0 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 B45953 [0,0,0,0,0,0|1,1,0]=2 1 B10R1.58 CC(=O)C1=CC(Cl)=C(Cl)S1 D42352 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.58 CC1=C(Br)C=C(B(O)O)S1 B41120 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 B42699 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.58 CC1=CC(C(=O)O)=NN1C D43228 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.58 CC1=CC(C(N)=O)=NN1C D43354 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.58 CN1C=C(C(=O)O)N=C1Br B40899 [0,0,0,0,0,0|2,1,0]=3 7 B10R1.58 CN1N=C(C(=O)O)C=C1N A10962 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.58 CN1N=C(C(=O)O)C=C1O H3231 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.58 NC(=O)C1=CC(Cl)=C(Cl)N1 D40774 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 A40836 [0,0,0,0,0,0|1,1,0]=2 11 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 D40555 [0,0,0,0,0,0|1,2,0]=3 12 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 D40549 [0,0,0,0,0,0|1,1,0]=2 13 B10R1.58 O=C(O)C1=CC(Cl)=C(Br)S1 B40551 [0,0,0,0,0,0|1,1,0]=2 14 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)S1 D40553 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.23 CC1=C(Br)SC(C=O)=C1 B14087 [1,0,0,0,0,0|0,1,0]=2 16 B9R1.23 CC1=C(C)SC(C=O)=N1 D25172 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.23 O=CC1=CC(Br)=C(Br)S1 D68664 [1,0,0,0,0,0|1,1,0]=3 18 B9R1.23 O=CC1=CC(Cl)=C(Cl)S1 D40557 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.35 CC(=O)C1=CC(Br)=CS1 B13699 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.35 CC(=O)C1=CC(Cl)=CS1 A12844 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.35 CC(=O)C1=CC=C(Br)S1 A12839 [1,0,0,0,0,0|1,1,0]=3 22 B9R1.35 CC(=O)C1=CC=C(C)S1 A46277 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.35 CC(=O)C1=CN=C(Br)S1 B32437 [1,0,0,0,0,0|2,1,0]=4 24 B9R1.35 CC(=O)C1=CN=C(N)S1 A41052 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.35 CC(=O)C1=CNC(C)=C1 M46389 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.35 CC(=O)C1=CSC(Cl)=C1 A1568 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.35 CC(=O)C1=NC(C)=CO1 M43141 [1,0,0,0,0,0|2,1,0]=4 28 B9R1.35 CC(=O)C1=NC=C(Br)S1 B13063 [1,0,0,0,0,0|2,1,0]=4 29 B9R1.35 CC(=O)C1=NC=C(Cl)S1 C13062 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.35 CC(=O)C1=NNC(C)=C1 M62065 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.35 CC(=O)C1=NOC(C)=C1 M43142 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.35 CC1=CC(C(=O)O)=CN1 M43147 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.35 CC1=CC(C(=O)O)=CS1 M5852 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.35 CC1=CC(C(=O)O)=NN1 M7890 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.35 CC1=CC(C(=O)O)=NO1 M27266 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.35 CC1=CC(C(N)=O)=NO1 M67790 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.35 CC1=CC=C(B(O)O)S1 M4600 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.35 CC1=CC=C(C(=O)O)N1 M36732 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.35 CC1=CC=C(C(=O)O)O1 M38051 [1,0,0,0,0,0|1,1,0]=3 40 B9R1.35 CC1=CC=C(C(=O)O)S1 M42943 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.35 CC1=CN=C(C(=O)O)S1 M40996 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.35 CC1=CN=C(C(=O)[O-])O1 S27747 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.35 CC1=CSC(B(O)O)=C1 M4580 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.35 CC1=CSC(C(=O)O)=N1 M14993 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.35 CC1=NC(C(=O)O)=CN1 M19958 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.35 CC1=NC(C(=O)O)=CO1 M62066 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.35 CC1=NC(C(=O)O)=CO1 M7132 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.35 CC1=NC(C(=O)O)=CS1 M3047 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.35 CC1=NC=C(C(=O)O)O1 M9856 [1,0,0,0,0,0|2,1,0]=4 50 B9R1.35 CC1=NC=C(C(=O)O)S1 M5426 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.35 CC1=NOC(C(=O)O)=C1 M38698 [1,0,0,0,0,0|1,1,0]=3 52 B9R1.35 CN1C=C(C(=O)O)C=N1 M7676 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.35 CN1C=CC(C(=O)O)=C1 M43143 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.35 CN1C=CC(C(=O)O)=N1 M9460 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.35 CN1C=NC(C(=O)O)=C1 M10536 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.35 CN1C=NC(C(N)=O)=C1 M41145 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.35 NC(=O)C1=CC(Br)=CN1 B40920 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.35 NC(=O)C1=CC(Br)=CO1 B40829 [1,0,0,0,0,0|2,1,0]=4 59 B9R1.35 NC(=O)C1=CC(Br)=CS1 B40841 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.35 NC(=O)C1=CC=C(Br)N1 B8083 [1,0,0,0,0,0|2,1,0]=4 61 B9R1.35 NC(=O)C1=CC=C(Br)S1 B68782 [1,0,0,0,0,0|1,1,0]=3 62 B9R1.35 NC(=O)C1=CN=C(Br)S1 B40041 [1,0,0,0,0,0|2,1,0]=4 63 B9R1.35 NC1=CC(C(=O)O)=NN1 A13351 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.35 NC1=CN=C(C(=O)O)S1 A14284 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.35 NC1=CN=C(C(=O)O)S1 A7363 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.35 NC1=CNC(C(=O)O)=N1 A20425 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.35 NC1=NC(C(=O)O)=CO1 A11266 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.35 NC1=NC(C(=O)O)=CS1 A2115 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.35 NC1=NC(C(=O)O)=CS1 A4882 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.35 NC1=NC=C(C(=O)O)S1 A3492 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 