0 B10R1.25 C#CC1=NC=C(C)C=C1N E8223 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.25 CC1=C(C#N)C=CC(Br)=N1 B44757 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.25 CC1=C(C#N)C=CC(Cl)=N1 C69365 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.25 CC1=C(C=O)C=CC(Cl)=N1 C45486 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.25 CC1=C(C=O)C=CC(F)=N1 F45499 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.25 CC1=C(CBr)C=CC(Br)=C1 B48758 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.25 CC1=C(CF)C=CC(Br)=C1 B48770 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.25 CC1=C(CN)C=CC(Br)=C1 B46736 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.25 CC1=C(CN)C=CC(Br)=C1 B46744 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.25 CC1=C(CO)C=CC(Br)=C1 B61046 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.25 CC1=C(CO)C=CC(F)=N1 F46222 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.25 CC1=C(CO)C=CC(N)=C1 A39080 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.25 CC1=CC(Br)=C(C#N)N=C1 B44752 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.25 CC1=CC(Br)=CN=C1C#N B20439 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.25 CC1=CC(Br)=CN=C1C=O B61323 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.25 CC1=CC(Br)=CN=C1CN B46293 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.25 CC1=CC(C)=C(C=O)C=C1 D49874 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.25 CC1=CC(C)=C(CBr)C=C1 B49966 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.25 CC1=CC(C)=C(CO)C=C1 D50273 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.25 CC1=CC(C)=C(NN)C=C1 D49534 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 C46753 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.25 CC1=CC(Cl)=CN=C1C#N C44782 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.25 CC1=CC(N)=C(CO)C=C1 A46913 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.25 CC1=CC(O)=CN=C1C#N H45224 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.25 CC1=CC=C(C#N)C(Br)=N1 B14778 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.25 CC1=CC=C(C#N)C(Cl)=N1 C12889 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.25 CC1=CC=C(C=O)C(Cl)=N1 C45484 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.25 CC1=CC=C(CBr)C(Br)=N1 B45763 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.25 CC1=CN=C(CCl)C(C)=C1 C38639 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.25 CC1=CN=C(CO)C(C)=C1 D46914 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.25 CC1=NC(=O)C(CO)=CN1 H43232 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.25 CC1=NC(C)=C(CO)C=C1 D64003 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.25 CC1=NC(N)=C(CO)C=N1 A67768 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.25 CC1=NC=C(CN)C(N)=N1 A61754 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 C46746 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.25 CCC1=C(Cl)N=C(Cl)N=C1 D38805 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.25 CCC1=C(F)C=C(O)C=C1 E65621 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.25 CCC1=C(N)C=C(Br)C=C1 B46721 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.25 CCC1=C(N)C=C(Cl)C=C1 C46745 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.25 CCC1=NC=C(Br)C=C1N A11260 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.25 CCC1=NC=C(Cl)N=C1Cl D42741 [0,0,0,0,0,0|2,0,0]=2 41 B10R1.25 CNC1=C(Br)C=C(C)C=C1 B46730 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.25 CNC1=NC=C(Br)C=C1N B26263 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.25 COC1=C(Br)C=C(Br)C=N1 D42633 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.25 COC1=C(Br)C=C(C)C=N1 B46168 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.25 COC1=C(Br)C=C(Cl)C=N1 B16110 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.25 COC1=C(Br)C=C(F)C=N1 B42652 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.25 COC1=C(Br)C=C(N)C=N1 B43055 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.25 COC1=C(Br)C=C(O)C=N1 B42852 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.25 COC1=C(Br)N=C(I)C=C1 B36842 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.25 COC1=C(C)C=C(Br)C=C1 B49440 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.25 COC1=C(C)C=C(C)C=C1 D50266 [0,0,0,0,0,0|3,0,0]=3 52 B10R1.25 COC1=C(C)C=C(F)C=C1 F49467 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.25 COC1=C(C)C=C(I)C=C1 K49474 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.25 COC1=C(C)C=C(N)C=C1 M46909 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.25 COC1=C(C)C=C(O)C=C1 M38275 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.25 COC1=C(C)C=C([Mg+])C=C1 M31769 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.25 COC1=C(C)N=C(Br)C=C1 B46175 [0,0,0,0,0,0|3,0,0]=3 58 B10R1.25 COC1=C(C)N=C(Cl)N=C1 C43074 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.25 COC1=C(Cl)C=C(C)C=N1 C46202 [0,0,0,0,0,0|3,0,0]=3 60 B10R1.25 COC1=C(Cl)C=C(N)C=N1 C43070 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.25 COC1=C(F)C=C(N)C=N1 A43085 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.25 COC1=C(I)C=C(Br)C=N1 B42657 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.25 COC1=C(I)C=C(C)C=C1 K62337 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.25 COC1=C(N)N=C(Br)C=C1 B36893 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.25 COC1=C(N)N=C(F)C=C1 F43084 [0,0,0,0,0,0|4,0,0]=4 66 B10R1.25 COC1=C([Mg+])C=C(C)C=C1 M31765 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.25 COC1=CC=C(Br)N=C1Br D42631 [0,0,0,0,0,0|4,0,0]=4 68 B10R1.25 COC1=CC=C(C)N=C1Br B3731 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.25 COC1=CC=C(C)N=C1Cl C46200 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.25 COC1=CC=C(Cl)N=C1Br B42641 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.25 COC1=CC=C(N)N=C1Cl C10744 [0,0,0,0,0,0|4,0,0]=4 72 B10R1.25 COC1=NC=C(Br)C=C1C B46172 [0,0,0,0,0,0|3,0,0]=3 73 B10R1.25 COC1=NC=C(Br)C=C1Cl B42648 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.25 COC1=NC=C(Br)C=C1F B42654 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.25 COC1=NC=C(Br)C=C1N B7645 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.25 COC1=NC=C(Br)C=C1O B10651 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.25 COC1=NC=C(Cl)C=C1F C69055 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.25 COC1=NC=C(F)C=C1C F46221 [0,0,0,0,0,0|3,0,0]=3 79 B10R1.25 COC1=NC=C(F)C=C1N F37439 [0,0,0,0,0,0|4,0,0]=4 80 B10R1.25 COC1=NC=C(N)C=C1C M43642 [0,0,0,0,0,0|3,0,0]=3 81 B10R1.25 COC1=NN=C(Cl)C=C1C C43076 [0,0,0,0,0,0|4,0,0]=4 82 B10R1.25 CSC1=NC=C(Cl)N=C1Cl D20240 [0,0,0,0,0,0|3,0,0]=3 83 B10R1.25 N#CC1=NC=C(Cl)N=C1Cl D11544 [0,0,0,0,0,0|3,0,1]=4 84 B10R1.25 N#CC1=NC=C(N)N=C1Cl A62103 [0,0,0,0,0,0|3,0,1]=4 85 B10R1.25 NC1=CC(Br)=CN=C1CO A12038 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.25 NC1=CC(Cl)=CN=C1CO A59939 [0,0,0,0,0,0|4,0,0]=4 87 B10R1.25 NCC1=C(F)C=C(F)C=N1 D43571 [0,0,0,0,0,0|4,0,0]=4 88 B10R1.25 NCC1=NC=C(Br)C=C1F A12623 [0,0,0,0,0,0|4,0,0]=4 89 