0 B9R1.69 CC1=C(C)NC(=O)C=C1 F52969 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.69 CC1=C(O)N=C(Cl)N=C1 AC8001 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.69 CC1=C(S)N=C(S)N=C1 W17242 [0,0,0,0,0,0|2,1,1]=4 3 B9R1.69 CC1=CC(Br)=NC=C1O 96317 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 CC1=CC(I)=C(O)C=N1 96425 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.69 CC1=CC(I)=NC=C1N 80294 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 CC1=CC(N)=C(S)C=C1 AT19644 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.69 CC1=CC=C(I)C(=O)N1 93733 [0,0,0,0,0,0|3,1,0]=4 8 B9R1.69 CC1=CC=C(N)C(N)=N1 C16371 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.69 CC1=CN=C(Cl)C=C1F F18561 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 CC1=CN=C(O)C=C1C AT24357 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.69 CC1=CNC(=O)NC1=S C15659 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.69 CC1=NC(Cl)=C(I)C=N1 O11217 [0,0,0,0,0,0|2,1,1]=4 13 B9R1.69 FC1=C(Br)C=C(S)C=C1 AT20850 [0,0,0,0,0,0|3,1,0]=4 14 B9R1.69 FC1=C(Br)C=NC(Cl)=N1 F51201 [0,0,0,0,0,0|2,1,1]=4 15 B9R1.69 FC1=C(I)C=C(I)C=C1 AT18537 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.69 FC1=C(S)C=C(Br)C=C1 AT20849 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.69 FC1=C(S)C=C(Cl)C=C1 AT20862 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.69 FC1=CC(Cl)=C(I)C=N1 O11206 [0,0,0,0,0,0|3,1,0]=4 19 B9R1.69 N=C1NC(O)=NC=C1F H10295 [0,0,0,0,0,0|0,0,2]=2 20 B9R1.69 NC1=C(I)C=NC(F)=C1 W19621 [0,0,0,0,0,0|2,1,0]=3 21 B9R1.69 NC1=C(O)C=CC(I)=C1 I10250 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.69 NC1=C(S)C=CC(F)=C1 C90392 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.69 NC1=CC(Cl)=NNC1=O W19056 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.69 NC1=CC(I)=C(F)C=C1 98239 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.69 NC1=CC=C(Br)C(=O)N1 AT18218 [0,0,0,0,0,0|3,1,0]=4 26 B9R1.69 NC1=CC=C(F)C(Cl)=N1 91518 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.69 NC1=CC=C(F)C(F)=N1 N16971 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.69 NC1=CN=C(Cl)C=C1N SC3001 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.69 NC1=CNC(=O)C=C1Cl 94340 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.69 NC1=CNC(=O)N=C1N W10167 [0,0,0,0,0,0|1,0,2]=3 31 B9R1.69 NC1=NC(N)=C(Cl)C=C1 D87713 [0,0,0,0,0,0|2,1,1]=4 32 B9R1.69 O=C1C=C(Cl)C(Br)=CN1 C90977 [0,0,0,0,0,0|2,1,1]=4 33 B9R1.69 O=C1C=C(O)C(Cl)=CN1 43948 [0,0,0,0,0,0|2,1,1]=4 34 B9R1.69 O=C1NC(=S)N=C[C@@H]1F O11438 [0,0,0,0,0,0|1,1,1]=3 