C40558 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.35 O=C(O)C1=CC(Br)=CN1 B40831 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.35 O=C(O)C1=CC(Br)=CO1 B13536 [1,0,0,0,0,0|1,1,0]=3 74 B9R1.35 O=C(O)C1=CC(Br)=CS1 B3026 [1,0,0,0,0,0|1,0,0]=2 75 B9R1.35 O=C(O)C1=CC(Br)=NO1 I24762 [1,0,0,0,0,0|2,1,0]=4 76 B9R1.35 O=C(O)C1=CC(Cl)=CS1 C12488 [1,0,0,0,0,0|1,0,0]=2 77 B9R1.35 O=C(O)C1=CC(O)=NO1 H37322 [1,0,0,0,0,0|2,1,0]=4 78 B9R1.35 O=C(O)C1=CC=C(Br)O1 B4712 [1,0,0,0,0,0|0,2,0]=3 79 B9R1.35 O=C(O)C1=CC=C(Br)S1 B12755 [1,0,0,0,0,0|0,1,0]=2 80 B9R1.35 O=C(O)C1=CC=C(Cl)O1 C40690 [1,0,0,0,0,0|0,1,0]=2 81 B9R1.35 O=C(O)C1=CC=C(Cl)S1 C10492 [1,0,0,0,0,0|0,0,0]=1 82 B9R1.35 O=C(O)C1=CC=C(F)S1 F7718 [1,0,0,0,0,0|0,1,0]=2 83 B9R1.35 O=C(O)C1=CC=C(I)S1 K40688 [1,0,0,0,0,0|0,1,0]=2 84 B9R1.35 O=C(O)C1=CN=C(Br)O1 B32073 [1,0,0,0,0,0|1,2,0]=4 85 B9R1.35 O=C(O)C1=CN=C(Br)S1 B2125 [1,0,0,0,0,0|1,1,0]=3 86 B9R1.35 O=C(O)C1=CN=C(Cl)S1 C2765 [1,0,0,0,0,0|1,0,0]=2 87 B9R1.35 O=C(O)C1=COC(Br)=C1 B69658 [1,0,0,0,0,0|2,1,0]=4 88 B9R1.35 O=C(O)C1=COC(Br)=N1 B15227 [1,0,0,0,0,0|2,1,0]=4 89 B9R1.35 O=C(O)C1=COC(Cl)=N1 C15228 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.35 O=C(O)C1=CSC(Br)=C1 B12752 [1,0,0,0,0,0|2,1,0]=4 91 B9R1.35 O=C(O)C1=CSC(Br)=N1 B2124 [1,0,0,0,0,0|2,1,0]=4 92 B9R1.35 O=C(O)C1=CSC(Cl)=C1 C7720 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.35 O=C(O)C1=CSC(Cl)=N1 C2862 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.35 O=C(O)C1=CSC(F)=C1 F15451 [1,0,0,0,0,0|2,1,0]=4 95 B9R1.35 O=C(O)C1=NC(Br)=CS1 B7895 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.35 O=C(O)C1=NC=C(Br)S1 B10955 [1,0,0,0,0,0|1,1,0]=3 97 B9R1.35 O=C(O)C1=NC=C(Cl)S1 C13056 [1,0,0,0,0,0|1,0,0]=2 98 B9R1.35 O=C(O)C1=NNC(Br)=C1 B18673 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.35 O=C(O)C1=NNC(Cl)=C1 C26046 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.35 O=C(O)C1=NNC(O)=C1 H40078 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.35 O=C1NC=C(C(=O)O)N1 X40079 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.35 O=[N+]([O-])C1=CC(Br)=CS1 B40013 [1,0,0,0,0,0|2,0,1]=4 103 B9R1.35 O=[N+]([O-])C1=CC=C(Br)S1 B40011 [1,0,0,0,0,0|1,1,1]=4 104 B9R1.35 O=[N+]([O-])C1=CN=C(Cl)S1 C39897 [1,0,0,0,0,0|2,0,1]=4 105 B9R1.35 OB(O)C1=CC(Br)=CS1 B40109 [1,0,0,0,0,0|2,0,1]=4 106 B9R1.35 OB(O)C1=CC=C(Br)S1 B1958 [1,0,0,0,0,0|1,1,1]=4 107 B9R1.35 OB(O)C1=CC=C(Cl)S1 C2300 [1,0,0,0,0,0|1,0,1]=3 108 B11R1.48 CCN1N=C(C(=O)O)C=C1C E43665 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.48 COC1=CC(C(=O)O)=NN1C M43248 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.226 COC(=O)C1=CC(Br)=C(Br)O1 M42328 [0,1,0,0,0,0|1,2,0]=4 111 B11R1.226 COC(=O)C1=CC(Br)=C(Cl)S1 M66824 [0,1,0,0,0,0|1,0,0]=2 112 B11R1.226 COC(=O)C1=CC(Cl)=C(Cl)S1 M42320 [0,1,0,0,0,0|1,0,0]=2 113 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 B52032 [0,0,0,0,0,1|2,1,0]=4 114 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=C1 B52034 [0,0,0,0,0,1|2,1,0]=4 115 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=N1 B63831 [0,0,0,0,0,1|2,1,0]=4 116 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 C52042 [0,0,0,0,0,1|2,0,0]=3 117 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 F28728 [0,0,0,0,0,1|2,1,0]=4 118 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 B48245 [0,0,0,0,0,1|3,0,0]=4 119 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 C61119 [0,0,0,0,0,1|2,0,0]=3 120 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 D39476 [0,0,0,0,0,1|3,0,0]=4 121 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 C48274 [0,0,0,0,0,1|3,0,0]=4 122 B11R1.21 CC(=O)C1=CC(F)=C(Cl)C=C1 C69014 [0,0,0,0,0,1|3,0,0]=4 123 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 A50026 [0,0,0,0,0,1|3,0,0]=4 124 B11R1.21 CC(=O)C1=CC(N)=C(Cl)C=C1 A49040 [0,0,0,0,0,1|3,0,0]=4 125 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 C49042 [0,0,0,0,0,1|2,0,0]=3 126 B11R1.21 CC(=O)C1=CN=C(Cl)C(Cl)=C1 D37474 [0,0,0,0,0,1|3,0,0]=4 127 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 B48570 [0,0,0,0,0,1|1,1,0]=3 128 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=N1 B64856 [0,0,0,0,0,1|1,1,0]=3 129 B11R1.21 CC1=C(Br)C=C(C(=O)O)N=C1 B32388 [0,0,0,0,0,1|1,1,0]=3 130 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 B38437 [0,0,0,0,0,1|1,1,0]=3 131 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=N1 B37042 [0,0,0,0,0,1|2,1,0]=4 132 B11R1.21 CC1=C(Br)C=NC(C(=O)O)=C1 B45347 [0,0,0,0,0,1|1,1,0]=3 133 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 D69089 [0,0,0,0,0,1|2,0,0]=3 134 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 D49279 [0,0,0,0,0,1|2,0,0]=3 135 B11R1.21 CC1=C(C)N=C(C(=O)O)C=N1 D46015 [0,0,0,0,0,1|2,0,0]=3 136 B11R1.21 CC1=C(Cl)C=C(B(O)O)C=C1 C2226 [0,0,0,0,0,1|2,0,1]=4 137 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 C48593 [0,0,0,0,0,1|1,0,0]=2 138 B11R1.21 CC1=C(Cl)C=C(C(=O)O)N=C1 C26055 [0,0,0,0,0,1|1,0,0]=2 139 B11R1.21 CC1=C(Cl)C=C([N+](=O)[O-])C=N1 C42406 [0,0,0,0,0,1|2,0,1]=4 140 B11R1.21 CC1=C(Cl)C=CC(B(O)O)=C1 C2229 [0,0,0,0,0,1|2,0,1]=4 141 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 C39491 [0,0,0,0,0,1|1,0,0]=2 142 B11R1.21 CC1=C(Cl)C=CC([N+](=O)[O-])=C1 C18675 [0,0,0,0,0,1|2,0,1]=4 143 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 F48613 [0,0,0,0,0,1|1,1,0]=3 144 B11R1.21 CC1=C(F)C=C(C(=O)O)C=N1 F61560 [0,0,0,0,0,1|1,1,0]=3 145 B11R1.21 CC1=C(F)C=C(C(=O)O)N=C1 F62992 [0,0,0,0,0,1|1,1,0]=3 146 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 F39495 [0,0,0,0,0,1|1,1,0]=3 