2=CC=CC=C2)=NN1 4002340 [0,0,1,1,0,0|0,0,2]=4 82 B13R2.10 NC1=NNC(C2=CC=NC=C2)=C1 4108166 [0,0,1,1,0,0|2,0,0]=4 83 B13R2.10 NC1=NOC(C2=CC=CC=C2)=N1 5217756 [0,0,1,1,0,0|1,0,0]=3 84 B13R2.10 SC1=NC(C2=CC=CC=C2)=CN1 4010221 [0,0,1,1,0,0|2,0,0]=4 85 B13R2.18 BrC1=C(C2=CNC=N2)C=CC=C1 4030627 [0,0,1,1,0,0|2,0,0]=4 86 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 4012626 [0,0,1,0,1,0|1,0,1]=4 87 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 4088244 [0,0,1,0,1,0|1,0,1]=4 88 B11R2.1 CC1=NNC2=CC=CC=C21 4041962 [1,0,0,0,1,0|2,0,0]=4 89 B11R2.1 IC1=NNC2=CC=CC=C21 4027330 [1,0,0,0,1,0|2,0,0]=4 90 B11R2.1 NC1=NN=C2C=CC=CN12 4006052 [1,0,0,0,1,0|2,0,0]=4 91 B11R2.1 NC1=NNC2=NC=CC=C12 4030179 [1,0,0,0,1,0|2,0,0]=4 92 B11R2.1 NC1=NOC2=C1C=CC=N2 4031139 [1,0,0,0,1,0|2,0,0]=4 93 B11R2.10 NC1=NC2=C(C=CC=C2)O1 4030771 [1,0,0,0,1,0|1,0,0]=3 94 B11R2.10 NC1=NC2=NC=CC=C2O1 4032518 [1,0,0,0,1,0|2,0,0]=4 95 B11R2.106 ClC1=NC=NC2=C1C=CN2 4036676 [1,0,0,0,1,0|2,0,0]=4