35 B9R1.69 OC1=C(Br)C=NC(F)=C1 F30342 [0,0,0,0,0,0|3,1,0]=4 36 B9R1.69 OC1=C(I)C=C(F)N=C1 AT19114 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.69 OC1=C(I)C=NC(F)=C1 E71631 [0,0,0,0,0,0|3,1,0]=4 38 B9R1.69 OC1=CC(Br)=NC=C1Br 94341 [0,0,0,0,0,0|3,1,0]=4 39 B9R1.69 OC1=CC(I)=C(F)C=C1 79298 [0,0,0,0,0,0|3,0,1]=4 40 B9R1.69 [BH3-]C1=C(F)C=NC(N)=C1 AC8350 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.3 CC1=CN=C(C)N=C1 C15366 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.3 CC1=CN=C(Cl)N=C1 F13414 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.3 CC1=CN=C(I)N=C1 90174 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.3 CC1=CN=C(O)N=C1 W10551 [1,0,0,0,0,0|1,0,2]=4 45 B8R1.3 CC1=NC=C(I)C=N1 82252 [1,0,0,0,0,0|1,1,1]=4 46 B8R1.3 FC1=CN=C(I)N=C1 89571 [1,0,0,0,0,0|1,0,1]=3 47 B8R1.3 FC1=NC=C(Cl)C=N1 AT18407 [1,0,0,0,0,0|1,1,1]=4 48 B8R1.3 NC1=CN=C(S)C=C1 AT20609 [1,0,0,0,0,0|2,1,0]=4 49 B8R1.3 NC1=NC=C(O)C=N1 D78823 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.3 NC1=NC=C([S-])C=N1 F51717 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.3 NC1=NNC(=O)C=C1 AT17777 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.3 O=C1C=CC(=O)N=N1 83325 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.3 O=C1C=CC(F)=NN1 AT24740 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.3 S=C1N=CC(Cl)=CN1 O11414 [1,0,0,0,0,0|0,2,0]=3 55 B8R1.4 BrC1=CC(I)=NC=C1 A10666 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.4 CC1=CC(I)=NC=C1 D87895 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.4 CC1=CC=NC(I)=N1 N13215 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.4 CC1=NC(N)=CN=N1 D86296 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.4 ClC1=CC=NC(Br)=N1 81850 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.4 FC1=NC=CC(Br)=N1 AT18301 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.4 NC1=CC=CC(=S)N1 C15708 [1,0,0,0,0,0|1,1,0]=3 62 B8R1.4 NC1=NC(Cl)=NN=C1 92269 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.4 O=C1C=C(S)NC=N1 FD7370 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.4 O=C1C=CNC(=O)O1 C15625 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.5 BrC1=CN=CN=C1I P11647 [1,0,0,0,0,0|1,1,1]=4 66 B8R1.5 CC1=CN=CN=C1Cl 72600 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.5 FC1=C(F)C=NC=C1 O10910 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.5 FC1=CC=CN=C1S AT18759 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.5 NC1=C(S)C=NC=C1 P11896 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.5 O=C1NC=NC=C1Cl