147 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 F37719 [0,0,0,0,0,1|2,1,0]=4 148 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 K25553 [0,0,0,0,0,1|1,1,0]=3 149 B11R1.21 CC1=C(I)C=CC(C(=O)O)=C1 K63515 [0,0,0,0,0,1|1,1,0]=3 150 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 A39517 [0,0,0,0,0,1|2,0,0]=3 151 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 H49095 [0,0,0,0,0,1|2,0,0]=3 152 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 H49097 [0,0,0,0,0,1|2,0,0]=3 153 B11R1.21 CC1=CC(B(O)O)=CN=C1Cl C4839 [0,0,0,0,0,1|2,0,1]=4 154 B11R1.21 CC1=CC(C(=O)O)=CN=C1Cl C45358 [0,0,0,0,0,1|1,0,0]=2 155 B11R1.21 CC1=CC(C(=O)O)=CNC1=O M45851 [0,0,0,0,0,1|2,0,0]=3 156 B11R1.21 CC1=CC([N+](=O)[O-])=CN=C1Cl C11818 [0,0,0,0,0,1|2,0,1]=4 157 B11R1.21 CC1=CC=C(C(=O)O)N=C1Br B37453 [0,0,0,0,0,1|1,1,0]=3 158 B11R1.21 CC1=CC=C(C(=O)O)N=C1Cl C32429 [0,0,0,0,0,1|1,0,0]=2 159 B11R1.21 CC1=NC(C(=O)O)=CN=C1Cl C42410 [0,0,0,0,0,1|2,0,0]=3 160 B11R1.21 CC1=NC=C(C(=O)O)C=C1N A8134 [0,0,0,0,0,1|2,0,0]=3 161 B11R1.21 CC1=NC=C(C(N)=O)S[C@H]1C D43684 [0,0,0,0,0,1|2,0,1]=4 162 B11R1.21 CN1C=C(C(=O)O)C=CC1=O D7475 [0,0,0,0,0,1|3,0,0]=4 163 B11R1.21 CN1C=CC(C(=O)O)=CC1=O M0305 [0,0,0,0,0,1|3,0,0]=4 164 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 A45330 [0,0,0,0,0,1|2,1,0]=4 165 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=N1 A21931 [0,0,0,0,0,1|2,1,0]=4 166 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 A45328 [0,0,0,0,0,1|2,1,0]=4 167 B11R1.21 NC1=C(Br)C=NC(C(=O)O)=C1 A12918 [0,0,0,0,0,1|2,1,0]=4 168 B11R1.21 NC1=C(Cl)C=C(C(=O)O)C=C1 A69418 [0,0,0,0,0,1|2,0,0]=3 169 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 A69510 [0,0,0,0,0,1|2,0,0]=3 170 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=N1 A42403 [0,0,0,0,0,1|3,0,0]=4 171 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 A45379 [0,0,0,0,0,1|2,1,0]=4 172 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 A45377 [0,0,0,0,0,1|2,1,0]=4 173 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 A45396 [0,0,0,0,0,1|2,1,0]=4 174 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 A45395 [0,0,0,0,0,1|2,1,0]=4 175 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 A67467 [0,0,0,0,0,1|3,0,0]=4 176 B11R1.21 NC1=CC(C(=O)O)=CN=C1N D43100 [0,0,0,0,0,1|3,0,0]=4 177 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br A1664 [0,0,0,0,0,1|2,1,0]=4 178 B11R1.21 NC1=NC=C(C(=O)O)N=C1I A14604 [0,0,0,0,0,1|2,1,0]=4 179 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 H38960 [0,0,0,0,0,1|3,0,0]=4 180 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 D36700 [0,0,0,0,0,1|2,1,0]=4 181 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 B44568 [0,0,0,0,0,1|2,0,0]=3 182 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)N=C1 B3744 [0,0,0,0,0,1|2,0,0]=3 183 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 B39336 [0,0,0,0,0,1|2,1,0]=4 184 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 B44584 [0,0,0,0,0,1|2,1,0]=4 185 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 B3783 [0,0,0,0,0,1|2,1,0]=4 186 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 B44571 [0,0,0,0,0,1|2,0,0]=3 187 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=N1 B32007 [0,0,0,0,0,1|2,0,0]=3 188 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=N1 D41928 [0,0,0,0,0,1|2,0,0]=3 189 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 C44591 [0,0,0,0,0,1|2,0,0]=3 190 B11R1.21 O=C(O)C1=CC(Cl)=C(I)C=C1 C38946 [0,0,0,0,0,1|2,0,0]=3 191 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 C62141 [0,0,0,0,0,1|2,0,0]=3 192 B11R1.21 O=C(O)C1=CC(F)=C(Br)C=C1 B44576 [0,0,0,0,0,1|2,1,0]=4 193 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 C37845 [0,0,0,0,0,1|2,0,0]=3 194 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 D68133 [0,0,0,0,0,1|2,1,0]=4 195 B11R1.21 O=C(O)C1=CC(F)=C(I)C=C1 F36867 [0,0,0,0,0,1|2,1,0]=4 196 B11R1.21 O=C(O)C1=CC(F)=C(O)C=C1 F68105 [0,0,0,0,0,1|2,1,0]=4 197 B11R1.21 O=C(O)C1=CC(I)=C(Br)C=C1 B67829 [0,0,0,0,0,1|2,1,0]=4 198 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 C44602 [0,0,0,0,0,1|2,0,0]=3 199 B11R1.21 O=C(O)C1=CC(I)=C(Cl)N=C1 C41944 [0,0,0,0,0,1|2,0,0]=3 200 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 F44617 [0,0,0,0,0,1|2,1,0]=4 201 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 B45113 [0,0,0,0,0,1|2,1,0]=4 202 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 C38513 [0,0,0,0,0,1|2,0,0]=3 203 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 F24023 [0,0,0,0,0,1|2,1,0]=4 204 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 H45126 [0,0,0,0,0,1|2,1,0]=4 205 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=N1 D41898 [0,0,0,0,0,1|2,1,0]=4 206 B11R1.21 O=C(O)C1=CC=C(Cl)C(=O)N1 C42277 [0,0,0,0,0,1|3,0,0]=4 207 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=N1 B41907 [0,0,0,0,0,1|2,1,0]=4 208 B11R1.21 O=C(O)C1=CC=C(Cl)C(Cl)=N1 D32272 [0,0,0,0,0,1|2,0,0]=3 209 B11R1.21 O=C(O)C1=CC=C(F)C(Br)=N1 B16286 [0,0,0,0,0,1|2,1,0]=4 210 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=N1 C36953 [0,0,0,0,0,1|2,0,0]=3 211 B11R1.21 O=C(O)C1=CN=C(Br)C(Br)=C1 D41897 [0,0,0,0,0,1|2,1,0]=4 212 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 B15602 [0,0,0,0,0,1|2,1,0]=4 213 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 D15565 [0,0,0,0,0,1|2,0,0]=3 214 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=N1 D40472 [0,0,0,0,0,1|2,0,0]=3 215 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 D11881 [0,0,0,0,0,1|2,1,0]=4 216 B11R1.21 O=C(O)C1=NC(O)=C(Br)C=C1 B37386 [0,0,0,0,0,1|3,0,0]=4 217 B11R1.74 CC(=O)C1=CC(Br)=CC(Cl)=C1 B20352 [0,0,0,0,0,1|3,0,0]=4 218 B11R1.74 CC(=O)C1=CC(C)=CC(Br)=C1 B52033 [0,0,0,0,0,1|2,1,0]=4 219 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 D52785 [0,0,0,0,0,1|3,0,0]=4 220 B11R1.74 CC(=O)C1=CC(Cl)=CC(Cl)=C1 D48272 [0,0,0,0,0,1|3,0,0]=4 221 B11R1.74 CC(=O)C1=CC(O)=CC(C)=C1 H49902 [0,0,0,0,0,1|3,0,0]=4 222 B11R1.74 CC1=CC(B(O)O)=CC(Cl)=C1 C46239 [0,0,0,0,0,1|2,0,1]=4 223 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=C1 B48571 [0,0,0,0,0,1|1,1,0]=3 224 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=N1 B63466 [0,0,0,0,0,1|1,1,0]=3 225 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 D24167 [0,0,0,0,0,1|2,0,0]=3 226 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 C14183 [0,0,0,0,0,1|1,0,0]=2 227 B11R1.74 CC1=CC(C(=O)O)=CC(N)=C1 A49283 [0,0,0,0,0,1|2,0,0]=3 228 B11R1.74 CC1=CC(C(=O)O)=CC(N)=N1 A12069 [0,0,0,0,0,1|2,0,0]=3 229 B11R1.74 CC1=CC(C(=O)O)=CC(O)=C1 H49096 [0,0,0,0,0,1|2,0,0]=3 230 B11R1.74 CC1=CC(C(=O)O)=CC(O)=N1 H45844 [0,0,0,0,0,1|2,0,0]=3 231 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=C1 C48594 [0,0,0,0,0,1|1,0,0]=2 232 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 C45370 [0,0,0,0,0,1|2,0,0]=3 233 B11R1.74 CC1=CC(Cl)=CC([N+](=O)[O-])=C1 C45359 [0,0,0,0,0,1|2,0,1]=4 234 B11R1.74 CC1=CC(Cl)=NC(C(=O)O)=C1 C45368 [0,0,0,0,0,1|1,0,0]=2 235 B11R1.74 CC1=CC(F)=CC(C(=O)O)=C1 F48614 [0,0,0,0,0,1|1,1,0]=3 236 B11R1.74 CC1=CC(I)=CC(C(=O)O)=C1 K48633 [0,0,0,0,0,1|1,1,0]=3 237 B11R1.74 CC1=NC(C(=O)O)=CC(=O)N1 M61613 [0,0,0,0,0,1|3,0,0]=4 238 B11R1.74 NC(=O)C1=CC(Cl)=CC(F)=C1 C45049 [0,0,0,0,0,1|3,0,0]=4 239 B11R1.74 NC1=CC(C(=O)O)=CC(Br)=C1 A45329 [0,0,0,0,0,1|2,1,0]=4 240 B11R1.74 NC1=CC(C(=O)O)=CC(Cl)=C1 A45354 [0,0,0,0,0,1|2,0,0]=3 241 B11R1.74 NC1=CC(C(=O)O)=CC(F)=C1 A38712 [0,0,0,0,0,1|2,1,0]=4 242 B11R1.74 NC1=CC(C(=O)O)=CC(O)=C1 A46552 [0,0,0,0,0,1|3,0,0]=4 243 B11R1.74 O=C(Cl)C1=NC(Cl)=NC(Cl)=C1 D41286 [0,0,0,0,0,1|3,0,0]=4 244 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 D39333 [0,0,0,0,0,1|2,1,0]=4 245 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=C1 B44569 [0,0,0,0,0,1|2,0,0]=3 246 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=N1 B32412 [0,0,0,0,0,1|2,0,0]=3 247 B11R1.74 O=C(O)C1=CC(Br)=CC(F)=C1 B44575 [0,0,0,0,0,1|2,1,0]=4 248 B11R1.74 O=C(O)C1=CC(Br)=CC(O)=C1 B68739 [0,0,0,0,0,1|2,1,0]=4 249 B11R1.74 O=C(O)C1=CC(Br)=NC(Br)=C1 D11893 [0,0,0,0,0,1|2,1,0]=4 250 B11R1.74 O=C(O)C1=CC(Cl)=CC(Br)=N1 B32061 [0,0,0,0,0,1|2,1,0]=4 251 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=C1 D64931 [0,0,0,0,0,1|2,0,0]=3 252 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=N1 D26222 [0,0,0,0,0,1|2,0,0]=3 253 B11R1.74 O=C(O)C1=CC(Cl)=CC(F)=C1 C44592 [0,0,0,0,0,1|2,0,0]=3 254 B11R1.74 O=C(O)C1=CC(Cl)=CC(O)=C1 C45119 [0,0,0,0,0,1|2,0,0]=3 255 B11R1.74 O=C(O)C1=CC(F)=CC(F)=C1 D68859 [0,0,0,0,0,1|2,1,0]=4 256 B11R1.74 O=C(O)C1=CC(F)=CC(O)=C1 F45123 [0,0,0,0,0,1|2,1,0]=4 257 B11R1.74 O=C(O)C1=CC(F)=NC(F)=C1 D10069 [0,0,0,0,0,1|2,1,0]=4 258 B11R1.74 O=C(O)C1=CC(I)=CC(Br)=C1 B44585 [0,0,0,0,0,1|2,1,0]=4 259 B11R1.74 O=C(O)C1=CC(I)=CC(Cl)=C1 C44600 [0,0,0,0,0,1|2,0,0]=3 260 B11R1.74 O=C(O)C1=CC(I)=CC(F)=C1 F36855 [0,0,0,0,0,1|2,1,0]=4 261 B11R1.74 O=C(O)C1=CC(I)=CC(I)=C1 D44618 [0,0,0,0,0,1|2,1,0]=4 262 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=N1 D40474 [0,0,0,0,0,1|3,0,0]=4 263 B11R1.74 O=C1C=C(C(=O)O)C=C(Cl)N1 C42278 [0,0,0,0,0,1|2,0,0]=3 264 B8R1.1 CC1=CC(C=O)=CS1 M29797 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.1 CC1=CC(C=O)=NN1 M41030 [2,0,0,0,0,0|2,0,0]=4 266 B8R1.1 CC1=CC=C(C=O)N1 M43134 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.1 CC1=CC=C(C=O)S1 M39272 [2,0,0,0,0,0|1,0,0]=3 268 B8R1.1 CC1=CN=C(C=O)S1 M19270 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.1 CC1=COC(C=O)=C1 M13538 [2,0,0,0,0,0|0,1,0]=3 270 B8R1.1 CC1=COC(C=O)=N1 M12937 [2,0,0,0,0,0|1,1,0]=4 271 B8R1.1 CC1=CSC(C=O)=C1 M42959 [2,0,0,0,0,0|0,0,0]=2 272 B8R1.1 CC1=CSC(C=O)=N1 M14992 [2,0,0,0,0,0|1,0,0]=3 273 B8R1.1 CC1=NC=C(C=O)S1 F2897 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.1 CN1C=NC(C=O)=C1 M11287 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.1 ClCC1=CC=C(Cl)S1 C40699 [2,0,0,0,0,0|1,0,1]=4 276 B8R1.1 N#CC1=CC=C(Cl)S1 C7716 [2,0,0,0,0,0|1,0,1]=4 277 B8R1.1 NC1=NC=C(C=O)S1 A2114 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.1 NC1=NC=C(C=O)S1 A40321 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.1 NCC1=CC=C(Cl)S1 A12836 [2,0,0,0,0,0|1,0,1]=4 280 B8R1.1 NCC1=CC=C(Cl)S1 C27089 [2,0,0,0,0,0|1,0,1]=4 281 B8R1.1 O=CC1=CC(Br)=CN1 B38751 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.1 O=CC1=CC(Br)=CO1 B13537 [2,0,0,0,0,0|1,1,0]=4 283 B8R1.1 O=CC1=CC(Br)=CS1 B12758 [2,0,0,0,0,0|1,0,0]=3 284 B8R1.1 O=CC1=CC(Cl)=CN1 C14574 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.1 O=CC1=CC(Cl)=CS1 C12489 [2,0,0,0,0,0|1,0,0]=3 286 B8R1.1 O=CC1=CC(I)=CN1 K40861 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.1 O=CC1=CC(I)=CS1 K40696 [2,0,0,0,0,0|1,0,0]=3 288 B8R1.1 O=CC1=CC=C(Br)N1 B67724 [2,0,0,0,0,0|1,1,0]=4 289 B8R1.1 O=CC1=CC=C(Br)O1 B67849 [2,0,0,0,0,0|0,2,0]=4 290 B8R1.1 O=CC1=CC=C(Br)S1 B10476 [2,0,0,0,0,0|0,1,0]=3 291 B8R1.1 O=CC1=CC=C(Cl)O1 C38278 [2,0,0,0,0,0|0,1,0]=3 292 B8R1.1 O=CC1=CC=C(Cl)S1 C7717 [2,0,0,0,0,0|0,0,0]=2 293 B8R1.1 O=CC1=CN=C(Br)S1 B2119 [2,0,0,0,0,0|1,1,0]=4 294 B8R1.1 O=CC1=CN=C(Cl)S1 C5784 [2,0,0,0,0,0|1,0,0]=3 295 B8R1.1 O=CC1=CSC(Cl)=C1 C1739 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.1 O=CC1=CSC(Cl)=N1 C2764 