0 B10R1.15 CCC(=O)C1=CC=CC=C1 P18860 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 E6698 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 CC[C@H](N)C1=CC=CC=C1 E6699 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.15 C\C(=N/O)C1=CC=CN=C1 P17578 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.15 C\C(=N\O)C1=NC=CC=C1 P13970 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.15 NCC(=O)C1=CC=CC=C1 A17693 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A14785 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.15 NC[C@H](O)C1=CC=CC=C1 A18262 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.15 N\C(=N\O)C1=CC=CC=C1 B13505 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.15 O=C(CBr)C1=CC=CC=C1 B17692 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P4802 [0,0,0,0,0,0|1,0,2]=3 11 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P4801 [0,0,0,0,0,0|1,0,2]=3 12 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P4801 [0,0,0,0,0,0|1,0,2]=3 13 B10R1.15 [C@@H](N)(CO)C1=CC=CC=C1 P5892 [0,0,0,0,0,0|1,0,2]=3 14 B10R1.15 [C@@H](N)(CO)C1=CC=CC=C1 P5892 [0,0,0,0,0,0|1,0,2]=3 15 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 P1975 [0,0,0,0,0,0|1,0,2]=3 16 B9R1.6 CC(=O)C1=CN=CC=C1 P2763 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.6 CC(=O)C1=CN=CC=N1 A0581 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.6 CC(=O)C1=NC=CC=C1 A1164 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.6 CN(C)C1=CC=NC=C1 D2370 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.6 C[C@@H](N)C1=CC=CC=C1 M5022 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.6 C[C@H](N)C1=CC=CC=C1 M5997 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.6 N=C(N)C1=CC=CC=C1 B11293 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.6 N=C(N)C1=CC=CC=C1 B13002 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.6 N=C(N)C1=CC=CC=C1 T1538 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.6 NC(=O)C1=CC=NC=C1 P1409 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.6 O=C(O)C1=CC=CN=C1 N0837 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.6 O=C(O)C1=CC=CN=C1 N0837 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.6 O=C(O)C1=NC=CC=C1 P0843 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.6 O=C(O)C1=NC=CC=C1 P0843 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.6 OB(O)C1=CC=CC=C1 N2145 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 BrCCC1=CC=CC=C1 B1499 [1,0,0,0,0,0|1,0,1]=3 32 B9R1.8 BrCCC1=NC=CC=C1 B18468 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.8 CCC[N+]1=CC=CC=C1 P9114 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.8 CNCC1=CC=CC=C1 C12471 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.8 CNCC1=CN=CC=C1 M13405 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.8 C\N=C/C1=CC=CC=C1 B11532 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.8 NCCC1=CC=CC=C1 P18797 [1,0,0,0,0,0|1,0,1]=3 38 B9R1.8 NCCC1=CC=CC=C1 P19425 [1,0,0,0,0,0|1,0,1]=3 39 B9R1.8 NCCC1=CC=CC=N1 P3233 