0 B12R2.24 BrC1=CC2=C(C=C1)C=NC=N2 4108282 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 4108320 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.24 BrC1=CN=C2N=CC=NC2=C1 4029583 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.24 BrC1=NC2=C(N=CC=N2)N=C1 4049243 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.24 NC1=CC=C2C=CC=NC2=C1 4018528 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.24 NC1=CC=C2N=CC=NC2=C1 4100080 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.32 CC1=C(O)C2=NC=CC=C2C=C1 5175128 [0,1,0,0,0,0|2,0,0]=3 7 B13R2.32 CC1=C(O)C=CC2=CC=CC=C21 4021629 [0,1,0,0,0,0|2,0,0]=3 8 B13R2.32 ClC1=C2C=CC=CC2=NC=C1Br 4031465 [0,1,0,0,0,0|3,0,0]=4 9 B13R2.32 OC1=C2N=CC=CC2=CC=C1F 4102020 [0,1,0,0,0,0|3,0,0]=4 10 B13R2.57 N#CC1=CC=C2C=CC=CC2=N1 4045173 [0,1,0,0,0,0|2,0,1]=4 11 B13R2.57 NCC1=CC2=CC=CC=C2N=C1 4100510 [0,1,0,0,0,0|2,0,0]=3 12 B13R2.57 NCC1=CC2=CC=CN=C2C=C1 4004342 [0,1,0,0,0,0|0,0,0]=1 13 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 4102058 [0,1,0,0,0,0|2,0,0]=3 14 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 4300501 [0,1,0,0,0,0|2,0,1]=4 15 B13R2.155 CC1=NC2=C(C=C1)C=CC(N)=N2 4017230 [0,1,0,0,0,0|3,0,0]=4 16 B13R2.155 NC1=CC=C2C=CC(=O)NC2=C1 4038499 [0,1,0,0,0,0|3,0,0]=4 17 B13R2.155 O=C1C=CC2=CC=C(Br)C=C2N1 4037918 [0,1,0,0,0,0|3,0,0]=4 18 B13R2.155 OC1=CC=C2C=CC(Cl)=NC2=C1 4037458 [0,1,0,0,0,0|3,0,0]=4 19 B13R2.162 CC1=CC2=C(C=CC=C2N)N=N1 5256404 [0,1,0,0,0,0|3,0,0]=4 20 B13R2.162 CC1=CC=C2N=CC=C(O)C2=C1 4040203 [0,1,0,0,0,0|0,0,0]=1 21 B13R2.162 ClC1=CC=C2N=CC=C(Cl)C2=C1 4029008 [0,1,0,0,0,0|1,0,0]=2 22 B13R2.162 ClC1=CC=NC2=CC=C(Br)C=C12 4043700 [0,1,0,0,0,0|1,0,0]=2 23 B13R2.162 NC1=CC=C2OC=CC(=O)C2=C1 4041500 [0,1,0,0,0,0|2,0,0]=3 24 B13R2.162 NC1=CC=NC2=C1C=C(Cl)C=C2 4014445 [0,1,0,0,0,0|1,0,0]=2 25 B13R2.162 NC1=CC=NC2=CC=C(F)C=C12 4029606 [0,1,0,0,0,0|1,0,0]=2 26 B13R2.162 NC1=NC=NC2=CC=C(Br)C=C21 4022407 [0,1,0,0,0,0|2,0,0]=3 27 B13R2.162 O=C1NC=NC2=CC=C(Br)C=C12 4002728 [0,1,0,0,0,0|2,0,0]=3 28 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 