B10R1.25 NCC1=NC=C(Br)C=C1F B27080 [0,0,0,0,0,0|4,0,0]=4 90 B10R1.25 NCC1=NC=C(Cl)N=C1Cl D62358 [0,0,0,0,0,0|3,0,0]=3 91 B10R1.25 OCC1=C(Br)C=C(Cl)C=N1 B17743 [0,0,0,0,0,0|4,0,0]=4 92 B10R1.25 OCC1=C(Cl)C=C(Cl)C=N1 D6829 [0,0,0,0,0,0|4,0,0]=4 93 B10R1.25 OCC1=CC=C(Br)N=C1Br D42635 [0,0,0,0,0,0|4,0,0]=4 94 B10R1.25 OCC1=CC=C(Cl)N=C1Cl D0718 [0,0,0,0,0,0|4,0,0]=4 95 B10R1.25 OCC1=NC=C(Br)C=C1Cl B42651 [0,0,0,0,0,0|4,0,0]=4 96 B10R1.25 OCC1=NC=C(Br)C=C1F B0544 [0,0,0,0,0,0|4,0,0]=4 97 B10R1.25 OCC1=NC=C(Cl)C=C1F C13727 [0,0,0,0,0,0|4,0,0]=4 98 B9R1.1 BrCC1=NC=C(Br)C=C1 B42521 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.1 C=CC1=CN=C(C)C=C1 M11564 [1,0,0,0,0,0|1,0,2]=4 100 B9R1.1 CC1=CC=C(CN)C=C1 M69544 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.1 CC1=CC=C(CN)N=N1 M0158 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.1 CC1=CC=C(CN)N=N1 M27037 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.1 CC1=CC=C(CO)C=C1 T37852 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.1 CC1=CN=C(C#N)C=C1 C4792 [1,0,0,0,0,0|2,0,1]=4 105 B9R1.1 CC1=CN=C(C#N)C=N1 M42468 [1,0,0,0,0,0|1,0,1]=3 106 B9R1.1 CC1=CN=C(C=O)C=C1 M3063 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.1 CC1=CN=C(C=O)C=N1 M14618 [1,0,0,0,0,0|1,0,1]=3 108 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.1 CC1=CN=C(CCl)C=N1 C11548 [1,0,0,0,0,0|1,0,0]=2 110 B9R1.1 CC1=CN=C(CCl)C=N1 C43004 [1,0,0,0,0,0|1,0,0]=2 111 B9R1.1 CC1=CN=C(CCl)N=C1 C14428 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.1 CC1=CN=C(CCl)N=C1 C8015 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.1 CC1=CN=C(CN)C=N1 A3139 [1,0,0,0,0,0|1,0,0]=2 116 B9R1.1 CC1=CN=C(CN)N=C1 M11333 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.1 CC1=CN=C(CO)C=N1 M43210 [1,0,0,0,0,0|1,0,0]=2 118 B9R1.1 CC1=CN=C(CO)N=C1 H11473 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.1 CC1=CN=C(NN)C=C1 H63578 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.1 CC1=NC=C(C#N)C=C1 M12704 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.1 CC1=NC=C(C=O)C=C1 M0419 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.1 CC1=NC=C(CBr)C=C1 B46089 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.1 CC1=NC=C(CBr)C=N1 B42978 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.1 CC1=NC=C(CCl)C=C1 C46111 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.1 CC1=NC=C(CCl)C=N1 C19650 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.1 CC1=NC=C(CN)C=C1 M0572 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.1 CC1=NC=C(CN)C=N1 A1723 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.1 CC1=NC=C(CO)C=C1 M15722 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.1 CC1=NC=C(CO)C=N1 H12381 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.1 CC1=NC=C(NN)C=C1 H14024 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [1,0,0,0,0,0|2,0,0]=3 136 B9R1.1 CCC1=CN=C(Cl)N=C1 E11897 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.1 CCC1=CN=C(N)N=C1 E28664 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.1 CCC1=NC=C(Br)C=N1 B36933 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.1 CCC1=NC=C(N)C=N1 A11320 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.1 CNC1=CC=C(C)C=C1 D39432 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.1 CNC1=NC=C(Br)C=C1 B42975 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [1,0,0,0,0,0|2,0,0]=3 148 B9R1.1 CNC1=NC=C(F)C=C1 F32100 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.1 CNC1=NC=C(N)C=C1 M43342 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.1 CNC1=NC=C(N)C=C1 M43545 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.1 COC1=CN=C(Br)C=C1 B5045 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.1 COC1=CN=C(Br)C=N1 B14594 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.1 COC1=CN=C(Cl)C=C1 C19386 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.1 COC1=CN=C(Cl)C=N1 C14595 [1,0,0,0,0,0|2,0,0]=3 155 B9R1.1 COC1=CN=C(F)C=C1 F42925 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.1 COC1=CN=C(I)C=C1 I5931 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.1 COC1=CN=C(N)C=C1 A10497 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.1 COC1=NC=C(Br)C=C1 B9550 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.1 COC1=NC=C(C)C=C1 M67554 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.1 COC1=NC=C(Cl)C=C1 C42903 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.1 COC1=NC=C(F)C=C1 F24011 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.1 COC1=NC=C(I)C=C1 K42935 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.1 COC1=NC=C(N)C=C1 A12692 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.1 COC1=NC=C(N)N=C1 M9733 [1,0,0,0,0,0|2,0,0]=3 165 B9R1.1 COC1=NC=C(O)C=C1 H43140 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.1 COC1=NN=C(C)C=C1 M43203 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.1 CSC1=CN=C(Br)C=N1 B40873 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.1 CSC1=CN=C(N)C=C1 A43262 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.1 CSC1=NC=C(Br)C=C1 B2646 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.1 ClC1=CN=C(CBr)C=C1 B42537 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.1 ClCC1=CN=C(Br)C=C1 B42528 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.1 ClCC1=CN=C(Br)C=C1 B42539 [1,0,0,0,0,0|3,0,0]=4 173 B9R1.1 ClCC1=CN=C(Cl)C=N1 C40730 [1,0,0,0,0,0|2,0,0]=3 174 B9R1.1 ClCC1=NC=C(Br)C=C1 B42540 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.1 ClCC1=NC=C(Br)C=C1 B61533 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.1 ClCC1=NC=C(Cl)C=C1 C14676 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.1 ClCC1=NC=C(Cl)C=C1 C42565 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.1 FC1=NC=C(CBr)C=C1 B39061 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.1 FC1=NC=C(CBr)C=C1 B7888 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.1 FC1=NC=C(CCl)C=C1 C7887 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.1 N#CC1=CN=C(Br)C=N1 B3579 [1,0,0,0,0,0|2,0,1]=4 182 B9R1.1 N#CC1=CN=C(Cl)C=N1 C4890 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.1 N#CC1=NC=C(N)N=C1 A3818 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.1 NC1=CN=C(C=O)C=N1 A63812 [1,0,0,0,0,0|2,0,1]=4 185 B9R1.1 NC1=NC=C(CO)C=C1 A0345 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.1 NCC1=CN=C(Br)C=C1 B42976 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.1 NCC1=CN=C(Cl)C=C1 A0585 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.1 NCC1=CN=C(F)C=C1 A13990 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.1 NCC1=NC=C(Br)C=C1 B15775 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.1 NCC1=NC=C(Br)C=C1 B42983 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.1 NCC1=NC=C(Br)C=C1 B7021 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.1 NCC1=NC=C(Cl)C=C1 C43002 [1,0,0,0,0,0|3,0,0]=4 193 B9R1.1 NCC1=NC=C(Cl)C=C1 C43003 [1,0,0,0,0,0|3,0,0]=4 194 B9R1.1 NCC1=NC=C(N)C=C1 A36932 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.1 NNC1=CN=C(Cl)C=N1 C14613 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.1 