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.8 NCCC1=CC=CN=C1 A18111 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.8 NCCC1=CC=NC=C1 A18195 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.8 NCCC1=CN=CC=C1 A12910 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.8 NNCC1=CC=CC=C1 B8798 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 NOCC1=CC=CC=C1 B7490 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 NOCC1=CC=CC=C1 B7490 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.8 OCCC1=NC=CC=C1 P0121 [1,0,0,0,0,0|1,0,2]=4 47 B9R1.8 O\N=C/C1=CC=CC=C1 B18348 [1,0,0,0,0,0|1,0,2]=4 48 B11R1.7 C=CS(=O)(=O)C1=CC=CC=C1 P7773 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.12 CCC(C#N)C1=CC=CC=C1 P4793 [0,1,0,0,0,0|1,0,1]=3 50 B11R1.12 OCC(CO)C1=CC=CC=C1 P11674 [0,1,0,0,0,0|0,0,2]=3 51 B11R1.16 CNCC(O)C1=CC=CC=C1 M12439 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C7851 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C7852 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.22 CCC(O)C1=CC=C(N)C=C1 A14442 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 A15527 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.22 [C-]#[N+]C(C)C1=CC=C(Br)C=C1 B9443 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 A3766 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A5471 [0,1,0,0,0,0|0,0,2]=3 59 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A5471 [0,1,0,0,0,0|0,0,2]=3 60 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 P18879 [0,1,0,0,0,0|0,0,0]=1 61 B11R1.36 NC(C(=O)O)C1=CC=NC=C1 A14115 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 A15477 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.36 N[C@@H](C(=O)O)C1=CCC=CC1 D0215 [0,1,0,0,0,0|1,0,2]=4 64 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 P6188 [0,1,0,0,0,0|1,0,0]=2 65 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 P6912 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 P6912 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 M0801 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.222 NCC(O)C1=CC=CC=C1Cl A14632 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.222 OC[C@@H](O)C1=C(Cl)C=CC=C1 C18779 [0,1,0,0,0,0|1,0,2]=4 72 B11R2.1 BrC1=CSC2=C1C=CC=C2 B9589 [0,0,0,1,0,0|1,1,1]=4 73 B11R2.1 CC1=CNC2=CC=CC=C12 M2187 [0,0,0,1,0,0|1,0,1]=3 74 B11R2.1 CC1=CNC2=CC=CC=C12 M2187 [0,0,0,1,0,0|1,0,1]=3 75 B11R2.1 CC1=CSC2=C1C=CC=C2 M3947 [0,0,0,1,0,0|0,1,1]=3 76 B11R2.1 CN1N=CC2=CC=CC=C21 M15342 [0,0,0,1,0,0|3,0,0]=4 77 B11R2.1 ClC1CCC2=CC=CC=C21 C17006 [0,0,0,1,0,0|2,0,1]=4 78 B11R2.1 NC1CCC2=CC=CC=C21 I17072 [0,0,0,1,0,0|2,0,1]=4 79 B11R2.1 OC1CCC2=CC=CC=C21 I17073 [0,0,0,1,0,0|2,0,1]=4 80 B11R1.40 C(=O)\C(Br)=C\C1=CC=CC=C1 B0897 [0,0,0,0,0,1|1,0,1]=3 81 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 M17930 [0,0,0,0,0,1|0,0,1]=2 82 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 A2030 [0,0,0,0,0,1|1,0,2]=4 83 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [0,0,0,0,0,1|1,0,2]=4 84 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [0,0,0,0,0,1|1,0,2]=4 