4049766 [0,1,0,0,0,0|3,0,0]=4 29 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=N1 4048787 [0,1,0,0,0,0|3,0,0]=4 30 B13R2.328 ClC1=CC(Br)=C2N=CC=CC2=C1 4108967 [0,1,0,0,0,0|1,0,0]=2 31 B13R2.328 ClC1=CC(Cl)=NC2=CC=CC=C12 4043546 [0,1,0,0,0,0|3,0,0]=4 32 B13R2.328 O=C1C=C(Cl)C2=CC=CC=C2N1 4001693 [0,1,0,0,0,0|3,0,0]=4 33 B13R2.328 OC1=CC2=CC=CC=C2C(Br)=C1 4038940 [0,1,0,0,0,0|2,0,0]=3 34 B13R2.369 OC1=NC2=CC=CC=C2C=C1Br 4032198 [0,1,0,0,0,0|3,0,0]=4 35 B13R2.3683 CC1=NC2=NC=C(Br)N=C2N=C1 4046482 [0,1,0,0,0,0|3,0,0]=4 36 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 4100117 [0,1,0,0,0,0|2,0,0]=3 37 B13R2.5179 O=C1C=CC2=C(Cl)C=CC=C2N1 4037741 [0,1,0,0,0,0|3,0,0]=4 38 B13R2.5179 O=C1C=COC2=CC(Br)=CC=C12 4045139 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.1 C=CCOC1=CC=C(N)C=C1 4023587 [0,0,1,0,0,0|2,0,1]=4 40 B11R1.86 CC(=O)NC1=CC=CN=C1Cl 9070591 [0,0,1,0,0,0|3,0,0]=4 41 B11R2.1 BrC1=NNC2=NC=CC=C12 4045670 [0,0,0,0,1,0|3,0,0]=4 42 B11R2.1 CC1=NNC2=CC=CC=C21 4041962 [0,0,0,0,1,0|3,0,0]=4 43 B11R2.1 NC1=C2C=CC=NC2=NS1 4049786 [0,0,0,0,1,0|3,0,0]=4 44 B11R2.1 NC1=NNC2=NC=CC=C12 4030179 [0,0,0,0,1,0|3,0,0]=4 45 B11R2.1 NC1=NOC2=C1C=CC=N2 4031139 [0,0,0,0,1,0|3,0,0]=4 46 B11R2.10 CC1=NC2=CC=CN=C2N1 4031661 [0,0,0,0,1,0|2,0,0]=3 47 B11R2.10 NC1=NC2=NC=CC=C2O1 4032518 [0,0,0,0,1,0|3,0,0]=4 48 B11R2.10 SC1=NC2=C(N=CC=C2)N1 4016422 [0,0,0,0,1,0|3,0,0]=4 49 B11R2.36 BrC1=CC2=C(N=CO2)N=C1 4046171 [0,0,0,0,1,0|3,0,0]=4 50 B11R2.36 BrC1=CC2=NC=CN2C=C1 4095773 [0,0,0,0,1,0|3,0,0]=4 51 B11R2.36 BrC1=CC=C2N=CNC2=C1 4016418 [0,0,0,0,1,0|2,0,0]=3 52 B11R2.36 BrC1=CN2C=CN=C2C=C1 4108315 [0,0,0,0,1,0|2,0,0]=3 53 B11R2.36 BrC1=CN2C=CN=C2N=C1 4108306 [0,0,0,0,1,0|3,0,0]=4 54 B11R2.36 BrC1=NN2C=CN=C2C=C1 4042328 [0,0,0,0,1,0|3,0,0]=4 55 B11R2.36 CC1=CC=C2NN=CC2=C1 4028132 [0,0,0,0,1,0|1,0,1]=3 56 B11R2.36 ClC1=CC=C2NN=CC2=C1 4028691 [0,0,0,0,1,0|2,0,1]=4 57 B11R2.36 FC1=CC=C2NN=CC2=C1 4028455 [0,0,0,0,1,0|2,0,1]=4 58 B11R2.36 NC1=CC2=C(C=C1)SC=N2 4087786 [0,0,0,0,1,0|3,0,0]=4 59 B11R2.36 NC1=CC=C2SC=NC2=C1 