O=CC1=CN=C(Cl)C=N1 C12389 [1,0,0,0,0,0|2,0,1]=4 197 B9R1.1 OCC1=CN=C(Br)C=C1 B12392 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.1 OCC1=CN=C(Cl)C=C1 C9389 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.1 OCC1=CN=C(Cl)C=N1 C1534 [1,0,0,0,0,0|2,0,0]=3 200 B9R1.1 OCC1=CN=C(F)C=C1 F13989 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.1 OCC1=NC=C(Br)C=C1 B3203 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.1 OCC1=NC=C(Cl)C=C1 C22297 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.1 OCC1=NC=C(F)C=C1 F0644 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.15 BrCC1=C(Br)C=CC=N1 B32048 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.15 C#CC1=NC=CN=C1Cl C63547 [1,0,0,0,0,0|1,0,2]=4 206 B9R1.15 CC1=C(C#N)C=CC=N1 C10623 [1,0,0,0,0,0|2,0,1]=4 207 B9R1.15 CC1=C(C=O)C=CC=N1 M1759 [1,0,0,0,0,0|2,0,1]=4 208 B9R1.15 CC1=C(CBr)C=CC=N1 B15311 [1,0,0,0,0,0|2,0,0]=3 209 B9R1.15 CC1=C(CCl)C=CC=N1 C14756 [1,0,0,0,0,0|2,0,0]=3 210 B9R1.15 CC1=C(CN)C=CC=C1 M65907 [1,0,0,0,0,0|3,0,0]=4 211 B9R1.15 CC1=C(CN)N=NC=C1 M60279 [1,0,0,0,0,0|3,0,0]=4 212 B9R1.15 CC1=C(CO)C=CN=N1 M63840 [1,0,0,0,0,0|3,0,0]=4 213 B9R1.15 CC1=CC=CN=C1C#N M29764 [1,0,0,0,0,0|2,0,1]=4 214 B9R1.15 CC1=CC=CN=C1C=O M1872 [1,0,0,0,0,0|2,0,1]=4 215 B9R1.15 CC1=CC=CN=C1CCl C14758 [1,0,0,0,0,0|2,0,0]=3 216 B9R1.15 CC1=CC=CN=C1CCl C46105 [1,0,0,0,0,0|2,0,0]=3 217 B9R1.15 CC1=CC=CN=C1CN M46460 [1,0,0,0,0,0|2,0,0]=3 218 B9R1.15 CC1=CC=CN=C1CO H46388 [1,0,0,0,0,0|2,0,0]=3 219 B9R1.15 CC1=NC=CN=C1C=O M14617 [1,0,0,0,0,0|1,0,1]=3 220 B9R1.15 CC1=NC=CN=C1CCl C14615 [1,0,0,0,0,0|1,0,0]=2 221 B9R1.15 CC1=NC=CN=C1CN A11549 [1,0,0,0,0,0|1,0,0]=2 222 B9R1.15 CC1=NC=CN=C1CO H14616 [1,0,0,0,0,0|1,0,0]=2 223 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.15 CCC1=C(Br)C=CC=N1 B23432 [1,0,0,0,0,0|2,0,0]=3 225 B9R1.15 CCC1=C(Br)C=NC=N1 B42964 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [1,0,0,0,0,0|2,0,0]=3 227 B9R1.15 CCC1=C(F)C=NC=N1 E0673 [1,0,0,0,0,0|3,0,0]=4 228 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [1,0,0,0,0,0|3,0,0]=4 229 B9R1.15 CCC1=CN=CN=C1Cl C42985 [1,0,0,0,0,0|3,0,0]=4 230 B9R1.15 CCC1=NC=CN=C1C E43603 [1,0,0,0,0,0|0,0,0]=1 231 B9R1.15 CCC1=NC=CN=C1Cl C38966 [1,0,0,0,0,0|1,0,0]=2 232 B9R1.15 CCC1=NC=CN=C1N E43328 [1,0,0,0,0,0|1,0,0]=2 233 B9R1.15 CCC1=NC=CNC1=O E43188 [1,0,0,0,0,0|1,0,1]=3 234 B9R1.15 CNC1=C(C)C=CC=C1 D46860 [1,0,0,0,0,0|3,0,0]=4 235 B9R1.15 CNC1=C(Cl)C=CC=N1 C42995 [1,0,0,0,0,0|3,0,0]=4 236 B9R1.15 CNC1=CC=CN=C1Cl C42994 [1,0,0,0,0,0|3,0,0]=4 237 B9R1.15 CNC1=CC=CN=C1N M62813 [1,0,0,0,0,0|3,0,0]=4 238 B9R1.15 CNC1=NC=CC=C1N M43341 [1,0,0,0,0,0|3,0,0]=4 239 B9R1.15 CNC1=NC=CN=C1N M63361 [1,0,0,0,0,0|2,0,0]=3 240 B9R1.15 COC1=C(Br)C=CC=N1 B12855 [1,0,0,0,0,0|3,0,0]=4 241 B9R1.15 COC1=C(Cl)C=CC=N1 C42900 [1,0,0,0,0,0|3,0,0]=4 242 B9R1.15 COC1=C(F)C=CC=N1 F42926 [1,0,0,0,0,0|3,0,0]=4 243 B9R1.15 COC1=C(I)C=CC=N1 K42933 [1,0,0,0,0,0|3,0,0]=4 244 B9R1.15 COC1=C(N)N=CC=C1 A69248 [1,0,0,0,0,0|3,0,0]=4 245 B9R1.15 COC1=CC=CN=C1Br B4536 [1,0,0,0,0,0|3,0,0]=4 246 B9R1.15 COC1=CC=CN=C1Cl C24085 [1,0,0,0,0,0|3,0,0]=4 247 B9R1.15 COC1=CC=CN=C1F F42924 [1,0,0,0,0,0|3,0,0]=4 248 B9R1.15 COC1=CC=CN=C1I K62151 [1,0,0,0,0,0|3,0,0]=4 249 B9R1.15 COC1=NC=CC=C1C M46378 [1,0,0,0,0,0|2,0,0]=3 250 B9R1.15 COC1=NC=CC=C1N A12743 [1,0,0,0,0,0|3,0,0]=4 251 B9R1.15 COC1=NC=CN=C1Br B40912 [1,0,0,0,0,0|2,0,0]=3 252 B9R1.15 COC1=NC=CN=C1C M39278 [1,0,0,0,0,0|1,0,0]=2 253 B9R1.15 COC1=NC=CN=C1Cl C1053 [1,0,0,0,0,0|2,0,0]=3 254 B9R1.15 COC1=NC=CN=C1I I3006 [1,0,0,0,0,0|2,0,0]=3 255 B9R1.15 COC1=NC=CN=C1N M32096 [1,0,0,0,0,0|2,0,0]=3 256 B9R1.15 CSC1=C(F)N=CC=C1 F42849 [1,0,0,0,0,0|3,0,0]=4 257 B9R1.15 CSC1=NC=CN=C1C M43263 [1,0,0,0,0,0|1,0,0]=2 258 B9R1.15 ClCC1=C(Br)C=CC=N1 B42529 [1,0,0,0,0,0|3,0,0]=4 259 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42563 [1,0,0,0,0,0|3,0,0]=4 260 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42564 [1,0,0,0,0,0|3,0,0]=4 261 B9R1.15 ClCC1=CC=CN=C1Cl C7688 [1,0,0,0,0,0|3,0,0]=4 262 B9R1.15 ClCC1=NC=CN=C1Cl C12594 [1,0,0,0,0,0|2,0,0]=3 263 B9R1.15 FC1=CC=CN=C1CBr B19661 [1,0,0,0,0,0|3,0,0]=4 264 B9R1.15 FC1=CC=CN=C1CBr B7783 [1,0,0,0,0,0|3,0,0]=4 265 B9R1.15 FC1=CC=CN=C1CCl C13988 [1,0,0,0,0,0|3,0,0]=4 266 B9R1.15 N#CC1=NC=CN=C1Cl C0571 [1,0,0,0,0,0|2,0,1]=4 267 B9R1.15 N#CC1=NC=CN=C1N A40815 [1,0,0,0,0,0|2,0,1]=4 268 B9R1.15 NC1=C(CO)C=CC=N1 A12467 [1,0,0,0,0,0|3,0,0]=4 269 B9R1.15 NC1=CC=CN=C1CO A24069 [1,0,0,0,0,0|3,0,0]=4 270 B9R1.15 NC1=NC=CN=C1C=O A0269 [1,0,0,0,0,0|2,0,1]=4 271 B9R1.15 NCC1=C(Cl)C=CC=N1 A14307 [1,0,0,0,0,0|3,0,0]=4 272 B9R1.15 NCC1=C(Cl)C=CC=N1 C29809 [1,0,0,0,0,0|3,0,0]=4 273 B9R1.15 NCC1=C(F)C=CC=N1 A12648 [1,0,0,0,0,0|3,0,0]=4 274 B9R1.15 NCC1=C(F)C=CC=N1 A1712 [1,0,0,0,0,0|3,0,0]=4 275 B9R1.15 NCC1=C(F)C=CC=N1 F61824 [1,0,0,0,0,0|3,0,0]=4 276 B9R1.15 NCC1=C(O)C=CC=N1 A43199 [1,0,0,0,0,0|3,0,0]=4 277 B9R1.15 NCC1=CC=CN=C1Cl A10464 [1,0,0,0,0,0|3,0,0]=4 278 B9R1.15 NCC1=CC=CN=C1F F43528 [1,0,0,0,0,0|3,0,0]=4 279 B9R1.15 NCC1=NC=CN=C1Cl C25893 [1,0,0,0,0,0|2,0,0]=3 280 B9R1.15 NCC1=NC=CN=C1Cl C26687 [1,0,0,0,0,0|2,0,0]=3 281 B9R1.15 NNC1=NC=CN=C1Cl C12505 [1,0,0,0,0,0|3,0,0]=4 282 B9R1.15 O=CC1=NC=CN=C1Cl C12693 [1,0,0,0,0,0|2,0,1]=4 283 B9R1.15 OCC1=C(Br)C=CC=N1 B42889 [1,0,0,0,0,0|3,0,0]=4 284 B9R1.15 OCC1=C(Cl)C=CC=N1 C42910 [1,0,0,0,0,0|3,0,0]=4 285 B9R1.15 OCC1=C(F)C=CC=N1 F1706 [1,0,0,0,0,0|3,0,0]=4 286 B9R1.15 OCC1=C(O)C=CC=N1 H60848 [1,0,0,0,0,0|3,0,0]=4 287 B9R1.15 OCC1=CC=CN=C1Br B69414 [1,0,0,0,0,0|3,0,0]=4 288 B9R1.15 OCC1=CC=CN=C1Cl C0580 [1,0,0,0,0,0|3,0,0]=4 289 B9R1.15 OCC1=CC=CN=C1F F42930 [1,0,0,0,0,0|3,0,0]=4 290 B9R1.15 OCC1=NC=CN=C1Cl C1612 [1,0,0,0,0,0|2,0,0]=3 291 B9R1.69 CC1=C(Br)C=C(Br)C=N1 D15335 [1,0,0,0,0,0|3,0,0]=4 292 B9R1.69 CC1=C(Br)C=C(N)C=N1 B0530 [1,0,0,0,0,0|3,0,0]=4 293 B9R1.69 CC1=C(Br)C=C(O)C=N1 B22011 [1,0,0,0,0,0|3,0,0]=4 294 B9R1.69 CC1=C(Br)C=CC(Br)=N1 D23496 [1,0,0,0,0,0|3,0,0]=4 295 B9R1.69 CC1=C(Br)C=CC(Cl)=N1 B18652 [1,0,0,0,0,0|3,0,0]=4 296 B9R1.69 CC1=C(Br)C=CC(F)=N1 B42551 [1,0,0,0,0,0|3,0,0]=4 297 B9R1.69 CC1=C(Br)C=CC(N)=N1 B5097 [1,0,0,0,0,0|3,0,0]=4 298 B9R1.69 CC1=C(Br)C=CC(O)=N1 B42887 [1,0,0,0,0,0|3,0,0]=4 299 B9R1.69 CC1=C(C)C=C(F)C=C1 F49166 [1,0,0,0,0,0|3,0,0]=4 300 B9R1.69 CC1=C(C)C=C(I)C=C1 K49170 [1,0,0,0,0,0|3,0,0]=4 301 B9R1.69 CC1=C(C)C=C([Mg+])C=C1 D31727 [1,0,0,0,0,0|3,0,0]=4 302 B9R1.69 CC1=C(C)N=C(Br)C=N1 B42969 [1,0,0,0,0,0|1,0,0]=2 303 B9R1.69 CC1=C(C)N=C(Cl)C=C1 C46102 [1,0,0,0,0,0|2,0,0]=3 304 B9R1.69 CC1=C(C)N=C(Cl)C=N1 C42990 [1,0,0,0,0,0|1,0,0]=2 305 B9R1.69 CC1=C(C)N=C(N)C=C1 D24371 [1,0,0,0,0,0|2,0,0]=3 306 B9R1.69 CC1=C(C)N=C(N)C=N1 D24637 [1,0,0,0,0,0|1,0,0]=2 307 B9R1.69 CC1=C(C)N=C(N)N=C1 D43338 [1,0,0,0,0,0|3,0,0]=4 308 B9R1.69 CC1=C(C)NC(=O)C=N1 D43209 [1,0,0,0,0,0|1,0,1]=3 309 B9R1.69 CC1=C(Cl)C=C(O)C=N1 C42908 [1,0,0,0,0,0|3,0,0]=4 310 B9R1.69 CC1=C(Cl)C=CC(Br)=N1 B42536 [1,0,0,0,0,0|3,0,0]=4 311 B9R1.69 CC1=C(Cl)C=CC(Cl)=N1 D42561 [1,0,0,0,0,0|3,0,0]=4 312 B9R1.69 CC1=C(Cl)C=CC(N)=N1 C42999 [1,0,0,0,0,0|3,0,0]=4 313 B9R1.69 CC1=C(Cl)C=CC(O)=N1 C42907 [1,0,0,0,0,0|3,0,0]=4 314 B9R1.69 CC1=C(Cl)N=CC(Br)=N1 B63362 [1,0,0,0,0,0|2,0,0]=3 315 B9R1.69 CC1=C(F)C=CC(Br)=N1 B4782 [1,0,0,0,0,0|3,0,0]=4 316 B9R1.69 CC1=C(F)C=CC(Cl)=N1 C26077 [1,0,0,0,0,0|3,0,0]=4 317 B9R1.69 CC1=C(F)C=CC(N)=N1 A16597 [1,0,0,0,0,0|3,0,0]=4 318 B9R1.69 CC1=C(I)C=CC(F)=N1 F42596 [1,0,0,0,0,0|3,0,0]=4 319 B9R1.69 CC1=C(I)C=CC(N)=N1 K43025 [1,0,0,0,0,0|3,0,0]=4 320 B9R1.69 CC1=C(N)C=CC(Br)=N1 A15124 [1,0,0,0,0,0|3,0,0]=4 321 B9R1.69 CC1=C(N)C=CC(Cl)=N1 A15123 [1,0,0,0,0,0|3,0,0]=4 322 B9R1.69 CC1=C(N)N=C(Br)C=C1 B26268 [1,0,0,0,0,0|3,0,0]=4 323 B9R1.69 CC1=C(N)N=CC(Br)=N1 A37808 [1,0,0,0,0,0|2,0,0]=3 324 B9R1.69 CC1=C(O)C=CC(Br)=N1 B42888 [1,0,0,0,0,0|3,0,0]=4 325 B9R1.69 CC1=C(O)C=CC(Cl)=N1 C42909 [1,0,0,0,0,0|3,0,0]=4 326 B9R1.69 CC1=C(O)N=CC(Br)=N1 B37166 [1,0,0,0,0,0|2,0,0]=3 327 B9R1.69 CC1=CC(=O)NN=C1C D15899 [1,0,0,0,0,0|3,0,0]=4 328 B9R1.69 CC1=CC(Br)=C(C)C=C1 D39511 [1,0,0,0,0,0|3,0,0]=4 329 B9R1.69 CC1=CC(Br)=C(Cl)N=C1 B42532 [1,0,0,0,0,0|3,0,0]=4 330 B9R1.69 CC1=CC(Br)=C(F)N=C1 B2994 [1,0,0,0,0,0|3,0,0]=4 331 B9R1.69 CC1=CC(Br)=C(N)N=C1 B21800 [1,0,0,0,0,0|3,0,0]=4 332 B9R1.69 CC1=CC(Br)=C(O)N=C1 B21801 [1,0,0,0,0,0|3,0,0]=4 333 B9R1.69 CC1=CC(Br)=CN=C1Br D1477 [1,0,0,0,0,0|3,0,0]=4 334 B9R1.69 CC1=CC(Br)=CN=C1C B46085 [1,0,0,0,0,0|2,0,0]=3 335 B9R1.69 CC1=CC(Br)=CN=C1Cl B22875 [1,0,0,0,0,0|3,0,0]=4 336 B9R1.69 CC1=CC(Br)=CN=C1F B2992 [1,0,0,0,0,0|3,0,0]=4 337 B9R1.69 CC1=CC(Br)=CN=C1N B42973 [1,0,0,0,0,0|3,0,0]=4 338 B9R1.69 CC1=CC(C)=C(Br)C=C1 D39510 [1,0,0,0,0,0|3,0,0]=4 339 B9R1.69 CC1=CC(C)=C([Mg+])C=C1 D31735 [1,0,0,0,0,0|3,0,0]=4 340 B9R1.69 CC1=CC(C)=NN=C1Cl C1716 [1,0,0,0,0,0|3,0,0]=4 341 B9R1.69 CC1=CC(Cl)=C(N)N=C1 C61779 [1,0,0,0,0,0|3,0,0]=4 342 B9R1.69 CC1=CC(Cl)=CN=C1Br B8272 [1,0,0,0,0,0|3,0,0]=4 343 B9R1.69 CC1=CC(Cl)=CN=C1Cl D42560 [1,0,0,0,0,0|3,0,0]=4 344 B9R1.69 CC1=CC(Cl)=CN=C1N C42998 [1,0,0,0,0,0|3,0,0]=4 345 B9R1.69 CC1=CC(Cl)=CN=C1O C42905 [1,0,0,0,0,0|3,0,0]=4 346 B9R1.69 CC1=CC(F)=C(C)C=C1 F49165 [1,0,0,0,0,0|3,0,0]=4 347 B9R1.69 CC1=CC(F)=C(N)N=C1 F43015 [1,0,0,0,0,0|3,0,0]=4 348 B9R1.69 CC1=CC(F)=CN=C1Br B23405 [1,0,0,0,0,0|3,0,0]=4 349 B9R1.69 CC1=CC(F)=CN=C1Cl C42569 [1,0,0,0,0,0|3,0,0]=4 350 B9R1.69 CC1=CC(F)=CN=C1N F43018 [1,0,0,0,0,0|3,0,0]=4 351 B9R1.69 CC1=CC(I)=C(F)N=C1 F6510 [1,0,0,0,0,0|3,0,0]=4 352 B9R1.69 CC1=CC(I)=C(N)N=C1 I29765 [1,0,0,0,0,0|3,0,0]=4 353 B9R1.69 CC1=CC(I)=CN=C1Br B42556 [1,0,0,0,0,0|3,0,0]=4 354 B9R1.69 CC1=CC(I)=CN=C1Cl C42584 [1,0,0,0,0,0|3,0,0]=4 355 B9R1.69 CC1=CC(I)=CN=C1N K43024 [1,0,0,0,0,0|3,0,0]=4 356 B9R1.69 CC1=CC(I)=CN=C1O K42936 [1,0,0,0,0,0|3,0,0]=4 357 B9R1.69 CC1=CC(N)=CN=C1Br A42967 [1,0,0,0,0,0|3,0,0]=4 358 B9R1.69 CC1=CC(N)=CN=C1C D43613 [1,0,0,0,0,0|2,0,0]=3 359 B9R1.69 CC1=CC(N)=CN=C1Cl C23404 [1,0,0,0,0,0|3,0,0]=4 360 B9R1.69 CC1=CC(N)=CN=C1F F43017 [1,0,0,0,0,0|3,0,0]=4 361 B9R1.69 CC1=CC(O)=CN=C1Br B42893 [1,0,0,0,0,0|3,0,0]=4 362 B9R1.69 CC1=CC(O)=CN=C1Cl C15197 [1,0,0,0,0,0|3,0,0]=4 363 B9R1.69 CC1=CC(O)=CN=C1F F62152 [1,0,0,0,0,0|3,0,0]=4 364 B9R1.69 CC1=CC([Mg+])=C(C)C=C1 D31736 [1,0,0,0,0,0|3,0,0]=4 365 B9R1.69 CC1=CC=C(Br)C(Br)=N1 D42515 [1,0,0,0,0,0|3,0,0]=4 366 B9R1.69 CC1=CC=C(C)C(N)=N1 D43611 [1,0,0,0,0,0|2,0,0]=3 367 B9R1.69 CC1=CC=C(Cl)C(Cl)=N1 D42559 [1,0,0,0,0,0|3,0,0]=4 368 B9R1.69 CC1=CC=C(Cl)N=C1Cl D24399 [1,0,0,0,0,0|3,0,0]=4 369 B9R1.69 CC1=CC=C(F)C(Br)=N1 B23352 [1,0,0,0,0,0|3,0,0]=4 370 B9R1.69 CC1=CC=C(F)C(Cl)=N1 C42573 [1,0,0,0,0,0|3,0,0]=4 371 B9R1.69 CC1=CC=C(F)N=C1Br B17536 [1,0,0,0,0,0|3,0,0]=4 372 B9R1.69 CC1=CC=C(N)C(Br)=N1 B37081 [1,0,0,0,0,0|3,0,0]=4 373 B9R1.69 CC1=CC=C(N)C(C)=N1 D43608 [1,0,0,0,0,0|2,0,0]=3 374 B9R1.69 CC1=CC=C(N)C(Cl)=N1 A42987 [1,0,0,0,0,0|3,0,0]=4 375 B9R1.69 CC1=CC=C(N)C(I)=N1 K43022 [1,0,0,0,0,0|3,0,0]=4 376 B9R1.69 CC1=CC=C(N)N=C1Br B26269 [1,0,0,0,0,0|3,0,0]=4 377 B9R1.69 CC1=CC=C(N)N=C1Cl C23697 [1,0,0,0,0,0|3,0,0]=4 378 B9R1.69 CC1=CC=C(N)N=C1N M43333 [1,0,0,0,0,0|3,0,0]=4 379 B9R1.69 CC1=CC=C(O)C(Br)=N1 B1020 [1,0,0,0,0,0|3,0,0]=4 380 B9R1.69 CC1=CC=C(O)C(F)=N1 F42928 [1,0,0,0,0,0|3,0,0]=4 381 B9R1.69 CC1=CC=C(O)C(I)=N1 H37772 [1,0,0,0,0,0|3,0,0]=4 382 B9R1.69 CC1=CN=C(Br)C(Br)=C1 D42517 [1,0,0,0,0,0|3,0,0]=4 383 B9R1.69 CC1=CN=C(Br)C(C)=C1 B46080 [1,0,0,0,0,0|2,0,0]=3 384 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 B42530 [1,0,0,0,0,0|3,0,0]=4 385 B9R1.69 CC1=CN=C(Br)C(F)=C1 B13540 [1,0,0,0,0,0|3,0,0]=4 386 B9R1.69 CC1=CN=C(Br)C(N)=C1 A42977 [1,0,0,0,0,0|3,0,0]=4 387 B9R1.69 CC1=CN=C(C)C(C)=C1 T39433 [1,0,0,0,0,0|1,0,0]=2 388 B9R1.69 CC1=CN=C(C)C(Cl)=N1 C42989 [1,0,0,0,0,0|1,0,0]=2 389 B9R1.69 CC1=CN=C(C)C(I)=N1 K43021 [1,0,0,0,0,0|1,0,0]=2 390 B9R1.69 CC1=CN=C(C)C(N)=N1 D32397 [1,0,0,0,0,0|1,0,0]=2 391 B9R1.69 CC1=CN=C(C)N=C1N D43337 [1,0,0,0,0,0|3,0,0]=4 392 B9R1.69 CC1=CN=C(Cl)C(C)=N1 C42988 [1,0,0,0,0,0|1,0,0]=2 393 B9R1.69 CC1=CN=C(Cl)C(Cl)=C1 D42558 [1,0,0,0,0,0|3,0,0]=4 394 B9R1.69 CC1=CN=C(Cl)C(Cl)=N1 D40725 [1,0,0,0,0,0|2,0,0]=3 395 B9R1.69 CC1=CN=C(Cl)C(F)=C1 C42572 [1,0,0,0,0,0|3,0,0]=4 396 B9R1.69 CC1=CN=C(Cl)C(N)=C1 C42993 [1,0,0,0,0,0|3,0,0]=4 397 B9R1.69 CC1=CN=C(Cl)C(N)=N1 C39122 [1,0,0,0,0,0|2,0,0]=3 398 B9R1.69 CC1=CN=C(Cl)C(O)=C1 C42904 [1,0,0,0,0,0|3,0,0]=4 399 B9R1.69 CC1=CN=C(I)C(C)=N1 K63360 [1,0,0,0,0,0|1,0,0]=2 400 B9R1.69 CC1=CN=C(N)C(=O)N1 A41143 [1,0,0,0,0,0|2,0,1]=4 401 B9R1.69 CC1=CN=C(N)C(Br)=N1 B41061 [1,0,0,0,0,0|2,0,0]=3 402 B9R1.69 CC1=CN=C(N)C(C)=C1 D43610 [1,0,0,0,0,0|2,0,0]=3 403 B9R1.69 CC1=CN=C(N)C(Cl)=N1 C41076 [1,0,0,0,0,0|2,0,0]=3 404 B9R1.69 CC1=CN=C(N)C(N)=C1 D43331 [1,0,0,0,0,0|3,0,0]=4 405 B9R1.69 CC1=CNC(=O)C(C)=N1 D69506 [1,0,0,0,0,0|1,0,1]=3 406 B9R1.69 CC1=CNC(=O)C(Cl)=N1 C40933 [1,0,0,0,0,0|2,0,1]=4 407 B9R1.69 CC1=NC(C)=C(Br)C=C1 B46082 [1,0,0,0,0,0|2,0,0]=3 408 B9R1.69 CC1=NC(C)=C(Br)C=N1 B42971 [1,0,0,0,0,0|3,0,0]=4 409 B9R1.69 CC1=NC(C)=C(N)C=N1 D43336 [1,0,0,0,0,0|3,0,0]=4 410 B9R1.69 CC1=NC(C)=C(O)C=C1 D67987 [1,0,0,0,0,0|2,0,0]=3 411 B9R1.69 CC1=NC(C)=C(O)C=N1 D43192 [1,0,0,0,0,0|3,0,0]=4 412 B9R1.69 CC1=NC(Cl)=C(Br)C=C1 B42526 [1,0,0,0,0,0|3,0,0]=4 413 B9R1.69 CC1=NC(F)=C(Br)C=C1 B42546 [1,0,0,0,0,0|3,0,0]=4 414 B9R1.69 CC1=NC(F)=C(I)C=C1 F42594 [1,0,0,0,0,0|3,0,0]=4 415 B9R1.69 CC1=NC(N)=C(Br)C=C1 B18303 [1,0,0,0,0,0|3,0,0]=4 416 B9R1.69 CC1=NC(N)=C(I)C=C1 K61473 [1,0,0,0,0,0|3,0,0]=4 417 B9R1.69 CC1=NC(N)=C(O)C=C1 A43201 [1,0,0,0,0,0|3,0,0]=4 418 B9R1.69 CC1=NC(N)=CN=C1Br B41062 [1,0,0,0,0,0|2,0,0]=3 419 B9R1.69 CC1=NC(N)=CN=C1Cl C23741 [1,0,0,0,0,0|2,0,0]=3 420 B9R1.69 CC1=NC(O)=C(Br)C=C1 B42882 [1,0,0,0,0,0|3,0,0]=4 421 B9R1.69 CC1=NC=C(Br)C=C1Cl B8062 [1,0,0,0,0,0|3,0,0]=4 422 B9R1.69 CC1=NC=C(Br)C=C1F B16887 [1,0,0,0,0,0|3,0,0]=4 423 B9R1.69 CC1=NC=C(Br)C=C1N A0082 [1,0,0,0,0,0|3,0,0]=4 424 B9R1.69 CC1=NC=C(Br)C=C1O B42885 [1,0,0,0,0,0|3,0,0]=4 425 B9R1.69 CC1=NC=C(Cl)C=C1N A1755 [1,0,0,0,0,0|3,0,0]=4 426 B9R1.69 CC1=NC=C(N)N=C1Br B41063 [1,0,0,0,0,0|2,0,0]=3 427 B9R1.69 ClC1=CN=C(Br)C(Cl)=N1 B40275 [1,0,0,0,0,0|3,0,0]=4 428 B9R1.69 ClC1=CN=C(Cl)C(Cl)=N1 T40281 [1,0,0,0,0,0|3,0,0]=4 429 B9R1.69 ClC1=CN=C(I)C(Cl)=N1 D32285 [1,0,0,0,0,0|3,0,0]=4 430 B9R1.69 ClC1=NC(Br)=CN=C1Br