85 B8R1.2 C#CC1=CC=CC=C1 P18887 [2,0,0,0,0,0|0,0,2]=4 86 B8R1.2 C(=O)C1=CC=CN=C1 P11581 [2,0,0,0,0,0|1,0,0]=3 87 B8R1.2 C(=O)C1=CC=NC=C1 P11582 [2,0,0,0,0,0|1,0,0]=3 88 B8R1.2 CC[N+]1=CC=CC=C1 E8507 [2,0,0,0,0,0|1,0,0]=3 89 B8R1.2 COC1=CC=NC=C1 M3232 [2,0,0,0,0,0|2,0,0]=4 90 B8R1.2 COC1=CC=NC=C1 M3232 [2,0,0,0,0,0|2,0,0]=4 91 B8R1.2 ClCC1=CC=CN=C1 C1770 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.2 ClCC1=CC=NC=C1 C2804 [2,0,0,0,0,0|2,0,0]=4 93 B8R1.2 ClCC1=NC=CC=C1 C5538 [2,0,0,0,0,0|2,0,0]=4 94 B8R1.2 NCC1=CC=CN=C1 P2319 [2,0,0,0,0,0|2,0,0]=4 95 B8R1.2 OCC1=NC=CC=C1 P1495 [2,0,0,0,0,0|1,0,1]=4 96 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F1700 [1,1,0,0,0,0|0,0,1]=3 97 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A18848 [1,1,0,0,0,0|0,0,1]=3 98 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 B11426 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.13 CC(C)C1=CC=C(S)C=C1 I0763 [1,1,0,0,0,0|0,0,1]=3 100 B10R1.13 CC(N)C1=CC=C(O)C=C1 T0856 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.13 CC(N)C1=CC=C(O)C=C1 T0856 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 C1062 [1,1,0,0,0,0|0,0,1]=3 103 B10R1.13 CC(O)C1=NC=C(Br)C=C1 B13828 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 M18854 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.13 CN(C)C1=CC=C(Br)C=C1 B5435 [1,1,0,0,0,0|1,0,1]=4 106 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B5986 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 A12653 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.13 FC(F)C1=CC=C(Br)C=C1 B9306 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 C18869 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.13 NC(=O)C1=CC=C(N)C=C1 A0176 [1,1,0,0,0,0|1,0,1]=4 111 B10R1.13 NC1=CC=C(C(=O)O)C=C1 A11243 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.13 NC1=CC=C(C(=O)O)C=C1 A11243 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A19387 [1,1,0,0,0,0|1,0,1]=4 114 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 B2712 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 C18851 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 F7471 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 B0745 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.13 O=C(O)C1=CC=C(F)C=C1 F0172 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.13 O=C(O)C1=CC=C(I)C=C1 I4019 [1,1,0,0,0,0|1,0,1]=4 120 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M3209 [1,1,0,0,0,0|1,0,1]=4 121 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M3209 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 S7517 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.13 O=S([O-])C1=CC=C(Cl)C=C1 C8973 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 C1352 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 F11154 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.28 CC(C)(C)C1=CC=NC=C1 T19209 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.61 CC(=O)C1=CC=CC=C1Br B8980 [1,1,0,0,0,0|0,0,1]=3 128 B10R1.61 CC(=O)C1=CC=CC=C1F