0 B11R1.280 CCC1=C(Br)C=CC(C#N)=C1 B51449 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.280 CCC1=C(F)C=CC(C#N)=C1 E51459 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.280 CCC1=C(N)C=CC(C#N)=C1 A49710 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.280 COC1=C(Br)C=CC(C#N)=C1 B48071 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.280 COC1=C(Br)C=CC(C=O)=C1 B38611 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.280 COC1=C(Br)C=CC(CO)=C1 B49380 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.280 COC1=C(C)C=CC(C#N)=C1 M51762 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.280 COC1=C(C)C=CC(C=O)=C1 M49889 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 C48599 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.280 COC1=C(Cl)C=CC(CBr)=C1 B49133 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 C49387 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.280 COC1=C(F)C=CC(C#N)=C1 F48103 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.280 COC1=C(F)C=CC(C=O)=C1 F18436 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.280 COC1=C(F)C=CC(CBr)=C1 B49142 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.280 COC1=C(N)C=CC(C#N)=C1 A48802 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.280 COC1=C(N)C=CC(CO)=C1 A46925 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.280 COC1=C(N)N=CC(C#N)=C1 A45735 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.280 COC1=C(O)C=CC(C#N)=C1 H61784 [0,0,0,0,0,0|1,0,1]=2 18 B11R1.280 COC1=C(O)C=CC(CN)=C1 A68828 [0,0,0,0,0,0|1,0,0]=1 19 B11R1.280 COC1=CC(C#N)=C(Br)C=C1 B48067 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.280 COC1=CC(C#N)=C(F)C=C1 F48100 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.280 COC1=CC(C#N)=C(N)C=C1 A67696 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.280 COC1=CC(C#N)=CN=C1Cl C44836 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.280 COC1=CC(C=O)=C(Br)C=C1 B38772 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.280 COC1=CC(C=O)=C(C)C=C1 M49892 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.280 COC1=CC(C=O)=C(Cl)C=C1 C37152 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.280 COC1=CC(C=O)=C(F)C=C1 F48618 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.280 COC1=CC(C=O)=C(O)C=C1 H67408 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.280 COC1=CC(CBr)=C(Br)C=C1 B49130 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.280 COC1=CC(CN)=C(Br)C=C1 B46795 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.280 COC1=CC(CO)=C(Br)C=C1 B49378 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.280 COC1=CC(CO)=C(C)C=C1 M50289 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.280 COC1=CC(CO)=C(N)C=C1 A46923 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.280 COC1=CC(OC)=C(Br)C=C1 D3157 [0,0,0,0,0,0|2,0,0]=2 34 B11R1.280 COC1=CC(OC)=C(Br)C=N1 B64849 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.280 COC1=CC(OC)=C(O)C=C1 D46840 [0,0,0,0,0,0|1,0,0]=1 36 B11R1.280 COC1=CC(OC)=C([Mg+])C=C1 D31787 [0,0,0,0,0,0|2,0,0]=2 37 B11R1.280 COC1=CC(OC)=NC=C1N D63588 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.280 COC1=CC=C(N)C(OC)=N1 A22799 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.280 COC1=NC(OC)=C(Br)C=C1 B46125 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.280 COC1=NC(OC)=C(Br)C=N1 B2449 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.280 COC1=NC(OC)=C(I)C=N1 K43047 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.280 COC1=NC(OC)=C(N)C=N1 D36997 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.280 CSC1=CC(C=O)=C(O)C=C1 H49089 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.280 N#CC1=C(Br)C=CC(CBr)=C1 B63795 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.280 N#CC1=C(Br)C=CC(CO)=C1 B48078 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.280 N#CC1=C(F)C=CC(CBr)=C1 B47674 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.280 N#CC1=C(F)C=CC(CN)=C1 A49599 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.280 N#CC1=C(O)C=CC(C=O)=C1 F47715 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.280 N#CC1=CC(C#N)=C(O)C=C1 H47349 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.280 N#CC1=CC(C=O)=C(O)C=C1 F47714 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.280 O=CC1=C(O)C=CC(CO)=C1 H63819 [0,0,0,0,0,0|3,0,0]=3 52 B10R1.30 C#CC1=C(N)C=CC(C)=C1 E51676 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.30 CC1=CC(C#N)=C(Br)C=C1 B47946 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.30 CC1=CC(C#N)=C(Cl)C=C1 C47961 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.30 CC1=CC(C#N)=C(F)C=C1 F47973 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.30 CC1=CC(C#N)=C(N)C=C1 A48782 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.30 CC1=CC(C#N)=C(O)C=C1 H63627 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.30 CC1=CC(C=O)=C(Br)C=C1 B48712 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.30 CC1=CC(C=O)=C(C)C=C1 D38715 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.30 CC1=CC(C=O)=C(Cl)C=C1 C48727 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.30 CC1=CC(C=O)=C(F)C=C1 F48738 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.30 CC1=CC(C=O)=C(O)C=C1 H49070 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.30 CC1=CC(CO)=C(Br)C=C1 B63209 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.30 CC1=CC(NN)=C(C)C=C1 D49535 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.30 CC1=CC(NN)=C(Cl)C=C1 C46307 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.30 CC1=CC=C(O)C(CCl)=N1 C65989 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.30 CC1=NC(CO)=C(O)C=C1 H46408 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.30 CCC1=C(Br)C=CC(O)=C1 B49425 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.30 CCC1=C(F)C=CC(Br)=C1 B48764 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.30 CCC1=C(N)C=CC(Br)=C1 B66403 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.30 CCC1=C(N)C=CC(Cl)=C1 C46752 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.30 CNC1=C(C)C=CC(O)=C1 M46910 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.30 CNC1=C(N)C=CC(Br)=C1 B46288 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.30 CNC1=C(N)C=CC(C)=C1 D46972 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.30 CNC1=C(N)C=CC(Cl)=C1 C46304 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.30 COC1=C(Br)C=CC(Br)=C1 D45542 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.30 COC1=C(Br)C=CC(C)=C1 B49434 [1,0,0,0,0,0|1,0,0]=2 78 B10R1.30 COC1=C(Br)C=CC(C)=N1 B46169 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 B45562 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.30 COC1=C(Br)C=CC(Cl)=N1 B42644 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.30 COC1=C(Br)C=CC(F)=C1 B45575 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.30 COC1=C(Br)C=CC(I)=C1 B45582 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.30 COC1=C(Br)C=CC(N)=C1 B46156 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.30 COC1=C(Br)C=CC(N)=N1 B17534 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.30 COC1=C(Br)C=CC(O)=C1 B45901 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.30 COC1=C(Br)C=NC(C)=C1 B46174 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.30 COC1=C(Br)C=NC(Cl)=C1 B42647 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.30 COC1=C(Br)C=NC(N)=C1 B17813 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.30 COC1=C(C)C=CC(Br)=C1 B49441 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.30 COC1=C(C)C=CC(C)=C1 M50278 [1,0,0,0,0,0|1,0,0]=2 91 B10R1.30 COC1=C(C)C=CC(N)=C1 M46899 [1,0,0,0,0,0|2,0,0]=3 92 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 B45554 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 D45591 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.30 COC1=C(Cl)C=CC(F)=C1 C45592 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.30 COC1=C(Cl)C=CC(I)=C1 C45601 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.30 COC1=C(Cl)C=CC(N)=C1 C46190 [1,0,0,0,0,0|2,0,0]=3 97 B10R1.30 COC1=C(Cl)C=CC(O)=C1 C45912 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.30 COC1=C(F)C=CC(Br)=C1 B45577 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.30 COC1=C(F)C=CC(C)=N1 F46220 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.30 COC1=C(F)C=CC(Cl)=N1 C32280 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.30 COC1=C(F)C=CC(I)=C1 F63969 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.30 COC1=C(F)C=CC(N)=C1 F46210 