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.1 O=CC1=NC(Br)=CS1 B2070 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.1 O=CC1=NC=C(Br)S1 B2465 [2,0,0,0,0,0|1,1,0]=4 299 B8R1.1 O=CC1=NC=C(Cl)S1 C9512 [2,0,0,0,0,0|1,0,0]=3 300 B8R1.1 OCC1=CC(Br)=CS1 B12759 [2,0,0,0,0,0|1,0,1]=4 301 B8R1.1 OCC1=CC(Cl)=CS1 C7722 [2,0,0,0,0,0|1,0,1]=4 302 B8R1.1 OCC1=CC=C(Br)S1 B12756 [2,0,0,0,0,0|0,1,1]=4 303 B8R1.1 OCC1=CC=C(Br)S1 B41016 [2,0,0,0,0,0|0,1,1]=4 304 B8R1.1 OCC1=CC=C(Cl)S1 C1567 [2,0,0,0,0,0|0,0,1]=3 305 B8R1.1 OCC1=CC=C(F)S1 F8123 [2,0,0,0,0,0|0,1,1]=4 306 B8R1.1 OCC1=CN=C(Cl)S1 C2061 [2,0,0,0,0,0|1,0,1]=4 307 B8R1.1 OCC1=NC=C(Cl)S1 C13054 [2,0,0,0,0,0|1,0,1]=4 308 B8R1.18 CC1=C(Br)SC(Br)=C1 D40697 [2,0,0,0,0,0|1,1,0]=4 309 B8R1.18 CC1=C(Cl)SC(Cl)=C1 D40698 [2,0,0,0,0,0|1,0,0]=3 310 B8R1.18 CC1=C(Cl)SC(N)=N1 A2766 [2,0,0,0,0,0|2,0,0]=4 311 B8R1.18 CC1=CC(=O)OC1=O C60582 [2,0,0,0,0,0|1,1,0]=4 312 B8R1.7 CC(=O)C1=CC=CN1 P68619 [2,0,0,0,0,0|2,0,0]=4 313 B8R1.7 CC(=O)C1=CC=CS1 A69304 [2,0,0,0,0,0|1,0,0]=3 314 B8R1.7 CC(=O)C1=NC=CS1 A22587 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.7 NC(=O)C1=NC=CS1 T61005 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.7 NC(=S)C1=CC=CS1 T41010 [2,0,0,0,0,0|1,1,0]=4 317 B8R1.7 O=C(Cl)C1=CC=CS1 T10056 [2,0,0,0,0,0|1,0,0]=3 318 B8R1.7 O=C(O)C1=CC=CN1 P24658 [2,0,0,0,0,0|1,0,0]=3 319 B8R1.7 O=C(O)C1=CC=CO1 F38499 [2,0,0,0,0,0|0,1,0]=3 320 B8R1.7 O=C(O)C1=CC=CS1 T69312 [2,0,0,0,0,0|0,0,0]=2 321 B8R1.7 O=C(O)C1=CC=NO1 K40064 [2,0,0,0,0,0|1,1,0]=4 322 B8R1.7 O=C(O)C1=CC=NS1 T40063 [2,0,0,0,0,0|1,0,0]=3 323 B8R1.7 O=C(O)C1=CN=CO1 O9363 [2,0,0,0,0,0|1,1,0]=4 324 B8R1.7 O=C(O)C1=CN=CS1 T2164 [2,0,0,0,0,0|1,0,0]=3 325 B8R1.7 O=C(O)C1=COC=C1 F14351 [2,0,0,0,0,0|2,0,0]=4 326 B8R1.7 O=C(O)C1=COC=N1 X9342 [2,0,0,0,0,0|2,0,0]=4 327 B8R1.7 O=C(O)C1=CSC=C1 T12825 [2,0,0,0,0,0|2,0,0]=4 328 B8R1.7 O=C(O)C1=CSC=N1 T2163 [2,0,0,0,0,0|2,0,0]=4 329 B8R1.7 O=C(O)C1=NC=CN1 I37951 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.7 O=C(O)C1=NC=CS1 T9224 [2,0,0,0,0,0|1,0,0]=3 331 B8R1.7 O=C(O)C1=NNC=C1 P9459 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.7 O=C(O)C1=NOC=C1 I12360 [2,0,0,0,0,0|2,0,0]=4 333 B8R1.7 O=C(O)C1=NSC=C1 I6110 [2,0,0,0,0,0|2,0,0]=4 334 B8R1.7 O=C([O-])C1=CC=CS1 C2751 [2,0,0,0,0,0|0,0,1]=3 335 B8R1.7 O=C([O-])C1=CC=CS1 C41403 [2,0,0,0,0,0|0,0,1]=3 336 B10R1.14 COC(=O)C1=CC(Br)=CN1 M12023 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.14 COC(=O)C1=CC(Br)=CO1 M42715 [1,1,0,0,0,0|1,1,0]=4 338 B10R1.14 COC(=O)C1=CC(Br)=CS1 M7697 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.14 COC(=O)C1=CC(C)=NO1 M43162 [1,1,0,0,0,0|1,1,0]=4 340 B10R1.14 COC(=O)C1=CC(Cl)=CS1 M14084 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.14 COC(=O)C1=CC(F)=CS1 M42707 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.14 COC(=O)C1=CC(N)=CS1 M43154 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.14 COC(=O)C1=CC=C(Br)N1 M9622 [1,1,0,0,0,0|1,1,0]=4 344 B10R1.14 COC(=O)C1=CC=C(Br)O1 M42716 [1,1,0,0,0,0|0,2,0]=4 345 B10R1.14 COC(=O)C1=CC=C(Br)S1 M7698 [1,1,0,0,0,0|0,1,0]=3 346 B10R1.14 COC(=O)C1=CC=C(C)N1 M46412 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.14 COC(=O)C1=CC=C(C)O1 M46254 [1,1,0,0,0,0|1,1,0]=4 348 B10R1.14 COC(=O)C1=CC=C(Cl)S1 M66823 [1,1,0,0,0,0|0,0,0]=2 349 B10R1.14 COC(=O)C1=CC=C(I)S1 M42708 [1,1,0,0,0,0|0,1,0]=3 350 B10R1.14 COC(=O)C1=CC=C(N)O1 A11105 [1,1,0,0,0,0|1,1,0]=4 351 B10R1.14 COC(=O)C1=CC=C(N)S1 M9979 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.14 COC(=O)C1=CN(C)C=N1 M29723 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.14 COC(=O)C1=CN=C(Br)S1 M2155 [1,1,0,0,0,0|1,1,0]=4 354 B10R1.14 COC(=O)C1=CN=C(Cl)O1 M2777 [1,1,0,0,0,0|1,1,0]=4 355 B10R1.14 COC(=O)C1=CN=C(Cl)S1 M2695 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.14 COC(=O)C1=CN=C(N)S1 M2153 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.14 COC(=O)C1=COC(C)=C1 M46255 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.14 COC(=O)C1=COC(Cl)=N1 M2706 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.14 COC(=O)C1=CSC(Cl)=C1 M1606 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.14 COC(=O)C1=CSC(Cl)=N1 M2986 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.14 COC(=O)C1=NC(Br)=CS1 M8686 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.14 COC(=O)C1=NC(C)=CS1 M43155 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.14 COC(=O)C1=NC=C(Br)S1 M17507 [1,1,0,0,0,0|1,1,0]=4 364 B10R1.14 COC(=O)C1=NC=C(C)O1 M17998 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.14 COC(=O)C1=NC=C(C)S1 M43156 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.14 COC(=O)C1=NC=C(N)S1 M14283 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.14 COC(=O)C1=NNC(C)=C1 M9723 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.31 CC(=O)C1=CC=C(C=O)S1 A45521 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.31 CCC1=CSC(C(=O)O)=N1 E43152 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.31 COC1=CN=C(C(=O)O)O1 M41003 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.31 N#CC1=CC=C(C(=O)O)O1 C41961 [1,1,0,0,0,0|1,1,0]=4 372 B10R1.31 N#CC1=COC(C(=O)O)=C1 C41960 [1,1,0,0,0,0|0,1,1]=4 373 B10R1.31 N#CC1=CSC(C(=O)O)=C1 C41959 [1,1,0,0,0,0|0,0,1]=3 374 B10R1.31 O=C(O)C1=CC(CO)=NN1 H37123 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.31 O=CC1=CC=C(C(=O)O)O1 F42334 [1,1,0,0,0,0|1,1,0]=4 376 B10R1.31 O=CC1=CC=C(C(=O)O)S1 F60808 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.55 O=S(=O)(Cl)C1=CC=C(Cl)S1 C12835 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 