4003348 [0,0,0,0,1,0|3,0,0]=4 60 B11R2.36 NC1=CC=C2SN=CC2=C1 4044159 [0,0,0,0,1,0|3,0,0]=4 61 B11R2.36 NC1=CN2N=CN=C2C=C1 4036923 [0,0,0,0,1,0|3,0,0]=4 62 B11R2.36 OC1=CC=C2C=NOC2=C1 4036298 [0,0,0,0,1,0|3,0,0]=4 63 B11R2.36 OC1=CC=C2NC=NC2=C1 5939992 [0,0,0,0,1,0|2,0,1]=4 64 B10R1.17 C=CCCC1=CC=CN=C1 4073007 [1,0,1,0,0,0|0,0,2]=4 65 B10R1.17 NC\C=C\C1=CC=CC=C1 4027604 [1,0,1,0,0,0|0,0,2]=4 66 B10R1.25 CC1=CC=C(C=O)C(O)=C1 4002351 [1,0,1,0,0,0|2,0,0]=4 67 B10R1.18 CC(=O)CC1=CC=CN=C1 4301933 [1,0,1,0,0,0|1,0,1]=4 68 B12R1.1 C=CCNCC1=CC=C(C)C=C1 4089384 [0,1,1,0,0,0|0,0,2]=4 69 B12R1.1 C=CCNCC1=CC=C(C)C=C1 9070773 [0,1,1,0,0,0|0,0,2]=4 70 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 3005326 [0,1,1,0,0,0|2,0,0]=4 71 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 5139503 [0,1,1,0,0,0|2,0,0]=4 72 B12R2.1081 BrC1=C2C=NC=CC2=CC=C1 4108305 [1,1,0,0,0,0|2,0,0]=4 73 B12R2.1081 BrC1=NC=CC2=NC=CC=C12 4065156 [1,1,0,0,0,0|1,0,0]=3 74 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 4031515 [1,1,0,0,0,0|1,0,0]=3 75 B12R2.1081 OC1=CC=CC2=CN=CC=C12 4034700 [1,1,0,0,0,0|2,0,0]=4 76 B12R2.1 NCC1=NNC2=NC=CC=C12 4039054 [0,1,0,0,1,0|2,0,0]=4 77 B12R2.1 NCC1=NNC2=NC=CC=C12 4108968 [0,1,0,0,1,0|2,0,0]=4 78 B12R2.196 CN1C=CC2=C1C=CC=C2N 4031789 [0,1,0,0,1,0|2,0,0]=4 79 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 9072049 [0,1,0,0,1,0|2,0,0]=4 80 B12R2.32 BrCC1=CN2C=CC=NC2=N1 4030728 [0,1,0,0,1,0|2,0,0]=4 81 B12R2.32 ClCC1=NC2=C(C=CC=N2)O1 4096740 [0,1,0,0,1,0|2,0,0]=4 82 B12R2.32 NCC1=CC2=CC=CC=C2N1 4085479 [0,1,0,0,1,0|2,0,0]=4 83 B12R2.32 NCC1=CC2=CC=CC=C2N1 4087983 [0,1,0,0,1,0|2,0,0]=4 84 B12R2.32 NCC1=CC2=CC=CC=C2N1 4110841 [0,1,0,0,1,0|2,0,0]=4 85 B12R2.32 NCC1=CC2=CC=CC=C2O1 4102882 [0,1,0,0,1,0|2,0,0]=4 86 B12R2.32 NCC1=CC2=CC=CC=C2S1 4100819 [0,1,0,0,1,0|2,0,0]=4 87 B12R2.32 NCC1=CN2C=CC=NC2=N1 4100855 [0,1,0,0,1,0|2,0,0]=4 88 B12R2.32 NCC1=NC2=C(C=CC=N2)O1 4110440 [0,1,0,0,1,0|2,0,0]=4 89 B12R2.32 NCC1=NC2=C(C=CC=N2)O1 4110441 [0,1,0,0,1,0|2,0,0]=4 90 B12R2.32 OCC1=NC2=C(N=CC=C2)N1 4021771 [0,1,0,0,1,0|2,0,0]=4 91 B12R2.202 CC1=CC2=C(N=CN=C2Cl)S1 4031610 [0,1,0,0,1,0|2,0,0]=4 92 B12R2.202 CC1=CC2=C(O1)C(N)=CC=C2 4013734 [0,1,0,0,1,0|2,0,0]=4 93 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 4013733 [0,1,0,0,1,0|2,0,0]=4 94 B12R2.606 CC1=NC2=CC(Br)=CN=C2S1 4047192 [0,1,0,0,1,0|2,0,0]=4 95 B12R2.606 CC1=NC2=NC=C(Br)C=C2N1 4014590 [0,1,0,0,1,0|2,0,0]=4 96 B12R2.44 COC1=CC=C2C=CNC2=C1 4036833 [0,1,0,0,1,0|1,0,0]=3 97 B12R2.44 NCC1=CC2=C(C=C1)NC=N2 4035382 [0,1,0,0,1,0|1,0,1]=4 98 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 4011487 [0,1,0,0,1,0|1,0,0]=3 99 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 4088291 [0,1,0,0,1,0|1,0,0]=3 100 B12R2.44 NCC1=CC2=C(C=CN2)C=C1 4034442 [0,1,0,0,1,0|1,0,0]=3 101 B12R2.44 NCC1=CC2=NON=C2C=C1 4002209 [0,1,0,0,1,0|2,0,0]=4 102 B12R2.44 NCC1=CC2=NSN=C2C=C1 4003734 [0,1,0,0,1,0|2,0,0]=4 103 B12R2.44 NCC1=CN2N=CC=C2C=C1 4059720 [0,1,0,0,1,0|2,0,0]=4 104 B12R2.44 O=CC1=CC2=CC=NN2C=C1 4036771 [0,1,0,0,1,0|1,0,1]=4 105 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 4027611 [0,1,0,0,1,0|0,0,1]=3 106 B12R2.44 OCC1=CC2=C(C=CN2)C=C1 4028532 [0,1,0,0,1,0|1,0,0]=3 107 B12R2.44 OCC1=CC=C2C=CNC2=N1 4039014 [0,1,0,0,1,0|2,0,0]=4 108 B12R2.82 CC1=C(N)C2=NSN=C2C=C1 4030283 [0,1,0,0,1,0|2,0,0]=4 109 B12R2.100 CC1=CC2=C(C=C1C)NN=N2 4041454 [0,1,0,0,1,0|2,0,0]=4 110 B12R2.100 CC1=NC2=C(C=C1Br)N=CN2 5722012 [0,1,0,0,1,0|2,0,0]=4 111 B12R2.246 CC1=CC(Br)=CN2C=CN=C12 4029826 [0,1,0,0,1,0|2,0,0]=4 112 B14R2.203 CC1=CC=C2N=CC=CC2=C1C=O 4038004 [0,2,0,0,0,0|0,0,0]=2 113 B14R2.203 CC1=CC=C2N=CC=CC2=C1CN 4039396 [0,2,0,0,0,0|0,0,0]=2 114 B14R2.8038 CC1=CC=C2C(N)=CC=NC2=C1C 4043802 [0,2,0,0,0,0|2,0,0]=4 115 B14R2.28523 CC1=[N+]([O-])C2=C(C=CC=C2O)C=C1 5175127 [0,2,0,0,0,0|2,0,0]=4 116 B14R2.112 CNCC1=CC2=CC=CC=C2N=C1 4003836 [0,2,0,0,0,0|2,0,0]=4 117 B14R2.112 CNCC1=CC=C2N=CC=CC2=C1 4102204 [0,2,0,0,0,0|0,0,0]=2 118 B14R2.112 CNCC1=NC2=CC=CC=C2C=C1 4110615 [0,2,0,0,0,0|2,0,0]=4 119 B14R2.112 NCCC1=CC2=CC=CC=C2C=C1 4004145 [0,2,0,0,0,0|1,0,0]=3 120 B14R2.134 