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.30 COC1=C(F)C=CC(O)=C1 F45918 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.30 COC1=C(I)C=CC(Br)=C1 B38625 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.30 COC1=C(I)C=CC(Cl)=C1 C45603 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.30 COC1=C(I)C=CC(N)=C1 K46230 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.30 COC1=C(I)C=NC(Cl)=C1 C42674 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.30 COC1=C(N)C=CC(Br)=C1 B37849 [1,0,0,0,0,0|2,0,0]=3 109 B10R1.30 COC1=C(N)C=CC(Br)=N1 B3763 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.30 COC1=C(N)C=CC(C)=C1 M69494 [1,0,0,0,0,0|1,0,0]=2 111 B10R1.30 COC1=C(N)C=CC(Cl)=C1 C46189 [1,0,0,0,0,0|2,0,0]=3 112 B10R1.30 COC1=C(N)C=CC(Cl)=C1 C46203 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.30 COC1=C(N)C=CC(F)=C1 F46209 [1,0,0,0,0,0|2,0,0]=3 114 B10R1.30 COC1=C(N)C=CC(N)=C1 M43596 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.30 COC1=C(O)C=CC(Br)=C1 B1785 [1,0,0,0,0,0|1,0,0]=2 116 B10R1.30 COC1=C(O)C=CC(Br)=N1 B61798 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.30 COC1=C(O)C=CC(C)=C1 M69495 [1,0,0,0,0,0|0,0,0]=1 118 B10R1.30 COC1=C(O)C=CC(Cl)=C1 C63275 [1,0,0,0,0,0|1,0,0]=2 119 B10R1.30 COC1=C(O)C=CC(F)=C1 F23730 [1,0,0,0,0,0|1,0,0]=2 120 B10R1.30 COC1=C(O)C=CC(N)=C1 A46396 [1,0,0,0,0,0|1,0,0]=2 121 B10R1.30 COC1=C([Mg+])C=CC(Cl)=C1 C31792 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.30 COC1=CC(Br)=CN=C1C B16799 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.30 COC1=CC(Br)=CN=C1Cl B9982 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.30 COC1=CC(Br)=CN=C1N B23636 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.30 COC1=CC(Br)=CNC1=O B32141 [1,0,0,0,0,0|2,0,1]=4 126 B10R1.30 COC1=CC(Br)=NC=C1Br D42630 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.30 COC1=CC(Br)=NC=C1C B46167 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.30 COC1=CC(Br)=NC=C1N B37656 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.30 COC1=CC(Cl)=NC=C1Cl D16638 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.30 COC1=CC(Cl)=NC=C1N C32017 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.30 COC1=CC(F)=CN=C1N F43083 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.30 COC1=CC(N)=CN=C1Br B37681 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.30 COC1=CC(N)=CN=C1Cl C25246 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.30 COC1=CC(O)=CN=C1Cl C12083 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.30 COC1=NC(C)=CC=C1N A67537 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.30 COC1=NC(C)=CN=C1N M26266 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.30 COC1=NC(C)=NC=C1N M43356 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.30 CSC1=C(N)C=CC(Br)=C1 B69348 [1,0,0,0,0,0|2,1,0]=4 139 B10R1.30 N#CC1=C(O)C=CC(Br)=C1 B67895 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.30 N#CC1=C(O)C=CC(Cl)=C1 C44536 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.30 N#CC1=C(O)C=CC(F)=C1 F44550 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.30 N#CC1=C(O)C=CC(N)=C1 A45221 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.30 NCC1=C(O)C=CC(Br)=C1 A46182 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.30 O=CC1=C(O)C=CC(Cl)=C1 C67854 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.30 O=CC1=C(O)C=CC(F)=C1 F67833 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.30 O=CC1=C(O)C=CC(I)=C1 H45105 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.30 O=CC1=C(O)C=CC(O)=C1 D60796 [1,0,0,0,0,0|3,0,0]=4 148 B10R1.30 OCC1=C(O)C=CC(Br)=C1 B68796 [1,0,0,0,0,0|3,0,0]=4 149 B10R1.172 BrCC1=CC=CC(CBr)=C1 B48751 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.172 C#CC1=CC=CC(CN)=C1 E39003 [1,0,0,0,0,0|2,0,1]=4 151 B10R1.172 C#CC1=CC=CC(OC)=C1 E25312 [1,0,0,0,0,0|0,0,2]=3 152 B10R1.172 CCC1=CC=CC(C#N)=C1 E38775 [1,0,0,0,0,0|2,0,0]=3 153 B10R1.172 CCC1=CC=CC(C#N)=N1 E13406 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.172 CCC1=CC=CC(C=O)=C1 E49870 [1,0,0,0,0,0|2,0,0]=3 155 B10R1.172 CCC1=CC=CC(C=O)=N1 E49258 [1,0,0,0,0,0|3,0,0]=4 156 B10R1.172 CCC1=CC=CC(CC)=N1 D50308 [1,0,0,0,0,0|2,0,0]=3 157 B10R1.172 CCC1=CC=CC(CO)=N1 E46907 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.172 CCC1=CC=CC(NC)=N1 E46969 [1,0,0,0,0,0|2,0,0]=3 159 B10R1.172 CCC1=NC=CC(C#N)=C1 E48777 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.172 CNC1=CC=CC(C#N)=C1 M48778 [1,0,0,0,0,0|2,0,1]=4 161 B10R1.172 CNC1=CC=CC(OC)=N1 M43638 [1,0,0,0,0,0|2,0,0]=3 162 B10R1.172 COC1=CC(C#N)=CC=C1 M65442 [1,0,0,0,0,0|1,0,1]=3 163 B10R1.172 COC1=CC(C#N)=NC=C1 M9468 [1,0,0,0,0,0|2,0,1]=4 164 B10R1.172 COC1=CC(C=O)=CN=C1 M2961 [1,0,0,0,0,0|2,0,1]=4 165 B10R1.172 COC1=CC(C=O)=NC=C1 M38180 [1,0,0,0,0,0|2,0,1]=4 166 B10R1.172 COC1=CC(CCl)=NC=C1 C46205 [1,0,0,0,0,0|2,0,0]=3 167 B10R1.172 COC1=CC(CN)=CC=C1 M27985 [1,0,0,0,0,0|1,0,0]=2 168 B10R1.172 COC1=CC(CN)=NC=C1 M36712 [1,0,0,0,0,0|2,0,0]=3 169 B10R1.172 COC1=CC(CN)=NC=C1 M46591 [1,0,0,0,0,0|2,0,0]=3 170 B10R1.172 COC1=CC(CO)=CC=C1 M39430 [1,0,0,0,0,0|1,0,0]=2 171 B10R1.172 COC1=CC(CO)=NC=C1 M38100 [1,0,0,0,0,0|2,0,0]=3 172 B10R1.172 COC1=CC(NN)=CC=C1 M69005 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.172 COC1=CC(OC)=NC=C1 D46390 [1,0,0,0,0,0|2,0,0]=3 174 B10R1.172 COC1=CC(OC)=NC=N1 D3513 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.172 COC1=CC(OC)=NN=C1 D43215 [1,0,0,0,0,0|3,0,0]=4 176 B10R1.172 COC1=CC=CC(C=O)=C1 M67838 [1,0,0,0,0,0|1,0,1]=3 177 B10R1.172 COC1=CC=CC(C=O)=N1 M24168 [1,0,0,0,0,0|2,0,1]=4 178 B10R1.172 COC1=CC=CC(CBr)=N1 B46166 [1,0,0,0,0,0|2,0,0]=3 179 B10R1.172 COC1=CC=CC(CCl)=C1 C49452 [1,0,0,0,0,0|1,0,0]=2 180 B10R1.172 COC1=CC=CC(CCl)=N1 C46206 [1,0,0,0,0,0|2,0,0]=3 181 B10R1.172 COC1=CC=CC(OC)=N1 D39418 [1,0,0,0,0,0|2,0,0]=3 182 B10R1.172 COC1=CC=NC(OC)=N1 D68887 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.172 COC1=CN=CC(C#N)=C1 M45213 [1,0,0,0,0,0|2,0,1]=4 184 B10R1.172 COC1=CN=CC(CN)=C1 M11309 [1,0,0,0,0,0|2,0,0]=3 185 B10R1.172 COC1=CN=CC(CO)=C1 M14136 [1,0,0,0,0,0|2,0,0]=3 186 B10R1.172 COC1=CN=CC(OC)=C1 D28467 [1,0,0,0,0,0|2,0,0]=3 187 B10R1.172 COC1=CN=CC(OC)=N1 D4873 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.172 COC1=NC(C#N)=CC=C1 M9383 [1,0,0,0,0,0|2,0,1]=4 189 B10R1.172 COC1=NC(CN)=CC=C1 M46592 [1,0,0,0,0,0|2,0,0]=3 190 B10R1.172 COC1=NC(CN)=CC=N1 M43577 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.172 COC1=NC(CN)=NC=C1 M27520 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.172 COC1=NC(CO)=CC=C1 M46402 [1,0,0,0,0,0|2,0,0]=3 193 B10R1.172 COC1=NC(CO)=CC=N1 H11374 [1,0,0,0,0,0|3,0,0]=4 194 B10R1.172 COC1=NC=CC(C#N)=C1 C12714 [1,0,0,0,0,0|2,0,1]=4 195 B10R1.172 COC1=NC=CC(C=O)=C1 M3688 [1,0,0,0,0,0|2,0,1]=4 196 B10R1.172 COC1=NC=CC(CN)=C1 M0578 [1,0,0,0,0,0|2,0,0]=3 197 B10R1.172 COC1=NC=CC(CO)=C1 M0582 [1,0,0,0,0,0|2,0,0]=3 198 B10R1.172 ClCC1=CC=CC(CCl)=C1 B48773 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.172 N#CC1=CC(CN)=CC=C1 A37624 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.172 N#CC1=CC=CC(CBr)=C1 B47943 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.172 N#CC1=CC=CC(CCl)=C1 C47958 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.172 N#CC1=CC=CC(CO)=C1 C48440 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.172 NCC1=CC=CC(CO)=C1 A46908 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.172 O=CC1=CC(CO)=CC=C1 H36764 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.172 O=CC1=CC=CC(CBr)=C1 B48710 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.172 OCC1=CC=CC(CCl)=C1 C49450 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.176 BrCC1=CC(Br)=C(Br)C=C1 D44703 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.176 CC1=C(Br)C=C(CBr)C=C1 B38347 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.176 CC1=C(Br)C=C(CO)C=C1 B49432 [1,0,0,0,0,0|3,0,0]=4 210 B10R1.176 CC1=C(Br)C=CC(C#N)=C1 B47951 [1,0,0,0,0,0|2,0,1]=4 211 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 B48717 [1,0,0,0,0,0|2,0,1]=4 212 B10R1.176 CC1=C(Br)C=CC(CBr)=C1 B48757 [1,0,0,0,0,0|2,0,0]=3 213 B10R1.176 CC1=C(Br)C=CC(CO)=C1 B49433 [1,0,0,0,0,0|2,0,0]=3 214 B10R1.176 CC1=C(Br)C=NC(CO)=C1 B46178 [1,0,0,0,0,0|3,0,0]=4 215 B10R1.176 CC1=C(C)C=C(C#N)C=C1 D51674 [1,0,0,0,0,0|2,0,1]=4 216 B10R1.176 CC1=C(C)C=C(CCl)C=C1 C49971 [1,0,0,0,0,0|2,0,0]=3 217 B10R1.176 CC1=C(C)C=C(CO)C=C1 D50275 [1,0,0,0,0,0|2,0,0]=3 218 B10R1.176 CC1=C(C)C=C(NN)C=C1 D39524 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 C46749 [1,0,0,0,0,0|3,0,0]=4 220 B10R1.176 