0 B10R1.61 C=C(C)C1=C(C)C=CC=C1 D91121 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.61 CC1=C(B(O)O)C=CC=N1 69537 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.61 CC1=C(B(O)O)C=NC=C1 AT14945 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.61 CC1=C(N(C)C)C=CC=C1 D89722 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.61 NC(=O)C1=CC=CN=C1F 26317 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.61 NC(=O)C1=NC=CC=C1O D90953 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.61 NC(=S)C1=C(Br)C=CC=C1 V10037 [0,0,0,0,0,0|2,1,0]=3 7 B10R1.61 NC(=S)C1=C(Cl)C=CC=C1 A10483 [0,0,0,0,0,0|2,1,0]=3 8 B10R1.61 NC(=S)C1=C(F)C=CC=C1 A10480 [0,0,0,0,0,0|2,1,0]=3 9 B10R1.61 NC(=S)C1=C(O)C=CC=C1 A10504 [0,0,0,0,0,0|1,1,0]=2 10 B10R1.61 NC1=C(C(=O)O)C=CN=C1 O10944 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.61 NC1=C([N+](=O)[O-])C=CC=C1 D91640 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.61 NC1=CC=CN=C1C(=O)O O10945 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 I10233 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 CL0204 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.61 O=C(O)C1=C(F)C=CC=N1 AC3521 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.61 O=C(O)C1=CC=CN=C1S F14851 [0,0,0,0,0,0|1,1,0]=2 17 B10R1.61 O=C(O)C1=NC=CNC1=O FD9125 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D91263 [0,0,0,0,0,0|0,0,1]=1 19 B10R1.61 O=C([O-])C1=C([S-])C=CC=C1 H10793 [0,0,0,0,0,0|0,1,1]=2 20 B10R1.61 O=[N+]([O-])C1=C(O)N=CC=C1 37243 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.61 OB(O)C1=C(Br)C=NC=C1 C15822 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.61 OB(O)C1=C(Cl)C=NC=C1 58092 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.61 OB(O)C1=C(Cl)C=NC=C1 AT14612 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.6 CN(C)C1=CC=CC=C1 D95371 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.6 CN(N)C1=CC=CC=C1 Y14873 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.6 CP(C)C1=CC=CC=C1 D90262 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 A10187 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.6 N=C(N)C1=CC=NC=C1 I11702 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.6 O=C(Cl)C1=CN=CN=C1 S11745 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.6 O=C([O-])C1=NC=CC=C1 D91960 [1,0,0,0,0,0|1,0,1]=3 31 B9R1.6 O=[Se](O)C1=CC=CC=C1 D88899 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.15 CC1=C(CCl)C=CC=C1 22011 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.15 CC1=C(CS)C=CC=C1 AT13699 [1,0,0,0,0,0|1,1,1]=4 34 B9R1.15 CCC1=C(N)C=CC=C1 CK1167 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.15 CCC1=C([S-])C=CC=C1 D90553 [1,0,0,0,0,0|1,1,1]=4 36 B9R1.15 CSC1=C(F)C=CC=C1 D90680 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.15 ClCC1=C(Br)C=CC=C1 H11765 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.15 FC1=C(CS)C=CC=C1 AT13683 [1,0,0,0,0,0|1,1,1]=4 39 B9R1.15 NCC1=C(O)C=CC=C1 O10497 [1,0,0,0,0,0|1,0,1]=3 40 B9R1.15 NNC1=C(Br)C=CC=C1 C15043 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.15 