D63358 [1,0,0,0,0,0|3,0,0]=4 431 B9R1.69 ClC1=NC=C(Br)N=C1Br D9770 [1,0,0,0,0,0|3,0,0]=4 432 B9R1.69 NC1=C(Cl)N=C(Br)C=N1 A0343 [1,0,0,0,0,0|3,0,0]=4 433 B9R1.69 NC1=C(Cl)N=C(I)C=N1 A11542 [1,0,0,0,0,0|3,0,0]=4 434 B9R1.69 NC1=C(Cl)N=CC(Br)=N1 B9774 [1,0,0,0,0,0|3,0,0]=4 435 B9R1.69 NC1=C(N)N=C(Br)C=N1 B9793 [1,0,0,0,0,0|3,0,0]=4 436 B9R1.69 NC1=C(N)N=C(Cl)C=N1 C40148 [1,0,0,0,0,0|3,0,0]=4 437 B9R1.69 NC1=CN=C(Br)C(Br)=N1 D40046 [1,0,0,0,0,0|3,0,0]=4 438 B9R1.69 NC1=CN=C(Br)C(Cl)=N1 A11540 [1,0,0,0,0,0|3,0,0]=4 439 B9R1.69 NC1=CN=C(Cl)C(Br)=N1 B32312 [1,0,0,0,0,0|3,0,0]=4 440 B9R1.69 NC1=CN=C(I)C(Cl)=N1 C61833 [1,0,0,0,0,0|3,0,0]=4 441 B9R1.69 NC1=NC(Br)=CN=C1Br D0685 [1,0,0,0,0,0|3,0,0]=4 442 B9R1.69 NC1=NC(Cl)=CN=C1Br A11539 [1,0,0,0,0,0|3,0,0]=4 443 B9R1.69 NC1=NC(Cl)=CN=C1Cl D40048 [1,0,0,0,0,0|3,0,0]=4 444 B9R1.69 NC1=NC=C(Br)N=C1Br A9691 [1,0,0,0,0,0|3,0,0]=4 445 B9R1.69 NC1=NC=C(Br)N=C1I B37564 [1,0,0,0,0,0|3,0,0]=4 446 B9R1.69 NC1=NC=C(Cl)N=C1Br B25290 [1,0,0,0,0,0|3,0,0]=4 447 B9R1.69 NC1=NC=C(Cl)N=C1Cl A38575 [1,0,0,0,0,0|3,0,0]=4 448 B9R1.69 OC1=NC=C(Br)N=C1Br D39990 [1,0,0,0,0,0|3,0,0]=4 449 B11R1.37 CC1=CN=C(C#N)C(C#N)=N1 M44407 [0,1,0,0,0,0|1,0,2]=4 450 B11R1.37 CCC1=NC=C(C)N=C1CC D50396 [0,1,0,0,0,0|0,0,0]=1 451 B11R1.37 COC1=C(CBr)C=CC(Br)=N1 B45872 [0,1,0,0,0,0|3,0,0]=4 452 B11R1.37 COC1=C(CN)C=CC(Br)=N1 B46323 [0,1,0,0,0,0|3,0,0]=4 453 B11R1.37 COC1=C(CN)C=CC(Br)=N1 B46325 [0,1,0,0,0,0|3,0,0]=4 454 B11R1.37 COC1=C(CO)C=CC(Br)=N1 B46129 [0,1,0,0,0,0|3,0,0]=4 455 B11R1.37 COC1=C(OC)N=C(Br)C=N1 B43030 [0,1,0,0,0,0|2,0,0]=3 456 B11R1.37 COC1=C(OC)N=C(I)C=C1 K62513 [0,1,0,0,0,0|3,0,0]=4 457 B11R1.37 COC1=CC(Br)=CN=C1OC B46127 [0,1,0,0,0,0|3,0,0]=4 458 B11R1.37 COC1=CC(C)=CN=C1OC D46918 [0,1,0,0,0,0|2,0,0]=3 459 B11R1.37 COC1=CC=C(N)N=C1OC D43649 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.37 COC1=NC(N)=CN=C1C#N A63896 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.37 COC1=NC=C(Br)C=C1CN A10481 [0,1,0,0,0,0|3,0,0]=4 462 B11R1.37 COC1=NC=C(Br)C=C1CO B12770 [0,1,0,0,0,0|3,0,0]=4 463 B11R1.37 COC1=NC=C(F)C=C1CO F32261 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.81 CCOC1=C(Br)C=C(C)C=N1 B64110 [0,1,0,0,0,0|2,0,0]=3 465 B11R1.81 CCOC1=C(C)N=C(N)C=C1 E46978 [0,1,0,0,0,0|2,0,0]=3 466 B11R1.81 CCOC1=C(F)C=C(N)C=N1 E46335 [0,1,0,0,0,0|3,0,0]=4 467 B11R1.81 CCOC1=C(N)C=C(C)C=C1 E50337 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.81 CCOC1=NC=C(Br)C=C1N B46321 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 D68875 [0,1,0,0,0,0|2,0,1]=4 470 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C B37444 [0,1,0,0,0,0|2,0,1]=4 471 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 D54187 [0,1,0,0,0,0|2,0,0]=3 472 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 D46013 [0,1,0,0,0,0|1,0,1]=3 473 B11R1.166 CC1=NC(C)=C(B(O)O)C=C1 D43702 [0,1,0,0,0,0|3,0,0]=4 474 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 D61273 [0,1,0,0,0,0|2,0,1]=4 475 B11R1.166 CC1=NC(C)=C([N+](=O)[O-])C=C1 D45999 [0,1,0,0,0,0|3,0,0]=4 476 B11R1.166 C[C@H](O)C1=CC=C(Cl)N=C1Cl D63331 [0,1,0,0,0,0|3,0,0]=4 477 B11R1.277 CC1=NC(C)=C(C)N=C1CO T28640 [0,1,0,0,0,0|1,0,0]=2 478 B11R1.277 CCC1=NC(C)=C(C)N=C1C E50397 [0,1,0,0,0,0|0,0,0]=1 479 B11R1.277 COC1=CC(Br)=C(C)N=C1N B46322 [0,1,0,0,0,0|3,0,0]=4 480 B11R1.278 CC1=CN=C(CO)C(C)=C1Cl C46805 [0,1,0,0,0,0|2,0,0]=3 481 B11R1.278 COC1=NC=C(C)C(Br)=C1C B37690 [0,1,0,0,0,0|2,0,0]=3 482 B11R1.279 COC1=CC(C)=C(OC)C=C1 D50280 [0,1,0,0,0,0|3,0,0]=4 483 B11R1.279 COC1=CC=C(CO)C(Cl)=N1 C46142 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.279 CSC1=NC(C)=C(CO)C=N1 M43686 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.464 CC1=CC(C)=C(CBr)C(C)=C1 B32045 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.464 CC1=CC(C)=C(CN)C(C)=C1 M53111 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.464 CC1=CC(C)=C(CO)C(C)=C1 M53082 [0,1,0,0,0,0|3,0,0]=4 488 B11R1.464 COC1=C(C)N=C(Cl)C=C1Cl D15350 [0,1,0,0,0,0|3,0,0]=4 489 B11R2.36 BrC1=CN=C2CNCC2=C1 B11679 [0,0,0,1,0,0|3,0,0]=4 490 B11R2.36 BrC1=CN=C2CNCC2=C1 B11680 [0,0,0,1,0,0|3,0,0]=4 491 B11R2.36 BrC1=CN=C2NCCC2=C1 B12242 [0,0,0,1,0,0|3,0,0]=4 492 B11R2.36 BrC1=CN=C2NCCC2=C1 B30154 [0,0,0,1,0,0|3,0,0]=4 493 B11R2.36 BrC1=NC2=C(C=C1)NCC2 B45617 [0,0,0,1,0,0|3,0,0]=4 494 B11R2.36 CC1=CC2=C(C=C1)NCC2 M49974 [0,0,0,1,0,0|3,0,0]=4 495 B11R2.36 CC1=NC2=C(C=N1)CSC2 M46059 [0,0,0,1,0,0|3,0,0]=4 496 B11R2.36 ClC1=CN=C2NCCC2=C1 C45621 [0,0,0,1,0,0|3,0,0]=4 497 B11R2.36 ClC1=NC2=C(C=C1)CCC2 C48882 [0,0,0,1,0,0|2,0,0]=3 498 B11R2.36 ClC1=NC2=C(C=C1)CNC2 C25491 [0,0,0,1,0,0|3,0,0]=4 499 B11R2.36 ClC1=NC2=C(C=N1)CCC2 C37147 [0,0,0,1,0,0|3,0,0]=4 500 B11R2.36 FC1=CC2=C(C=C1)CCC2 F51669 [0,0,0,1,0,0|3,0,0]=4 501 B11R2.36 FC1=CN=C2CNCC2=C1 F18831 [0,0,0,1,0,0|3,0,0]=4 502 B11R2.36 IC1=CC2=C(C=C1)CCC2 K64448 [0,0,0,1,0,0|3,0,0]=4 503 B9R1.22 CC1=NC(Br)=C(CBr)S1 B40988 [0,0,0,0,1,0|3,0,0]=4 504 B9R1.22 CC1=NC(C)=C(C=O)N1 D39065 [0,0,0,0,1,0|1,0,2]=4 505 B9R1.22 CC1=NC(C)=C(CO)S1 D43393 [0,0,0,0,1,0|2,0,0]=3 506 B9R1.22 CC1=NN(C)C(C=O)=C1 D3606 [0,0,0,0,1,0|2,0,1]=4 507 B9R1.22 CC1=NN(C)C(CCl)=C1 C1040 [0,0,0,0,1,0|2,0,0]=3 508 B9R1.22 CC1=NN(C)C(CO)=C1 D3957 [0,0,0,0,1,0|2,0,0]=3 509 B9R1.22 CC1=NN(C)C=C1C=O D9711 [0,0,0,0,1,0|2,0,1]=4 510 B9R1.22 CC1=NN(C)C=C1CN D23506 [0,0,0,0,1,0|2,0,0]=3 511 B9R1.132 CC1=CC=C(CN)N1C A13529 [0,0,0,0,1,0|3,0,0]=4 512 B9R1.132 CC1=CNC(C#N)=C1C D15553 [0,0,0,0,1,0|1,0,2]=4 513 B9R1.132 CC1=CNC(C=O)=C1C D12049 [0,0,0,0,1,0|1,0,2]=4 514 B9R1.132 CC[N+]1=C(C)N(C)C=C1 E46613 [0,0,0,0,1,0|3,0,0]=4 515 B9R1.132 CC[N+]1=C(C)N(C)C=C1 E46616 [0,0,0,0,1,0|3,0,0]=4 516 B9R1.132 CC[N+]1=C(C)N(C)C=C1 E46619 [0,0,0,0,1,0|3,0,0]=4 517 B9R1.132 CN1C(Cl)=CN=C1CO C41136 [0,0,0,0,1,0|3,0,0]=4 518 B8R1.2 BrCC1=CN=CC=C1 B23879 [2,0,0,0,0,0|2,0,0]=4 519 B8R1.2 BrCC1=NC=CC=C1 B42841 [2,0,0,0,0,0|2,0,0]=4 520 B8R1.2 BrCC1=NC=CN=C1 B36766 [2,0,0,0,0,0|1,0,0]=3 521 B8R1.2 C#CC1=NC=CN=C1 E14588 [2,0,0,0,0,0|0,0,2]=4 522 B8R1.2 CCC1=NC=CN=C1 E43180 [2,0,0,0,0,0|0,0,0]=2 523 B8R1.2 CNC1=CC=CN=C1 M38086 [2,0,0,0,0,0|2,0,0]=4 524 B8R1.2 CNC1=NC=CN=C1 M41140 [2,0,0,0,0,0|1,0,0]=3 525 B8R1.2 COC1=CN=CC=C1 M67978 [2,0,0,0,0,0|2,0,0]=4 526 B8R1.2 COC1=NC=CC=C1 M39277 [2,0,0,0,0,0|2,0,0]=4 527 B8R1.2 COC1=NC=CN=C1 M2768 [2,0,0,0,0,0|1,0,0]=3 528 B8R1.2 CSC1=NN=CC=N1 M5642 [2,0,0,0,0,0|2,0,0]=4 529 B8R1.2 ClCC1=NC=CC=C1 C67870 [2,0,0,0,0,0|2,0,0]=4 530 B8R1.2 ClCC1=NC=CN=C1 C0149 [2,0,0,0,0,0|1,0,0]=3 531 B8R1.2 N#CC1=NC=CN=C1 C68117 [2,0,0,0,0,0|1,0,1]=4 532 B8R1.2 NCC1=CC=CN=C1 A69257 [2,0,0,0,0,0|2,0,0]=4 533 B8R1.2 NCC1=NC=CN=C1 P0029 [2,0,0,0,0,0|1,0,0]=3 534 B8R1.2 NCC1=NC=CN=C1 P4303 [2,0,0,0,0,0|1,0,0]=3 535 B8R1.2 NNC1=NC=CN=C1 H0220 [2,0,0,0,0,0|2,0,0]=4 536 B8R1.2 O=CC1=NC=CN=C1 P0148 [2,0,0,0,0,0|1,0,1]=4 537 B8R1.2 OCC1=CN=CC=C1 P15946 [2,0,0,0,0,0|2,0,0]=4 538 B8R1.2 OCC1=NC=CC=C1 P69303 [2,0,0,0,0,0|2,0,0]=4 539 B8R1.2 OCC1=NC=CN=C1 P0147 [2,0,0,0,0,0|1,0,0]=3 540 B8R1.3 BrC1=CN=C(Br)C=N1 D3577 [2,0,0,0,0,0|2,0,0]=4 541 B8R1.3 BrC1=CN=C(I)C=N1 B3582 [2,0,0,0,0,0|2,0,0]=4 542 B8R1.3 CC1=CC=C(C)N=N1 D43182 [2,0,0,0,0,0|2,0,0]=4 543 B8R1.3 CC1=CN=C(Br)C=C1 B4672 [2,0,0,0,0,0|2,0,0]=4 544 B8R1.3 CC1=CN=C(Br)C=N1 B14614 [2,0,0,0,0,0|1,0,0]=3 545 B8R1.3 CC1=CN=C(Cl)C=C1 C21968 [2,0,0,0,0,0|2,0,0]=4 546 B8R1.3 CC1=CN=C(Cl)C=N1 C40876 [2,0,0,0,0,0|1,0,0]=3 547 B8R1.3 CC1=CN=C(F)C=C1 F22553 [2,0,0,0,0,0|2,0,0]=4 548 B8R1.3 CC1=CN=C(N)C=C1 M20542 [2,0,0,0,0,0|2,0,0]=4 549 B8R1.3 CC1=CN=C(N)C=N1 M14592 [2,0,0,0,0,0|1,0,0]=3 550 B8R1.3 CC1=CN=C(O)C=C1 M63706 [2,0,0,0,0,0|2,0,0]=4 551 B8R1.3 CC1=CNC(=O)C=N1 M68091 [2,0,0,0,0,0|1,0,1]=4 552 B8R1.3 CC1=NC=C(Br)C=C1 B5402 [2,0,0,0,0,0|2,0,0]=4 553 B8R1.3 CC1=NC=C(Cl)C=C1 C42845 [2,0,0,0,0,0|2,0,0]=4 554 B8R1.3 CC1=NC=C(F)C=C1 F1117 [2,0,0,0,0,0|2,0,0]=4 555 B8R1.3 CC1=NC=C(I)C=C1 I36966 [2,0,0,0,0,0|2,0,0]=4 556 B8R1.3 CC1=NC=C(N)C=C1 A1121 [2,0,0,0,0,0|2,0,0]=4 557 B8R1.3 CC1=NC=C(O)C=C1 H4553 [2,0,0,0,0,0|2,0,0]=4 558 B8R1.3 ClC1=CN=C(Br)C=N1 B3581 [2,0,0,0,0,0|2,0,0]=4 559 B8R1.3 ClC1=CN=C(Cl)C=N1 D3587 [2,0,0,0,0,0|2,0,0]=4 560 B8R1.3 ClC1=CN=C(I)C=N1 C39982 [2,0,0,0,0,0|2,0,0]=4 561 B8R1.3 FC1=CN=C(Br)C=N1 B39978 [2,0,0,0,0,0|2,0,0]=4 562 B8R1.3 NC1=CN=C(Br)C=N1 A2854 [2,0,0,0,0,0|2,0,0]=4 563 B8R1.3 NC1=CN=C(Cl)C=N1 A0684 [2,0,0,0,0,0|2,0,0]=4 564 B8R1.3 NC1=CN=C(I)C=N1 A40087 [2,0,0,0,0,0|2,0,0]=4 565 B8R1.3 NC1=CN=C(N)C=N1 P40199 [2,0,0,0,0,0|2,0,0]=4 566 B8R1.3 NC1=CN=C(N)C=N1 P40324 [2,0,0,0,0,0|2,0,0]=4 567 B8R1.3 OC1=CN=C(Br)C=N1 B14598 [2,0,0,0,0,0|2,0,0]=4 568 B8R1.3 OC1=CN=C(Cl)C=N1 C38694 [2,0,0,0,0,0|2,0,0]=4 569 B8R1.5 BrC1=NC=CN=C1Br D39975 [2,0,0,0,0,0|2,0,0]=4 570 B8R1.5 CC1=C(Br)C=CC=N1 B10407 [2,0,0,0,0,0|2,0,0]=4 571 B8R1.5 CC1=C(Cl)C=CC=N1 C42843 [2,0,0,0,0,0|2,0,0]=4 572 B8R1.5 CC1=C(F)C=CC=N1 F69193 [2,0,0,0,0,0|2,0,0]=4 573 B8R1.5 CC1=C(O)C=CC=N1 H10468 [2,0,0,0,0,0|2,0,0]=4 574 B8R1.5 CC1=CC=CN=C1Br B13771 [2,0,0,0,0,0|2,0,0]=4 575 B8R1.5 CC1=CC=CN=C1C L68373 [2,0,0,0,0,0|1,0,0]=3 576 B8R1.5 CC1=CC=CN=C1Cl C21969 [2,0,0,0,0,0|2,0,0]=4 577 B8R1.5 CC1=CC=CN=C1F F42847 [2,0,0,0,0,0|2,0,0]=4 578 B8R1.5 CC1=CC=CN=C1N M20541 [2,0,0,0,0,0|2,0,0]=4 579 B8R1.5 CC1=NC=CN=C1Br B14599 [2,0,0,0,0,0|1,0,0]=3 580 B8R1.5 CC1=NC=CN=C1Cl C14608 [2,0,0,0,0,0|1,0,0]=3 581 B8R1.5 CC1=NC=CN=C1I I14601 [2,0,0,0,0,0|1,0,0]=3 582 B8R1.5 CC1=NC=CN=C1N A14593 [2,0,0,0,0,0|1,0,0]=3 583 B8R1.5 CC1=NC=CN=C1O H14600 [2,0,0,0,0,0|1,0,0]=3 584 B8R1.5 ClC1=NC=CN=C1Br B37498 [2,0,0,0,0,0|2,0,0]=4 585 B8R1.5 ClC1=NC=CN=C1Cl D7674 [2,0,0,0,0,0|2,0,0]=4 586 B8R1.5 ClC1=NC=CN=C1I C39981 [2,0,0,0,0,0|2,0,0]=4 587 B8R1.5 FC1=NC=CN=C1I F6274 [2,0,0,0,0,0|2,0,0]=4 588 B8R1.5 NC1=NC=CN=C1Br A38037 [2,0,0,0,0,0|2,0,0]=4 589 B8R1.5 NC1=NC=CN=C1Cl A5117 [2,0,0,0,0,0|2,0,0]=4 590 B8R1.5 NC1=NC=CN=C1N D14607 [2,0,0,0,0,0|2,0,0]=4 591 B8R1.5 OC1=NC=CN=C1Br B40038 [2,0,0,0,0,0|2,0,0]=4 592 B8R1.5 OC1=NC=CN=C1O P40073 [2,0,0,0,0,0|2,0,0]=4 593 B8R1.4 BrC1=CN=CC(Br)=N1 D39976 [2,0,0,0,0,0|2,0,0]=4 594 B8R1.4 CC1=CC(Br)=CN=C1 B10806 [2,0,0,0,0,0|2,0,0]=4 595 B8R1.4 CC1=CC(Cl)=CN=C1 C22076 [2,0,0,0,0,0|2,0,0]=4 596 B8R1.4 CC1=CC(F)=CN=C1 F42848 [2,0,0,0,0,0|2,0,0]=4 597 B8R1.4 CC1=CC(O)=CN=C1 H23648 [2,0,0,0,0,0|2,0,0]=4 598 B8R1.4 CC1=CC=CC(Br)=N1 B39267 [2,0,0,0,0,0|2,0,0]=4 599 B8R1.4 CC1=CC=CC(Cl)=N1 C4547 [2,0,0,0,0,0|2,0,0]=4 600 B8R1.4 CC1=CC=CC(F)=N1 F39268 [2,0,0,0,0,0|2,0,0]=4 601 B8R1.4 CC1=CC=CC(I)=N1 K42850 [2,0,0,0,0,0|2,0,0]=4 602 B8R1.4 CC1=CC=CC(N)=N1 A13755 [2,0,0,0,0,0|2,0,0]=4 603 B8R1.4 CC1=CC=CC(S)=N1 M38177 [2,0,0,0,0,0|2,0,0]=4 604 B8R1.4 CC1=CC=NC(C)=N1 D43181 [2,0,0,0,0,0|2,0,0]=4 605 B8R1.4 CC1=CN=CC(Br)=N1 B38752 [2,0,0,0,0,0|1,0,0]=3 606 B8R1.4 CC1=CN=CC(C)=N1 D69480 [2,0,0,0,0,0|0,0,0]=2 607 B8R1.4 CC1=CN=CC(Cl)=N1 C37906 [2,0,0,0,0,0|1,0,0]=3 608 B8R1.4 CC1=CN=CC(N)=C1 A4718 [2,0,0,0,0,0|2,0,0]=4 609 B8R1.4 CC1=CN=CC(N)=N1 M41139 [2,0,0,0,0,0|1,0,0]=3 610 B8R1.4 CC1=CN=CC(O)=N1 M67557 [2,0,0,0,0,0|1,0,0]=3 611 B8R1.4 ClC1=CN=CC(Cl)=N1 D2303 [2,0,0,0,0,0|2,0,0]=4 612 B8R1.4 IC1=CN=CC(I)=N1 D2671 [2,0,0,0,0,0|2,0,0]=4 613 B8R1.4 NC1=CN=CC(Br)=N1 B24169 [2,0,0,0,0,0|2,0,0]=4 614 B8R1.4 NC1=CN=CC(Cl)=N1 A2337 [2,0,0,0,0,0|2,0,0]=4 615 B8R1.4 NC1=CN=CC(N)=N1 P40325 [2,0,0,0,0,0|2,0,0]=4 616 B8R1.4 OC1=CN=CC(Cl)=N1 C40042 [2,0,0,0,0,0|2,0,0]=4 617 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.1 CC1=CN=C(CC#N)C=C1 M48792 [1,1,0,0,0,0|1,0,1]=4 621 B10R1.1 CC1=NC=C(CCO)C=C1 M15913 [1,1,0,0,0,0|1,0,0]=3 622 B10R1.1 CCOC1=CN=C(Br)C=C1 B46151 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.1 CCOC1=CN=C(Cl)C=C1 C46184 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.1 CCOC1=CN=C(N)C=C1 E43625 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.1 CCOC1=NC=C(Br)C=C1 B4568 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.1 CCOC1=NC=C(I)C=C1 E46226 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.1 CCOC1=NC=C(N)N=C1 E9737 [1,1,0,0,0,0|1,0,0]=3 628 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.1 NCCC1=NC=C(Br)C=C1 A1731 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.1 OCCC1=CN=C(Cl)C=C1 C37718 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.1 OCCC1=NC=C(Br)C=C1 B7705 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.3 CCC1=CC=C(OC)C=C1 E50270 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.3 CCC1=CN=C(C=O)C=C1 E49257 [1,1,0,0,0,0|1,0,1]=4 635 B10R1.3 COC1=CN=C(CCl)C=C1 C15224 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.3 COC1=CN=C(CO)C=C1 H15223 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.3 COC1=CN=C(OC)C=C1 D46391 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.3 COC1=NC=C(CBr)C=C1 B37014 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.3 COC1=NC=C(CCl)C=C1 C46199 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.3 COC1=NC=C(CN)C=C1 A10463 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.3 COC1=NC=C(CN)C=C1 M29962 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.3 COC1=NC=C(CN)C=C1 M46593 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.3 COC1=NC=C(CO)C=C1 M0584 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.3 COC1=NC=C(CO)N=C1 M61572 [1,1,0,0,0,0|1,0,0]=3 645 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [1,1,0,0,0,0|1,0,1]=4 646 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [1,1,0,0,0,0|1,0,1]=4 647 B10R1.13 CC(=O)C1=NC=C(O)N=C1 H42776 [1,1,0,0,0,0|1,0,1]=4 648 B10R1.13 CC(C)C1=CN=C(Br)C=C1 B46728 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.13 CC(C)C1=CN=C(N)C=C1 P24474 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.13 CC(C)C1=NC=C(Br)C=C1 B32058 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.13 CC(C)C1=NC=C(N)C=C1 A12160 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.13 CC1=CC=C(C(C)C)C=C1 D60786 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T52161 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T60511 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.13 CC1=CN=C(C(=O)O)C=N1 M4677 [1,1,0,0,0,0|1,0,1]=4 657 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 M49667 [1,1,0,0,0,0|1,0,0]=3 658 B10R1.13 CC1=NC=C([C@H](C)O)C=C1 H64312 [1,1,0,0,0,0|1,0,0]=3 659 B10R1.13 CN(C)C1=CN=C(Br)C=N1 B43265 