CC1=C(Cl)C=CC(C#N)=C1 C47965 [1,0,0,0,0,0|2,0,1]=4 221 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 C48730 [1,0,0,0,0,0|2,0,1]=4 222 B10R1.176 CC1=C(F)C=CC(C#N)=C1 F47979 [1,0,0,0,0,0|2,0,1]=4 223 B10R1.176 CC1=C(F)C=CC(C=O)=C1 F48742 [1,0,0,0,0,0|2,0,1]=4 224 B10R1.176 CC1=C(F)C=CC(CCl)=N1 C19366 [1,0,0,0,0,0|3,0,0]=4 225 B10R1.176 CC1=C(F)C=CC(CN)=C1 F46767 [1,0,0,0,0,0|2,0,0]=3 226 B10R1.176 CC1=C(I)C=C(CO)C=C1 K63324 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.176 CC1=C(N)C=CC(C#N)=C1 A48784 [1,0,0,0,0,0|2,0,1]=4 228 B10R1.176 CC1=C(O)C=C(C#N)C=C1 H48447 [1,0,0,0,0,0|2,0,1]=4 229 B10R1.176 CC1=C(O)C=C(C=O)C=C1 H67820 [1,0,0,0,0,0|2,0,1]=4 230 B10R1.176 CC1=C(O)C=CC(C#N)=C1 H48450 [1,0,0,0,0,0|1,0,1]=3 231 B10R1.176 CC1=C(O)C=CC(C=O)=C1 H49074 [1,0,0,0,0,0|1,0,1]=3 232 B10R1.176 CC1=C(O)C=CC(CO)=C1 H46832 [1,0,0,0,0,0|1,0,0]=2 233 B10R1.176 CC1=C(O)C=NC(C#N)=C1 H63100 [1,0,0,0,0,0|2,0,1]=4 234 B10R1.176 CCC1=CC(Br)=C(O)C=C1 B49424 [1,0,0,0,0,0|1,0,0]=2 235 B10R1.176 CCC1=CC(C)=C(C)C=C1 E53022 [1,0,0,0,0,0|1,0,0]=2 236 B10R1.176 CCC1=CC(C)=C(I)C=C1 E49973 [1,0,0,0,0,0|1,0,0]=2 237 B10R1.176 CCC1=CC(F)=C(N)C=C1 E46758 [1,0,0,0,0,0|2,0,0]=3 238 B10R1.176 CCC1=CC(N)=C(N)C=C1 E49664 [1,0,0,0,0,0|2,0,0]=3 239 B10R1.176 CCC1=CC(O)=C(N)C=C1 A49521 [1,0,0,0,0,0|1,0,0]=2 240 B10R1.176 CCC1=NC(C)=C(C)N=C1 E46963 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.176 CCC1=NC(Cl)=C(Br)C=C1 B45765 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.176 CN1C=C(CN)C=CC1=O A12261 [1,0,0,0,0,0|2,0,1]=4 243 B10R1.176 CN1C=C(CN)C=CC1=O A31857 [1,0,0,0,0,0|2,0,1]=4 244 B10R1.176 CN1C=C(CO)C=CC1=O H7538 [1,0,0,0,0,0|2,0,1]=4 245 B10R1.176 CNC1=CC(Cl)=C(Cl)C=C1 D45789 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.176 COC1=CC(Br)=C(Br)C=C1 D45549 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.176 COC1=CC(Br)=C(C)C=C1 B49439 [1,0,0,0,0,0|3,0,0]=4 248 B10R1.176 COC1=CC(Br)=C(Cl)C=C1 B45563 [1,0,0,0,0,0|3,0,0]=4 249 B10R1.176 COC1=CC(Br)=C(F)C=C1 B45565 [1,0,0,0,0,0|3,0,0]=4 250 B10R1.176 COC1=CC(Br)=C(I)C=C1 B45583 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.176 COC1=CC(Br)=C(N)C=C1 B38510 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.176 COC1=CC(Br)=C(O)C=C1 B38008 [1,0,0,0,0,0|2,0,0]=3 253 B10R1.176 COC1=CC(C)=C(Br)C=C1 B49437 [1,0,0,0,0,0|2,0,0]=3 254 B10R1.176 COC1=CC(C)=C(Br)C=N1 B46173 [1,0,0,0,0,0|3,0,0]=4 255 B10R1.176 COC1=CC(C)=C(F)C=C1 F49456 [1,0,0,0,0,0|2,0,0]=3 256 B10R1.176 COC1=CC(C)=C(O)C=C1 H38045 [1,0,0,0,0,0|1,0,0]=2 257 B10R1.176 COC1=CC(C)=C([Mg+])C=C1 M31768 [1,0,0,0,0,0|2,0,0]=3 258 B10R1.176 COC1=CC(Cl)=C(Br)C=C1 B45553 [1,0,0,0,0,0|3,0,0]=4 259 B10R1.176 COC1=CC(Cl)=C(C)C=C1 C49453 [1,0,0,0,0,0|3,0,0]=4 260 B10R1.176 COC1=CC(Cl)=C(Cl)C=C1 D45585 [1,0,0,0,0,0|3,0,0]=4 261 B10R1.176 COC1=CC(Cl)=C(F)C=C1 C45600 [1,0,0,0,0,0|3,0,0]=4 262 B10R1.176 COC1=CC(Cl)=C(I)C=C1 C63668 [1,0,0,0,0,0|3,0,0]=4 263 B10R1.176 COC1=CC(Cl)=C(N)C=C1 C37946 [1,0,0,0,0,0|3,0,0]=4 264 B10R1.176 COC1=CC(Cl)=C(O)C=C1 C45910 [1,0,0,0,0,0|2,0,0]=3 265 B10R1.176 COC1=CC(F)=C(Br)C=C1 B45566 [1,0,0,0,0,0|3,0,0]=4 266 B10R1.176 COC1=CC(F)=C(C)C=C1 F49466 [1,0,0,0,0,0|3,0,0]=4 267 B10R1.176 COC1=CC(F)=C(Cl)C=C1 C45599 [1,0,0,0,0,0|3,0,0]=4 268 B10R1.176 COC1=CC(F)=C(F)C=C1 D65181 [1,0,0,0,0,0|3,0,0]=4 269 B10R1.176 COC1=CC(F)=C(N)C=C1 F38553 [1,0,0,0,0,0|3,0,0]=4 270 B10R1.176 COC1=CC(I)=C(Br)C=C1 B38541 [1,0,0,0,0,0|3,0,0]=4 271 B10R1.176 COC1=CC(I)=C(Cl)C=C1 C63030 [1,0,0,0,0,0|3,0,0]=4 272 B10R1.176 COC1=CC(I)=C(N)C=C1 K46228 [1,0,0,0,0,0|3,0,0]=4 273 B10R1.176 COC1=CC(N)=C(Br)C=C1 B46152 [1,0,0,0,0,0|3,0,0]=4 274 B10R1.176 COC1=CC(N)=C(C)C=C1 M46901 [1,0,0,0,0,0|3,0,0]=4 275 B10R1.176 COC1=CC(N)=C(Cl)C=C1 C46185 [1,0,0,0,0,0|3,0,0]=4 276 B10R1.176 COC1=CC(N)=C(F)C=C1 F36653 [1,0,0,0,0,0|3,0,0]=4 277 B10R1.176 COC1=CC(N)=C(I)C=C1 I5695 [1,0,0,0,0,0|3,0,0]=4 278 B10R1.176 COC1=CC(N)=C(N)C=C1 M43632 [1,0,0,0,0,0|3,0,0]=4 279 B10R1.176 COC1=CC(N)=C(N)C=C1 M46463 [1,0,0,0,0,0|3,0,0]=4 280 B10R1.176 COC1=CC(N)=C(O)C=C1 A46393 [1,0,0,0,0,0|2,0,0]=3 281 B10R1.176 COC1=CC(O)=C(Br)C=C1 B45898 [1,0,0,0,0,0|2,0,0]=3 282 B10R1.176 COC1=CC(O)=C(C)C=C1 M46827 [1,0,0,0,0,0|2,0,0]=3 283 B10R1.176 COC1=CC(O)=C(I)C=C1 K45922 [1,0,0,0,0,0|2,0,0]=3 284 B10R1.176 COC1=CC(O)=C(N)C=C1 A46394 [1,0,0,0,0,0|2,0,0]=3 285 B10R1.176 COC1=CC(O)=C(N)C=C1 A46576 [1,0,0,0,0,0|2,0,0]=3 286 B10R1.176 COC1=CN=C(Cl)C(C)=C1 C46201 [1,0,0,0,0,0|3,0,0]=4 287 B10R1.176 COC1=NC(C)=C(Br)C=C1 B46158 [1,0,0,0,0,0|3,0,0]=4 288 B10R1.176 COC1=NC(C)=C(F)C=C1 F46212 [1,0,0,0,0,0|3,0,0]=4 289 B10R1.176 COC1=NC(C)=C(N)C=C1 M46590 [1,0,0,0,0,0|3,0,0]=4 290 B10R1.176 COC1=NC(C)=C(N)C=C1 M69566 [1,0,0,0,0,0|3,0,0]=4 291 B10R1.176 COC1=NC=C(N)C(C)=C1 M43641 [1,0,0,0,0,0|3,0,0]=4 292 B10R1.176 ClC1=C(Cl)C=C(CBr)C=C1 D44705 [1,0,0,0,0,0|3,0,0]=4 293 B10R1.176 FC1=C(Br)C=C(CBr)C=C1 B44699 [1,0,0,0,0,0|3,0,0]=4 294 B10R1.176 FC1=C(Br)C=CC(CBr)=C1 B44697 [1,0,0,0,0,0|3,0,0]=4 295 B10R1.176 FC1=C(Cl)C=C(CBr)C=C1 B44717 [1,0,0,0,0,0|3,0,0]=4 296 B10R1.176 FC1=C(Cl)C=C(CCl)C=C1 C44729 [1,0,0,0,0,0|3,0,0]=4 297 B10R1.176 N#CC1=CC(Br)=C(O)C=C1 B44522 [1,0,0,0,0,0|2,0,1]=4 298 B10R1.176 N#CC1=CC(Cl)=C(O)C=C1 C22522 [1,0,0,0,0,0|2,0,1]=4 299 B10R1.176 N#CC1=CC(F)=C(O)C=C1 F44546 [1,0,0,0,0,0|2,0,1]=4 300 B10R1.176 N#CC1=CC(I)=C(O)C=C1 H44558 [1,0,0,0,0,0|2,0,1]=4 301 B10R1.176 N#CC1=CC(N)=C(O)C=C1 A69485 [1,0,0,0,0,0|2,0,1]=4 302 B10R1.176 N#CC1=CC(O)=C(Br)C=C1 B69537 [1,0,0,0,0,0|2,0,1]=4 303 B10R1.176 N#CC1=CC(O)=C(Cl)C=C1 C44535 [1,0,0,0,0,0|2,0,1]=4 304 B10R1.176 N#CC1=CC(O)=C(F)C=C1 F44549 [1,0,0,0,0,0|2,0,1]=4 305 B10R1.176 N#CC1=CC(O)=C(O)C=C1 P68087 [1,0,0,0,0,0|1,0,1]=3 306 B10R1.176 NC1=C(Br)C=CC(CO)=C1 A63987 [1,0,0,0,0,0|3,0,0]=4 307 B10R1.176 NC1=C(F)C=CC(CO)=C1 A46218 [1,0,0,0,0,0|3,0,0]=4 308 B10R1.176 NC1=C(O)C=CC(CO)=C1 A46403 [1,0,0,0,0,0|2,0,0]=3 309 B10R1.176 NCC1=CC(Cl)=C(Br)C=C1 B45768 [1,0,0,0,0,0|3,0,0]=4 310 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 D45785 [1,0,0,0,0,0|3,0,0]=4 311 B10R1.176 NCC1=CC(Cl)=C(F)C=C1 C45798 [1,0,0,0,0,0|3,0,0]=4 312 B10R1.176 NCC1=CC(F)=C(Br)C=C1 B37399 [1,0,0,0,0,0|3,0,0]=4 313 B10R1.176 NCC1=CC(F)=C(Cl)C=C1 C45803 [1,0,0,0,0,0|3,0,0]=4 314 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 B45084 [1,0,0,0,0,0|2,0,1]=4 315 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 C45092 [1,0,0,0,0,0|2,0,1]=4 316 B10R1.176 O=CC1=CC(F)=C(O)C=C1 F45101 [1,0,0,0,0,0|2,0,1]=4 317 B10R1.176 O=CC1=CC(I)=C(O)C=C1 H69424 [1,0,0,0,0,0|2,0,1]=4 318 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 B36771 [1,0,0,0,0,0|2,0,1]=4 319 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 C36636 [1,0,0,0,0,0|2,0,1]=4 320 B10R1.176 O=CC1=CC(O)=C(I)C=C1 H61294 [1,0,0,0,0,0|2,0,1]=4 321 B10R1.176 OCC1=CC(Br)=C(Cl)C=C1 B45556 [1,0,0,0,0,0|3,0,0]=4 322 B10R1.176 OCC1=CC(Br)=C(O)C=C1 B45902 [1,0,0,0,0,0|2,0,0]=3 323 B10R1.176 OCC1=CC(Cl)=C(Cl)C=C1 D45586 [1,0,0,0,0,0|3,0,0]=4 324 B10R1.176 OCC1=CC(F)=C(Br)C=C1 B45570 [1,0,0,0,0,0|3,0,0]=4 325 B10R1.176 OCC1=CC(F)=C(Cl)C=C1 C45597 [1,0,0,0,0,0|3,0,0]=4 326 B10R1.176 OCC1=CC(F)=C(F)C=C1 D45608 [1,0,0,0,0,0|3,0,0]=4 327 B10R1.176 OCC1=CC(O)=C(Br)C=C1 B45903 [1,0,0,0,0,0|2,0,0]=3 328 B10R1.176 OCC1=CC(O)=C(F)C=C1 F45920 [1,0,0,0,0,0|2,0,0]=3 329 B10R1.176 OCC1=CC(O)=C(I)C=C1 H45924 [1,0,0,0,0,0|2,0,0]=3 330 B12R1.56 CC(C)C1=CC(C=O)=C(O)C=C1 H64032 [0,1,0,0,0,0|2,0,0]=3 331 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 B48643 [0,1,0,0,0,0|2,0,1]=4 332 B12R1.56 COC1=C(Br)C=CC([N+](=O)[O-])=C1 B45404 [0,1,0,0,0,0|3,0,0]=4 333 B12R1.56 COC1=C(C)C=CC(B(O)O)=C1 M46943 [0,1,0,0,0,0|3,0,0]=4 334 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 M39538 [0,1,0,0,0,0|2,0,1]=4 335 B12R1.56 COC1=C(C)C=CC([N+](=O)[O-])=C1 M69040 [0,1,0,0,0,0|3,0,0]=4 336 B12R1.56 COC1=C(Cl)C=CC(B(O)O)=C1 C46262 [0,1,0,0,0,0|3,0,0]=4 337 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 C48658 [0,1,0,0,0,0|2,0,1]=4 338 B12R1.56 COC1=C(Cl)C=CC([N+](=O)[O-])=C1 C45437 [0,1,0,0,0,0|3,0,0]=4 339 B12R1.56 COC1=C(F)C=CC(B(O)O)=C1 F46263 [0,1,0,0,0,0|3,0,0]=4 340 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 F6994 [0,1,0,0,0,0|2,0,1]=4 341 B12R1.56 COC1=C(F)C=CC([C@@H](C)N)=C1 F52153 [0,1,0,0,0,0|1,0,0]=2 342 B12R1.56 COC1=C(F)C=CC([C@H](C)N)=C1 F52156 [0,1,0,0,0,0|1,0,0]=2 343 B12R1.56 COC1=C(F)C=CC([N+](=O)[O-])=C1 F45449 [0,1,0,0,0,0|3,0,0]=4 344 B12R1.56 COC1=C(I)C=CC(C(C)C)=C1 K53021 [0,1,0,0,0,0|1,0,0]=2 345 B12R1.56 COC1=C(I)C=CC([N+](=O)[O-])=C1 K45455 [0,1,0,0,0,0|3,0,0]=4 346 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 