F0912 [1,1,0,0,0,0|0,0,1]=3 129 B10R1.61 CC(=O)C1=CC=CC=C1N A0266 [1,1,0,0,0,0|0,0,1]=3 130 B10R1.61 CC(=O)C1=CC=CN=C1N A7312 [1,1,0,0,0,0|1,0,1]=4 131 B10R1.61 CC(=O)C1=NC=CC=C1N A12969 [1,1,0,0,0,0|1,0,1]=4 132 B10R1.61 CC1=CC=CC=C1C(=O)Cl M18896 [1,1,0,0,0,0|1,0,1]=4 133 B10R1.61 FC(F)C1=CC=CC=C1Br B9305 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 B9015 [1,1,0,0,0,0|1,0,1]=4 135 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 C18868 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.61 NC(=O)C1=C(O)C=CC=C1 S1278 [1,1,0,0,0,0|1,0,1]=4 137 B10R1.61 NC(=O)C1=CC=CC=C1N A16466 [1,1,0,0,0,0|1,0,1]=4 138 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 B9882 [1,1,0,0,0,0|1,0,1]=4 139 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 F7469 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.61 O=C(O)C1=C(O)C=CC=C1 S1290 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.61 O=C(O)C1=CC=CC=C1F F1796 [1,1,0,0,0,0|1,0,1]=4 142 B10R1.61 O=C(O)C1=CC=CC=C1I I1314 [1,1,0,0,0,0|1,0,1]=4 143 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 S7518 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CC=C1 C1351 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.61 O=[N+]([O-])C1=CC=CC=C1F F11152 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 B8981 [1,1,0,0,0,0|0,0,1]=3 147 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 A11417 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.113 CC(=O)C1=CC=CC(F)=C1 F0654 [1,1,0,0,0,0|0,0,1]=3 149 B10R1.113 CC(=O)C1=CC=CC(N)=C1 A0078 [1,1,0,0,0,0|0,0,1]=3 150 B10R1.113 CC(=O)C1=CN=CC(Br)=C1 A11415 [1,1,0,0,0,0|1,0,1]=4 151 B10R1.113 CC(=O)C1=NC=CC(C)=C1 A11428 [1,1,0,0,0,0|1,0,1]=4 152 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 C3699 [1,1,0,0,0,0|1,0,1]=4 153 B10R1.113 CC1=CC(C(=O)Cl)=CC=C1 M18897 [1,1,0,0,0,0|1,0,1]=4 154 B10R1.113 CN(C)C1=CC(O)=CC=C1 D1674 [1,1,0,0,0,0|1,0,1]=4 155 B10R1.113 C[C@@H](N)C1=CC(N)=CC=C1 A7282 [1,1,0,0,0,0|1,0,0]=3 156 B10R1.113 C[C@@H](N)C1=CC=CC(O)=C1 A7283 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.113 C[C@H](N)C1=CC(O)=CC=C1 A12640 [1,1,0,0,0,0|1,0,0]=3 158 B10R1.113 FC(F)C1=CC(Br)=CC=C1 B9307 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.113 NC(=O)C1=CC(N)=CC=C1 A0175 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.113 NC1=CC(C(=O)O)=CC=C1 A11244 [1,1,0,0,0,0|1,0,1]=4 161 B10R1.113 NC1=CC=CC([N+](=O)[O-])=C1 N1381 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 B9883 [1,1,0,0,0,0|1,0,1]=4 163 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 C18856 [1,1,0,0,0,0|1,0,1]=4 164 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 F7470 [1,1,0,0,0,0|1,0,1]=4 165 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 B9063 [1,1,0,0,0,0|1,0,1]=4 166 B10R1.113 O=C(O)C1=CC(O)=CC=C1 H16582 [1,1,0,0,0,0|1,0,1]=4 167 B10R1.113 O=C(O)C1=CC=CC(F)=C1 F0060 [1,1,0,0,0,0|1,0,1]=4 168 B10R1.113 O=C(O)C1=CC=CC(I)=C1 I4018 [1,1,0,0,0,0|1,0,1]=4 169 B10R1.113 O=C(O)C1=CC=CC(S)=C1 M11264 [1,1,0,0,0,0|1,0,1]=4 170 B10R1.113 