COC1=CC=C2N=CC(N)=CC2=C1 4030377 [0,2,0,0,0,0|0,0,0]=2 121 B14R2.142 CNC1=NC2=C(C=CC=C2O)C=C1 5175081 [0,2,0,0,0,0|2,0,0]=4 122 B14R2.142 COC1=NC2=C(C=CC=C2O)C=C1 5175101 [0,2,0,0,0,0|2,0,0]=4 123 B14R2.781 CC(O)C1=CC=C2N=CC=CC2=C1 4043366 [0,2,0,0,0,0|0,0,0]=2 124 B14R2.781 OB(O)C1=CC=C2N=CC=CC2=C1 4087995 [0,2,0,0,0,0|1,0,0]=3 125 B14R2.781 OB(O)C1=CC=C2N=CC=CC2=C1 4202093 [0,2,0,0,0,0|1,0,0]=3 126 B14R2.1019 O=C1C=C(CCl)NC2=CC=CC=C12 4026962 [0,2,0,0,0,0|2,0,0]=4 127 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl 4030706 [0,2,0,0,0,0|2,0,0]=4 128 B14R2.2332 O=CC1=NC2=CC=C(Cl)C=C2C=C1 4003791 [0,2,0,0,0,0|1,0,0]=3 129 B14R2.2332 O=CC1=NC2=CC=C(F)C=C2C=C1 4003789 [0,2,0,0,0,0|1,0,0]=3 130 B14R2.8239 CC1=NC2=CC=C(N)C=C2N=C1C 4003404 [0,2,0,0,0,0|2,0,0]=4 131 B14R2.8239 OC1=C(O)N=C2C=C(Br)C=CC2=N1 5131629 [0,2,0,0,0,0|2,0,0]=4 132 B14R2.8045 CC1=C2N=CC=C(Cl)C2=CC(Cl)=C1 4040697 [0,2,0,0,0,0|1,0,0]=3 133 B14R2.8045 CC1=CC(C)=C2N=CC=C(Cl)C2=C1 4040722 [0,2,0,0,0,0|0,0,0]=2 134 B14R2.8045 CC1=CC(C)=C2N=CC=C(N)C2=C1 4027926 [0,2,0,0,0,0|0,0,0]=2 135 B14R2.8045 CC1=NC2=C(C=CC=C2Br)C(O)=C1 4031944 [0,2,0,0,0,0|2,0,0]=4 136 B14R2.8045 CC1=NC2=C(F)C=CC=C2C(N)=C1 4029892 [0,2,0,0,0,0|2,0,0]=4 137 B14R2.8045 FC1=CC(F)=C2N=CC=C(Cl)C2=C1 4043655 [0,2,0,0,0,0|1,0,0]=3 138 B14R2.8235 CC1=CC(=O)NC2=C1C=C(Br)C=C2 6183322 [0,2,0,0,0,0|1,0,1]=4 139 B14R2.8235 CC1=CC(Cl)=NC2=CC=C(Cl)C=C12 4040513 [0,2,0,0,0,0|1,0,0]=3 140 B14R2.8235 CC1=CC(Cl)=NC2=CC=C(F)C=C12 4033831 [0,2,0,0,0,0|1,0,0]=3 141 B14R2.8235 CC1=NC2=C(C=C(Br)C=C2)C(O)=C1 4031252 [0,2,0,0,0,0|1,0,0]=3 142 B14R2.8235 CC1=NC2=CC=C(Br)C=C2C(=O)N1 4014422 [0,2,0,0,0,0|2,0,0]=4 143 B14R2.8235 CC1=NC2=CC=C(Cl)C=C2C(N)=C1 4029729 [0,2,0,0,0,0|1,0,0]=3 144 B14R2.8235 CC1=NC2=CC=C(F)C=C2C(Cl)=C1 4043187 [0,2,0,0,0,0|1,0,0]=3 145 B14R2.8751 CC1=CC=C(O)C2=C1C=CC(C)=N2 5175124 [0,2,0,0,0,0|2,0,0]=4 146 B14R2.11684 COC1=NC=NC2=CC=C(Br)C=C21 4014416 [0,2,0,0,0,0|2,0,0]=4 147 B10R2.7 C1=CC2=CC=NC=C2N1 4108319 [1,0,0,0,1,0|1,0,1]=4 148 B10R2.7 C1=CN=C2NN=CC2=C1 4031574 [1,0,0,0,1,0|2,0,0]=4