P12334 [1,0,0,0,0,0|1,1,0]=3 71 B8R1.5 O=C1NC=NC=C1I P13009 [1,0,0,0,0,0|1,1,0]=3 72 B8R1.5 OC1=C(Cl)C=NC=N1 25825 [1,0,0,0,0,0|1,1,1]=4 73 B10R1.22 CC1=C(I)C(=O)NC(=O)N1 62784 [0,1,0,0,0,0|1,1,1]=4 74 B10R1.22 CC1=CC(Br)=CC(N)=C1F 55937 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.22 CC1=NC(Cl)=C(I)C(N)=N1 79827 [0,1,0,0,0,0|1,1,1]=4 76 B10R1.22 CC1=NC(N)=NC(N)=C1C C16270 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.22 CC1=NC(N)=NC(N)=C1I D76646 [0,1,0,0,0,0|1,1,1]=4 78 B10R1.22 FC1=CC(F)=C(F)C(F)=N1 F21459 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.22 NC1=C(N)C(=O)NC(=O)N1 F14724 [0,1,0,0,0,0|1,0,1]=3 80 B10R1.22 NC1=C(N)C(=S)NC(=S)N1 D73960 [0,1,0,0,0,0|1,1,1]=4 81 B10R1.22 NC1=CC(Br)=CC(Cl)=C1F CL9735 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.22 NC1=CC(Br)=CC(F)=C1F C90856 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.22 NC1=CC(Br)=NC(Cl)=C1N 90688 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.22 NC1=CC(Cl)=NC(Cl)=C1I W17950 [0,1,0,0,0,0|2,1,0]=4 85 B10R1.22 NC1=NC(Cl)=C(I)C(N)=N1 D76468 [0,1,0,0,0,0|1,1,1]=4 86 B10R1.22 NC1=NC(N)=C(N)C(O)=N1 F16067 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.22 [2H]C1=C([2H])C(=O)NC(=O)N1 D99093 [0,1,0,0,0,0|2,0,1]=4 88 B10R1.22 [2H]C1=NC(=O)NC(N)=C1[2H] D99405 [0,1,0,0,0,0|1,0,0]=2 89 B10R1.25 CC1=CC(N)=C(C#N)C=N1 P18774 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.25 CC1=NC(N)=C(CCl)C=N1 H11127 [0,1,0,0,0,0|1,1,1]=4 91 B10R1.25 CNC1=CN=C(Br)C=C1N 53659 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.25 NC1=NC(N)=C(CO)C=N1 C15785 [0,1,0,0,0,0|2,0,1]=4 93 B10R1.25 NC1=NC=C(C=O)C(=O)N1 D75895 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.25 NCC1=C(N)N=C(N)N=C1 C15813 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.25 [3H]CC1=CNC(=O)NC1=O F20731 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.30 C#CC1=CC(Cl)=NC=C1F C14360 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.30 CNC1=C(Br)C=NC(Cl)=N1 84354 [0,1,0,0,0,0|1,1,1]=4 98 B10R1.30 CNC1=C(Cl)C=NC(Cl)=N1 83928 [0,1,0,0,0,0|1,1,1]=4 99 B10R1.30 CNC1=C(F)C=CC(Br)=C1 AC3023 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.30 CNC1=C(I)C=NC(Cl)=N1 F30750 [0,1,0,0,0,0|1,1,1]=4 101 B10R1.30 CNC1=C(N)C=NC(Cl)=N1 AC4727 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.30 CNC1=CC(Cl)=NC=C1F F13412 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.30 COC1=CC(Br)=NC=C1F AT26883 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.30 N#CC1=CC(Cl)=NC=C1F AT22002 [0,1,0,0,0,0|2,0,1]=4 105 B10R1.30 NCC1=C(F)C=CC(N)=C1 