O=[N+]([O-])C1=CC(Cl)=CC=C1 C1350 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.113 O=[N+]([O-])C1=CC(O)=CC=C1 N0309 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=C1 B0312 [1,1,0,0,0,0|2,0,0]=4 173 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 F11153 [1,1,0,0,0,0|2,0,0]=4 174 B10R1.1 CNCC1=CC=C(F)C=C1 F17963 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.1 ClC1=CC=C(CCBr)C=C1 B9884 [1,1,0,0,0,0|1,0,1]=4 176 B10R1.1 FC1=CC=C(CCBr)C=C1 B9148 [1,1,0,0,0,0|1,0,1]=4 177 B10R1.1 FC1=CC=C(CCCl)C=C1 C7477 [1,1,0,0,0,0|1,0,1]=4 178 B10R1.1 N#CCC1=CC=C(Br)C=C1 B0747 [1,1,0,0,0,0|1,0,1]=4 179 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C18852 [1,1,0,0,0,0|1,0,1]=4 180 B10R1.1 N#CCC1=CC=C(F)C=C1 F0758 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.1 N#CCC1=CC=C(N)C=C1 A0432 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.1 N#CCC1=CC=C(O)C=C1 H0435 [1,1,0,0,0,0|1,0,1]=4 183 B10R1.1 NC1=CC=C(CCO)C=C1 A6857 [1,1,0,0,0,0|0,0,2]=4 184 B10R1.1 NCCC1=CC=C(Br)C=C1 B2101 [1,1,0,0,0,0|1,0,1]=4 185 B10R1.1 NCCC1=CC=C(Cl)C=C1 C2522 [1,1,0,0,0,0|1,0,1]=4 186 B10R1.1 NCCC1=CC=C(N)C=C1 A18081 [1,1,0,0,0,0|1,0,1]=4 187 B10R1.1 NCCC1=CC=C(N)C=C1 A18082 [1,1,0,0,0,0|1,0,1]=4 188 B10R1.1 NCCC1=CC=C(O)C=C1 T0145 [1,1,0,0,0,0|1,0,1]=4 189 B10R1.1 NCCC1=CC=C(O)C=C1 T0145 [1,1,0,0,0,0|1,0,1]=4 190 B10R1.1 OCCC1=CC=C(Br)C=C1 B18704 [1,1,0,0,0,0|0,0,2]=4 191 B10R1.1 OCCC1=CC=C(F)C=C1 F4316 [1,1,0,0,0,0|0,0,2]=4 192 B10R1.1 [C-]#[N+]CC1=CC=C(Br)C=C1 B8836 [1,1,0,0,0,0|2,0,0]=4 193 B10R1.4 ClC1=C(CCBr)C=CC=C1 B9886 [1,1,0,0,0,0|1,0,1]=4 194 B10R1.4 FC1=C(CCBr)C=CC=C1 B9149 [1,1,0,0,0,0|1,0,1]=4 195 B10R1.4 N#CCC1=C(Br)C=CC=C1 B0604 [1,1,0,0,0,0|1,0,1]=4 196 B10R1.4 N#CCC1=CC=CC=C1Cl C5020 [1,1,0,0,0,0|1,0,1]=4 197 B10R1.4 N#CCC1=CC=CC=C1F F3993 [1,1,0,0,0,0|1,0,1]=4 198 B10R1.4 NCCC1=CC=CC=C1N A18075 [1,1,0,0,0,0|1,0,1]=4 199 B10R1.4 NCCC1=CC=CC=C1N A18076 [1,1,0,0,0,0|1,0,1]=4 200 B10R1.4 NCCC1=CC=CC=C1O A15642 [1,1,0,0,0,0|1,0,1]=4 201 B10R1.4 O=C=NC1=C(Br)C=CC=C1 B8927 [1,1,0,0,0,0|1,0,1]=4 202 B10R1.10 ClC1=CC(CCBr)=CC=C1 C9887 [1,1,0,0,0,0|1,0,1]=4 203 B10R1.10 N#CCC1=CC(N)=CC=C1 A0433 [1,1,0,0,0,0|1,0,1]=4 204 B10R1.10 N#CCC1=CC=CC(Br)=C1 B1331 [1,1,0,0,0,0|1,0,1]=4 205 B10R1.10 N#CCC1=CC=CC(Cl)=C1 C18898 [1,1,0,0,0,0|1,0,1]=4 206 B10R1.10 N#CCC1=CC=CC(F)=C1 F1335 [1,1,0,0,0,0|1,0,1]=4 207 B10R1.10 NCCC1=CC(F)=CC=C1 F11687 [1,1,0,0,0,0|1,0,1]=4 208 B10R1.10 NCCC1=CC(F)=CC=C1 F11687 [1,1,0,0,0,0|1,0,1]=4 209 B10R1.10 NCCC1=CC(N)=CC=C1 A18201 [1,1,0,0,0,0|1,0,1]=4 210 B10R1.10 NCCC1=CC=CC(Br)=C1 B18673 [1,1,0,0,0,0|1,0,1]=4 211 B10R1.10 NCCC1=CC=CC(O)=C1 H7973 [1,1,0,0,0,0|1,0,1]=4 212 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [1,1,0,0,0,0|1,0,1]=4 213 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [1,1,0,0,0,0|1,0,1]=4 214 B10R1.17 CNCCC1=CC=CC=C1 M12421 [1,1,0,0,0,0|1,0,1]=4 215 B10R1.17 ClCCOC1=CC=CC=C1 C3357 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.17 ClCOCC1=CC=CC=C1 B7431 [1,1,0,0,0,0|1,0,1]=4 217 B10R1.17 NCCOC1=CC=CC=C1 P3356 [1,1,0,0,0,0|1,0,1]=4 218 B10R1.17 OCCOC1=CC=CC=C1 P2904 [1,1,0,0,0,0|0,0,2]=4 219 B10R1.18 CC(=O)NC1=NC=CC=C1 A14929 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.18 CN(C)CC1=CC=CC=C1 D18840 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.18 N=C(N)CC1=CC=CC=C1 P13924 [1,1,0,0,0,0|1,0,0]=3 222 B10R1.18 N=C(N)CC1=CN=CC=C1 P13906 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.18 N=C(N)CC1=NC=CC=C1 P13905 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.18 N=C(N)NC1=CC=CC=C1 P8891 [1,1,0,0,0,0|2,0,0]=4 225 B10R1.18 N=C(N)SC1=CC=CC=C1 P13914 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 C7929 [1,1,0,0,0,0|1,0,0]=3 227 B10R1.18 NC(N)=NC1=CC=CC=C1 D8941 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.18 O=C(O)CC1=CC=CN=C1 P3052 [1,1,0,0,0,0|1,0,0]=3 229 B10R1.18 O=C(O)CC1=CC=NC=C1 P7971 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.18 O=C(O)CC1=NC=CC=C1 P7970 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.18 O=C(O)CC1=NC=CC=N1 P14936 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.23 NC(C(=O)O)C1=CSC=C1 A17994 [0,1,0,0,1,0|2,0,0]=4 233 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 A12787 [0,1,0,0,1,0|2,0,0]=4 234 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B7538 [0,1,0,0,0,1|0,0,2]=4 235 B12R1.43 CC(CC1=CC=NC=N1)C(=O)O M14751 [0,1,0,0,0,1|2,0,0]=4 236 B12R1.43 CC(CC1=NC=CC=N1)C(=O)O M14643 [0,1,0,0,0,1|2,0,0]=4 237 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O P0034 [0,1,0,0,0,1|2,0,0]=4 238 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A5988 [0,1,0,0,0,1|1,0,0]=3 239 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P0032 [0,1,0,0,0,1|2,0,0]=4 240 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O P7721 [0,1,0,0,0,1|2,0,0]=4 241 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O P7717 [0,1,0,0,0,1|2,0,0]=4 242 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O P0823 [0,1,0,0,0,1|1,0,0]=3 243 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O P7716 [0,1,0,0,0,1|2,0,0]=4 244 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O P0033 [0,1,0,0,0,1|2,0,0]=4 245 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O P7720 [0,1,0,0,0,1|2,0,0]=4 246 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 P7705 [0,1,0,0,0,1|1,0,0]=3 247 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H7711 [0,1,0,0,0,1|1,0,0]=3 248 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 P1200 [0,1,0,0,0,1|1,0,1]=4 249 B12R1.49 CCC(C)OC1=CC=C(Cl)C=C1 C8394 [0,1,0,0,0,1|1,0,1]=4 250 B12R1.118 CNC(CO)CC1=CC=CC=C1 M7684 [0,1,0,0,0,1|0,0,2]=4 251 B12R1.118 CNC(CO)CC1=CC=CC=C1 M9105 [0,1,0,0,0,1|0,0,2]=4 252 B12R1.9 CC(C)(CO)C1=CC=C(Cl)C=C1 C2973 [0,2,0,0,0,0|0,0,2]=4 253 B12R1.9 CC(C)(CO)C1=CC=C(Cl)C=C1 C2973 [0,2,0,0,0,0|0,0,2]=4 254 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 D2960 [0,2,0,0,0,0|0,0,0]=2 255 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 D2960 [0,2,0,0,0,0|0,0,0]=2 256 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 D7857 [0,2,0,0,0,0|1,0,0]=3 257 B12R1.12 