H46448 [0,1,0,0,0,0|2,0,0]=3 347 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 M45855 [0,1,0,0,0,0|2,0,0]=3 348 B12R1.78 C=CC1=CC(OC)=C(OC)C=C1 D52795 [0,1,0,0,0,0|0,0,2]=3 349 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 E53088 [0,1,0,0,0,0|0,0,0]=1 350 B12R1.78 COC1=C(C=O)C=CC(C#N)=C1 F51180 [0,1,0,0,0,0|1,0,2]=4 351 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 D60501 [0,1,0,0,0,0|1,0,1]=3 352 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 V69274 [0,1,0,0,0,0|1,0,1]=3 353 B12R1.78 COC1=C(OC)C=C(CBr)C=C1 B38021 [0,1,0,0,0,0|1,0,0]=2 354 B12R1.78 COC1=C(OC)C=C(NN)C=C1 D67774 [0,1,0,0,0,0|2,0,0]=3 355 B12R1.78 COC1=CC(C#N)=C(OC)C=C1 D51773 [0,1,0,0,0,0|3,0,0]=4 356 B12R1.78 COC1=CC(C=O)=C(OC)C=C1 D39536 [0,1,0,0,0,0|3,0,0]=4 357 B12R1.78 COC1=CC(OC)=C(C#N)N=C1 D63291 [0,1,0,0,0,0|3,0,0]=4 358 B12R1.78 COC1=CC(OC)=C(CN)C=C1 D37838 [0,1,0,0,0,0|2,0,0]=3 359 B12R1.78 COC1=CC=C(CN)N=C1OC D29503 [0,1,0,0,0,0|2,0,0]=3 360 B12R1.78 COC1=NC(OC)=C(C=O)C=C1 F2597 [0,1,0,0,0,0|2,0,1]=4 361 B12R1.270 CCOC1=C(Br)C=CC(C=O)=C1 B51879 [0,1,0,0,0,0|2,0,1]=4 362 B12R1.270 CCOC1=C(O)C=CC(C#N)=C1 E69849 [0,1,0,0,0,0|1,0,1]=3 363 B12R1.270 COC1=CC(CCO)=C(Br)C=C1 B50123 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.286 CCOC1=CC(C=O)=C(Br)C=C1 B51876 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.286 COC1=C(C)C=CC(CC#N)=C1 M52551 [0,1,0,0,0,0|1,0,1]=3 366 B12R1.286 COC1=C(Cl)C=CC(CC#N)=C1 C51530 [0,1,0,0,0,0|1,0,1]=3 367 B12R1.286 O=CC1=C(Cl)C=CC(CCO)=C1 C63114 [0,1,0,0,0,0|3,0,0]=4 368 B12R1.300 COC1=C(O)C(C)=CC(C#N)=C1 H15564 [0,1,0,0,0,0|1,0,1]=3 369 B12R1.300 COC1=C(O)C(O)=CC(C=O)=C1 D61559 [0,1,0,0,0,0|1,0,1]=3 370 B12R1.300 COC1=CC(C=O)=CC(Br)=C1O B67398 [0,1,0,0,0,0|1,0,1]=3 371 B12R1.300 COC1=CC(C=O)=CC(F)=C1O F48688 [0,1,0,0,0,0|1,0,1]=3 372 B12R1.300 COC1=CC(Cl)=C(N)C(OC)=C1 C46780 [0,1,0,0,0,0|2,0,0]=3 373 B12R1.300 COC1=CC(OC)=C(Cl)C(N)=C1 C46779 [0,1,0,0,0,0|2,0,0]=3 374 B12R1.449 COC1=C(Br)C=C(F)C(C=O)=C1 B62798 [0,1,0,0,0,0|2,0,1]=4 375 B12R1.449 COC1=CC(C#N)=C(F)C=C1N A48375 [0,1,0,0,0,0|2,0,1]=4 376 B12R1.449 COC1=CC(C=O)=C(Br)C=C1F B63346 [0,1,0,0,0,0|2,0,1]=4 377 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O B48649 [0,1,0,0,0,0|1,0,1]=3 378 B12R1.449 COC1=CC(OC)=C(Br)C=C1Br D49081 [0,1,0,0,0,0|2,0,0]=3 379 B12R1.453 CC(=O)C1=C(O)C=CC(C#N)=C1 A51163 [0,1,0,0,0,0|2,0,1]=4 380 B12R1.453 CCC1=CC(C(=O)O)=C(N)C=C1 A50037 [0,1,0,0,0,0|3,0,0]=4 381 B12R1.453 COC1=CC(C(C)=O)=C(Br)C=C1 B51903 [0,1,0,0,0,0|3,0,0]=4 382 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 H49921 [0,1,0,0,0,0|2,0,0]=3 383 B12R1.453 COC1=CC([N+](=O)[O-])=C(O)C=C1 M45857 [0,1,0,0,0,0|3,0,0]=4 384 B12R1.453 O=[N+]([O-])C1=C(O)C=CC(CO)=C1 H45863 [0,1,0,0,0,0|3,0,0]=4 385 B12R1.654 CCC1=C(N)C(CC)=C(Cl)C=C1 C53067 [0,1,0,0,0,0|2,0,0]=3 386 B12R1.654 COC1=C(C)C(CBr)=NC=C1C B50257 [0,1,0,0,0,0|3,0,0]=4 387 B12R1.654 COC1=C(C)C(CCl)=NC=C1C C14799 [0,1,0,0,0,0|3,0,0]=4 388 B12R1.654 COC1=C(C)C(CO)=NC=C1C D14800 [0,1,0,0,0,0|3,0,0]=4 389 B12R1.654 COC1=C(Cl)C(C=O)=CC=C1O C64134 [0,1,0,0,0,0|1,0,1]=3 390 B12R2.44 C#CC1=CC2=C(C=C1)OCO2 E50963 [0,0,0,1,0,0|0,0,2]=3 391 B12R2.44 COC1=CC2=C(C=C1)CCN2 M52102 [0,0,0,1,0,0|3,0,0]=4 392 B12R2.44 COC1=CC2=C(C=C1)NCC2 M22375 [0,0,0,1,0,0|3,0,0]=4 393 B12R2.44 COC1=CC2=C(C=C1)NCC2 M52101 [0,0,0,1,0,0|3,0,0]=4 394 B12R2.44 COC1=CC2=C(C=CO2)C=C1 M51550 [0,0,0,1,0,0|2,0,1]=4 395 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 M47716 [0,0,0,1,0,0|1,0,1]=3 396 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 D51558 [0,0,0,1,0,0|2,0,1]=4 397 B12R2.44 OCC1=CC2=C(C=C1)CCO2 D37247 [0,0,0,1,0,0|2,0,0]=3 398 B12R2.44 OCC1=CC2=C(C=C1)OCC2 D65568 [0,0,0,1,0,0|2,0,0]=3 399 B9R1.2 BrCC1=CC=CC(Br)=C1 B39369 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.2 BrCC1=CC=CC(I)=C1 B45170 [2,0,0,0,0,0|2,0,0]=4 401 B9R1.2 C#CC1=CC(C)=CC=C1 E51331 [2,0,0,0,0,0|0,0,2]=4 402 B9R1.2 C#CC1=CC=CC(O)=C1 E37627 [2,0,0,0,0,0|0,0,2]=4 403 B9R1.2 CC1=CC(CCl)=CN=C1 C46109 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.2 CC1=CC(CCl)=NC=C1 C46106 [2,0,0,0,0,0|2,0,0]=4 405 B9R1.2 CC1=CC(CN)=NC=C1 A62602 [2,0,0,0,0,0|2,0,0]=4 406 B9R1.2 CC1=CC(CN)=NC=C1 M46587 [2,0,0,0,0,0|2,0,0]=4 407 B9R1.2 CC1=CC(CO)=CN=C1 H10516 [2,0,0,0,0,0|2,0,0]=4 408 B9R1.2 CC1=CC(CO)=NC=C1 M46387 [2,0,0,0,0,0|2,0,0]=4 409 B9R1.2 CC1=CC=CC(CBr)=N1 B46087 [2,0,0,0,0,0|2,0,0]=4 410 B9R1.2 CC1=CC=CC(CCl)=N1 C46103 [2,0,0,0,0,0|2,0,0]=4 411 B9R1.2 CC1=CC=CC(CN)=C1 M37355 [2,0,0,0,0,0|1,0,0]=3 412 B9R1.2 CC1=CC=CC(CN)=N1 M24786 [2,0,0,0,0,0|2,0,0]=4 413 B9R1.2 CC1=CC=CC(CN)=N1 M63579 [2,0,0,0,0,0|2,0,0]=4 414 B9R1.2 CC1=CC=CC(CO)=N1 M46384 [2,0,0,0,0,0|2,0,0]=4 415 B9R1.2 CC1=CC=CC(NN)=C1 M46458 [2,0,0,0,0,0|2,0,0]=4 416 B9R1.2 CC1=NC=CC(CBr)=C1 B37231 [2,0,0,0,0,0|2,0,0]=4 417 B9R1.2 CC1=NC=CC(CN)=C1 M46586 [2,0,0,0,0,0|2,0,0]=4 418 B9R1.2 CC1=NC=CC(CO)=C1 M4019 [2,0,0,0,0,0|2,0,0]=4 419 B9R1.2 CCC1=CC(Br)=CN=C1 B46076 [2,0,0,0,0,0|2,0,0]=4 420 B9R1.2 CCC1=CC(N)=NC=C1 E4696 [2,0,0,0,0,0|2,0,0]=4 421 B9R1.2 CCC1=CC=CC(Br)=C1 B49158 [2,0,0,0,0,0|1,0,0]=3 422 B9R1.2 CCC1=CC=CC(Br)=N1 B46074 [2,0,0,0,0,0|2,0,0]=4 423 B9R1.2 CCC1=CC=CC(N)=C1 E68361 [2,0,0,0,0,0|1,0,0]=3 424 B9R1.2 CCC1=CC=CC(N)=N1 E43601 [2,0,0,0,0,0|2,0,0]=4 425 B9R1.2 CCC1=CC=CC([Mg+])=C1 E31740 [2,0,0,0,0,0|1,0,0]=3 426 B9R1.2 CCC1=CN=CC(N)=C1 E37485 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.2 CCC1=NC=CC(Br)=C1 B46078 [2,0,0,0,0,0|2,0,0]=4 428 B9R1.2 CCC1=NC=CC(N)=C1 A15478 [2,0,0,0,0,0|2,0,0]=4 429 B9R1.2 CNC1=CC(C)=CC=C1 D46861 [2,0,0,0,0,0|1,0,0]=3 430 B9R1.2 CNC1=CC=CC(Br)=C1 B46077 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.2 CNC1=CC=CC(Br)=C1 B66504 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.2 CNC1=NC(C)=CC=C1 D43615 [2,0,0,0,0,0|2,0,0]=4 433 B9R1.2 COC1=CC(=O)NC=C1 M43139 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.2 COC1=CC(Br)=CN=C1 B2876 [2,0,0,0,0,0|2,0,0]=4 435 B9R1.2 COC1=CC(Br)=NC=C1 B9053 [2,0,0,0,0,0|2,0,0]=4 436 B9R1.2 COC1=CC(C)=NC=C1 M22575 [2,0,0,0,0,0|1,0,0]=3 437 B9R1.2 COC1=CC(Cl)=NC=C1 C5269 [2,0,0,0,0,0|2,0,0]=4 438 B9R1.2 COC1=CC(F)=NC=C1 F21874 [2,0,0,0,0,0|2,0,0]=4 439 B9R1.2 COC1=CC(N)=NC=C1 A43189 [2,0,0,0,0,0|2,0,0]=4 440 B9R1.2 COC1=CC(O)=CC=C1 M27960 [2,0,0,0,0,0|1,0,0]=3 441 B9R1.2 COC1=CC=CC(Br)=N1 B2785 [2,0,0,0,0,0|2,0,0]=4 442 B9R1.2 COC1=CC=CC(Cl)=N1 C39269 [2,0,0,0,0,0|2,0,0]=4 443 B9R1.2 COC1=CC=CC(F)=C1 F45965 [2,0,0,0,0,0|1,0,0]=3 444 B9R1.2 COC1=CC=CC(F)=N1 F67375 [2,0,0,0,0,0|2,0,0]=4 445 B9R1.2 COC1=CC=CC(I)=C1 K45966 [2,0,0,0,0,0|1,0,0]=3 446 B9R1.2 COC1=CC=CC(I)=N1 K42932 [2,0,0,0,0,0|2,0,0]=4 447 B9R1.2 COC1=CC=CC([Mg+])=C1 M31743 [2,0,0,0,0,0|1,0,0]=3 448 B9R1.2 COC1=CN=CC(N)=C1 A14114 [2,0,0,0,0,0|2,0,0]=4 449 B9R1.2 COC1=CN=CC(N)=C1 A7930 [2,0,0,0,0,0|2,0,0]=4 450 B9R1.2 COC1=CN=CC(O)=C1 M43136 [2,0,0,0,0,0|2,0,0]=4 451 B9R1.2 COC1=NC(C)=CC=C1 M46380 [2,0,0,0,0,0|1,0,0]=3 452 B9R1.2 COC1=NC(C)=CC=N1 M43202 [2,0,0,0,0,0|2,0,0]=4 453 B9R1.2 COC1=NC(C)=NC=C1 M43205 [2,0,0,0,0,0|2,0,0]=4 454 B9R1.2 COC1=NC(N)=CC=C1 A43190 [2,0,0,0,0,0|2,0,0]=4 455 B9R1.2 COC1=NC=CC(Br)=C1 B3113 [2,0,0,0,0,0|2,0,0]=4 456 B9R1.2 COC1=NC=CC(C)=C1 M46379 [2,0,0,0,0,0|1,0,0]=3 457 B9R1.2 COC1=NC=CC(Cl)=C1 C42902 [2,0,0,0,0,0|2,0,0]=4 458 B9R1.2 COC1=NC=CC(F)=C1 F42927 [2,0,0,0,0,0|2,0,0]=4 459 B9R1.2 COC1=NC=CC(I)=C1 K60534 [2,0,0,0,0,0|2,0,0]=4 460 B9R1.2 COC1=NC=CC(N)=C1 M3947 [2,0,0,0,0,0|2,0,0]=4 461 B9R1.2 COC1=NC=CC(O)=C1 M38428 [2,0,0,0,0,0|2,0,0]=4 462 B9R1.2 COC1=NC=NC(C)=C1 M43206 [2,0,0,0,0,0|2,0,0]=4 463 B9R1.2 CSC1=CC(N)=CC=C1 M46442 [2,0,0,0,0,0|1,1,0]=4 464 B9R1.2 CSC1=CC=CC(Br)=C1 B45613 [2,0,0,0,0,0|1,1,0]=4 465 B9R1.2 ClC1=CC=CC(CBr)=C1 B39371 [2,0,0,0,0,0|2,0,0]=4 466 B9R1.2 ClCC1=CC=CC(Br)=C1 B45159 [2,0,0,0,0,0|2,0,0]=4 467 B9R1.2 ClCC1=CC=CC(I)=C1 C45183 [2,0,0,0,0,0|2,0,0]=4 468 B9R1.2 FC1=CC=CC(CBr)=C1 B45165 [2,0,0,0,0,0|2,0,0]=4 469 B9R1.2 N#CC1=CC=CC(O)=C1 H64947 [2,0,0,0,0,0|1,0,1]=4 470 B9R1.2 NC1=CC=CC(CO)=C1 A37868 [2,0,0,0,0,0|2,0,0]=4 471 B9R1.2 NCC1=CC=CC(Br)=C1 B46079 [2,0,0,0,0,0|2,0,0]=4 472 B9R1.2 NCC1=CC=CC(Cl)=C1 C46098 [2,0,0,0,0,0|2,0,0]=4 473 B9R1.2 NCC1=CC=CC(F)=C1 F15968 [2,0,0,0,0,0|2,0,0]=4 474 B9R1.2 NCC1=CC=CC(I)=C1 K46122 [2,0,0,0,0,0|2,0,0]=4 475 B9R1.2 NCC1=CC=CC(N)=C1 A43599 [2,0,0,0,0,0|2,0,0]=4 476 B9R1.2 O=CC1=CC(O)=CC=C1 H15969 [2,0,0,0,0,0|1,0,1]=4 477 B9R1.2 OC1=CC=CC(CBr)=C1 B38962 [2,0,0,0,0,0|1,0,0]=3 478 B9R1.2 OCC1=CC(O)=CN=C1 H39124 [2,0,0,0,0,0|2,0,0]=4 479 B9R1.2 OCC1=CC=CC(Cl)=C1 C39405 [2,0,0,0,0,0|2,0,0]=4 480 B9R1.2 