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.13 C[C@@H](N)C1=CN=C(Br)C=C1 B63698 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 F46566 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46292 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46296 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F0635 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F46612 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.176 CC1=C(F)C=C(CO)C=N1 F46223 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.176 CCC1=CC(C)=C(C)C=C1 E53022 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.176 CCC1=NC(C)=C(C)N=C1 E46963 [1,1,0,0,0,0|0,0,0]=2 669 B10R1.176 CCC1=NC(Cl)=C(Br)C=C1 B45765 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.176 COC1=CC(Br)=C(C)C=N1 B37321 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.176 COC1=CC(Br)=C(C)N=C1 B13456 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.176 COC1=CN=C(Br)C(C)=N1 B43057 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.176 COC1=CN=C(Cl)C(N)=N1 C18840 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.176 COC1=NC(C)=C(N)N=C1 M43352 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.176 COC1=NC=C(C)C(N)=C1 M43637 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.176 CSC1=CN=C(Cl)C(Cl)=N1 P11188 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.2 COC1=NC=CC(Br)=C1C B46170 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.4 CCNC1=NC=CN=C1N E63353 [1,1,0,0,0,0|1,0,0]=3 680 B10R1.4 CCOC1=C(I)C=CC=N1 E46225 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.4 CCOC1=NC=CN=C1Br B43051 [1,1,0,0,0,0|1,0,0]=3 682 B10R1.4 CCOC1=NC=CN=C1N A36915 [1,1,0,0,0,0|1,0,0]=3 683 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.4 CNCC1=C(F)C=CC=N1 F14667 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.4 N#CCC1=NC=CN=C1Cl C11546 [1,1,0,0,0,0|1,0,1]=4 686 B10R1.4 NCCC1=C(Br)C=CC=N1 B14102 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.20 CCC1=C(CO)C=CC=C1 E50269 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.20 CCC1=NC=CN=C1OC E43629 [1,1,0,0,0,0|0,0,0]=2 689 B10R1.20 CNC1=C(CO)C=CC=N1 M43647 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.20 COC1=C(CBr)C=CC=N1 B26711 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.20 COC1=C(CBr)C=CC=N1 B46181 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.20 COC1=C(CN)N=CC=C1 M46464 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.20 COC1=C(CO)N=CC=C1 M46400 [1,1,0,0,0,0|2,0,0]=4 694 B10R1.20 COC1=CC=CN=C1OC D1095 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.20 COC1=NC=CC=C1CN A12723 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.20 COC1=NC=CC=C1CN A7689 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.20 COC1=NC=CC=C1CO M12722 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.20 COC1=NC=CN=C1CN M43353 [1,1,0,0,0,0|1,0,0]=3 699 B10R1.20 COC1=NC=CN=C1NN H41209 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.20 ClCC1=CC=CN=C1CCl B62022 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.20 ClCC1=NC=CN=C1CCl B42742 [1,1,0,0,0,0|1,0,0]=3 702 B10R1.20 NCC1=C(CO)C=CC=N1 A46594 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.30 CC1=CN=C(C)C(C#N)=N1 D45730 [1,1,0,0,0,0|1,0,1]=4 704 B10R1.30 COC1=C(Cl)N=CC(Br)=N1 B9928 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.30 COC1=C(N)N=CC(Br)=N1 B9924 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.30 COC1=C(N)N=CC(Cl)=N1 C63041 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.30 COC1=CC(Br)=CN=C1C B16799 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.30 COC1=NC(Br)=CN=C1Br D9925 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.30 COC1=NC(Br)=CN=C1I B9892 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.30 COC1=NC(C)=CN=C1N M26266 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.30 COC1=NC(N)=CN=C1Br B41091 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.30 NC1=C(CO)N=C(Br)C=N1 A37107 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.61 CC(=O)C1=C(C)N=CC=C1 M21788 [1,1,0,0,0,0|1,0,1]=4 714 B10R1.61 CC(=O)C1=NC=CN=C1C M45981 [1,1,0,0,0,0|0,0,1]=3 715 B10R1.61 CC(=O)C1=NC=CN=C1Cl A11547 [1,1,0,0,0,0|1,0,1]=4 716 B10R1.61 CC(=O)C1=NC=CN=C1N A14612 [1,1,0,0,0,0|1,0,1]=4 717 B10R1.61 CC(C)C1=CC=CN=C1Br B32081 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.61 CC(C)C1=CC=CN=C1Cl C36678 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.61 CC(C)C1=NC=CC=C1N P46959 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 T52160 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 T52162 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.61 CC1=NC=CN=C1C(=O)O M7738 [1,1,0,0,0,0|1,0,1]=4 723 B10R1.61 CN(C)C1=NC=CN=C1Cl C43272 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.61 CN(C)C1=NC=CN=C1N A41445 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.61 C[C@H](O)C1=C(Br)C=CC=N1 B37274 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 A65242 [1,1,0,0,0,0|2,0,0]=4 727 B10R1.61 C[C@H](O)C1=CC=CN=C1Cl C46191 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.245 COC1=C(Cl)C=CN=C1C C11879 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.22 CC1=C(C)C(Cl)=CC(Cl)=N1 D45797 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.22 CC1=CC(Cl)=C(C)C(Cl)=N1 D45795 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.22 CC1=CC(Cl)=C(F)C(C)=N1 C36765 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.22 CC1=CC(N)=C(Br)C(C)=N1 B46280 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.22 CC1=CC(O)=C(C)C(C)=C1 T68899 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.22 CC1=CC(O)=C(N)C(C)=N1 A43635 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.118 CC1=C(Br)N=C(Br)C(N)=N1 D32051 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.118 CC1=C(C)N=C(Cl)C(Cl)=N1 D42744 [1,1,0,0,0,0|1,0,0]=3 737 B10R1.118 CC1=C(C)N=C(Cl)C(N)=N1 C43271 [1,1,0,0,0,0|1,0,0]=3 738 B10R1.118 CC1=C(C)NC(=O)C(Cl)=N1 C43077 [1,1,0,0,0,0|1,0,1]=4 739 B10R1.118 CC1=CC(Br)=C(C)N=C1N B46283 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.118 CC1=CC(C)=C(Br)C=C1C B49964 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.118 CC1=CC(C)=C(Br)N=C1Br D45760 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.118 CC1=CC(C)=C([Mg+])C=C1C T31755 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.118 CC1=NC(C)=C(Br)C=C1Br D67801 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.119 CC1=CC=C(C)C(C)=C1C T67775 [1,1,0,0,0,0|2,0,0]=4 745 B10R1.119 CC1=CN=C(N)C(C)=C1C T46967 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 D46440 [0,1,0,0,1,0|1,0,1]=4 747 B10R1.59 CC(=O)C1=C(C)OC(C)=N1 D46406 [0,1,0,0,1,0|1,0,1]=4 748 B10R1.59 CC(=O)C1=CC(C)=NN1C D1042 [0,1,0,0,1,0|1,0,1]=4 749 B10R1.130 CC1=C(CCO)N=C(Br)S1 B43297 [0,1,0,0,1,0|2,0,0]=4 750 B10R1.130 CC1=CC(C)=NN1CCO D63007 [0,1,0,0,1,0|2,0,0]=4 751 B10R1.130 CNCC1=CC(C)=NN1C D43837 [0,1,0,0,1,0|1,0,0]=3 752 B10R1.94 CCOC1=NOC(C)=C1Br B64404 [0,1,0,0,1,0|2,0,0]=4 753 B12R1.78 COC1=CC=C(CN)N=C1OC D29503 [0,2,0,0,0,0|2,0,0]=4 754 B12R1.112 CCOC1=NC=C(Br)C=C1OC B46774 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.448 