AC9197 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.30 NNC1=C(F)C=CC(Cl)=C1 A51221 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.118 CC1=C(Cl)C=C(N)C(F)=C1 F13823 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.118 CC1=C(Cl)C=C(N)C(F)=C1 F13824 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.118 CN1C=C(F)C(=O)NC1=O AT19357 [0,1,0,0,0,0|1,0,1]=3 110 B10R1.118 CN1C=C(N)C(=O)NC1=O AT19351 [0,1,0,0,0,0|2,0,1]=4 111 B10R1.118 NC1=CC(F)=C(O)C=C1F AC9755 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.118 NC1=CC(I)=C(O)C=C1F AC1882 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.118 NC1=NC(F)=C(Br)C=C1F E71909 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.118 NC1=NC(F)=C(Cl)C=C1F E71847 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.119 CC1=CN=C(Cl)C(N)=C1N O10740 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.119 CN1C(=O)C=CC(Br)=C1Cl AC8970 [0,1,0,0,0,0|2,1,0]=4 117 B10R1.119 FC1=CN=C(F)C(F)=C1I O10562 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.119 NC1=C(Cl)C(Cl)=CC=C1F 95645 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.119 NC1=C(Cl)C(F)=CC=C1F D96225 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.119 NC1=C(F)C=CC(Br)=C1Cl AT10552 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.119 NC1=C(I)C=NC(Cl)=C1N P13293 [0,1,0,0,0,0|2,1,0]=4 122 B10R1.176 CCC1=CC(N)=C(Br)C=N1 C14681 [0,1,0,0,0,0|2,1,0]=4 123 B10R1.176 CNC1=NC(N)=C(Br)C=N1 AC2848 [0,1,0,0,0,0|1,1,1]=4 124 B8R1.18 CC1=C(C)OC(=O)N1 AT18454 [0,0,0,0,1,0|3,0,0]=4 125 B8R1.18 CC1=CC(=O)NN1C AT14000 [0,0,0,0,1,0|3,0,0]=4 126 B8R1.50 CN1N=CC(I)=C1N AT14123 [0,0,0,0,1,0|2,1,0]=4 127 B8R1.50 CN1N=CC(N)=C1N A10126 [0,0,0,0,1,0|3,0,0]=4 128 B7R1.3 ClC1=CC=NC=C1 F17303 [2,0,0,0,0,0|2,0,0]=4 129 B7R1.3 ClC1=NC=CC=N1 F20795 [2,0,0,0,0,0|1,0,1]=4 130 B7R1.3 ClC1=NC=NC=C1 F18311 [2,0,0,0,0,0|1,0,1]=4 131 B7R1.3 FC1=CC=NC=C1 F19691 [2,0,0,0,0,0|2,0,0]=4 132 B7R1.3 FC1=CN=CN=C1 F14737 [2,0,0,0,0,0|0,0,1]=3 133 B7R1.3 F[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 40525 [2,0,0,0,0,0|2,0,0]=4 134 B7R1.3 IC1=NC=NC=C1 C15557 [2,0,0,0,0,0|1,0,1]=4 135 B7R1.3 O=C1C=NN=CN1 F30273 [2,0,0,0,0,0|2,0,0]=4 136 B7R1.3 [15NH2]C1=CC=CC=C1 41405 [2,0,0,0,0,0|2,0,0]=4 137 B7R1.3 [2H]C1=CC=NC=C1 D98795 [2,0,0,0,0,0|2,0,0]=4 138 B7R1.3 [2H]C1=NC=CC=C1 D98277 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.1 C#CC1=NC=C(F)C=N1 AT18276 [1,1,0,0,0,0|1,0,1]=4 140 B9R1.1 CNC1=NC=C(F)C=N1 AT18273 [1,1,0,0,0,0|1,0,1]=4 141 B9R1.1 FC1=CN=C(CCl)C=C1 P19178 [1,1,0,0,0,0|2,0,0]=4 142 B9R1.1 