OCC1=CC=CC(F)=C1 F39408 [2,0,0,0,0,0|2,0,0]=4 481 B9R1.2 OCC1=CC=CC(I)=C1 H61971 [2,0,0,0,0,0|2,0,0]=4 482 B9R1.15 C#CC1=C(O)C=CC=C1 E48112 [2,0,0,0,0,0|1,0,1]=4 483 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [2,0,0,0,0,0|2,0,0]=4 484 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [2,0,0,0,0,0|2,0,0]=4 485 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [2,0,0,0,0,0|2,0,0]=4 486 B9R1.15 CNC1=C(Br)C=CC=C1 B46075 [2,0,0,0,0,0|2,0,0]=4 487 B9R1.15 CNC1=C(C)C=CC=C1 D46860 [2,0,0,0,0,0|2,0,0]=4 488 B9R1.15 CNC1=C(Cl)C=CC=C1 C46094 [2,0,0,0,0,0|2,0,0]=4 489 B9R1.15 CNC1=C(F)C=CC=C1 M39414 [2,0,0,0,0,0|2,0,0]=4 490 B9R1.15 CNC1=C(N)C=CC=C1 M43618 [2,0,0,0,0,0|2,0,0]=4 491 B9R1.15 CNC1=C(N)C=CC=C1 M68814 [2,0,0,0,0,0|2,0,0]=4 492 B9R1.15 CNC1=C(O)C=CC=C1 M64657 [2,0,0,0,0,0|1,0,0]=3 493 B9R1.15 COC1=C(Br)C=CC=C1 B67901 [2,0,0,0,0,0|1,0,0]=3 494 B9R1.15 COC1=C(Br)C=CC=N1 B12855 [2,0,0,0,0,0|2,0,0]=4 495 B9R1.15 COC1=C(Br)C=CN=C1 B61080 [2,0,0,0,0,0|2,0,0]=4 496 B9R1.15 COC1=C(Br)C=NC=C1 B9421 [2,0,0,0,0,0|2,0,0]=4 497 B9R1.15 COC1=C(Cl)C=CC=N1 C42900 [2,0,0,0,0,0|2,0,0]=4 498 B9R1.15 COC1=C(Cl)C=NC=C1 C42901 [2,0,0,0,0,0|2,0,0]=4 499 B9R1.15 COC1=C(F)C=CC=N1 F42926 [2,0,0,0,0,0|2,0,0]=4 500 B9R1.15 COC1=C(I)C=CC=C1 K68160 [2,0,0,0,0,0|1,0,0]=3 501 B9R1.15 COC1=C(I)C=CC=N1 K42933 [2,0,0,0,0,0|2,0,0]=4 502 B9R1.15 COC1=C(I)C=NC=C1 K42934 [2,0,0,0,0,0|2,0,0]=4 503 B9R1.15 COC1=C(N)C=NC=C1 A43191 [2,0,0,0,0,0|2,0,0]=4 504 B9R1.15 COC1=C(N)N=CC=C1 A69248 [2,0,0,0,0,0|2,0,0]=4 505 B9R1.15 COC1=C([Mg+])C=CC=C1 M31742 [2,0,0,0,0,0|1,0,0]=3 506 B9R1.15 COC1=CC=CN=C1Br B4536 [2,0,0,0,0,0|2,0,0]=4 507 B9R1.15 COC1=CC=CN=C1Cl C24085 [2,0,0,0,0,0|2,0,0]=4 508 B9R1.15 COC1=CC=CN=C1F F42924 [2,0,0,0,0,0|2,0,0]=4 509 B9R1.15 COC1=CC=CN=C1I K62151 [2,0,0,0,0,0|2,0,0]=4 510 B9R1.15 COC1=NC=CC=C1C M46378 [2,0,0,0,0,0|2,0,0]=4 511 B9R1.15 COC1=NC=CC=C1N A12743 [2,0,0,0,0,0|2,0,0]=4 512 B9R1.15 CSC1=C([Mg+])C=CC=C1 M31770 [2,0,0,0,0,0|1,1,0]=4 513 B9R1.15 N#CC1=C(O)C=CC=C1 H68602 [2,0,0,0,0,0|2,0,0]=4 514 B9R1.15 NCC1=C(O)C=CC=C1 A38718 [2,0,0,0,0,0|2,0,0]=4 515 B9R1.15 NCC1=C(O)C=CC=C1 A46574 [2,0,0,0,0,0|2,0,0]=4 516 B9R1.69 CC1=C(Br)C=CC(Br)=C1 D39368 [2,0,0,0,0,0|2,0,0]=4 517 B9R1.69 CC1=C(Br)C=CC(Cl)=C1 B9485 [2,0,0,0,0,0|2,0,0]=4 518 B9R1.69 CC1=C(Br)C=CC(F)=C1 B45168 [2,0,0,0,0,0|2,0,0]=4 519 B9R1.69 CC1=C(Br)C=CC(I)=C1 B45173 [2,0,0,0,0,0|2,0,0]=4 520 B9R1.69 CC1=C(Br)C=CC(N)=C1 B61976 [2,0,0,0,0,0|2,0,0]=4 521 B9R1.69 CC1=C(Br)C=CC(N)=C1 B67860 [2,0,0,0,0,0|2,0,0]=4 522 B9R1.69 CC1=C(Br)C=CC(O)=C1 B39404 [2,0,0,0,0,0|2,0,0]=4 523 B9R1.69 CC1=C(C)C=C(F)C=C1 F49166 [2,0,0,0,0,0|2,0,0]=4 524 B9R1.69 CC1=C(C)C=C(I)C=C1 K49170 [2,0,0,0,0,0|2,0,0]=4 525 B9R1.69 CC1=C(C)C=C([Mg+])C=C1 D31727 [2,0,0,0,0,0|2,0,0]=4 526 B9R1.69 CC1=C(Cl)C=CC(Br)=C1 B45163 [2,0,0,0,0,0|2,0,0]=4 527 B9R1.69 CC1=C(Cl)C=CC(I)=C1 C45179 [2,0,0,0,0,0|2,0,0]=4 528 B9R1.69 CC1=C(Cl)C=CC(N)=C1 C25031 [2,0,0,0,0,0|2,0,0]=4 529 B9R1.69 CC1=C(Cl)C=CC([Mg+])=C1 C31776 [2,0,0,0,0,0|2,0,0]=4 530 B9R1.69 CC1=C(F)C=CC(Cl)=C1 C45178 [2,0,0,0,0,0|2,0,0]=4 531 B9R1.69 CC1=C(F)C=CC(F)=C1 D45185 [2,0,0,0,0,0|2,0,0]=4 532 B9R1.69 CC1=C(F)C=CC(I)=C1 F39375 [2,0,0,0,0,0|2,0,0]=4 533 B9R1.69 CC1=C(F)C=CC(N)=C1 F39413 [2,0,0,0,0,0|2,0,0]=4 534 B9R1.69 CC1=C(F)C=CC(O)=C1 F45963 [2,0,0,0,0,0|2,0,0]=4 535 B9R1.69 CC1=C(F)C=CC([Mg+])=C1 F31747 [2,0,0,0,0,0|2,0,0]=4 536 B9R1.69 CC1=C(I)C=CC(Br)=C1 B39374 [2,0,0,0,0,0|2,0,0]=4 537 B9R1.69 CC1=C(I)C=CC(Cl)=C1 C45182 [2,0,0,0,0,0|2,0,0]=4 538 B9R1.69 CC1=C(I)C=CC(F)=C1 F39376 [2,0,0,0,0,0|2,0,0]=4 539 B9R1.69 CC1=C(I)C=CC(O)=C1 K45969 [2,0,0,0,0,0|2,0,0]=4 540 B9R1.69 CC1=C(N)C=CC(F)=C1 F68357 [2,0,0,0,0,0|2,0,0]=4 541 B9R1.69 CC1=C(N)C=CC(I)=C1 K46119 [2,0,0,0,0,0|2,0,0]=4 542 B9R1.69 CC1=C(N)C=CC(O)=C1 A39417 [2,0,0,0,0,0|2,0,0]=4 543 B9R1.69 CC1=C(O)C=C(Br)C=C1 B45951 [2,0,0,0,0,0|2,0,0]=4 544 B9R1.69 CC1=C(O)C=C(F)C=C1 F45964 [2,0,0,0,0,0|2,0,0]=4 545 B9R1.69 CC1=C(O)C=C(O)C=C1 M28674 [2,0,0,0,0,0|2,0,0]=4 546 B9R1.69 CC1=C(O)C=CC(Br)=C1 B45950 [2,0,0,0,0,0|1,0,0]=3 547 B9R1.69 CC1=C(O)C=CC(Br)=N1 B42888 [2,0,0,0,0,0|2,0,0]=4 548 B9R1.69 CC1=C(O)C=CC(Cl)=N1 C42909 [2,0,0,0,0,0|2,0,0]=4 549 B9R1.69 CC1=C(O)C=CC(F)=C1 F45962 [2,0,0,0,0,0|1,0,0]=3 550 B9R1.69 CC1=C(O)C=CC(I)=C1 K45968 [2,0,0,0,0,0|1,0,0]=3 551 B9R1.69 CC1=C(O)C=CC(N)=C1 A46374 [2,0,0,0,0,0|1,0,0]=3 552 B9R1.69 CC1=C([Mg+])C=CC(Cl)=C1 C31775 [2,0,0,0,0,0|2,0,0]=4 553 B9R1.69 CC1=C([Mg+])C=CC(F)=C1 F31746 [2,0,0,0,0,0|2,0,0]=4 554 B9R1.69 CC1=CC(Br)=C(Br)C=C1 D45154 [2,0,0,0,0,0|2,0,0]=4 555 B9R1.69 CC1=CC(Br)=C(C)C=C1 D39511 [2,0,0,0,0,0|2,0,0]=4 556 B9R1.69 CC1=CC(Br)=C(Cl)C=C1 B45156 [2,0,0,0,0,0|2,0,0]=4 557 B9R1.69 CC1=CC(Br)=C(I)C=C1 B45175 [2,0,0,0,0,0|2,0,0]=4 558 B9R1.69 CC1=CC(Br)=C(O)C=C1 B39403 [2,0,0,0,0,0|1,0,0]=3 559 B9R1.69 CC1=CC(Br)=C(O)C=N1 B42884 [2,0,0,0,0,0|2,0,0]=4 560 B9R1.69 CC1=CC(Br)=C(O)N=C1 B21801 [2,0,0,0,0,0|2,0,0]=4 561 B9R1.69 CC1=CC(C)=C(Br)C=C1 D39510 [2,0,0,0,0,0|1,0,0]=3 562 B9R1.69 CC1=CC(C)=C(Br)C=N1 B46086 [2,0,0,0,0,0|2,0,0]=4 563 B9R1.69 CC1=CC(C)=C([Mg+])C=C1 D31735 [2,0,0,0,0,0|1,0,0]=3 564 B9R1.69 CC1=CC(Cl)=C(Br)C=C1 B67676 [2,0,0,0,0,0|2,0,0]=4 565 B9R1.69 CC1=CC(Cl)=C(I)C=C1 C62467 [2,0,0,0,0,0|2,0,0]=4 566 B9R1.69 CC1=CC(Cl)=C(N)C=C1 C69100 [2,0,0,0,0,0|2,0,0]=4 567 B9R1.69 CC1=CC(Cl)=C(O)C=C1 C38476 [2,0,0,0,0,0|1,0,0]=3 568 B9R1.69 CC1=CC(Cl)=CN=C1O C42905 [2,0,0,0,0,0|2,0,0]=4 569 B9R1.69 CC1=CC(F)=C(Br)C=C1 B39373 [2,0,0,0,0,0|2,0,0]=4 570 B9R1.69 CC1=CC(F)=C(C)C=C1 F49165 [2,0,0,0,0,0|2,0,0]=4 571 B9R1.69 CC1=CC(F)=C(Cl)C=C1 C45177 [2,0,0,0,0,0|2,0,0]=4 572 B9R1.69 CC1=CC(F)=C(F)C=C1 D45188 [2,0,0,0,0,0|2,0,0]=4 573 B9R1.69 CC1=CC(F)=C(I)C=C1 F45193 [2,0,0,0,0,0|2,0,0]=4 574 B9R1.69 CC1=CC(F)=C(O)C=C1 F45958 [2,0,0,0,0,0|1,0,0]=3 575 B9R1.69 CC1=CC(F)=NC=C1O F42929 [2,0,0,0,0,0|2,0,0]=4 576 B9R1.69 CC1=CC(I)=C(Br)C=C1 B38445 [2,0,0,0,0,0|2,0,0]=4 577 B9R1.69 CC1=CC(I)=C(F)C=C1 F45191 [2,0,0,0,0,0|2,0,0]=4 578 B9R1.69 CC1=CC(I)=C(N)C=C1 K46116 [2,0,0,0,0,0|2,0,0]=4 579 B9R1.69 CC1=CC(I)=C(O)C=C1 K60967 [2,0,0,0,0,0|1,0,0]=3 580 B9R1.69 CC1=CC(I)=CN=C1O K42936 [2,0,0,0,0,0|2,0,0]=4 581 B9R1.69 CC1=CC(N)=C(Br)C=C1 B39410 [2,0,0,0,0,0|2,0,0]=4 582 B9R1.69 CC1=CC(N)=C(Cl)C=C1 C46092 [2,0,0,0,0,0|2,0,0]=4 583 B9R1.69 CC1=CC(N)=C(F)C=C1 A23738 [2,0,0,0,0,0|2,0,0]=4 584 B9R1.69 CC1=CC(N)=C(I)C=C1 K46117 [2,0,0,0,0,0|2,0,0]=4 585 B9R1.69 CC1=CC(N)=C(N)C=C1 D68596 [2,0,0,0,0,0|2,0,0]=4 586 B9R1.69 CC1=CC(O)=C(Br)C=C1 B36626 [2,0,0,0,0,0|1,0,0]=3 587 B9R1.69 CC1=CC(O)=C(Br)C=N1 B42886 [2,0,0,0,0,0|2,0,0]=4 588 B9R1.69 CC1=CC(O)=C(F)C=C1 F45959 [2,0,0,0,0,0|1,0,0]=3 589 B9R1.69 CC1=CC(O)=C(N)C=C1 A68595 [2,0,0,0,0,0|1,0,0]=3 590 B9R1.69 CC1=CC([Mg+])=C(C)C=C1 D31736 [2,0,0,0,0,0|2,0,0]=4 591 B9R1.69 CC1=CC=C(N)C(C)=N1 D43608 [2,0,0,0,0,0|2,0,0]=4 592 B9R1.69 CC1=CC=C(O)C(Br)=N1 B1020 [2,0,0,0,0,0|2,0,0]=4 593 B9R1.69 CC1=CC=C(O)C(F)=N1 F42928 [2,0,0,0,0,0|2,0,0]=4 594 B9R1.69 CC1=CC=C(O)C(I)=N1 H37772 [2,0,0,0,0,0|2,0,0]=4 595 B9R1.69 CC1=CN=C(Br)C(C)=C1 B46080 [2,0,0,0,0,0|2,0,0]=4 596 B9R1.69 CC1=CN=C(C)C(C)=C1 T39433 [2,0,0,0,0,0|2,0,0]=4 597 B9R1.69 CC1=CN=C(Cl)C(O)=C1 C42904 [2,0,0,0,0,0|2,0,0]=4 598 B9R1.69 CC1=CN=C(N)C(C)=C1 D43610 [2,0,0,0,0,0|2,0,0]=4 599 B9R1.69 CC1=NC(C)=C(Br)C=C1 B46082 [2,0,0,0,0,0|2,0,0]=4 600 B9R1.69 CC1=NC(C)=C(O)C=C1 D67987 [2,0,0,0,0,0|1,0,0]=3 601 B9R1.69 CC1=NC(C)=C(O)C=N1 D43192 [2,0,0,0,0,0|2,0,0]=4 602 B9R1.69 CC1=NC(N)=C(O)C=C1 A43201 [2,0,0,0,0,0|2,0,0]=4 603 B9R1.69 CC1=NC(O)=C(Br)C=C1 B42882 [2,0,0,0,0,0|2,0,0]=4 604 B9R1.69 CN1C=CC(=O)C(O)=C1 H43144 [2,0,0,0,0,0|1,0,1]=4 605 B9R1.69 NC1=C(O)C=C(Br)C=C1 A36609 [2,0,0,0,0,0|2,0,0]=4 606 B9R1.69 NC1=C(O)C=C(Cl)C=C1 A69179 [2,0,0,0,0,0|2,0,0]=4 607 B9R1.69 NC1=C(O)C=C(F)C=C1 A42919 [2,0,0,0,0,0|2,0,0]=4 608 B9R1.69 NC1=C(O)C=C(O)C=C1 A43536 [2,0,0,0,0,0|2,0,0]=4 609 B9R1.69 NC1=C(O)C=CC(Br)=C1 A42876 [2,0,0,0,0,0|2,0,0]=4 610 B9R1.69 NC1=C(O)C=CC(F)=C1 A42918 [2,0,0,0,0,0|2,0,0]=4 611 B9R1.69 NC1=C(O)C=CC(O)=C1 A36668 [2,0,0,0,0,0|2,0,0]=4 612 B9R1.69 NC1=C(O)C=CC(O)=C1 A43535 [2,0,0,0,0,0|2,0,0]=4 613 B9R1.69 NC1=CC(Br)=C(O)C=C1 A42878 [2,0,0,0,0,0|2,0,0]=4 614 B9R1.69 NC1=CC(Cl)=C(O)C=C1 A69219 [2,0,0,0,0,0|2,0,0]=4 615 B9R1.69 NC1=CC(F)=C(O)C=C1 A42921 [2,0,0,0,0,0|2,0,0]=4 616 B9R1.69 NC1=CC(F)=C(O)C=C1 A63986 [2,0,0,0,0,0|2,0,0]=4 617 B9R1.69 NC1=CC(O)=C(Cl)C=C1 C42897 [2,0,0,0,0,0|2,0,0]=4 618 B9R1.69 NC1=CC(O)=C(O)C=C1 A43430 [2,0,0,0,0,0|1,0,0]=3 619 B9R1.69 OC1=C(Br)C=C(Cl)C=C1 B39249 [2,0,0,0,0,0|2,0,0]=4 620 B9R1.69 OC1=C(Br)C=C(F)C=C1 B39250 [2,0,0,0,0,0|2,0,0]=4 