NNC1=C(Cl)C=CC=C1 78675 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.15 O=CC1=CC=CNC1=O 34796 [1,0,0,0,0,0|1,0,1]=3 43 B9R1.15 OCC1=C(O)C=CC=N1 S12139 [1,0,0,0,0,0|1,0,1]=3 44 B11R1.53 CNC1=C(C(=O)O)C=CC=N1 AC7951 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.53 COC1=C(B(O)O)C=NC=C1 AT15047 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.53 COC1=C(B([O-])O)C=NC=C1 AT15052 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.53 COC1=C(C(N)=S)C=CC=C1 A10494 [0,1,0,0,0,0|1,1,0]=3 48 B11R1.53 COC1=NC=CC=C1B(O)O AT15045 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.53 CSC1=C(C(C)=O)C=CC=C1 S10954 [0,1,0,0,0,0|1,1,0]=3 50 B11R1.53 NNC1=C([N+](=O)[O-])C=CC=C1 79300 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.53 O=C(O)C1=C(CBr)C=CC=C1 FD17072 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.53 O=[N+]([O-])C1=C(CCl)C=CC=C1 CK2309 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.87 CC(C)(O)C1=C(O)C=CC=C1 W15333 [0,1,0,0,0,0|1,0,1]=3 54 B11R1.87 CS(=O)(=O)C1=C(N)C=CC=C1 D72727 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.87 O=S(=O)(Cl)C1=C(I)C=CC=C1 CK1137 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.87 O=S(=O)(F)C1=C(Br)C=CC=C1 AT12021 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.156 C[C@H](O)C1=C(Cl)C=CC=C1N E71739 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.156 NC(=S)C1=C(Cl)C=CC=C1Cl A10479 [0,1,0,0,0,0|2,1,0]=4 59 B11R1.156 O=C(O)C1=C(Br)C=NC=C1Cl AT24328 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.156 O=C(O)C1=C(Cl)C=CN=C1Br 55288 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.156 O=[N+]([O-])C1=C(I)C=CC=C1Br 80682 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.156 OB(O)C1=C(I)C=CC=C1F F15476 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.159 CC1=C(Br)C(B(O)O)=CC=C1 F16732 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.159 CC1=C(Br)C=CC=C1C(=O)Cl 75755 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.159 CC1=C(Br)C=CC=C1C(N)=O N12378 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.159 CC1=CC=CC(C(=O)Cl)=C1C 35098 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.159 CC1=CC=CC([N+](=O)[O-])=C1C D89776 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.159 CC1=NC=CC(C(=O)O)=C1C D81061 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.159 NC(=S)C1=CC=CC(Cl)=C1Cl A10492 [0,1,0,0,0,0|2,1,0]=4 70 B11R1.159 NC1=C(I)C=CC=C1[N+](=O)[O-] O10808 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.159 NC1=CC=CC(C(=O)O)=C1O O10933 [0,1,0,0,0,0|0,0,0]=1 72 B11R1.159 O=C(Cl)C1=CC=CC(Br)=C1F 34979 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.159 O=C(Cl)C1=CC=CC(Cl)=C1F 67817 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.159 O=C(O)C1=CC=CC(O)=C1I E71912 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.159 O=[N+]([O-])C1=CC=CC(F)=C1I 34846 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.159 O=[N+]([O-])C1=CC=CC(I)=C1Cl 97445 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.159 O=[N+]([O-])C1=CC=CC(I)=C1O D92861 [0,1,0,0,0,0|1,0,1]=3 78 B11R1.166 CC1=CC(=O)C(C(=O)O)=CN1 