B40834 [1,1,0,0,0,0|1,1,0]=4 379 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 A41039 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 D62561 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 P64574 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 D43157 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 D3961 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.59 CN1C=C(Br)C=C1C(=O)O B42854 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.59 O=C(O)C1=C(Br)C=C(Cl)S1 B40550 [1,1,0,0,0,0|0,0,0]=2 386 B10R1.59 O=C(O)C1=C(Br)N=C(Br)S1 D37488 [1,1,0,0,0,0|1,1,0]=4 387 B10R1.59 O=C(O)C1=C(Cl)C=C(Cl)S1 D62978 [1,1,0,0,0,0|0,0,0]=2 388 B10R1.59 O=C(O)C1=C(Cl)N=C(Cl)S1 D40287 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.59 O=C(O)C1=C(Cl)SC(Cl)=C1 D15392 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.59 O=C(O)C1=C(Cl)SC(Cl)=N1 D40288 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.59 O=C(O)C1=C(F)C=C(Br)S1 B40552 [1,1,0,0,0,0|0,1,0]=3 392 B10R1.194 CC1=C(C(=O)O)C=CN1C D46413 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.194 CC1=C(C(=O)O)N=CN1C D43231 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.194 CC1=C(N)C(C(=O)O)=CS1 A43159 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.194 CC1=CNC(C(=O)O)=C1C D0626 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.194 CC1=CSC(C(=O)O)=C1C D46250 [1,1,0,0,0,0|0,0,0]=2 397 B10R1.194 CC1=NNC(C(=O)O)=C1C D43229 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.194 CN1C(Br)=CC=C1C(=O)O B42855 [1,1,0,0,0,0|1,1,0]=4 399 B10R1.194 NC1=C(C(=O)O)SC=C1Br A63160 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.194 O=C(O)C1=C(Cl)C(Cl)=NS1 D69502 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.194 O=C(O)C1=C(F)C(F)=CN1 D13740 [1,1,0,0,0,0|2,0,0]=4 402 B12R1.48 C#CC1=C(C)C=C(C(=O)O)C=C1 E53795 [0,1,0,0,0,1|2,0,0]=4 403 B12R1.48 C#CC1=C(Cl)C=C(C(=O)O)C=C1 C50768 [0,1,0,0,0,1|1,0,1]=4 404 B12R1.48 CC1=C(C#N)C=CC(C(=O)O)=C1 C51177 [0,1,0,0,0,1|2,0,0]=4 405 B12R1.48 CCC1=C(Br)C=C(C(=O)O)C=C1 B36941 [0,1,0,0,0,1|1,1,0]=4 406 B12R1.48 CCC1=C(N)C=C(C(=O)O)C=C1 A50040 [0,1,0,0,0,1|2,0,0]=4 407 B12R1.48 CNC1=C(N)C=C(C(=O)O)C=C1 A46677 [0,1,0,0,0,1|2,0,0]=4 408 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 B48640 [0,1,0,0,0,1|1,1,0]=4 409 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 B45411 [0,1,0,0,0,1|1,1,0]=4 410 B12R1.48 COC1=C(C)C=C(C(=O)O)C=C1 M49918 [0,1,0,0,0,1|2,0,0]=4 411 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=C1 C36658 [0,1,0,0,0,1|1,0,0]=3 412 B12R1.48 COC1=C(Cl)C=C(C(=O)O)N=C1 C13348 [0,1,0,0,0,1|1,0,0]=3 413 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 F69026 [0,1,0,0,0,1|1,1,0]=4 414 B12R1.48 COC1=C(F)C=C(C(=O)O)C=N1 F45448 [0,1,0,0,0,1|1,1,0]=4 415 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 A69041 [0,1,0,0,0,1|2,0,0]=4 416 B12R1.48 COC1=CC=C(C(=O)O)N=C1Br B45415 [0,1,0,0,0,1|1,1,0]=4 417 B12R1.48 N#CC1=C(Cl)C=C(C(=O)O)C=C1 C47394 [0,1,0,0,0,1|1,0,1]=4 418 B12R1.48 N#CC1=CC=C(C(=O)O)N=C1Cl C38228 [0,1,0,0,0,1|1,0,1]=4 419 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 A50043 [0,1,0,0,0,1|2,0,0]=4 420 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 B48643 [0,1,0,0,0,1|1,1,0]=4 421 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 M39538 [0,1,0,0,0,1|2,0,0]=4 422 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 C48658 [0,1,0,0,0,1|1,0,0]=3 423 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=N1 C45435 [0,1,0,0,0,1|2,0,0]=4 424 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 F6994 [0,1,0,0,0,1|1,1,0]=4 425 B12R1.56 N#CC1=C(Cl)C=CC(C(=O)O)=C1 C47395 [0,1,0,0,0,1|1,0,1]=4 426 B12R1.56 O=C(O)C1=CC(CO)=C(Br)C=C1 B48647 [0,1,0,0,0,1|1,1,0]=4 427 B12R1.232 CC(=O)C1=CC(C)=C(Cl)C=C1F C63624 [0,1,0,0,0,1|2,0,0]=4 428 B12R1.232 CC1=C(Br)C=C(C(=O)O)C(Cl)=N1 B44943 [0,1,0,0,0,1|1,1,0]=4 429 B12R1.232 CC1=C(Br)C=C(C(=O)O)C(F)=C1 B48151 [0,1,0,0,0,1|1,1,0]=4 430 B12R1.232 CC1=C(Br)C=C(F)C(C(=O)O)=C1 B48150 [0,1,0,0,0,1|1,1,0]=4 431 B12R1.232 CC1=C(C)N=C(C(=O)O)C(O)=N1 H46044 [0,1,0,0,0,1|2,0,0]=4 432 B12R1.232 CC1=C(C)N=C(Cl)C(C(=O)O)=C1 C37544 [0,1,0,0,0,1|2,0,0]=4 433 B12R1.232 CC1=C(Cl)C=C(N)C(C(=O)O)=C1 A65831 [0,1,0,0,0,1|1,0,0]=3 434 B12R1.232 CC1=CC(Br)=C(C(=O)O)C=C1F B48146 [0,1,0,0,0,1|1,1,0]=4 435 B12R1.232 CC1=CC(Br)=C(C(=O)O)C=C1N A48930 [0,1,0,0,0,1|2,0,0]=4 436 B12R1.232 CC1=CC(C(=O)O)=C(Br)C=C1F B48144 [0,1,0,0,0,1|1,1,0]=4 437 B12R1.232 CC1=CC(C(=O)O)=C(C)C=C1N A50067 [0,1,0,0,0,1|2,0,0]=4 438 B12R1.232 CC1=CC(C(=O)O)=C(F)C=C1F D48193 [0,1,0,0,0,1|1,1,0]=4 439 B12R1.232 CC1=CC(C)=C(Br)C=C1C(=O)O B67324 [0,1,0,0,0,1|1,1,0]=4 440 B12R1.232 CC1=CC(Cl)=C(Cl)C=C1C(=O)O D48163 [0,1,0,0,0,1|2,0,0]=4 441 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1F D48194 [0,1,0,0,0,1|1,1,0]=4 442 B12R1.232 CC1=CC(N)=C(C(=O)O)C=C1C A50065 [0,1,0,0,0,1|2,0,0]=4 443 B12R1.232 CC1=NC(C)=C(C(N)=O)N=C1Cl C66400 [0,1,0,0,0,1|2,0,0]=4 444 B12R1.232 NC1=C(C(=O)O)N=C(Cl)C(Cl)=N1 A39058 [0,1,0,0,0,1|2,0,0]=4 445 B12R1.232 NC1=CC(Br)=C(Cl)C=C1C(=O)O A37910 [0,1,0,0,0,1|2,0,0]=4 446 B12R1.232 NC1=CC(Cl)=C(Br)C=C1C(=O)O A39023 [0,1,0,0,0,1|2,0,0]=4 447 B12R1.232 NC1=CC(Cl)=C(F)C=C1C(=O)O A67721 [0,1,0,0,0,1|2,0,0]=4 448 B12R1.232 NC1=CC(F)=C(Cl)C=C1C(=O)O A44974 [0,1,0,0,0,1|2,0,0]=4 449 B12R1.232 O=C(O)C1=C(Br)N=C(Br)C(Cl)=C1 D41718 [0,1,0,0,0,1|2,0,0]=4 450 B12R1.232 O=C(O)C1=C(Cl)C=C(Cl)C(Cl)=N1 T41745 [0,1,0,0,0,1|2,0,0]=4 451 B12R1.232 O=C(O)C1=C(Cl)N=C(Cl)C(Cl)=C1 T41744 [0,1,0,0,0,1|2,0,0]=4 452 B12R1.232 O=C(O)C1=C(Cl)N=C(Cl)C(F)=C1 