COC1=C(OC)N=C(Br)C(C)=C1 B46776 [0,2,0,0,0,0|2,0,0]=4 756 B12R1.233 CC1=CC(Br)=C(OC(C)C)N=C1 B50255 [0,2,0,0,0,0|2,0,0]=4 757 B12R1.1095 CC1=CC(C)=C(CCO)C(C)=C1 M54948 [0,2,0,0,0,0|2,0,0]=4 758 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 D55527 [0,2,0,0,0,0|2,0,0]=4 759 B12R1.1703 COC(=O)C1=NC=C(C)N=C1Cl M39043 [0,2,0,0,0,0|1,0,1]=4 760 B12R1.232 CC1=NC(C)=C(C(N)=O)N=C1Cl C66400 [0,2,0,0,0,0|1,0,1]=4 761 B12R1.1000 CC1=CC(C)=C([C@H](C)N)C(C)=C1 M54976 [0,2,0,0,0,0|2,0,0]=4 762 B12R1.449 CCC1=C(Cl)N=C(Br)C(C#N)=N1 B67227 [0,2,0,0,0,0|2,0,0]=4 763 B12R1.449 CCC1=C(Cl)N=C(Cl)C(C#N)=N1 D29582 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.654 COC1=C(C)C(CBr)=NC=C1C B50257 [0,2,0,0,0,0|2,0,0]=4 765 B12R1.654 COC1=C(C)C(CCl)=NC=C1C C14799 [0,2,0,0,0,0|2,0,0]=4 766 B12R1.654 COC1=C(C)C(CO)=NC=C1C D14800 [0,2,0,0,0,0|2,0,0]=4 767 B10R2.7 C1=CN=C2CCCC2=C1 C67437 [1,0,0,1,0,0|1,0,0]=3 768 B10R2.7 C1=CN=C2CNCC2=C1 D12180 [1,0,0,1,0,0|2,0,0]=4 769 B10R2.7 C1=CN=C2CNCC2=C1 D3602 [1,0,0,1,0,0|2,0,0]=4 770 B10R2.7 C1=CN=C2NCCC2=C1 D0150 [1,0,0,1,0,0|2,0,0]=4 771 B10R2.7 C1=CN=C2NCCC2=C1 D65478 [1,0,0,1,0,0|2,0,0]=4 772 B10R2.2 CN1C=C2CNCC2=N1 M60994 [0,0,0,1,1,0|2,0,0]=4 773 B10R2.32 BrC1=C2CCCN2N=C1 B21848 [0,0,0,1,1,0|2,0,0]=4 774 B12R2.24 BrC1=CN=C2CCCCC2=C1 B63820 [0,1,0,1,0,0|2,0,0]=4 775 B12R2.24 BrC1=CN=C2CCNCC2=C1 B4035 [0,1,0,1,0,0|2,0,0]=4 776 B12R2.24 BrC1=CN=C2CCNCC2=C1 B5101 [0,1,0,1,0,0|2,0,0]=4 777 B12R2.24 BrC1=CN=C2CNCCC2=C1 B14777 [0,1,0,1,0,0|2,0,0]=4 778 B12R2.24 BrC1=CN=C2CNCCC2=C1 B31695 [0,1,0,1,0,0|2,0,0]=4 779 B12R2.24 BrC1=NC2=C(C=C1)NCCC2 B37353 [0,1,0,1,0,0|2,0,0]=4 780 B12R2.24 CC1=CC2=C(C=C1)CCCC2 M54692 [0,1,0,1,0,0|2,0,0]=4 781 B12R2.24 CC1=CC2=C(C=C1)CCNC2 M52881 [0,1,0,1,0,0|2,0,0]=4 782 B12R2.24 CC1=CC2=C(C=C1)CCNC2 M61207 [0,1,0,1,0,0|2,0,0]=4 783 B12R2.24 CC1=CC=C2NCCNC2=N1 M46873 [0,1,0,1,0,0|2,0,0]=4 784 B12R2.24 ClC1=NC2=C(C=C1)CCCC2 C36781 [0,1,0,1,0,0|2,0,0]=4 785 B12R2.24 ClC1=NC2=C(C=C1)CCCN2 C49173 [0,1,0,1,0,0|2,0,0]=4 786 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 C4158 [0,1,0,1,0,0|2,0,0]=4 787 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 C49172 [0,1,0,1,0,0|2,0,0]=4 788 B12R2.24 NC1=CN=C2CCNCC2=C1 T49518 [0,1,0,1,0,0|2,0,0]=4 789 B12R2.24 OC1=CN=C2CCCCC2=C1 T38906 [0,1,0,1,0,0|2,0,0]=4 790 B12R2.24 OC1=CN=C2CCNCC2=C1 T4034 [0,1,0,1,0,0|2,0,0]=4 791 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 M52880 [0,1,0,1,0,0|2,0,0]=4 792 B12R2.246 ClC1=CC(Cl)=NC2=C1CCC2 D48429 [0,1,0,1,0,0|2,0,0]=4 793 B12R2.606 N[C@H]1CC2=CC(Br)=CN=C2C1 B62941 [0,1,0,1,0,0|2,0,0]=4 794 B8R1.1 CC1=CC(CN)=NO1 M15781 [1,0,0,0,1,0|2,0,0]=4 795 B8R1.1 CC1=CN=C(CO)S1 M41173 [1,0,0,0,1,0|2,0,0]=4 796 B8R1.1 CC1=CSC(CN)=N1 M64512 [1,0,0,0,1,0|2,0,0]=4 797 B8R1.1 CC1=NC(CCl)=NO1 C40128 [1,0,0,0,1,0|2,0,0]=4 798 B8R1.1 CC1=NC(CN)=CO1 M41196 [1,0,0,0,1,0|2,0,0]=4 799 B8R1.1 CC1=NC(CN)=CO1 M41310 [1,0,0,0,1,0|2,0,0]=4 800 B8R1.1 CC1=NC=C(CBr)S1 B41111 [1,0,0,0,1,0|2,0,0]=4 801 B8R1.1 CC1=NC=C(CN)O1 M41197 [1,0,0,0,1,0|2,0,0]=4 802 B8R1.1 CC1=NC=C(CO)O1 M37561 [1,0,0,0,1,0|2,0,0]=4 803 B8R1.1 CC1=NC=C(CO)S1 M1967 [1,0,0,0,1,0|2,0,0]=4 804 B8R1.1 CC1=NOC(CN)=C1 M41364 [1,0,0,0,1,0|2,0,0]=4 805 B8R1.1 CCC1=CC(N)=NO1 E41190 [1,0,0,0,1,0|2,0,0]=4 806 B8R1.1 CCC1=CC=C(C)S1 E43745 [1,0,0,0,1,0|2,0,0]=4 807 B8R1.1 CCC1=CN=C(C)N1 E41428 [1,0,0,0,1,0|0,0,1]=3 808 B8R1.1 CCC1=CN=C(N)S1 E41203 [1,0,0,0,1,0|2,0,0]=4 809 B8R1.1 CCC1=CN=C(N)S1 E69753 [1,0,0,0,1,0|2,0,0]=4 810 B8R1.1 CCC1=NC(C)=CS1 E43395 [1,0,0,0,1,0|1,0,0]=3 811 B8R1.1 CCC1=NNC(N)=C1 A9777 [1,0,0,0,1,0|2,0,0]=4 812 B8R1.1 CCC1=NOC(N)=C1 E41189 [1,0,0,0,1,0|2,0,0]=4 813 B8R1.1 CCN1C=C(Br)C=N1 B9823 [1,0,0,0,1,0|2,0,0]=4 814 B8R1.1 CCN1C=C(N)C=N1 A12746 [1,0,0,0,1,0|2,0,0]=4 815 B8R1.1 CN1C=C(CBr)C=N1 B27149 [1,0,0,0,1,0|2,0,0]=4 816 B8R1.1 CN1C=C(CN)C=N1 M16591 [1,0,0,0,1,0|2,0,0]=4 817 B8R1.1 CN1C=C(CN)C=N1 M17032 [1,0,0,0,1,0|2,0,0]=4 818 B8R1.1 CN1C=C(CN)C=N1 M9443 [1,0,0,0,1,0|2,0,0]=4 819 B8R1.1 CN1C=C(CO)C=N1 M10343 [1,0,0,0,1,0|2,0,0]=4 820 B8R1.1 CN1C=NC(CCl)=C1 C21803 [1,0,0,0,1,0|2,0,0]=4 821 B8R1.1 CN1C=NC(CCl)=N1 C40197 [1,0,0,0,1,0|2,0,0]=4 822 B8R1.1 CN1C=NC(CN)=C1 A11226 [1,0,0,0,1,0|2,0,0]=4 823 B8R1.1 CN1C=NC(CN)=C1 A11227 [1,0,0,0,1,0|2,0,0]=4 824 B8R1.1 CN1C=NC(CN)=C1 A29740 [1,0,0,0,1,0|2,0,0]=4 825 B8R1.1 CN1C=NC(CN)=N1 A14790 [1,0,0,0,1,0|2,0,0]=4 826 B8R1.1 CN1C=NC(CN)=N1 M29766 [1,0,0,0,1,0|2,0,0]=4 827 B8R1.1 CN1C=NC(CO)=C1 M12982 [1,0,0,0,1,0|2,0,0]=4 828 B8R1.1 CN1C=NC(CO)=N1 M14789 [1,0,0,0,1,0|2,0,0]=4 829 B8R1.1 CNC1=CN(C)N=C1 D41402 [1,0,0,0,1,0|2,0,0]=4 830 B8R1.11 CC1=C(CCl)NC=N1 C2452 [1,0,0,0,1,0|1,0,1]=4 831 B8R1.11 CC1=C(CO)NC=N1 H2822 [1,0,0,0,1,0|1,0,1]=4 832 B8R1.11 CC1=CNN=C1CO M63844 [1,0,0,0,1,0|2,0,0]=4 833 B8R1.11 CC1=NON=C1CN M61342 [1,0,0,0,1,0|2,0,0]=4 834 B8R1.11 CCC1=NC=CN1C E46632 [1,0,0,0,1,0|1,0,0]=3 835 B8R1.11 CCN1C=CN=C1C E63017 [1,0,0,0,1,0|1,0,0]=3 836 B8R1.11 CCN1N=CC=C1N E10472 [1,0,0,0,1,0|2,0,0]=4 837 B8R1.11 CN1C=CN=C1CCl C41129 [1,0,0,0,1,0|2,0,0]=4 838 B8R1.11 CN1C=CN=C1CCl C41132 [1,0,0,0,1,0|2,0,0]=4 839 B8R1.11 CN1C=CN=C1CN A13925 [1,0,0,0,1,0|2,0,0]=4 840 B8R1.11 CN1C=CN=C1CO M41198 [1,0,0,0,1,0|2,0,0]=4 841 B8R1.11 CN1N=CC=C1CCl C41130 [1,0,0,0,1,0|2,0,0]=4 842 B8R1.11 CN1N=CC=C1CN M9954 [1,0,0,0,1,0|2,0,0]=4 843 B8R1.11 CSC1=C(C)OC=C1 M43319 [1,0,0,0,1,0|2,0,0]=4 844 B8R1.18 CC1=C(C)NC(N)=N1 D41246 [1,0,0,0,1,0|1,0,1]=4 845 B8R1.18 CC1=C(C)SC(Br)=N1 B37797 [1,0,0,0,1,0|2,0,0]=4 846 B8R1.18 CC1=C(C)SC(N)=N1 D41205 [1,0,0,0,1,0|2,0,0]=4 847 B8R1.18 CC1=C(C)SC(N)=N1 D41367 [1,0,0,0,1,0|2,0,0]=4 848 B8R1.18 CC1=CC(Br)=NN1C B41126 [1,0,0,0,1,0|2,0,0]=4 849 B8R1.18 CC1=CC(C)=NN1C T41425 [1,0,0,0,1,0|1,0,0]=3 850 B8R1.18 CC1=CC(Cl)=NN1C C41128 [1,0,0,0,1,0|2,0,0]=4 851 B8R1.18 CC1=CC(N)=NN1C D41245 [1,0,0,0,1,0|2,0,0]=4 852 B8R1.18 CC1=CN(C)N=C1I K41134 [1,0,0,0,1,0|2,0,0]=4 853 B8R1.18 CC1=NC(Br)=C(C)S1 B41110 [1,0,0,0,1,0|2,0,0]=4 854 B8R1.18 CC1=NC(C)=C(C)O1 T43377 [1,0,0,0,1,0|1,0,0]=3 855 B8R1.18 CC1=NN(C)C(Br)=C1 B27171 [1,0,0,0,1,0|2,0,0]=4 856 B8R1.18 CC1=NN(C)C(Br)=C1 B2989 [1,0,0,0,1,0|2,0,0]=4 857 B8R1.18 CC1=NN(C)C(N)=C1 D1041 [1,0,0,0,1,0|2,0,0]=4 858 B8R1.18 CC1=NN(C)C(O)=C1 D9461 [1,0,0,0,1,0|2,0,0]=4 859 B8R1.18 CC1=NN(C)C=C1Br B12747 [1,0,0,0,1,0|2,0,0]=4 860 B8R1.18 CC1=NN(C)C=C1I K41135 [1,0,0,0,1,0|2,0,0]=4 861 B8R1.18 CC1=NN(C)C=C1N A10473 [1,0,0,0,1,0|2,0,0]=4 862 B8R1.18 CC1=NN(C)C=C1N D41244 [1,0,0,0,1,0|2,0,0]=4 863 B8R1.18 CC1=NN(C)N=C1Br B39014 [1,0,0,0,1,0|2,0,0]=4 864 B8R1.50 CC1=C(Br)C=NN1C B41125 [1,0,0,0,1,0|2,0,0]=4 865 B8R1.50 CC1=C(Br)N(C)N=C1 B19368 [1,0,0,0,1,0|2,0,0]=4 866 B8R1.50 CC1=C(C)C(N)=NN1 D26412 [1,0,0,0,1,0|2,0,0]=4 867 B8R1.50 CC1=C(C)C(N)=NO1 D1375 [1,0,0,0,1,0|2,0,0]=4 868 B8R1.50 CC1=C(N)C=NN1C D41401 [1,0,0,0,1,0|2,0,0]=4 869 B8R1.50 CC1=NC=C(Br)N1C B41127 [1,0,0,0,1,0|2,0,0]=4 870 B8R1.50 CC1=NNC(C)=C1Br B39180 [1,0,0,0,1,0|2,0,0]=4 871 B8R1.50 CC1=NNC(C)=C1I D41133 [1,0,0,0,1,0|2,0,0]=4 872 B8R1.50 CC1=NOC(C)=C1Br B7571 [1,0,0,0,1,0|2,0,0]=4 873 B8R1.50 CC1=NOC(C)=C1I D39177 [1,0,0,0,1,0|2,0,0]=4