O11609 [0,1,0,0,0,0|1,0,1]=3 79 B11R1.166 N=C(N)C1=C(Cl)C=C(Cl)C=C1 24189 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.166 NC(=O)C1=C(Br)C=C(F)C=C1 FD10659 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.166 NC1=CC(N)=C(C(=O)O)C=C1 D90092 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.166 NC1=CC(N)=C([N+](=O)[O-])C=C1 D89594 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.166 O=C(Cl)C1=CC=C(Cl)N=C1Cl F17508 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.166 O=[N+]([O-])C1=C(Cl)C=C(Cl)C=C1 36897 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.166 OB(O)C1=C(Cl)C=C(O)C=C1 79334 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 53049 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.167 CC1=C(C(=O)Cl)C=C(F)C=C1 F16221 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.167 CC1=C([N+](=O)[O-])C=C(Cl)C=C1 D87546 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.167 CC1=CC(C(=O)Cl)=C(F)C=C1 75546 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.167 CC1=CC([N+](=O)[O-])=C(O)C=C1 D91654 [0,1,0,0,0,0|1,0,1]=3 91 B11R1.167 CC1=CC=C(O)N=C1C(=O)O 86251 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.167 CC1=CNC(=O)C(C(=O)O)=C1 D82381 [0,1,0,0,0,0|1,0,1]=3 93 B11R1.167 C[C@H](O)C1=C(I)C=CC(F)=C1 D85844 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.167 NC(=O)C1=C(Cl)C=CC(N)=C1 AC8044 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.167 NC(=O)C1=C(F)C=CC(Cl)=C1 H10549 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.167 O=C(O)C1=C(Cl)C=CC(Br)=N1 AT23576 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.167 O=C([O-])C1=C(Cl)C=CC(Cl)=C1 76757 [0,1,0,0,0,0|1,0,1]=3 98 B11R1.167 O=C([O-])C1=C(Cl)C=CC(F)=C1 22817 [0,1,0,0,0,0|1,0,1]=3 99 B11R1.167 O=[N+]([O-])C1=CC(I)=CN=C1O I10209 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.167 OB(O)C1=C(F)C=CC(I)=C1 A51157 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.167 OB(O)C1=C(O)C=CC(Br)=C1 D71386 [0,1,0,0,0,0|1,0,1]=3 102 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 F13138 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.222 CC[C@H](O)C1=C(F)C=CC=C1 N11977 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.222 CNC(=O)C1=NC=CC=C1C D75083 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.222 COC(=O)C1=CC=CN=C1I 78871 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.222 C\C(=N/O)C1=C(O)C=CC=C1 11574 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 C77949 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.222 NCC(=O)C1=C(O)C=CC=C1 C78267 [0,1,0,0,0,0|1,0,0]=2 109 B11R1.222 O\N=C(/Cl)C1=C(Cl)C=CC=C1 65903 [0,1,0,0,0,0|2,0,0]=3 110 B11R2.1 BrC1=COC2=CC=CN=C12 F52702 [0,0,0,1,0,0|3,0,0]=4 111 B11R2.1 ClC1=NNC2=C1C=CC=C2 H11368 [0,0,0,1,0,0|3,0,0]=4 112 B11R2.1 ClC1=NSC2=C1C=CC=C2 AT19018 [0,0,0,1,0,0|2,1,0]=4 113 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10935 [0,0,0,1,0,0|2,0,1]=4 114 B11R2.1 O=C1NN=C2C=CC=CN12 F14880 [0,0,0,1,0,0|3,0,0]=4 115 B11R2.1 SC1=CNC2=C1C=CC=C2 H10966 [0,0,0,1,0,0|2,1,0]=4 116 B9R1.41 CC(=O)C1=C(Br)SC=C1 D82739 [0,0,0,0,1,0|3,0,0]=4 117 B9R1.41 CC(=O)C1=C(Cl)C=CS1 29879 [0,0,0,0,1,0|3,0,0]=4 118 B9R1.41 CC1=C(C(=O)O)N=CN1 S10285 [0,0,0,0,1,0|3,0,0]=4 119 B9R1.41 CC1=C(C(N)=O)SC=C1 30332 [0,0,0,0,1,0|3,0,0]=4 120 B9R1.41 NC(=O)C1=C(Br)C=CS1 AC6815 [0,0,0,0,1,0|3,0,0]=4 121 B9R1.41 O=C(Cl)C1=C(Br)C=CS1 29708 [0,0,0,0,1,0|3,0,0]=4 122 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 57596 [0,0,0,0,1,0|3,0,0]=4 123 B9R1.41 O=C(O)C1=C(Br)SN=C1 92993 [0,0,0,0,1,0|3,0,0]=4 124 B9R1.41 O=C(O)C1=C(I)C=CS1 N10453 [0,0,0,0,1,0|2,0,0]=3 125 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 N12425 [0,0,0,0,0,1|2,0,0]=3 126 B11R1.86 CC(=O)OC1=C(F)C=CC=C1 F13223 [0,0,0,0,0,1|2,0,0]=3 127 B11R1.86 N=C(N)NC1=C(F)C=CC=C1 25412 [0,0,0,0,0,1|3,0,0]=4 128 B11R1.86 NC(=O)CC1=C(N)C=CC=C1 D78598 [0,0,0,0,0,1|2,0,0]=3 129 B11R1.86 NC(=O)NC1=C(Br)C=CC=C1 H11652 [0,0,0,0,0,1|2,0,0]=3 130 B11R1.86 NC1=[N+](CC(=O)[O-])C=CC=C1 O10455 [0,0,0,0,0,1|2,0,1]=4 131 B11R1.86 O=C(Cl)CC1=C(Cl)C=CC=C1 D97686 [0,0,0,0,0,1|2,0,0]=3 132 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 A10511 [0,0,0,0,0,1|2,0,0]=3 133 B8R1.2 C#CC1=CC=CC=C1 D90456 [2,0,0,0,0,0|1,0,1]=4 134 B8R1.2 C=CC1=NC=CC=C1 91716 [2,0,0,0,0,0|2,0,0]=4 135 B8R1.2 NCC1=CC=CC=C1 T70936 [2,0,0,0,0,0|1,0,1]=4 136 B8R1.2 NNC1=CC=CC=C1 D91920 [2,0,0,0,0,0|2,0,0]=4 137 B8R1.5 CC1=C(N)C=CC=C1 C90102 [2,0,0,0,0,0|1,0,1]=4 138 B8R1.5 FC1=C(F)C=CC=C1 36950 [2,0,0,0,0,0|2,0,0]=4 139 B8R1.5 NC1=C(Br)C=CC=C1 N12017 [2,0,0,0,0,0|2,0,0]=4 140 B8R1.5 NC1=C(N)C=CC=C1 D91918 [2,0,0,0,0,0|2,0,0]=4 141 B8R1.5 NC1=C(S)C=CC=C1 AT19637 [2,0,0,0,0,0|1,1,0]=4 142 B8R1.5 NC1=CC=CN=C1O 38059 [2,0,0,0,0,0|2,0,0]=4 143 B8R1.5 NC1=CC=CNC1=O D86077 [2,0,0,0,0,0|2,0,0]=4 144 B8R1.5 NC1=CNC=CC1=O D80314 [2,0,0,0,0,0|2,0,0]=4 145 B8R1.5 OC1=C(Br)C=CC=N1 22453 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.13 C=C(C)C1=CC=C(Br)C=C1 AC1305 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 D97156 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.13 CC1=CC=C([S@](=O)O)C=C1 F21290 [1,1,0,0,0,0|1,0,0]=3 149 B10R1.13 CC1=CN=C(C(=O)O)C=C1 23539 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 F13696 [1,1,0,0,0,0|1,1,0]=4 151 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 34960 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.13 O=C(Cl)C1=NC=C(F)C=C1 D87634 [1,1,0,0,0,0|2,0,0]=4 153 B10R1.13 O=C(O)C1=CN=C(S)C=C1 N12019 [1,1,0,0,0,0|1,0,0]=3 154 B10R1.13 O=C1C=CC(C(=O)O)=CN1 P10104 [1,1,0,0,0,0|1,0,0]=3 155 B10R1.13 O=[S@](O)C1=CC=C(Br)C=C1 D82516 [1,1,0,0,0,0|1,0,0]=3 156 B10R1.13 OB(O)C1=CC=C(S)C=C1 64291 [1,1,0,0,0,0|1,0,1]=4 157 B10R1.15 C=C[C@H](O)C1=CC=CC=C1 AB10386 [1,1,0,0,0,0|1,0,1]=4 158 B10R1.15 COC(=N)C1=NC=CC=C1 77277 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25357 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25361 [1,1,0,0,0,0|1,0,1]=4 161 B10R1.15 C\C(=N/N)C1=CC=CC=C1 I11141 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.15 C\C(=N\O)C1=CN=CC=C1 31313 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.15 O=C(CBr)C1=NC=CC=C1 S10662 