D39215 [0,1,0,0,0,1|2,0,0]=4 453 B12R1.232 O=C(O)C1=CC(Br)=C(Cl)C=C1F B22852 [0,1,0,0,0,1|2,0,0]=4 454 B12R1.232 O=C(O)C1=CC(Cl)=C(Br)C=C1Cl B38727 [0,1,0,0,0,1|2,0,0]=4 455 B12R1.232 O=C(O)C1=CC(Cl)=C(Br)C=C1F B37657 [0,1,0,0,0,1|2,0,0]=4 456 B12R1.232 O=C(O)C1=CC(Cl)=C(Cl)C=C1Cl T44208 [0,1,0,0,0,1|2,0,0]=4 457 B12R1.232 O=C(O)C1=CC(Cl)=C(Cl)C=C1F D69529 [0,1,0,0,0,1|2,0,0]=4 458 B12R1.232 O=C(O)C1=CC(Cl)=C(F)C=C1F C44216 [0,1,0,0,0,1|2,0,0]=4 459 B12R1.232 O=C(O)C1=CC(F)=C(Cl)C=C1Cl D44205 [0,1,0,0,0,1|2,0,0]=4 460 B12R1.367 CC1=C(Cl)C=C(\C(C)=N/O)C=C1 C61120 [0,1,0,0,0,1|2,0,0]=4 461 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=C1 M51896 [0,1,0,0,0,1|1,1,0]=4 462 B12R1.367 COC(=O)C1=CC(Br)=C(Cl)C=C1 M48123 [0,1,0,0,0,1|2,0,0]=4 463 B12R1.367 COC(=O)C1=CC(Br)=C(Cl)N=C1 M44940 [0,1,0,0,0,1|2,0,0]=4 464 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 M51899 [0,1,0,0,0,1|1,1,0]=4 465 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=N1 M26172 [0,1,0,0,0,1|1,1,0]=4 466 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 M51925 [0,1,0,0,0,1|1,0,0]=3 467 B12R1.367 COC(=O)C1=CC(C)=C(F)C=C1 M51943 [0,1,0,0,0,1|1,1,0]=4 468 B12R1.367 COC(=O)C1=CC(C)=C(I)C=C1 M51963 [0,1,0,0,0,1|1,1,0]=4 469 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 M9471 [0,1,0,0,0,1|2,0,0]=4 470 B12R1.367 COC(=O)C1=CC(C)=C(O)C=C1 M49925 [0,1,0,0,0,1|2,0,0]=4 471 B12R1.367 COC(=O)C1=CC(Cl)=C(Br)C=C1 M61234 [0,1,0,0,0,1|2,0,0]=4 472 B12R1.367 COC(=O)C1=CC(Cl)=C(C)C=N1 M16577 [0,1,0,0,0,1|1,0,0]=3 473 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)C=N1 M44958 [0,1,0,0,0,1|2,0,0]=4 474 B12R1.367 COC(=O)C1=CC(Cl)=C(F)C=C1 M48165 [0,1,0,0,0,1|2,0,0]=4 475 B12R1.367 COC(=O)C1=CC(Cl)=C(N)C=C1 M48942 [0,1,0,0,0,1|2,0,0]=4 476 B12R1.367 COC(=O)C1=CC(Cl)=C(O)C=C1 M48662 [0,1,0,0,0,1|2,0,0]=4 477 B12R1.367 COC(=O)C1=CC(F)=C(C)C=C1 M51942 [0,1,0,0,0,1|1,1,0]=4 478 B12R1.367 COC(=O)C1=CC(F)=C(Cl)C=C1 M48168 [0,1,0,0,0,1|2,0,0]=4 479 B12R1.367 COC(=O)C1=CC(I)=C(C)C=C1 M51961 [0,1,0,0,0,1|1,1,0]=4 480 B12R1.367 COC(=O)C1=CC(I)=C(Cl)C=C1 M63038 [0,1,0,0,0,1|2,0,0]=4 481 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 M9472 [0,1,0,0,0,1|2,0,0]=4 482 B12R1.367 COC(=O)C1=CC(N)=C(Cl)C=C1 M68943 [0,1,0,0,0,1|2,0,0]=4 483 B12R1.367 COC(=O)C1=CC(O)=C(Cl)C=C1 M48664 [0,1,0,0,0,1|2,0,0]=4 484 B12R1.367 COC(=O)C1=CC=C(C)C(Br)=N1 M48920 [0,1,0,0,0,1|1,1,0]=4 485 B12R1.367 COC(=O)C1=CC=C(C)C(Cl)=N1 M48950 [0,1,0,0,0,1|1,0,0]=3 486 B12R1.367 COC(=O)C1=CC=C(Cl)C(Cl)=N1 M37389 [0,1,0,0,0,1|2,0,0]=4 487 B12R1.367 COC(=O)C1=CC=C(F)C(Cl)=N1 M44972 [0,1,0,0,0,1|2,0,0]=4 488 B12R1.367 COC(=O)C1=CN=C(Br)C(C)=C1 M37456 [0,1,0,0,0,1|1,1,0]=4 489 B12R1.367 COC(=O)C1=CN=C(C)C(Br)=N1 M45644 [0,1,0,0,0,1|1,1,0]=4 490 B12R1.367 COC(=O)C1=CN=C(Cl)C(C)=C1 M48949 [0,1,0,0,0,1|1,0,0]=3 491 B12R1.367 COC(=O)C1=CN=C(Cl)C(C)=N1 M25326 [0,1,0,0,0,1|2,0,0]=4 492 B12R1.367 COC(=O)C1=CN=C(Cl)C(Cl)=C1 M44959 [0,1,0,0,0,1|2,0,0]=4 493 B12R1.367 COC(=O)C1=CN=C(Cl)C(N)=C1 M45653 [0,1,0,0,0,1|2,0,0]=4 494 B12R1.367 COC(=O)C1=CN=C(Cl)C(O)=C1 M39050 [0,1,0,0,0,1|2,0,0]=4 495 B12R1.367 COC(=O)C1=CN=C(N)C(C)=C1 M63585 [0,1,0,0,0,1|2,0,0]=4 496 B12R1.367 COC(=O)C1=NC(Cl)=C(Br)C=C1 M44941 [0,1,0,0,0,1|2,0,0]=4 497 B12R1.367 COC(=O)C1=NC=C(N)C(C)=C1 M8118 [0,1,0,0,0,1|2,0,0]=4 498 B12R1.893 CC1=C(Br)C=CC(C(=O)O)=C1F B48149 [0,1,0,0,0,1|1,1,0]=4 499 B12R1.893 CC1=C(Br)C=CC(C(=O)O)=C1N A48927 [0,1,0,0,0,1|1,1,0]=4 500 B12R1.893 CC1=C(C)C(I)=C(C(=O)O)C=C1 K51965 [0,1,0,0,0,1|2,0,0]=4 501 B12R1.893 CC1=C(C)C(N)=C(C(=O)O)C=C1 A50064 [0,1,0,0,0,1|2,0,0]=4 502 B12R1.893 CC1=C(Cl)C=CC(C(=O)O)=C1Cl D38773 [0,1,0,0,0,1|1,0,0]=3 503 B12R1.893 CC1=C(Cl)C=CC(C(=O)O)=C1F C38357 [0,1,0,0,0,1|1,0,0]=3 504 B12R1.893 CC1=C(F)C=CC(C(=O)O)=C1F D48192 [0,1,0,0,0,1|1,1,0]=4 505 B12R1.893 CC1=C(F)C=CC(C(=O)O)=C1N A48977 [0,1,0,0,0,1|1,1,0]=4 506 B12R1.893 CC1=C(N)C=CC(C(=O)O)=C1C A50066 [0,1,0,0,0,1|2,0,0]=4 507 B12R1.893 CC1=C(N)C=CC(C(=O)O)=C1F A63436 [0,1,0,0,0,1|2,0,0]=4 508 B12R1.893 CC1=CC=C(C(=O)O)C(F)=C1F D48191 [0,1,0,0,0,1|1,1,0]=4 509 B12R1.893 NC1=C(Cl)C(Cl)=CC=C1C(=O)O A44960 [0,1,0,0,0,1|2,0,0]=4 510 B12R1.893 NC1=CC=C(C(=O)O)C(Cl)=C1Cl A44963 [0,1,0,0,0,1|2,0,0]=4 511 B12R1.893 O=C(O)C1=C(F)C(Cl)=C(Br)C=C1 B63442 [0,1,0,0,0,1|2,0,0]=4 512 B12R1.893 O=C(O)C1=C(F)C(F)=C(Cl)C=C1 C44215 [0,1,0,0,0,1|2,0,0]=4 513 B12R1.893 O=C(O)C1=CC=C(F)C(Cl)=C1Cl D44204 [0,1,0,0,0,1|2,0,0]=4 514 B12R1.893 O=C(O)C1=CC=C(F)C(Cl)=C1F C44213 [0,1,0,0,0,1|2,0,0]=4 515 B12R1.1005 CC1=C(Cl)C=C(C(=O)O)C=C1Cl D48162 [0,1,0,0,0,1|1,0,0]=3 516 B12R1.1005 CC1=C(N)C=C(C(=O)O)C=C1N D46675 [0,1,0,0,0,1|2,0,0]=4 517 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1Br B63456 [0,1,0,0,0,1|1,1,0]=4 518 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1N A69197 [0,1,0,0,0,1|2,0,0]=4 519 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1O H49927 [0,1,0,0,0,1|2,0,0]=4 520 B12R1.1005 CC1=CC(C(=O)O)=CN(C)C1=O D49343 [0,1,0,0,0,1|2,0,0]=4 521 B12R1.1005 O=C(O)C1=CC(Cl)=C(Br)C(Cl)=C1 B44193 [0,1,0,0,0,1|2,0,0]=4 522 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(Cl)=C1 T44209 [0,1,0,0,0,1|2,0,0]=4 523 B12R1.1005 O=C(O)C1=CC(Cl)=C(F)C(F)=C1 C44214 [0,1,0,0,0,1|2,0,0]=4 524 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(Cl)=C1 D44622 [0,1,0,0,0,1|2,0,0]=4 525 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(O)=C1 C45132 [0,1,0,0,0,1|2,0,0]=4 526 B12R1.11 COC1=CC(Br)=NC(C(=O)O)=C1 B45414 [0,1,0,0,0,1|1,1,0]=4 527 B12R1.11 COC1=CC(C(=O)O)=CC(Br)=C1 B48641 [0,1,0,0,0,1|1,1,0]=4 528 B12R1.11 COC1=CC(C(=O)O)=CC(Br)=N1 