621 B9R1.69 OC1=C(Br)C=CC(Br)=C1 D9405 [2,0,0,0,0,0|2,0,0]=4 622 B9R1.69 OC1=C(Br)C=CC(Cl)=C1 B32295 [2,0,0,0,0,0|2,0,0]=4 623 B9R1.69 OC1=C(Br)C=CC(F)=C1 B42343 [2,0,0,0,0,0|2,0,0]=4 624 B9R1.69 OC1=C(Br)C=CC(I)=C1 B42348 [2,0,0,0,0,0|2,0,0]=4 625 B9R1.69 OC1=C(Cl)C=C(Br)C=C1 B67874 [2,0,0,0,0,0|2,0,0]=4 626 B9R1.69 OC1=C(Cl)C=C(F)C=C1 C39252 [2,0,0,0,0,0|2,0,0]=4 627 B9R1.69 OC1=C(Cl)C=C(I)C=C1 C42359 [2,0,0,0,0,0|2,0,0]=4 628 B9R1.69 OC1=C(Cl)C=CC(Br)=C1 B67837 [2,0,0,0,0,0|2,0,0]=4 629 B9R1.69 OC1=C(Cl)C=CC(F)=C1 C42353 [2,0,0,0,0,0|2,0,0]=4 630 B9R1.69 OC1=C(Cl)C=CC(I)=C1 C36714 [2,0,0,0,0,0|2,0,0]=4 631 B9R1.69 OC1=C(F)C=C(Br)C=C1 B39251 [2,0,0,0,0,0|2,0,0]=4 632 B9R1.69 OC1=C(F)C=C(Cl)C=C1 C42357 [2,0,0,0,0,0|2,0,0]=4 633 B9R1.69 OC1=C(F)C=C(F)C=C1 D39253 [2,0,0,0,0,0|2,0,0]=4 634 B9R1.69 OC1=C(F)C=C(I)C=C1 F42367 [2,0,0,0,0,0|2,0,0]=4 635 B9R1.69 OC1=C(F)C=CC(Br)=C1 B42347 [2,0,0,0,0,0|2,0,0]=4 636 B9R1.69 OC1=C(F)C=CC(Cl)=C1 C42358 [2,0,0,0,0,0|2,0,0]=4 637 B9R1.69 OC1=C(F)C=CC(F)=C1 D42364 [2,0,0,0,0,0|2,0,0]=4 638 B9R1.69 OC1=C(F)C=CC(I)=C1 F36767 [2,0,0,0,0,0|2,0,0]=4 639 B9R1.69 OC1=C(I)C=C(Br)C=C1 B42351 [2,0,0,0,0,0|2,0,0]=4 640 B9R1.69 OC1=C(I)C=C(Cl)C=C1 C38571 [2,0,0,0,0,0|2,0,0]=4 641 B9R1.69 OC1=C(I)C=C(F)C=C1 F42370 [2,0,0,0,0,0|2,0,0]=4 642 B9R1.69 OC1=C(I)C=CC(Br)=C1 B28730 [2,0,0,0,0,0|2,0,0]=4 643 B9R1.69 OC1=C(I)C=CC(Cl)=C1 C42363 [2,0,0,0,0,0|2,0,0]=4 644 B9R1.69 OC1=C(O)C=C(Br)C=C1 B67979 [2,0,0,0,0,0|1,0,0]=3 645 B9R1.69 OC1=CC(Br)=CN=C1O B36779 [2,0,0,0,0,0|2,0,0]=4 646 B9R1.69 OC1=CC(Cl)=CN=C1O C40837 [2,0,0,0,0,0|2,0,0]=4 647 B9R1.69 OC1=CC(O)=C(Br)C=C1 B42694 [2,0,0,0,0,0|2,0,0]=4 648 B9R1.69 OC1=CC(O)=C(Cl)C=C1 C68880 [2,0,0,0,0,0|2,0,0]=4 649 B9R1.69 OC1=CC(O)=C(F)C=C1 F42702 [2,0,0,0,0,0|2,0,0]=4 650 B9R1.69 OC1=CC(O)=C(O)C=C1 B68356 [2,0,0,0,0,0|1,0,0]=3 651 B9R1.1 BrCC1=CC=C(I)C=C1 B45171 [2,0,0,0,0,0|2,0,0]=4 652 B9R1.1 C=CC1=CC=C(O)C=C1 V67697 [2,0,0,0,0,0|0,0,2]=4 653 B9R1.1 CC1=CC=C(CN)C=C1 M69544 [2,0,0,0,0,0|2,0,0]=4 654 B9R1.1 CC1=CC=C(CO)C=C1 T37852 [2,0,0,0,0,0|2,0,0]=4 655 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [2,0,0,0,0,0|1,0,0]=3 656 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [2,0,0,0,0,0|1,0,0]=3 657 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [2,0,0,0,0,0|1,0,0]=3 658 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [2,0,0,0,0,0|1,0,0]=3 659 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [2,0,0,0,0,0|2,0,0]=4 660 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [2,0,0,0,0,0|2,0,0]=4 661 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [2,0,0,0,0,0|2,0,0]=4 662 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [2,0,0,0,0,0|2,0,0]=4 663 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [2,0,0,0,0,0|2,0,0]=4 664 B9R1.1 CNC1=CC=C(Br)C=C1 B61266 [2,0,0,0,0,0|2,0,0]=4 665 B9R1.1 CNC1=CC=C(C)C=C1 D39432 [2,0,0,0,0,0|2,0,0]=4 666 B9R1.1 CNC1=CC=C(I)C=C1 K46120 [2,0,0,0,0,0|2,0,0]=4 667 B9R1.1 CNC1=CC=C(N)C=C1 M69627 [2,0,0,0,0,0|2,0,0]=4 668 B9R1.1 COC1=CC=C(S)C=C1 M46276 [2,0,0,0,0,0|1,1,0]=4 669 B9R1.1 COC1=CC=C([Mg+])C=C1 M31744 [2,0,0,0,0,0|2,0,0]=4 670 B9R1.1 COC1=NC=C(O)C=C1 H43140 [2,0,0,0,0,0|2,0,0]=4 671 B9R1.1 CSC1=CC=C(I)C=C1 I38579 [2,0,0,0,0,0|2,0,0]=4 672 B9R1.1 CSC1=CC=C(O)C=C1 M67393 [2,0,0,0,0,0|1,0,0]=3 673 B9R1.1 CSC1=CC=C([Mg+])C=C1 M31771 [2,0,0,0,0,0|2,0,0]=4 674 B9R1.1 ClC1=CC=C(CBr)C=C1 B45158 [2,0,0,0,0,0|2,0,0]=4 675 B9R1.1 ClCC1=CC=C(Br)C=C1 B45160 [2,0,0,0,0,0|2,0,0]=4 676 B9R1.1 FC1=CC=C(C[Mg+])C=C1 F6777 [2,0,0,0,0,0|2,0,0]=4 677 B9R1.1 N#CC1=CC=C(O)C=C1 C64941 [2,0,0,0,0,0|1,0,1]=4 678 B9R1.1 NC1=CC=C(CO)C=C1 A36619 [2,0,0,0,0,0|2,0,0]=4 679 B9R1.1 NCC1=CC=C(Br)C=C1 B36612 [2,0,0,0,0,0|2,0,0]=4 680 B9R1.1 NCC1=CC=C(Br)C=C1 B46090 [2,0,0,0,0,0|2,0,0]=4 681 B9R1.1 NCC1=CC=C(Cl)C=C1 C46099 [2,0,0,0,0,0|2,0,0]=4 682 B9R1.1 NCC1=CC=C(I)C=C1 I36689 [2,0,0,0,0,0|2,0,0]=4 683 B9R1.1 NCC1=CC=C(I)C=C1 K46123 [2,0,0,0,0,0|2,0,0]=4 684 B9R1.1 NCC1=CC=C(N)C=C1 A46581 [2,0,0,0,0,0|2,0,0]=4 685 B9R1.1 NCC1=CC=C(O)C=C1 A67587 [2,0,0,0,0,0|1,0,0]=3 686 B9R1.1 OCC1=CC=C(Br)C=C1 B67585 [2,0,0,0,0,0|2,0,0]=4 687 B9R1.1 OCC1=CC=C(Cl)C=C1 C39406 [2,0,0,0,0,0|2,0,0]=4 688 B9R1.1 OCC1=CC=C(F)C=C1 F39409 [2,0,0,0,0,0|2,0,0]=4 689 B9R1.1 OCC1=CC=C(I)C=C1 I36662 [2,0,0,0,0,0|2,0,0]=4 690 B11R1.8 COC1=C(C)C(C)=CC(C)=C1 M53084 [1,1,0,0,0,0|1,0,0]=3 691 B11R1.8 COC1=C(O)C(C)=CC(Br)=C1 B0722 [1,1,0,0,0,0|1,0,0]=3 692 B11R1.8 COC1=CC(Br)=CC(F)=C1Cl B45138 [1,1,0,0,0,0|2,0,0]=4 693 B11R1.8 COC1=CC(Br)=CC(F)=C1F B45147 [1,1,0,0,0,0|2,0,0]=4 694 B11R1.8 COC1=CC(C)=CC(F)=C1O F49394 [1,1,0,0,0,0|0,0,0]=2 695 B11R1.37 CCC1=C(OC)C=CC(Br)=C1 B50154 [1,1,0,0,0,0|2,0,0]=4 696 B11R1.37 COC1=C(C#N)C=C(C)C=C1 M24107 [1,1,0,0,0,0|2,0,0]=4 697 B11R1.37 COC1=C(C#N)C=CC(Br)=C1 B38474 [1,1,0,0,0,0|2,0,0]=4 698 B11R1.37 COC1=C(C#N)C=CC(C)=C1 M51760 [1,1,0,0,0,0|1,0,0]=3 699 B11R1.37 COC1=C(C#N)C=CC(F)=C1 F37947 [1,1,0,0,0,0|2,0,0]=4 700 B11R1.37 COC1=C(C#N)C=CC(N)=C1 A67804 [1,1,0,0,0,0|2,0,0]=4 701 B11R1.37 COC1=C(C=O)C=C(C)C=C1 M65814 [1,1,0,0,0,0|2,0,0]=4 702 B11R1.37 COC1=C(C=O)C=CC(Br)=C1 B48577 [1,1,0,0,0,0|1,0,1]=4 703 B11R1.37 COC1=C(C=O)C=CC(C)=C1 M49887 [1,1,0,0,0,0|0,0,1]=3 704 B11R1.37 COC1=C(C=O)C=CC(Cl)=C1 C48598 [1,1,0,0,0,0|1,0,1]=4 705 B11R1.37 COC1=C(C=O)C=CC(F)=C1 F38615 [1,1,0,0,0,0|1,0,1]=4 706 B11R1.37 COC1=C(C=O)C=CC(O)=C1 H68872 [1,1,0,0,0,0|1,0,1]=4 707 B11R1.37 COC1=C(CBr)C=CC(Br)=C1 B38655 [1,1,0,0,0,0|2,0,0]=4 708 B11R1.37 COC1=C(CN)C=CC(F)=C1 F46817 [1,1,0,0,0,0|2,0,0]=4 709 B11R1.37 COC1=C(CO)C=CC(Br)=C1 B49376 [1,1,0,0,0,0|1,0,0]=3 710 B11R1.37 COC1=C(CO)C=CC(Br)=N1 B46129 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.37 COC1=C(CO)C=CC(O)=C1 H4698 [1,1,0,0,0,0|1,0,0]=3 712 B11R1.37 COC1=C(NN)C=CC(Cl)=C1 C46330 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.37 COC1=C(OC)C=C(Br)C=C1 B39520 [1,1,0,0,0,0|1,0,0]=3 714 B11R1.37 COC1=C(OC)C=C(F)C=C1 F49393 [1,1,0,0,0,0|1,0,0]=3 715 B11R1.37 COC1=C(OC)C=C(I)C=C1 K49399 [1,1,0,0,0,0|1,0,0]=3 716 B11R1.37 COC1=C(OC)C=C(N)C=C1 D39436 [1,1,0,0,0,0|1,0,0]=3 717 B11R1.37 COC1=C(OC)C=C([Mg+])C=C1 D31789 [1,1,0,0,0,0|1,0,0]=3 718 B11R1.37 COC1=C(OC)N=C(I)C=C1 K62513 [1,1,0,0,0,0|2,0,0]=4 719 B11R1.37 COC1=CC(Br)=CN=C1OC B46127 [1,1,0,0,0,0|2,0,0]=4 720 B11R1.37 COC1=CC(C)=CN=C1OC D46918 [1,1,0,0,0,0|1,0,0]=3 721 B11R1.37 COC1=CC(Cl)=NC=C1CO C63126 [1,1,0,0,0,0|2,0,0]=4 722 B11R1.37 COC1=CC=C(N)N=C1OC D43649 [1,1,0,0,0,0|2,0,0]=4 723 B11R1.72 COC1=C(Br)C=CC(F)=C1F B61018 [1,1,0,0,0,0|2,0,0]=4 724 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 B3183 [1,1,0,0,0,0|2,0,0]=4 725 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 H49899 [1,1,0,0,0,0|1,0,0]=3 726 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 C48603 [1,1,0,0,0,0|2,0,0]=4 727 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 F39496 [1,1,0,0,0,0|2,0,0]=4 728 B11R1.167 CC(=O)C1=C(O)C=CC(N)=C1 A49291 [1,1,0,0,0,0|2,0,0]=4 729 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 D39506 [1,1,0,0,0,0|2,0,0]=4 730 B11R1.167 CC1=CC(B(O)O)=C(O)C=C1 H46445 [1,1,0,0,0,0|2,0,0]=4 731 B11R1.167 CC1=CC(C(=O)O)=C(O)C=C1 H60608 [1,1,0,0,0,0|2,0,0]=4 732 B11R1.182 CCOC1=C(C)C=CC(Br)=C1 B50153 [1,1,0,0,0,0|2,0,0]=4 733 B11R1.182 COCC1=C(F)C=CC(Br)=C1 B39083 [1,1,0,0,0,0|2,0,0]=4 734 B11R1.277 COC1=C(Br)C=C(Br)C(N)=C1 D45868 [1,1,0,0,0,0|2,0,0]=4 735 B11R1.277 COC1=C(Br)C=C(C)C(N)=C1 B46790 [1,1,0,0,0,0|2,0,0]=4 736 B11R1.277 COC1=C(Br)C=C(Cl)C(N)=C1 B45873 [1,1,0,0,0,0|2,0,0]=4 737 B11R1.277 COC1=C(Br)C=C(N)C(C)=C1 B46791 [1,1,0,0,0,0|1,0,0]=3 738 B11R1.277 COC1=C(Cl)C=C(Cl)C(N)=C1 D45878 [1,1,0,0,0,0|2,0,0]=4 739 B11R1.277 COC1=CC(=O)C(Br)=CC1=O B45114 [1,1,0,0,0,0|1,0,1]=4 740 B11R1.277 COC1=CC(Br)=C(Cl)C=C1N B45874 [1,1,0,0,0,0|2,0,0]=4 741 B11R1.277 COC1=CC(Br)=C(F)C=C1Cl B45137 [1,1,0,0,0,0|2,0,0]=4 742 B11R1.277 COC1=CC(Br)=C(F)C=C1N B69184 [1,1,0,0,0,0|2,0,0]=4 743 B11R1.277 COC1=CC(Br)=C(N)C=C1C B46788 [1,1,0,0,0,0|2,0,0]=4 744 B11R1.277 COC1=CC(F)=C(Br)C=C1N B62093 [1,1,0,0,0,0|2,0,0]=4 745 B11R1.277 COC1=CC(N)=C(Br)C=C1C B46789 [1,1,0,0,0,0|2,0,0]=4 746 B11R1.277 COC1=CC(N)=C(Cl)C=C1F C63460 [1,1,0,0,0,0|2,0,0]=4 747 B11R1.9 CCC1=CC(Br)=CC(CC)=C1 B52870 [1,1,0,0,0,0|1,0,0]=3 748 B11R1.9 CCC1=CC(Br)=CC(CC)=N1 B50226 [1,1,0,0,0,0|2,0,0]=4 749 B11R1.9 CCC1=CC(OC)=CC(=O)O1 E46842 [1,1,0,0,0,0|1,0,0]=3 750 B11R1.9 COC1=CC(Br)=CC(OC)=C1 B49374 [1,1,0,0,0,0|1,0,0]=3 751 B11R1.9 COC1=CC(C#N)=CC(Br)=C1 B9185 [1,1,0,0,0,0|1,0,1]=4 752 B11R1.9 COC1=CC(C#N)=CC(F)=C1 F48102 [1,1,0,0,0,0|1,0,1]=4 753 B11R1.9 COC1=CC(C)=CC(C=O)=C1 M49890 [1,1,0,0,0,0|1,0,1]=4 754 B11R1.9 COC1=CC(C=O)=CC(Br)=C1 B48576 [1,1,0,0,0,0|1,0,1]=4 755 B11R1.9 COC1=CC(C=O)=CC(Cl)=C1 C38366 [1,1,0,0,0,0|1,0,1]=4 756 B11R1.9 COC1=CC(C=O)=CC(F)=C1 F38591 [1,1,0,0,0,0|1,0,1]=4 757 B11R1.9 COC1=CC(CBr)=CC(Cl)=C1 B49132 [1,1,0,0,0,0|1,0,0]=3 758 B11R1.9 COC1=CC(CBr)=CC(F)=C1 F49137 [1,1,0,0,0,0|1,0,0]=3 759 B11R1.9 COC1=CC(CO)=CC(Cl)=N1 C46143 [1,1,0,0,0,0|2,0,0]=4 760 B11R1.9 COC1=CC(Cl)=CC(OC)=C1 C49385 [1,1,0,0,0,0|1,0,0]=3 761 B11R1.9 COC1=CC(Cl)=CC(OC)=N1 C46140 [1,1,0,0,0,0|2,0,0]=4 762 B11R1.9 COC1=CC(Cl)=NC(OC)=C1 C46139 [1,1,0,0,0,0|2,0,0]=4 763 B11R1.9 COC1=CC(F)=CC(OC)=C1 F49391 [1,1,0,0,0,0|1,0,0]=3 764 B11R1.9 COC1=CC(N)=CC(C#N)=C1 A48801 [1,1,0,0,0,0|1,0,1]=4 765 B11R1.9 COC1=CC(N)=CC(CO)=C1 A46924 [1,1,0,0,0,0|1,0,0]=3 766 B11R1.9 COC1=CC(N)=CC(OC)=C1 D46917 [1,1,0,0,0,0|1,0,0]=3 767 B11R1.9 COC1=CC(O)=CC(C=O)=C1 H38286 [1,1,0,0,0,0|1,0,1]=4 768 B11R1.9 COC1=CC(O)=CC(OC)=C1 D67397 [1,1,0,0,0,0|1,0,0]=3 769 B11R1.9 COC1=CC([Mg+])=CC(OC)=C1 D31790 [1,1,0,0,0,0|1,0,0]=3 770 B11R1.9 COC1=NC(C)=CC(CCl)=C1 C32334 [1,1,0,0,0,0|2,0,0]=4 771 B11R1.189 C=CCC1=CC=CC(OC)=C1 M52782 [1,1,0,0,0,0|0,0,1]=3 772 B11R1.189 CNCC1=CC=CC(C#N)=C1 M49715 [1,1,0,0,0,0|2,0,0]=4 773 B11R1.189 CNCC1=CC=CC(OC)=C1 M50357 [1,1,0,0,0,0|0,0,0]=2 774 B11R1.189 COC1=CC(CC#N)=CC=C1 M22153 [1,1,0,0,0,0|0,0,1]=3 775 B11R1.189 COC1=CC(CCN)=CC=C1 M52171 [1,1,0,0,0,0|0,0,0]=2 776 B11R1.189 COC1=CC(CCN)=CC=C1 M67069 [1,1,0,0,0,0|0,0,0]=2 777 B11R1.189 COC1=CC(CCO)=CC=C1 M50285 [1,1,0,0,0,0|0,0,0]=2 778 B11R1.189 COC1=CC(CNN)=CC=C1 M0100 [1,1,0,0,0,0|1,0,0]=3 779 B11R1.189 N#CC1=CC=CC(CCO)=C1 H38259 [1,1,0,0,0,0|2,0,0]=4 780 B11R1.189 NCC1=CC=CC(CCO)=C1 A32377 [1,1,0,0,0,0|2,0,0]=4 781 B11R1.266 CC(C)C1=CC=CC(C=O)=C1 P52779 [1,1,0,0,0,0|2,0,0]=4 782 B11R1.266 CC(C)C1=CC=CC(CBr)=C1 B11975 [1,1,0,0,0,0|2,0,0]=4 783 B11R1.266 CCC1=CC=CC(B(O)O)=C1 E2596 [1,1,0,0,0,0|2,0,0]=4 784 B11R1.266 CCC1=CC=CC([N+](=O)[O-])=C1 E49272 [1,1,0,0,0,0|2,0,0]=4 785 B11R1.266 COC1=CC(B(O)O)=CC=C1 M4280 [1,1,0,0,0,0|2,0,0]=4 786 B11R1.266 COC1=CC(C(=N)N)=CC=C1 M49491 [1,1,0,0,0,0|1,0,1]=4 787 B11R1.266 COC1=CC(N(C)C)=CC=C1 M50347 [1,1,0,0,0,0|1,0,0]=3 788 B11R1.266 COC1=CC([C@@H](C)N)=CC=C1 M50354 [1,1,0,0,0,0|0,0,0]=2 789 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 M52175 [1,1,0,0,0,0|0,0,0]=2 790 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 M64083 [1,1,0,0,0,0|0,0,0]=2 791 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 M64469 [1,1,0,0,0,0|0,0,0]=2 792 B11R1.266 COC1=CC([C@H](C)O)=CC=C1 M50283 [1,1,0,0,0,0|0,0,0]=2 793 B11R1.266 COC1=CC=CC(C(C)=O)=C1 M27970 [1,1,0,0,0,0|0,0,1]=3 794 B11R1.266 COC1=CC=CC(C(C)=O)=N1 A49277 [1,1,0,0,0,0|1,0,1]=4 795 B11R1.266 COC1=NC=CC([C@@H](C)N)=C1 M49669 [1,1,0,0,0,0|1,0,0]=3 796 B11R1.266 COC1=NC=CC([C@H](C)N)=C1 M49540 [1,1,0,0,0,0|1,0,0]=3 797 B11R1.266 C[C@@H](N)C1=CC=CC(C#N)=C1 A52057 [1,1,0,0,0,0|2,0,0]=4 798 B11R1.267 CCC1=CC=CC(CC)=C1O D53083 [1,1,0,0,0,0|1,0,0]=3 799 B11R1.267 COC1=C(Br)C(C=O)=CC=C1 B48572 [1,1,0,0,0,0|1,0,1]=4 800 B11R1.267 COC1=C(C)C(CO)=NC=C1 M46930 [1,1,0,0,0,0|2,0,0]=4 801 B11R1.267 COC1=C(Cl)C(C#N)=CC=C1 C62247 [1,1,0,0,0,0|1,0,1]=4 802 B11R1.267 COC1=C(Cl)C(C=O)=CC=C1 C68319 [1,1,0,0,0,0|1,0,1]=4 803 B11R1.267 COC1=C(F)C(C#N)=CC=C1 F48099 [1,1,0,0,0,0|1,0,1]=4 804 B11R1.267 COC1=C(N)C(C#N)=CC=C1 A32020 [1,1,0,0,0,0|1,0,1]=4 805 B11R1.267 COC1=C(N)C(CO)=CC=C1 A46921 [1,1,0,0,0,0|1,0,0]=3 806 B11R1.267 COC1=CC=CC(C=O)=C1O V68098 [1,1,0,0,0,0|1,0,1]=4 807 B11R1.267 COC1=CC=CC(OC)=C1Br B49375 [1,1,0,0,0,0|1,0,0]=3 808 B11R1.267 COC1=CC=CC(OC)=C1Cl C49386 [1,1,0,0,0,0|1,0,0]=3 809 B11R1.267 COC1=CC=CC(OC)=C1I K49398 [1,1,0,0,0,0|1,0,0]=3 810 B11R1.267 COC1=CC=CC(OC)=C1N D63809 [1,1,0,0,0,0|1,0,0]=3 811 B11R1.267 COC1=CC=CC(OC)=C1N D9397 [1,1,0,0,0,0|1,0,0]=3 812 B11R1.267 COC1=CC=CC(OC)=C1O D67574 [1,1,0,0,0,0|1,0,0]=3 813 B11R1.267 COC1=CC=NC(OC)=C1Br B46124 [1,1,0,0,0,0|2,0,0]=4 814 B11R1.267 COC1=CN=CC(OC)=C1Br B46126 [1,1,0,0,0,0|2,0,0]=4 815 B11R1.14 CC1=CC(C#N)=CC(C)=C1O D1628 [1,1,0,0,0,0|1,0,1]=4 816 B11R1.14 CC1=CC(C#N)=CC(Cl)=C1O C0012 [1,1,0,0,0,0|1,0,1]=4 817 B11R1.14 CC1=CC(C=O)=CC(C)=C1O H67928 [1,1,0,0,0,0|1,0,1]=4 818 B11R1.14 COC1=CC(C)=C(Br)C(C)=C1 B50157 [1,1,0,0,0,0|2,0,0]=4 819 B11R1.14 COC1=CC(C)=C(N)C(C)=C1 M50348 [1,1,0,0,0,0|2,0,0]=4 820 B11R1.21 CC(=O)C1=CC(Br)=C(O)C=C1 B48581 [1,1,0,0,0,0|1,0,1]=4 821 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=C1 B52034 [1,1,0,0,0,0|1,0,1]=4 822 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 C52042 [1,1,0,0,0,0|1,0,1]=4 823 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 F28728 [1,1,0,0,0,0|1,0,1]=4 824 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 F48621 [1,1,0,0,0,0|1,0,1]=4 825 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 D68113 [1,1,0,0,0,0|0,0,1]=3 826 B11R1.21 CC1=C(Cl)C=C([C@@H](C)N)C=C1 C61118 [1,1,0,0,0,0|2,0,0]=4 827 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 C50241 [1,1,0,0,0,0|2,0,0]=4 828 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 C61334 [1,1,0,0,0,0|2,0,0]=4 829 B11R1.21 CC1=C(Cl)C=CC([C@@H](C)N)=C1 C50246 [1,1,0,0,0,0|1,0,0]=3 830 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 F63759 [1,1,0,0,0,0|2,0,0]=4 831 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 F52150 [1,1,0,0,0,0|1,0,0]=3 832 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 A52256 [1,1,0,0,0,0|2,0,0]=4 833 B11R1.21 CC1=C(O)C=CC(B(O)O)=C1 H46446 [1,1,0,0,0,0|2,0,0]=4 834 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 H49097 [1,1,0,0,0,0|1,0,1]=4 835 B11R1.21 CC1=C(O)C=CC([N+](=O)[O-])=C1 M45830 [1,1,0,0,0,0|2,0,0]=4 836 B11R1.21 C[C@@H](N)C1=CC(Cl)=C(Cl)C=C1 D49232 [1,1,0,0,0,0|2,0,0]=4 837 B11R1.21 C[C@@H](N)C1=CC(Cl)=C(F)C=C1 C49241 [1,1,0,0,0,0|2,0,0]=4 838 B11R1.21 C[C@@H](N)C1=CC(F)=C(Cl)C=C1 C49243 [1,1,0,0,0,0|2,0,0]=4 839 B11R1.21 C[C@@H](N)C1=CC(F)=C(F)C=C1 D49250 [1,1,0,0,0,0|2,0,0]=4 840 B11R1.21 C[C@@H](N)C1=CC(F)=C(F)C=C1 D49637 [1,1,0,0,0,0|2,0,0]=4 841 B11R1.21 C[C@H](N)C1=CC(Br)=C(F)C=C1 B49225 [1,1,0,0,0,0|2,0,0]=4 842 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Br)C=C1 B49221 [1,1,0,0,0,0|2,0,0]=4 843 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 B49227 [1,1,0,0,0,0|2,0,0]=4 844 B11R1.21 C[C@H](N)C1=CC(F)=C(Cl)C=C1 C49246 [1,1,0,0,0,0|2,0,0]=4 845 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 D49642 [1,1,0,0,0,0|2,0,0]=4 846 B11R1.21 C[C@H](O)C1=CC(Cl)=C(Cl)C=C1 D49144 [1,1,0,0,0,0|2,0,0]=4 847 B11R1.21 C[C@H](O)C1=CC(F)=C(F)C=C1 D49155 [1,1,0,0,0,0|2,0,0]=4 848 B11R1.21 O=[N+]([O-])C1=CC(O)=C(O)C=C1 N61905 [1,1,0,0,0,0|2,0,0]=4 849 B11R1.192 CCCC1=CC(F)=C(Br)C=C1 B49701 [1,1,0,0,0,0|2,0,0]=4 850 B11R1.192 CCOC1=CC(C)=C(Br)C=C1 B50152 [1,1,0,0,0,0|1,0,0]=3 851 B11R1.192 CCOC1=CC(F)=C(Br)C=C1 B49136 [1,1,0,0,0,0|2,0,0]=4 852 B11R1.192 CNCC1=CC(C)=C(C)C=C1 D53119 [1,1,0,0,0,0|1,0,0]=3 853 B11R1.192 CNCC1=CC(Cl)=C(Cl)C=C1 D67460 [1,1,0,0,0,0|2,0,0]=4 854 B11R1.192 CNCC1=CC(O)=C(O)C=C1 M49486 [1,1,0,0,0,0|0,0,0]=2 855 B11R1.192 FC1=C(F)C=C(CCBr)C=C1 B48302 [1,1,0,0,0,0|2,0,0]=4 856 B11R1.192 OCCC1=CC(Cl)=C(Cl)C=C1 D49146 [1,1,0,0,0,0|2,0,0]=4 857 B11R1.192 OCCC1=CC(F)=C(Cl)C=C1 C49151 [1,1,0,0,0,0|2,0,0]=4 858 B11R1.278 CC1=C(O)C=CC(C#N)=C1N A65381 [1,1,0,0,0,0|1,0,1]=4 859 B11R1.278 CC1=C(O)C=CC(C=O)=C1O D49103 [1,1,0,0,0,0|1,0,1]=4 860 B11R1.278 COC1=C(C)C(C)=C(Br)C=C1 B50156 [1,1,0,0,0,0|2,0,0]=4 861 B11R1.278 COC1=C(C)C(C)=C(I)C=C1 K50164 [1,1,0,0,0,0|2,0,0]=4 862 B11R1.278 COC1=CC=C(O)C(F)=C1F D68850 [1,1,0,0,0,0|2,0,0]=4 863 B11R1.278 O=CC1=C(O)C(O)=C(O)C=C1 T39391 [1,1,0,0,0,0|1,0,1]=4 864 B11R1.279 CCC1=CC(N)=C(OC)C=C1 E50338 [1,1,0,0,0,0|1,0,0]=3 865 B11R1.279 COC1=C(Br)C=C(CO)C=C1 B49379 [1,1,0,0,0,0|2,0,0]=4 866 B11R1.279 COC1=C(C)C=C(C#N)C=C1 M63445 [1,1,0,0,0,0|1,0,1]=4 867 B11R1.279 COC1=C(C)C=C(C=O)C=C1 M49891 [1,1,0,0,0,0|1,0,1]=4 868 B11R1.279 COC1=C(Cl)C=C(CBr)C=C1 B49134 [1,1,0,0,0,0|2,0,0]=4 869 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 C46806 [1,1,0,0,0,0|2,0,0]=4 870 B11R1.279 COC1=C(F)C=C(CBr)C=C1 B2649 [1,1,0,0,0,0|2,0,0]=4 871 B11R1.279 COC1=C(F)C=C(CN)C=C1 F46816 [1,1,0,0,0,0|2,0,0]=4 872 B11R1.279 COC1=C(N)C=C(CO)C=C1 A37036 [1,1,0,0,0,0|2,0,0]=4 873 B11R1.279 COC1=C(O)C=C(C#N)C=C1 H67534 [1,1,0,0,0,0|1,0,1]=4 874 B11R1.279 COC1=C(O)C=C(CO)C=C1 H39431 [1,1,0,0,0,0|1,0,0]=3 875 B11R1.279 COC1=CC(Br)=C(OC)C=C1 B39519 [1,1,0,0,0,0|2,0,0]=4 876 B11R1.279 COC1=CC(C)=C(C#N)C=C1 M51764 [1,1,0,0,0,0|2,0,0]=4 877 B11R1.279 COC1=CC(C)=C(C=O)C=C1 M49888 [1,1,0,0,0,0|1,0,1]=4 878 B11R1.279 