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.15 O=C(CCl)C1=NC=CC=C1 H11612 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.28 O=P(Cl)(Cl)C1=CC=CC=C1 CL4120 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.28 O=S(=O)(Cl)C1=CC=CC=C1 AR3950 [1,1,0,0,0,0|1,0,1]=4 167 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 D88593 [1,1,0,0,0,0|1,0,1]=4 168 B10R1.28 O[B-](O)(O)C1=CC=CC=C1 D92266 [1,1,0,0,0,0|1,0,1]=4 169 B10R1.113 C=C(C)C1=CC=CC(I)=C1 D86695 [1,1,0,0,0,0|2,0,0]=4 170 B10R1.113 CC1=CC=CC(C(=N)N)=C1 I11458 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 C91518 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.113 N=C(N)C1=CC(N)=CC=C1 F13532 [1,1,0,0,0,0|2,0,0]=4 173 B10R1.113 N=C(N)C1=CC(N)=CC=C1 H11407 [1,1,0,0,0,0|2,0,0]=4 174 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 D87873 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.113 NC(=S)C1=CC(F)=CC=C1 W12701 [1,1,0,0,0,0|1,1,0]=4 176 B10R1.113 NC(=S)C1=CC(O)=CC=C1 A10505 [1,1,0,0,0,0|1,1,0]=4 177 B10R1.113 NC(=S)C1=CC=CC(Br)=C1 A10478 [1,1,0,0,0,0|1,1,0]=4 178 B10R1.113 NC1=CC(C(=O)O)=NC=C1 AC1887 [1,1,0,0,0,0|1,0,0]=3 179 B10R1.113 NC1=CC=CC(C(=O)[O-])=C1 D88239 [1,1,0,0,0,0|0,0,1]=3 180 B10R1.113 O=C(Cl)C1=CC=CC(I)=C1 D91195 [1,1,0,0,0,0|1,0,0]=3 181 B10R1.113 O=C([O-])C1=CC(O)=CC=C1 D90821 [1,1,0,0,0,0|0,0,1]=3 182 B10R1.113 O=C([O-])C1=CC=CC(F)=C1 CK1073 [1,1,0,0,0,0|0,0,1]=3 183 B10R1.2 CC1=C(I)C=CC=C1C=O D78773 [1,1,0,0,0,0|1,0,0]=3 184 B10R1.2 NC1=C(I)C=NC=C1C=O 76831 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.2 O=CC1=C(Cl)C(Br)=NC=C1 D86540 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.2 O=CC1=C(F)C(Br)=NC=C1 S10137 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.4 C=CCC1=C(C)C=CC=C1 D97323 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.4 C=CCC1=C(N)C=CC=C1 D88543 [1,1,0,0,0,0|2,0,0]=4 189 B10R1.4 CCCC1=C(O)C=CC=C1 D86075 [1,1,0,0,0,0|1,0,1]=4 190 B10R1.4 COCC1=C(Br)C=CC=C1 CK2442 [1,1,0,0,0,0|1,0,1]=4 191 B10R1.4 NOCC1=C(Cl)C=CC=C1 D87707 [1,1,0,0,0,0|1,0,1]=4 192 B10R1.4 N\N=C\C1=C(O)C=CC=C1 F15584 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.4 O=CNC1=C(Br)C=CC=C1 W12508 [1,1,0,0,0,0|1,0,0]=3 194 B10R1.4 OC1=C(CCBr)C=CC=C1 C78317 [1,1,0,0,0,0|1,0,1]=4 195 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 57820 [1,1,0,0,0,0|1,0,0]=3 196 B10R1.20 CCC1=C(OC)C=CC=C1 D90534 [1,1,0,0,0,0|1,0,1]=4 197 B10R1.25 CC1=CC(F)=NC=C1C=O C14505 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.25 NC1=CC(Cl)=C(CO)C=C1 A50711 [1,1,0,0,0,0|1,0,1]=4 199 B10R1.25 OCC1=C(Cl)C=C(Br)C=C1 93736 [1,1,0,0,0,0|1,0,1]=4 200 B10R1.30 CC1=CC(C=O)=C(Cl)C=C1 S10830 [1,1,0,0,0,0|1,0,0]=3 201 B10R1.30 CC1=CC(CO)=C(C)C=C1 A11027 [1,1,0,0,0,0|1,0,1]=4 202 B10R1.30 CC1=CC(CO)=C(F)C=C1 CK2472 [1,1,0,0,0,0|1,0,1]=4 203 B10R1.30 NC1=C(CO)C=C(I)C=C1 AC6308 [1,1,0,0,0,0|1,0,1]=4 204 B10R1.30 NC1=NC=C(I)C=C1C=O E72088 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.30 NCC1=C(O)C=CC(Cl)=C1 C90472 [1,1,0,0,0,0|1,0,1]=4 206 B10R1.30 OCC1=C(F)C=CC(Cl)=C1 CK2452 [1,1,0,0,0,0|1,0,1]=4 207 B10R1.30 OCC1=C(O)C=CC(Cl)=C1 E72725 [1,1,0,0,0,0|0,0,1]=3 208 B10R1.245 C=CC1=C(F)C=CC=C1F 35625 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.39 CCN1C=CC=C1C(=O)O AT16118 [0,1,0,0,1,0|2,0,0]=4 210 B10R1.59 CC1=CC(C(=O)O)=C(C)S1 AT16778 [0,1,0,0,1,0|2,0,0]=4 211 B10R1.59 O=C(O)C1=C(Br)C=C(Br)S1 71272 [0,1,0,0,1,0|2,0,0]=4 212 B10R1.149 COC(=O)C1=C(Br)OC=C1 A11295 [0,1,0,0,1,0|2,0,0]=4 213 B12R1.75 CCC1=C(NC(C)=O)C=CC=C1 78691 [0,1,0,0,0,1|2,0,0]=4 214 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 C12522 [0,1,0,0,0,1|1,0,0]=3 215 B12R1.75 COC1=C(NC(C)=O)C=CC=N1 L10166 [0,1,0,0,0,1|2,0,0]=4 216 B12R1.124 N[C@@H](C(=O)O)C1=C(F)C=CC=C1 N12038 [0,1,0,0,0,1|1,0,0]=3 217 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 N10976 [0,1,0,0,0,1|0,0,0]=2 218 B12R1.127 CC(=O)OC1=C(Cl)C=CC(N)=C1 AC8847 [0,1,0,0,0,1|2,0,0]=4 219 B12R1.127 CC1=CC(CC(=O)Cl)=C(C)C=C1 D90268 [0,1,0,0,0,1|2,0,0]=4 220 B12R1.127 NC1=CC(CC(=O)O)=C(Br)C=C1 95685 [0,1,0,0,0,1|1,0,0]=3 221 B12R1.233 CC1=CC(=O)N(CC(=O)O)C=C1 AT19235 [0,1,0,0,0,1|1,0,1]=4 222 B12R1.233 CC1=CC(Br)=C(CC(=O)O)C=C1 D87833 [0,1,0,0,0,1|1,0,0]=3 223 B12R1.233 O=C(Cl)OC1=C(F)C=C(F)C=C1 AC6073 [0,1,0,0,0,1|2,0,0]=4 224 B12R1.371 CNC(=O)CC1=C(Br)C=CC=C1 72287 [0,1,0,0,0,1|2,0,0]=4 225 B12R1.1009 NC1=CC=CC(Br)=C1CC(=O)O D83287 [0,1,0,0,0,1|1,0,0]=3 226 B12R1.57 CC(=O)C1=C(C#N)C=C(Cl)C=C1 E72189 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.57 CC1=CC(C#N)=C(C(=O)O)C=C1 CL9373 [0,2,0,0,0,0|1,0,0]=3 228 B12R1.57 COC1=C(B(O)O)C=CC(C)=C1 D71595 [0,2,0,0,0,0|1,0,1]=4 229 B12R1.77 COC(=O)C1=C(NN)C=CC=C1 20533 [0,2,0,0,0,0|1,0,0]=3 230 B12R1.77 COC1=C([C@@H](N)CO)C=CC=C1 Y11111 [0,2,0,0,0,0|1,0,1]=4 231 B12R1.87 COC1=C(C)C=CC=C1B(O)O I12138 [0,2,0,0,0,0|1,0,1]=4 232 B12R1.87 OCC1=C(Cl)C=CC=C1B(O)O D71504 [0,2,0,0,0,0|1,0,1]=4 233 B12R1.261 O=C(Cl)C1=C([N+](=O)[O-])C=CC=C1 22079 [0,2,0,0,0,0|1,0,1]=4 234 B12R1.261 O=C(O)C1=C(C(=O)O)C=CC=C1 D91939 [0,2,0,0,0,0|0,0,0]=2 235 B12R1.283 CCOC1=C(C(C)=O)C=CC=C1 D90522 [0,2,0,0,0,0|1,0,0]=3 236 B12R1.283 CCOC1=C([N+](=O)[O-])C=CC=C1 75594 [0,2,0,0,0,0|1,0,1]=4 237 B12R1.437 COC1=CC=CC(Cl)=C1C(N)=O C14137 [0,2,0,0,0,0|1,0,0]=3 238 B12R1.128 NC1=C(S(=O)(=O)O)C=C(Cl)C=C1 34719 [0,2,0,0,0,0|2,0,0]=4 239 B12R1.128 O=S(=O)([O-])C1=C(O)C=CC(O)=C1 T70125 [0,2,0,0,0,0|1,0,1]=4 240 B12R1.894 CC(=O)C1=C(Cl)C=CC(C)=C1F 51648 [0,2,0,0,0,0|2,0,0]=4 241 B12R1.894 CC(=O)C1=C(F)C=CC(Cl)=C1F C90842 [0,2,0,0,0,0|2,0,0]=4 242 B12R1.894 CC1=C(F)C(C(=O)O)=C(Cl)C=C1 51650 [0,2,0,0,0,0|1,0,0]=3 243 B12R1.894 CC1=C(O)C([N+](=O)[O-])=C(F)C=C1 D82770 [0,2,0,0,0,0|1,0,1]=4 244 B12R1.894 CC1=CC=C(F)C(C(=O)Cl)=C1F F16077 [0,2,0,0,0,0|2,0,0]=4 245 B12R1.894 CC1=CC=C(F)C(C(=O)O)=C1Cl 51585 [0,2,0,0,0,0|1,0,0]=3 246 B12R1.894 NC1=CC=C(F)C(F)=C1C(=O)O 34917 [0,2,0,0,0,0|1,0,0]=3 247 B12R1.894 O=C(Cl)C1=C(Cl)C(F)=CC=C1F AT13774 [0,2,0,0,0,0|2,0,0]=4 248 B12R1.894 O=C(Cl)C1=C(F)C(F)=CC=C1F 35214 [0,2,0,0,0,0|2,0,0]=4 249 B12R1.894 O=C(O)C1=C(Cl)C=CC(Br)=C1F D85934 [0,2,0,0,0,0|1,0,0]=3 250 B12R1.894 O=C(O)C1=C(Cl)C=CC(F)=C1F D75556 [0,2,0,0,0,0|1,0,0]=3 251 B12R1.894 O=C(O)C1=C(F)C=CC(F)=C1O D86534 [0,2,0,0,0,0|0,0,0]=2 252 B12R1.1000 CC1=CC(Br)=CC(I)=C1C(=O)O E72101 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.1000 CC1=CC(C)=NC(N)=C1C(=O)O AT10443 [0,2,0,0,0,0|2,0,0]=4 254 B12R1.1000 CC1=CC(C)=NC(O)=C1C(=O)O 84024 [0,2,0,0,0,0|1,0,0]=3 255 B12R1.1000 CC1=CC(I)=C(C(=O)O)C(I)=C1 AT18570 [0,2,0,0,0,0|1,0,0]=3 256 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(O)=C1 D90113 [0,2,0,0,0,0|0,0,0]=2 257 B12R1.1000 O=C(Cl)C1=C(F)C=C(Br)C=C1F C15861 [0,2,0,0,0,0|2,0,0]=4 258 B12R1.1000 O=C(Cl)C1=C(F)C=C(F)C=C1F CK1092 [0,2,0,0,0,0|2,0,0]=4 259 B12R1.1000 O=C(O)C1=C(Br)C=C(F)C=C1Br 94047 [0,2,0,0,0,0|1,0,0]=3 260 B12R1.3441 CNC(=O)C1=C(N)C=CC=C1C E72727 [0,2,0,0,0,0|2,0,0]=4 261 B12R1.3441 O\N=C(/Cl)C1=C(Cl)C=CC=C1Cl C12233 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.24 CNC(=O)C1=C(C)C(N)=CC=C1 D85892 [0,2,0,0,0,0|2,0,0]=4 263 B12R1.24 COC(=O)C1=CC=CC(Cl)=C1Br N12332 [0,2,0,0,0,0|1,0,0]=3 264 B12R1.24 COC(=O)C1=CC=CC(F)=C1C 90026 [0,2,0,0,0,0|1,0,0]=3 265 B12R1.511 CC(=O)C1=CC(Cl)=CC(Cl)=C1O 73406 [0,2,0,0,0,0|1,0,0]=3 266 B12R1.511 CC1=C(F)C=C(F)C=C1C(=O)O 22687 [0,2,0,0,0,0|1,0,0]=3 267 B12R1.511 CC1=CC(C(=O)O)=C(Br)C(C)=C1 D86939 [0,2,0,0,0,0|1,0,0]=3 268 B12R1.511 CC1=CC(F)=CC(C(=O)O)=C1Cl 22803 [0,2,0,0,0,0|1,0,0]=3 269 B12R1.511 NC1=C(C(=O)O)C=C(Cl)N=C1I E71805 [0,2,0,0,0,0|2,0,0]=4 270 B12R1.511 NC1=C(Cl)C(C(=O)O)=CC(Cl)=C1 D88446 [0,2,0,0,0,0|1,0,0]=3 271 B12R1.511 NC1=C(I)C=C(I)C=C1C(=O)O D89892 [0,2,0,0,0,0|1,0,0]=3 272 B12R1.511 O=C(O)C1=CC(Br)=CC(O)=C1O 76223 [0,2,0,0,0,0|0,0,0]=2 273 B12R1.893 CC(=O)C1=CC=C(O)C(F)=C1F C90908 [0,2,0,0,0,0|2,0,0]=4 274 B12R1.893 O=C(O)C1=CC=C(Br)C(F)=C1I E71782 [0,2,0,0,0,0|1,0,0]=3 275 B12R1.893 O=C(O)C1=CC=C(F)C(O)=C1F 35061 [0,2,0,0,0,0|1,0,0]=3 276 B12R1.893 O=[N+]([O-])C1=C(O)C(F)=C(Cl)C=C1 C13896 [0,2,0,0,0,0|1,0,1]=4 277 B12R1.232 CC(=O)C1=C(Br)C=C(F)C(F)=C1 95670 [0,2,0,0,0,0|2,0,0]=4 278 B12R1.232 CC(=O)C1=C(O)C=C(C)C(C)=C1 S10961 [0,2,0,0,0,0|1,0,0]=3 279 B12R1.232 CC(=O)C1=CC(Cl)=C(C)C=C1F CL9108 [0,2,0,0,0,0|2,0,0]=4 280 B12R1.232 CC(=O)C1=CC(F)=C(F)C=C1O D96253 [0,2,0,0,0,0|1,0,0]=3 281 B12R1.232 CC1=C(I)C=C(C(=O)O)C(O)=C1 35161 [0,2,0,0,0,0|0,0,0]=2 282 B12R1.232 NC1=CC(C(=O)O)=C(Cl)C=C1F D77050 [0,2,0,0,0,0|1,0,0]=3 283 B12R1.232 O=C(Cl)C1=CC(F)=C(Cl)C=C1F 34999 [0,2,0,0,0,0|2,0,0]=4 284 B12R1.232 O=C(O)C1=CC(Br)=C(O)C=C1Br CL9194 [0,2,0,0,0,0|1,0,0]=3 285 B12R1.232 O=C(O)C1=CC(Cl)=C(O)C=C1F 98180 [0,2,0,0,0,0|1,0,0]=3 286 B12R1.452 COC1=CC(Br)=C(C(C)=O)C=C1 AC1208 [0,2,0,0,0,0|2,0,0]=4 287 B12R1.452 COC1=CC(Br)=C(C(N)=O)C=C1 C15655 [0,2,0,0,0,0|2,0,0]=4 288 B12R1.1703 CC1=C(\C(N)=N\O)C=CC(Cl)=C1 72357 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.1703 O=C(CBr)C1=C(F)C=C(Br)C=C1 67274 [0,2,0,0,0,0|2,0,0]=4 290 B12R1.1703 O=C(CBr)C1=C(O)C=C(F)C=C1 F13712 [0,2,0,0,0,0|1,0,0]=3 291 B12R1.354 CCC(=O)C1=C(C)C=CC(C)=C1 N12086 [0,2,0,0,0,0|2,0,0]=4 292 B12R1.354 CCC(=O)C1=C(O)C=CC(C)=C1 D91039 [0,2,0,0,0,0|1,0,0]=3 293 B12R1.354 COC(=O)C1=C(Br)C=CC(Br)=N1 D74281 [0,2,0,0,0,0|2,0,0]=4 294 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1F 