B38842 [0,1,0,0,0,1|1,1,0]=4 529 B12R1.11 COC1=CC(C(=O)O)=CC(Cl)=C1 C48656 [0,1,0,0,0,1|1,0,0]=3 530 B12R1.11 COC1=CC(C(=O)O)=CC(Cl)=N1 C45439 [0,1,0,0,0,1|1,0,0]=3 531 B12R1.11 COC1=CC(C(=O)O)=CC(F)=C1 F48674 [0,1,0,0,0,1|1,1,0]=4 532 B12R1.11 COC1=CC(C(=O)O)=CC(I)=C1 K48692 [0,1,0,0,0,1|1,1,0]=4 533 B12R1.11 COC1=CC(C)=CC(C(=O)O)=C1 M49914 [0,1,0,0,0,1|2,0,0]=4 534 B12R1.11 COC1=CC(Cl)=NC(C(=O)O)=C1 C38896 [0,1,0,0,0,1|1,0,0]=3 535 B12R1.11 COC1=CC(N)=CC(C(=O)O)=C1 A49319 [0,1,0,0,0,1|2,0,0]=4 536 B12R1.11 O=C(O)C1=CC(CO)=CC(F)=C1 F48686 [0,1,0,0,0,1|1,1,0]=4 537 B12R1.358 COC(=O)C1=CC(Br)=CC(Cl)=C1 M48124 [0,1,0,0,0,1|2,0,0]=4 538 B12R1.358 COC(=O)C1=CC(Br)=NC(C)=C1 M26075 [0,1,0,0,0,1|1,1,0]=4 539 B12R1.358 COC(=O)C1=CC(C)=CC(Br)=C1 M51897 [0,1,0,0,0,1|1,1,0]=4 540 B12R1.358 COC(=O)C1=CC(C)=CC(C)=C1 M52794 [0,1,0,0,0,1|2,0,0]=4 541 B12R1.358 COC(=O)C1=CC(C)=CC(Cl)=N1 M48948 [0,1,0,0,0,1|1,0,0]=3 542 B12R1.358 COC(=O)C1=CC(C)=NC(C)=C1 M50068 [0,1,0,0,0,1|2,0,0]=4 543 B12R1.358 COC(=O)C1=CC(Cl)=CC(Cl)=N1 M32102 [0,1,0,0,0,1|2,0,0]=4 544 B12R1.358 COC(=O)C1=CC(Cl)=CC(F)=C1 M48166 [0,1,0,0,0,1|2,0,0]=4 545 B12R1.358 COC(=O)C1=CC(Cl)=CC(N)=C1 M48940 [0,1,0,0,0,1|2,0,0]=4 546 B12R1.358 COC(=O)C1=CC(Cl)=NC(C)=C1 C10736 [0,1,0,0,0,1|1,0,0]=3 547 B12R1.358 COC(=O)C1=CC(Cl)=NC(Cl)=C1 M44965 [0,1,0,0,0,1|2,0,0]=4 548 B12R1.358 COC(=O)C1=CC(N)=CC(C)=C1 M50060 [0,1,0,0,0,1|2,0,0]=4 549 B12R1.358 COC(=O)C1=NC(Cl)=NC(Cl)=C1 M9511 [0,1,0,0,0,1|2,0,0]=4 550 B12R1.358 COC(=O)C1=NC(Cl)=NC(N)=C1 M42819 [0,1,0,0,0,1|2,0,0]=4 551 B12R1.511 CC1=C(C(=O)O)C=C(Cl)N=C1Cl D44968 [0,1,0,0,0,1|2,0,0]=4 552 B12R1.511 CC1=CC(Br)=C(F)C(C(=O)O)=C1 B48147 [0,1,0,0,0,1|1,1,0]=4 553 B12R1.511 CC1=CC(Br)=C(N)C(C(=O)O)=C1 A48926 [0,1,0,0,0,1|1,1,0]=4 554 B12R1.511 CC1=CC(Br)=CC(C(=O)O)=C1N A48929 [0,1,0,0,0,1|1,1,0]=4 555 B12R1.511 CC1=CC(C(=O)O)=C(N)C(C)=C1 A19865 [0,1,0,0,0,1|2,0,0]=4 556 B12R1.511 CC1=CC(Cl)=CC(C(=O)O)=C1N A39504 [0,1,0,0,0,1|1,0,0]=3 557 B12R1.511 NC1=C(C(=O)O)C=C(Cl)N=C1Cl A38289 [0,1,0,0,0,1|2,0,0]=4 558 B12R1.511 NC1=C(C(=O)O)N=C(Cl)C=C1Cl A37258 [0,1,0,0,0,1|2,0,0]=4 559 B12R1.511 NC1=C(Cl)C=C(F)C=C1C(=O)O A44973 [0,1,0,0,0,1|2,0,0]=4 560 B12R1.511 NC1=C(F)C=C(Cl)C=C1C(=O)O A61829 [0,1,0,0,0,1|2,0,0]=4 561 B12R1.511 NC1=CC(Cl)=NC(C(=O)O)=C1Cl A68042 [0,1,0,0,0,1|2,0,0]=4 562 B12R1.511 O=C(O)C1=C(O)C(Cl)=NC(Cl)=C1 D41973 [0,1,0,0,0,1|2,0,0]=4 563 B12R1.511 O=C(O)C1=CC(Cl)=CC(Br)=C1F B60676 [0,1,0,0,0,1|2,0,0]=4 564 B12R1.511 O=C(O)C1=CC(I)=CC(Cl)=C1F C63470 [0,1,0,0,0,1|2,0,0]=4 565 B12R1.111 O=C(O)C1=CC([N+](=O)[O-])=C(Br)S1 B61616 [0,2,0,0,0,0|1,1,0]=4 566 B12R1.111 O=C(O)C1=CC([N+](=O)[O-])=C(Cl)S1 C40543 [0,2,0,0,0,0|1,0,0]=3 567 B12R1.362 COC(=O)C1=C(O)C(C)=C(C)S1 M46855 [0,2,0,0,0,0|1,0,0]=3 568 B12R1.362 COC(=O)C1=C(O)C(Cl)=C(Cl)S1 M42330 [0,2,0,0,0,0|1,0,0]=3 569 B12R1.766 COC1=C(C(=O)O)SC(Cl)=C1Cl D42329 [0,2,0,0,0,0|1,0,0]=3 570 B10R1.113 CC1=CC(C(=O)O)=NC=C1 M38719 [0,0,1,1,0,0|2,0,0]=4 571 B10R1.113 CC1=CC(C(=O)O)=NC=N1 M14544 [0,0,1,1,0,0|2,0,0]=4 572 B10R1.113 CC1=NC=CC(C(=O)O)=C1 M15805 [0,0,1,1,0,0|2,0,0]=4 573 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 C12400 [0,0,1,1,0,0|2,0,0]=4 574 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 C5854 [0,0,1,1,0,0|2,0,0]=4 575 B12R2.1384 O=C(O)C1=CC2=C(C=C1)CC2 B51559 [0,0,0,1,0,1|2,0,0]=4 576 B12R2.252 O=C(O)C1=CC2=C(C=CS2)S1 T44620 [0,1,0,1,0,0|1,0,1]=4 577 B12R2.252 O=C(O)C1=CC2=C(CSC2)S1 D45522 [0,1,0,1,0,0|1,0,0]=3 578 B10R1.8 CC1=CC(Br)=CC(C=O)=C1 B48715 [1,0,0,0,0,1|1,1,0]=4 579 B10R1.8 CC1=CC(C)=CC(C=O)=C1 D49876 [1,0,0,0,0,1|2,0,0]=4 580 B10R1.8 CC1=CC(C=O)=CC(C)=N1 D38336 [1,0,0,0,0,1|2,0,0]=4 581 B10R1.8 CC1=CC(C=O)=CC(O)=C1 H49072 [1,0,0,0,0,1|2,0,0]=4 582 B10R1.8 CC1=CC(Cl)=CC(C=O)=C1 C48729 [1,0,0,0,0,1|1,0,0]=3 583 B10R1.8 CC1=CC(Cl)=CC(C=O)=N1 C45485 [1,0,0,0,0,1|2,0,0]=4 584 B10R1.8 CC1=CC(F)=CC(C=O)=C1 F38057 [1,0,0,0,0,1|1,1,0]=4 585 B10R1.8 O=CC1=CC(Br)=CC(Cl)=C1 B44640 [1,0,0,0,0,1|2,0,0]=4 586 B10R1.8 O=CC1=CC(Cl)=CC(Cl)=C1 D44661 [1,0,0,0,0,1|2,0,0]=4 587 B10R1.8 O=CC1=CC(Cl)=CC(Cl)=N1 D37494 [1,0,0,0,0,1|2,0,0]=4 588 B10R1.8 O=CC1=CC(Cl)=CC(F)=C1 C44665 [1,0,0,0,0,1|2,0,0]=4 589 B10R1.8 O=CC1=CC(Cl)=CC(O)=C1 C45093 [1,0,0,0,0,1|2,0,0]=4 590 B10R1.8 O=CC1=CC(Cl)=NC(Cl)=C1 D42011 [1,0,0,0,0,1|2,0,0]=4 591 B10R1.54 CC(=O)NC1=CC=C(Br)S1 B42894 [1,0,0,0,0,1|1,1,0]=4 592 B10R1.54 CC(=O)NC1=NC(C)=CS1 A68861 [1,0,0,0,0,1|2,0,0]=4 593 B10R1.54 CC1=CN(CC(=O)O)N=C1 M43224 [1,0,0,0,0,1|2,0,0]=4 594 B10R1.54 NC1=NC=C(CC(=O)O)S1 A11834 [1,0,0,0,0,1|2,0,0]=4 595 B10R1.54 O=C(O)CC1=NC(Cl)=CS1 C12127 [1,0,0,0,0,1|2,0,0]=4 596 B10R1.54 O=C(O)CC1=NC=C(Cl)S1 C11230 [1,0,0,0,0,1|1,0,0]=3 597 B12R1.19 CC(=O)NC1=CC(Cl)=C(C)C=C1 C65828 [0,0,0,0,0,2|2,0,0]=4 598 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 B51908 [0,0,0,0,0,2|1,1,0]=4 599 B12R1.19 CC1=C(F)C=C(CC(=O)O)C=C1 F51951 [0,0,0,0,0,2|1,1,0]=4 600 B12R1.19 CC1=C(N)C=CC(CC(=O)O)=C1 A50072 [0,0,0,0,0,2|2,0,0]=4 601 B12R1.19 CC1=CC(CC(=O)O)=NNC1=O M14969 [0,0,0,0,0,2|2,0,0]=4 602 B12R1.19 O=C(O)CC1=CC(Br)=C(Cl)C=C1 B38612 [0,0,0,0,0,2|2,0,0]=4 603 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 D39472 [0,0,0,0,0,2|2,0,0]=4 604 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 C24991 [0,0,0,0,0,2|2,0,0]=4 605 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 C48175 [0,0,0,0,0,2|2,0,0]=4 606 B12R1.101 CC1=CC(C)=CC(CC(=O)O)=C1 D68844 [0,0,0,0,0,2|2,0,0]=4 607 B12R1.101 O=C(O)CC1=CC(Cl)=CC(Cl)=C1 D38607 [0,0,0,0,0,2|2,0,0]=4 608 B12R1.101 O=C(O)CC1=CC(Cl)=CC(F)=C1 C48174 [0,0,0,0,0,2|2,0,0]=4