COC1=CC(C)=C(OC)C=C1 D50280 [1,1,0,0,0,0|1,0,0]=3 879 B11R1.279 COC1=CC(F)=C(OC)C=C1 F49392 [1,1,0,0,0,0|2,0,0]=4 880 B11R1.279 COC1=CC(N)=C(CO)C=C1 A46922 [1,1,0,0,0,0|2,0,0]=4 881 B11R1.279 COC1=CC(N)=C(OC)C=C1 D39435 [1,1,0,0,0,0|2,0,0]=4 882 B11R1.279 COC1=CC(O)=C(C#N)C=C1 H48461 [1,1,0,0,0,0|2,0,0]=4 883 B11R1.279 COC1=CC(O)=C(OC)C=C1 D46841 [1,1,0,0,0,0|1,0,0]=3 884 B11R1.279 COC1=CC(S)=C(OC)C=C1 D46838 [1,1,0,0,0,0|1,1,0]=4 885 B11R1.279 COC1=CC([Mg+])=C(OC)C=C1 D31788 [1,1,0,0,0,0|2,0,0]=4 886 B11R1.279 O=CC1=C(O)C=C(CO)C=C1 H64562 [1,1,0,0,0,0|1,0,1]=4 887 B13R1.49 CCC(=O)C1=CC(OC)=C(O)C=C1 H52846 [0,2,0,0,0,0|0,0,0]=2 888 B13R1.49 COC(=O)C1=CC(OC)=C(Br)C=C1 M51973 [0,2,0,0,0,0|1,0,1]=4 889 B13R1.49 COC(=O)C1=CC(OC)=C(I)C=C1 M52003 [0,2,0,0,0,0|1,0,1]=4 890 B13R1.49 COC(=O)C1=CC(OC)=C(N)C=C1 M64423 [0,2,0,0,0,0|1,0,1]=4 891 B13R1.49 COC(=O)C1=NC(OC)=C(O)C=C1 M49356 [0,2,0,0,0,0|1,0,1]=4 892 B13R1.49 COC1=C(F)C=CC(C(=O)CBr)=C1 B51591 [0,2,0,0,0,0|1,0,1]=4 893 B13R1.50 CC(C)(C)C1=CC(C=O)=C(O)C=C1 B54783 [0,2,0,0,0,0|2,0,0]=4 894 B13R1.50 COC1=C(Br)C=CC(C(F)(F)F)=C1 B48261 [0,2,0,0,0,0|2,0,0]=4 895 B13R1.50 COC1=C(N)C=CC(S(C)(=O)=O)=C1 M38702 [0,2,0,0,0,0|2,0,0]=4 896 B13R1.298 COC1=C(O)C(O)=CC(C(=O)O)=C1 D60814 [0,2,0,0,0,0|1,0,1]=4 897 B13R1.354 CCOC1=C(F)C=CC(C(C)=O)=C1 E52646 [0,2,0,0,0,0|1,0,1]=4 898 B13R1.651 CCC1=C(F)C=C(O)C([N+](=O)[O-])=C1 E65622 [0,2,0,0,0,0|2,0,0]=4 899 B13R1.651 COC1=CC(C(C)=O)=C(F)C=C1O F37559 [0,2,0,0,0,0|0,0,1]=3 900 B13R1.3091 CCC1=C(CO)C=CC(C(C)=O)=C1 E62280 [0,2,0,0,0,0|1,0,1]=4 901 B13R1.3091 COC1=C(OC)C=C(B(O)O)C=C1 D2780 [0,2,0,0,0,0|2,0,0]=4 902 B13R1.3091 COC1=C(OC)C=C(C(C)=O)C=C1 D67685 [0,2,0,0,0,0|0,0,1]=3 903 B13R1.3091 COC1=C(OC)C=C([C@@H](C)N)C=C1 D53151 [0,2,0,0,0,0|0,0,0]=2 904 B13R1.3091 COC1=C(OC)C=C([C@@H](C)N)C=C1 D54200 [0,2,0,0,0,0|0,0,0]=2 905 B13R1.3091 COC1=C(OC)C=C([N+](=O)[O-])C=C1 D49347 [0,2,0,0,0,0|2,0,0]=4 906 B13R1.99 COC1=C(B(O)O)C=CC(C#N)=C1 C37172 [0,2,0,0,0,0|1,0,1]=4 907 B13R1.99 COC1=C(B(O)O)C=CC(C=O)=C1 F49418 [0,2,0,0,0,0|1,0,1]=4 908 B13R1.99 COC1=C(C(=O)O)C=CC(C#N)=C1 C51203 [0,2,0,0,0,0|1,0,1]=4 909 B13R1.99 COC1=C([N+](=O)[O-])C=CC(CO)=C1 M49353 [0,2,0,0,0,0|1,0,1]=4 910 B13R1.99 COC1=CC(OC)=C(B(O)O)C=C1 D2720 [0,2,0,0,0,0|1,0,0]=3 911 B13R1.99 COC1=CC(OC)=C(C(=O)O)C=C1 D39540 [0,2,0,0,0,0|1,0,0]=3 912 B13R1.99 COC1=CC=C(B(O)O)C(OC)=N1 D2487 [0,2,0,0,0,0|2,0,0]=4 913 B13R1.355 CCOC1=C(OC)C=CC(C#N)=C1 E52560 [0,2,0,0,0,0|1,0,1]=4 914 B13R1.355 CCOC1=C(OC)C=CC(C=O)=C1 E66599 [0,2,0,0,0,0|1,0,1]=4 915 B13R1.386 CNCC1=CC(OC)=C(OC)C=C1 M53149 [0,2,0,0,0,0|0,0,0]=2 916 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 D60599 [0,2,0,0,0,0|0,0,1]=3 917 B13R1.386 COC1=C(OC)C=C(CCO)C=C1 D53095 [0,2,0,0,0,0|0,0,0]=2 918 B13R1.434 COC1=CC(C=O)=CC(Br)=C1OC B61946 [0,2,0,0,0,0|1,0,1]=4 919 B13R1.434 COC1=CC(C=O)=CC(I)=C1OC K52004 [0,2,0,0,0,0|1,0,1]=4 920 B13R1.434 COC1=CC(OC)=C(C=O)C(O)=C1 H49945 [0,2,0,0,0,0|1,0,1]=4 921 B13R1.1249 CNCC1=C(OC)C=C(OC)C=C1 D53155 [0,2,0,0,0,0|2,0,0]=4 922 B13R1.1249 CNCC1=C(OC)C=C(OC)C=C1 D61717 [0,2,0,0,0,0|2,0,0]=4 923 B13R1.1249 COC1=CC(OC)=C(CON)C=C1 D38297 [0,2,0,0,0,0|1,0,0]=3 924 B13R1.2200 COC1=C(OC)C=C(C#N)C(N)=C1 A68986 [0,2,0,0,0,0|1,0,1]=4 925 B13R1.2200 COC1=CC(Br)=C(C=O)C=C1OC B39581 [0,2,0,0,0,0|1,0,1]=4 926 B13R1.2200 COC1=CC(OC)=C(OC)C=C1N T50375 [0,2,0,0,0,0|1,0,0]=3 927 B13R1.2422 COC1=CC=C(C=O)C(Cl)=C1OC C51985 [0,2,0,0,0,0|1,0,1]=4 928 B13R1.2422 COC1=CC=C(C=O)C(F)=C1OC F51995 [0,2,0,0,0,0|1,0,1]=4 929 B13R1.2430 COC1=CC(C(C)=O)=C(OC)C=C1 D39609 [0,2,0,0,0,0|2,0,0]=4 930 B13R1.97 O=CC1=CC(OC(F)F)=C(O)C=C1 D48230 [0,2,0,0,0,0|1,0,1]=4 931 B13R1.2431 COC(=O)C1=C(Br)C=CC(CBr)=C1 M32249 [0,2,0,0,0,0|2,0,0]=4 932 B13R1.2431 COC(=O)C1=C(Br)C=CC(OC)=C1 M51970 [0,2,0,0,0,0|2,0,0]=4 933 B13R1.2431 COC(=O)C1=C(Cl)C=CC(CN)=C1 M49823 [0,2,0,0,0,0|2,0,0]=4 934 B13R1.2431 COC(=O)C1=C(Cl)C=CC(OC)=C1 M51988 [0,2,0,0,0,0|2,0,0]=4 935 B13R1.2431 COC(=O)C1=C(F)C=CC(CBr)=C1 M51582 [0,2,0,0,0,0|2,0,0]=4 936 B13R1.2431 COC(=O)C1=C(I)C=CC(OC)=C1 M52002 [0,2,0,0,0,0|2,0,0]=4 937 B13R1.2431 COC(=O)C1=C(N)C=CC(OC)=C1 M50089 [0,2,0,0,0,0|2,0,0]=4 938 B13R1.2431 COC(=O)C1=C(O)C=CC(C=O)=C1 M64920 [0,2,0,0,0,0|1,0,1]=4 939 B13R1.2431 COC(=O)C1=C(O)C=CC(CO)=C1 M63336 [0,2,0,0,0,0|1,0,0]=3 940 B13R1.3981 CCOC1=CC(C=O)=CC(Br)=C1O B51977 [0,2,0,0,0,0|1,0,1]=4 941 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 F51997 [0,2,0,0,0,0|1,0,1]=4 942 B13R1.387 CCCC1=CC(C(C)=O)=C(O)C=C1 H27974 [0,2,0,0,0,0|1,0,0]=3 943 B13R1.575 CCOCC1=CC(OC)=C(O)C=C1 E53096 [0,2,0,0,0,0|0,0,0]=2 944 B13R1.425 COC1=CC(OC)=C(Cl)C(N)=C1Cl D49296 [0,2,0,0,0,0|2,0,0]=4 945 B13R1.425 COC1=CC(OC)=C(F)C(N)=C1F D49297 [0,2,0,0,0,0|2,0,0]=4 946 B13R1.433 COC1=CC(CO)=CC(OC)=C1Br B50135 [0,2,0,0,0,0|2,0,0]=4 947 B13R1.433 COC1=CC(OC)=C(Br)C(OC)=C1 B50134 [0,2,0,0,0,0|2,0,0]=4 948 B13R1.433 COC1=CC(OC)=C(N)C(OC)=C1 T50376 [0,2,0,0,0,0|2,0,0]=4 949 B13R1.433 COC1=CC(OC)=C(O)C(OC)=C1 T50304 [0,2,0,0,0,0|1,0,0]=3 950 B13R1.2277 COC1=C(OC)C(OC)=C(Br)C=C1 B50133 [0,2,0,0,0,0|2,0,0]=4 951 B13R1.2277 COC1=CC=C(O)C(OC)=C1OC T50303 [0,2,0,0,0,0|1,0,0]=3 952 B11R1.44 COC(=O)C1=CC=C(CCl)O1 M45939 [0,0,1,1,0,0|2,0,0]=4 953 B11R2.36 BrC1=CC2=C(C=C1)CCO2 B48719 [1,0,0,1,0,0|2,0,0]=4 954 B11R2.36 BrC1=CC2=C(C=C1)OCC2 B24807 [1,0,0,1,0,0|2,0,0]=4 955 B11R2.36 BrC1=CC2=C(C=C1)OCO2 B68095 [1,0,0,1,0,0|1,0,0]=3 956 B11R2.36 CC1=CC2=C(C=C1)N=CO2 M48438 [1,0,0,1,0,0|1,0,1]=4 957 B11R2.36 CC1=CC2=C(C=C1)NCC2 M49974 [1,0,0,1,0,0|2,0,0]=4 958 B11R2.36 CC1=CC2=C(C=C1)OC=N2 M48441 [1,0,0,1,0,0|1,0,1]=4 959 B11R2.36 CC1=CC2=C(C=C1)OCO2 M65617 [1,0,0,1,0,0|0,0,0]=2 960 B11R2.36 ClC1=CC2=C(C=C1)OCC2 C48731 [1,0,0,1,0,0|2,0,0]=4 961 B11R2.36 FC1=CC2=C(C=C1)OCC2 F62598 [1,0,0,1,0,0|2,0,0]=4 962 B11R2.36 IC1=CC2=C(C=C1)OCC2 I2714 [1,0,0,1,0,0|2,0,0]=4 963 B11R2.36 NC1=CC2=C(C=C1)OCC2 D49263 [1,0,0,1,0,0|2,0,0]=4 964 B11R2.36 NC1=CC2=C(C=C1)OCO2 M67396 [1,0,0,1,0,0|1,0,0]=3 965 B11R2.36 NC1=CC=C2OCOC2=N1 D60200 [1,0,0,1,0,0|2,0,0]=4 966 B11R2.36 OC1=CC2=C(C=C1)CCO2 D49068 [1,0,0,1,0,0|2,0,0]=4 967 B11R2.36 OC1=CC2=C(C=C1)OCC2 D49067 [1,0,0,1,0,0|2,0,0]=4 968 B11R2.36 [Mg+]C1=CC2=C(C=C1)OCO2 B31763 [1,0,0,1,0,0|1,0,0]=3 969 B11R2.190 C=CC1=CC2=C(C=C1)CC2 V52272 [1,0,0,1,0,0|1,0,1]=4 970 B11R2.190 O=CC1=CC2=C(C=C1)CC2 B51547 [1,0,0,1,0,0|2,0,0]=4 971 B11R2.190 OCC1=CC2=C(C=C1)CC2 B49878 [1,0,0,1,0,0|2,0,0]=4 972 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCC2 D65080 [0,1,0,1,0,0|1,0,1]=4 973 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 M51629 [0,1,0,1,0,0|0,0,1]=3 974 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 B48236 [0,1,0,1,0,0|1,0,1]=4 975 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)OCO2 N61948 [0,1,0,1,0,0|2,0,0]=4 976 B13R2.430 OB(O)C1=CC2=C(C=C1)OCO2 M4360 [0,1,0,1,0,0|2,0,0]=4 977 B13R2.57 BrCC1=CC2=C(C=C1)OCCO2 B51912 [0,1,0,1,0,0|1,0,0]=3 978 B13R2.57 COC1=CC2=C(C=C1)NCCO2 M38970 [0,1,0,1,0,0|2,0,0]=4 979 B13R2.57 O=CC1=CC2=C(C=C1)OCCO2 D22898 [0,1,0,1,0,0|1,0,1]=4 980 B13R2.57 OCC1=CC2=C(C=C1)OCCO2 D49934 [0,1,0,1,0,0|1,0,0]=3 981 B13R2.57 OCC1=CC=C2OCCOC2=N1 D49342 [0,1,0,1,0,0|2,0,0]=4 982 B13R2.669 CCC1=CC2=C(C=C1)CCC2=O E54540 [0,1,0,1,0,0|2,0,0]=4 983 B13R2.669 COC1=CC2=C(C=C1)OCC2=O M36758 [0,1,0,1,0,0|2,0,0]=4 984 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 M36796 [0,1,0,1,0,0|1,0,1]=4 985 B13R2.2121 CC1=NC2=C(C=CC(CO)=C2)O1 M51784 [0,1,0,1,0,0|2,0,0]=4 986 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)O2 M51781 [0,1,0,1,0,0|2,0,0]=4 987 B13R2.449 BrCCC1=CC2=C(C=C1)OCC2 B52668 [0,1,0,1,0,0|1,0,0]=3 988 B13R2.449 ClCCC1=CC2=C(C=C1)OC=C2 C65547 [0,1,0,1,0,0|1,0,1]=4 989 B13R2.449 ClCCC1=CC2=C(C=C1)OCC2 C66172 [0,1,0,1,0,0|1,0,0]=3 990 B13R2.449 N#CCC1=CC2=C(C=C1)OCO2 B61138 [0,1,0,1,0,0|0,0,1]=3 991 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 M69505 [0,1,0,1,0,0|0,0,0]=2 992 B13R2.599 CC1=C(CCl)C=C2OCOC2=C1 C65618 [0,1,0,1,0,0|1,0,0]=3 993 B13R2.599 O=CC1=C(Br)C=C2OCOC2=C1 B47801 [0,1,0,1,0,0|1,0,1]=4 994 B13R2.599 OCC1=C(Br)C=C2OCOC2=C1 B48653 [0,1,0,1,0,0|1,0,0]=3 995 B13R2.84 O=CC1=C(Br)C2=C(C=C1)OCO2 B36840 [0,1,0,1,0,0|1,0,1]=4 996 B9R1.14 COC1=CSC=C1OC D38623 [1,0,0,0,1,0|2,0,0]=4 997 B9R1.21 COC1=CC=C(OC)S1 D43309 [1,0,0,0,1,0|2,0,0]=4 998 B11R1.265 COC1=C(C=O)C=CC=C1O H62382 [0,0,0,0,1,1|1,0,1]=4 999 B11R1.265 COC1=C(F)C=CC=C1CO F49395 [0,0,0,0,1,1|2,0,0]=4 1000 B11R1.265 COC1=C(OC)C(C)=CC=C1 D67105 [0,0,0,0,1,1|2,0,0]=4 1001 B11R1.265 COC1=C(OC)C(C)=NC=C1 D46919 [0,0,0,0,1,1|2,0,0]=4 1002 B11R1.265 COC1=CC=CC(Br)=C1OC B32213 [0,0,0,0,1,1|2,0,0]=4