33480 [0,2,0,0,0,0|2,0,0]=4 295 B12R1.354 N=C(NO)C1=C(F)C=CC(Br)=C1 36783 [0,2,0,0,0,0|2,0,0]=4 296 B12R1.354 O=C(CBr)C1=C(Cl)C=CC(F)=C1 F20914 [0,2,0,0,0,0|2,0,0]=4 297 B12R1.453 CC1=C(C(=O)O)C=C(CN)C=C1 F13781 [0,2,0,0,0,0|1,0,0]=3 298 B12R1.453 COC1=CC(C(=O)O)=C(N)C=C1 64177 [0,2,0,0,0,0|1,0,0]=3 299 B12R1.308 CCOC(=O)C1=C(Cl)C=CN=C1 I11421 [0,2,0,0,0,0|2,0,0]=4 300 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 84695 [0,2,0,0,0,0|2,0,0]=4 301 B12R1.308 CCOC(=O)C1=C(O)N=NC=C1 30510 [0,2,0,0,0,0|2,0,0]=4 302 B12R1.308 CCOC(=O)C1=CC=CNC1=O C90445 [0,2,0,0,0,0|1,0,1]=4 303 B12R1.308 CCOC(=O)C1=CNC=CC1=O D83257 [0,2,0,0,0,0|1,0,1]=4 304 B10R1.66 O=C(O)\C=C/C1=CC=CS1 D86404 [0,0,1,1,0,0|0,1,0]=3 305 B10R1.66 O=C(O)\C=C\C1=CC=CN1 D87751 [0,0,1,1,0,0|1,0,0]=3 306 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CO1 W10751 [0,0,1,1,0,0|1,0,1]=4 307 B10R2.7 C1=CC2=C(C=C1)OC=C2 D88596 [1,0,0,1,0,0|1,0,0]=3 308 B12R2.24 OC1=NC2=CC=CC=C2N=C1 P50007 [0,0,0,1,0,1|2,0,0]=4 309 B12R2.202 CC1=NC2=C(C=CC=C2N)O1 AC5951 [0,0,0,1,0,1|2,0,0]=4 310 B12R2.202 NC1=NC2=C(C=CC=C2O)S1 72870 [0,0,0,1,0,1|1,1,0]=4 311 B12R2.202 O=C1NC2=CC=CC(F)=C2O1 AC2178 [0,0,0,1,0,1|2,0,0]=4 312 B12R2.2028 O=C1O[C@@H](Br)C2=C1C=CC=C2 S10466 [0,1,0,1,0,0|1,0,0]=3 313 B12R2.2028 O=C1O[C@@H](Cl)C2=C1C=CC=C2 D86720 [0,1,0,1,0,0|1,0,0]=3 314 B12R2.203 NC1=NOC2=CC=CC(F)=C21 AT10504 [0,1,0,1,0,0|2,0,0]=4 315 B12R2.203 O=C1NCC2=CC=CC(Cl)=C12 Y10069 [0,1,0,1,0,0|2,0,0]=4 316 B12R2.196 O=C1CCC2=C(I)C=CC=C12 I11158 [0,1,0,1,0,0|2,0,0]=4 317 B12R2.196 O=C1COC2=C(F)C=CC=C12 F13951 [0,1,0,1,0,0|1,0,0]=3 318 B12R2.612 CC1=NOC2=C1C=CC(Cl)=C2 D71901 [0,1,0,1,0,0|2,0,0]=4 319 B12R2.612 NC1=NOC2=C1C=CC(Cl)=C2 68246 [0,1,0,1,0,0|2,0,0]=4 320 B12R2.132 CC1=CC2=C(C=C1)CNC2=O 87919 [0,1,0,1,0,0|2,0,0]=4 321 B12R2.132 CC1=CC2=C(C=C1)ON=C2N 36492 [0,1,0,1,0,0|2,0,0]=4 322 B12R2.132 NC1=NOC2=C1C=C(Cl)C=C2 AT10487 [0,1,0,1,0,0|2,0,0]=4 323 B12R2.132 O=C1NOC2=C1C=C(Cl)C=C2 D78695 [0,1,0,1,0,0|1,0,0]=3 324 B12R2.132 O=C1NOC2=C1C=C(F)C=C2 26467 [0,1,0,1,0,0|1,0,0]=3 325 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 D87899 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.7 CC(=O)C1=CCC=C1 77833 [1,0,0,0,1,0|1,0,1]=4 327 B8R1.7 O=C(Cl)C1=CSC=C1 AT17064 [1,0,0,0,1,0|2,0,0]=4 328 B8R1.7 O=C(O)C1=CC=NN1 W10252 [1,0,0,0,1,0|2,0,0]=4 329 B8R1.7 O=C(O)C1=CN=CN1 VT1381 [1,0,0,0,1,0|2,0,0]=4 330 B8R1.7 O=C([O-])C1=CC=CS1 D80257 [1,0,0,0,1,0|1,0,1]=4 331 B8R1.11 CC1=C(C=O)C=CO1 AT17469 [1,0,0,0,1,0|2,0,0]=4 332 B8R1.11 CC1=C(C=O)OC=C1 AT17117 [1,0,0,0,1,0|2,0,0]=4 333 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 C78433 [0,0,0,0,0,2|2,0,0]=4 334 B12R1.125 CC1=C(SCC(=O)O)C=CC=C1 AT20928 [0,0,0,0,0,2|1,0,0]=3 335 B12R1.125 NC1=C(C=CC(=O)O)C=CC=N1 77496 [0,0,0,0,0,2|2,0,0]=4 336 B12R1.125 NC1=C(SCC(=O)O)C=CC=C1 AT20950 [0,0,0,0,0,2|1,0,0]=3 337 B12R1.125 O=C(O)COC1=C(Br)C=CC=C1 A50576 [0,0,0,0,0,2|1,0,0]=3 338 B12R1.125 O=C(O)COC1=C(O)C=CC=C1 AT23402 [0,0,0,0,0,2|0,0,0]=2 339 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 77939 [0,0,0,0,0,2|1,0,0]=3