NCC1=NC=C(F)C=C1 83593 [1,1,0,0,0,0|2,0,0]=4 143 B9R1.1 NCC1=NC=C(F)C=N1 W11735 [1,1,0,0,0,0|1,0,1]=4 144 B9R1.1 O=CC1=CN=C(F)C=N1 P15039 [1,1,0,0,0,0|2,0,0]=4 145 B9R1.1 O=CC1=NC=C(Br)C=N1 38375 [1,1,0,0,0,0|0,1,1]=4 146 B9R1.2 CC1=NC=CC(CN)=N1 F14224 [1,1,0,0,0,0|1,0,1]=4 147 B9R1.2 CC1=NC=CC(NN)=C1 F16202 [1,1,0,0,0,0|2,0,0]=4 148 B9R1.2 CNC1=NC=CC(N)=C1 F12690 [1,1,0,0,0,0|2,0,0]=4 149 B9R1.2 NCC1=CC(=O)NC=C1 37540 [1,1,0,0,0,0|1,0,1]=4 150 B9R1.2 NCC1=CC(F)=NC=C1 W18404 [1,1,0,0,0,0|2,0,0]=4 151 B9R1.2 NCC1=CC(N)=NC=C1 AC6477 [1,1,0,0,0,0|2,0,0]=4 152 B9R1.2 NCC1=NC=CC(N)=C1 77886 [1,1,0,0,0,0|2,0,0]=4 153 B9R1.2 NNC1=CC=NC(O)=N1 S10644 [1,1,0,0,0,0|0,0,2]=4 154 B9R1.2 NNC1=NC(=O)NC=C1 H10062 [1,1,0,0,0,0|0,0,2]=4 155 B9R1.3 CC1=NC=CC(N)=C1Br D96170 [1,1,0,0,0,0|2,0,0]=4 156 B9R1.3 CN1C(=O)C=CN=C1N AT13875 [1,1,0,0,0,0|2,0,0]=4 157 B9R1.3 NC1=C(F)C(=O)NC=C1 F18691 [1,1,0,0,0,0|1,0,1]=4 158 B9R1.3 NC1=NC=CC(N)=C1N 98115 [1,1,0,0,0,0|2,0,0]=4 159 B9R1.3 NC1=NC=CC(N)=C1N CS1386 [1,1,0,0,0,0|2,0,0]=4 160 B9R1.34 CC1=CC(N)=CC(=O)O1 W11226 [1,1,0,0,0,0|2,0,0]=4 161 B9R1.34 CC1=CC(N)=CC(O)=N1 D80759 [1,1,0,0,0,0|1,0,1]=4 162 B9R1.34 NC1=CC(Cl)=NC(=O)N1 90675 [1,1,0,0,0,0|0,0,0]=2 163 B9R1.34 NC1=CC(N)=NC(O)=N1 H10201 [1,1,0,0,0,0|0,0,2]=4 164 B9R1.34 O=C1C=C(Cl)N=C(Cl)N1 26535 [1,1,0,0,0,0|2,0,0]=4 165 B9R1.15 CNC1=C(F)C=NC=N1 AT18309 [1,1,0,0,0,0|0,0,1]=3 166 B9R1.15 CNC1=C(I)C=NC=N1 AT18314 [1,1,0,0,0,0|0,1,1]=4 167 B9R1.15 NC1=C(C=O)C=NC=C1 W12249 [1,1,0,0,0,0|2,0,0]=4 168 B9R1.15 NC1=C(CO)C=NC=N1 AT18389 [1,1,0,0,0,0|1,0,1]=4 169 B9R1.15 NCC1=C(Br)C=NC=C1 98160 [1,1,0,0,0,0|1,1,0]=4 170 B11R1.14 CSC1=NC(C)=C(F)C(=O)N1 H11546 [0,2,0,0,0,0|1,1,0]=4 171 B11R1.32 CC1=C(N)N(C)C(=O)NC1=O AT19385 [0,2,0,0,0,0|1,0,1]=4 172 B11R1.32 CN1C(=O)NC(=O)C(Br)=C1N AT19366 [0,2,0,0,0,0|0,1,1]=4 173 B11R1.32 NC1=C(F)C(=O)NC(F)=C1F F18692 [0,2,0,0,0,0|1,0,1]=4 174 B11R1.21 NC1=C(Cl)C=NC(C(=O)O)=C1 AT24933 [0,2,0,0,0,0|1,1,0]=4 175 B11R2.36 O=C1N=CC2=C(NC=C2)N1 D73411 [0,1,0,1,0,0|1,0,0]=3 176 B7R1.2 BrC1=CN=C(I)N1 P17529 [1,0,0,0,1,0|1,1,0]=4 177 B7R1.2 BrC1=CNC(Br)=N1 C16160 [1,0,0,0,1,0|1,1,0]=4 178 B7R1.2 CC1=CN=C(N)N1 27977 [1,0,0,0,1,0|2,0,0]=4 179 B7R1.2 CN1C=C(F)C=N1 D79458 [1,0,0,0,1,0|2,0,0]=4 180 B7R1.2 CN1C=NC(=O)N1 AT21263 [1,0,0,0,1,0|2,0,0]=4 181 B7R1.2 O=C1C=C(O)CN1 F14818 [1,0,0,0,1,0|1,0,1]=4 182 B7R1.2 O=C1NC(O)=CS1 D73417 [1,0,0,0,1,0|2,0,0]=4 183 B7R1.4 CC1=NOC=C1N AT19806 [1,0,0,0,1,0|2,0,0]=4 184 B7R1.4 NC1=C(Cl)SC=C1 AT16569 [1,0,0,0,1,0|2,0,0]=4 185 B7R1.4 NC1=CNN=C1N 37367 [1,0,0,0,1,0|2,0,0]=4