O=CC(C=O)C1=CC=C(Br)C=C1 B10175 [0,2,0,0,0,0|0,0,1]=3 258 B12R1.13 O=CC(C=O)C1=CC(Br)=CC=C1 B10176 [0,2,0,0,0,0|0,0,1]=3 259 B12R1.478 CCC(C(N)=O)C1=CC=CC=C1 P0867 [0,2,0,0,0,0|0,0,0]=2 260 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 A13872 [0,2,0,0,0,0|1,0,1]=4 261 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 T7706 [0,2,0,0,0,0|0,0,0]=2 262 B12R1.16 O=C\C=C(\Cl)C1=CC=C(Cl)C=C1 C9065 [0,2,0,0,0,0|1,0,1]=4 263 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 A1934 [0,2,0,0,0,0|2,0,0]=4 264 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 A14509 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.107 NC(CC(=O)O)C1=NC=CC=C1 A14654 [0,2,0,0,0,0|2,0,0]=4 266 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A12635 [0,2,0,0,0,0|1,0,0]=3 267 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 A1932 [0,2,0,0,0,0|2,0,0]=4 268 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 A1933 [0,2,0,0,0,0|2,0,0]=4 269 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 H14844 [0,2,0,0,0,0|1,0,0]=3 270 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 C3480 [0,2,0,0,0,0|1,0,1]=4 271 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 A15457 [0,2,0,0,0,0|0,0,0]=2 272 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 M7642 [0,2,0,0,0,0|0,0,0]=2 273 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 H15811 [0,2,0,0,0,0|1,0,0]=3 274 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 C8423 [0,2,0,0,0,0|1,0,0]=3 275 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A8427 [0,2,0,0,0,0|1,0,0]=3 276 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A8427 [0,2,0,0,0,0|1,0,0]=3 277 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 F7800 [0,2,0,0,0,0|1,0,0]=3 278 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 H7018 [0,2,0,0,0,0|1,0,0]=3 279 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 A8426 [0,2,0,0,0,0|1,0,0]=3 280 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 F7801 [0,2,0,0,0,0|1,0,0]=3 281 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 H0212 [0,2,0,0,0,0|1,0,0]=3 282 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 H0212 [0,2,0,0,0,0|1,0,0]=3 283 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 B5333 [0,2,0,0,0,0|1,0,0]=3 284 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 M6928 [0,2,0,0,0,0|1,0,0]=3 285 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 F7822 [0,2,0,0,0,0|1,0,0]=3 286 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 F7822 [0,2,0,0,0,0|1,0,0]=3 287 B12R1.1703 O=CC(=O)C1=C(F)C=C(F)C=C1 D8511 [0,2,0,0,0,0|1,0,1]=4 288 B12R1.225 CC(C(=O)O)C1=CC=CC(Cl)=C1 C8387 [0,2,0,0,0,0|0,0,0]=2 289 B12R1.225 CC1=CC=CC(C(N)C(=O)O)=C1 A15379 [0,2,0,0,0,0|1,0,0]=3 290 B12R1.225 C[C@H](C1=CC(O)=CC=C1)N(C)C D7685 [0,2,0,0,0,0|2,0,0]=4 291 B12R1.225 NC(C(=O)O)C1=CC(Cl)=CC=C1 A13598 [0,2,0,0,0,0|1,0,0]=3 292 B12R1.225 NC(C(=O)O)C1=CC=CC(Cl)=C1 A15382 [0,2,0,0,0,0|1,0,0]=3 293 B12R1.225 NC(C(=O)O)C1=CC=CC(O)=C1 A13194 [0,2,0,0,0,0|1,0,0]=3 294 B12R1.225 N[C@H](C(=O)O)C1=CC(F)=CC=C1 A12800 [0,2,0,0,0,0|1,0,0]=3 295 B12R1.225 O=C(O)C(O)C1=CC(Br)=CC=C1 B10335 [0,2,0,0,0,0|1,0,0]=3 296 B12R1.435 N#CC1=CC=CC(C(=O)C=O)=C1 O15097 [0,2,0,0,0,0|1,0,1]=4 297 B12R1.124 CC(C(=O)O)C1=CC=CC=C1Cl C8390 [0,2,0,0,0,0|0,0,0]=2 298 B12R1.124 CC1=C([C@H](N)C(=O)O)C=CC=C1 A12803 [0,2,0,0,0,0|1,0,0]=3 299 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 C1482 [0,2,0,0,0,0|1,0,0]=3 300 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 C1482 [0,2,0,0,0,0|1,0,0]=3 301 B12R1.124 NC(C(=O)O)C1=CC=CC=C1O H07290 [0,2,0,0,0,0|1,0,0]=3 302 B12R1.124 NC(C(=O)O)C1=CC=CC=C1O H07290 [0,2,0,0,0,0|1,0,0]=3 303 B12R1.124 N[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 A8425 [0,2,0,0,0,0|1,0,0]=3 304 B12R1.124 N[C@@H](C(=O)O)C1=CC=CC=C1Cl C17752 [0,2,0,0,0,0|1,0,0]=3 305 B12R1.124 N[C@H](C(=O)O)C1=CC=CC=C1Cl A2655 [0,2,0,0,0,0|1,0,0]=3 306 B12R1.124 O=C(O)C(Br)C1=C(Cl)C=CC=C1 B3794 [0,2,0,0,0,0|1,0,0]=3 307 B12R1.124 O=C(O)C(F)C1=CC=CC=C1Br F10428 [0,2,0,0,0,0|1,0,0]=3 308 B12R1.124 O=C(O)C(O)C1=CC=CC=C1Br B10336 [0,2,0,0,0,0|1,0,0]=3 309 B12R1.124 O=C(O)C(O)C1=CC=CC=C1Cl C6929 [0,2,0,0,0,0|1,0,0]=3 310 B12R1.124 O=C(O)[C@@H](O)C1=C(Cl)C=CC=C1 C0528 [0,2,0,0,0,0|1,0,0]=3 311 B12R1.124 O=C(O)[C@H](O)C1=CC=CC=C1Cl C6930 [0,2,0,0,0,0|1,0,0]=3 312 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P4799 [1,0,0,1,0,0|0,0,1]=3 313 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P4800 [1,0,0,1,0,0|0,0,1]=3 314 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P4800 [1,0,0,1,0,0|0,0,1]=3 315 B10R2.7 C1=CC2=C(C=C1)[S+]=CS2 B10645 [1,0,0,1,0,0|1,1,0]=4 316 B10R2.7 C1=CC=C2OC=CC2=C1 B1365 [1,0,0,1,0,0|0,0,2]=4 317 B10R2.7 C1=CC=C2OC=CC2=C1 B1365 [1,0,0,1,0,0|0,0,2]=4 318 B12R2.18 CC1CC2=C(C=CC=C2)N1N M11609 [0,0,0,1,0,1|2,0,0]=4 319 B12R2.18 CC1CC2=C(C=CC=C2)N1N M11610 [0,0,0,1,0,1|2,0,0]=4 320 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O I12742 [0,0,0,1,0,1|1,0,1]=4 321 B12R2.18 O=C1NC2=CC=CC=C2C1=O I0531 [0,0,0,1,0,1|1,0,1]=4 322 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M17739 [0,0,0,1,0,1|1,0,1]=4 323 B12R2.24 CC1=NC2=CC=CC=C2C=C1 Q0957 [0,0,0,1,0,1|1,0,1]=4 324 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 I0657 [0,0,0,1,0,1|0,0,2]=4 325 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 B7588 [0,0,0,1,0,1|1,0,1]=4 326 B12R2.1 NCC1=CNC2=CC=CC=C12 A15949 [0,1,0,1,0,0|1,0,1]=4 327 B12R2.1 O=CC1=CNC2=CC=CC=C12 I5032 [0,1,0,1,0,0|0,0,2]=4 328 B12R2.1 O=CC1=NNC2=CC=CC=C21 I7267 [0,1,0,1,0,0|1,0,1]=4 329 B12R2.1 OCC1=CNC2=C1C=CC=C2 I4944 [0,1,0,1,0,0|1,0,1]=4 330 B12R2.2 C1=CC=C(C2CCCN2)C=C1 P12434 [0,1,0,1,0,0|1,0,1]=4 331 B12R2.2 C1=CC=C(C2CCNC2)C=C1 P12433 [0,1,0,1,0,0|1,0,1]=4 332 B12R2.1081 CC1NCCC2=C1C=CC=C2 M19306 [0,1,0,1,0,0|1,0,1]=4 333 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 P16661 [0,1,0,1,0,0|1,0,1]=4 334 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 P16660 [0,1,0,1,0,0|1,0,1]=4 335 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 B9580 [0,1,0,1,0,0|1,0,0]=3 336 B12R2.612 CN1C=CC2=CC(N)=CC=C21 A18685 [0,1,0,1,0,0|2,0,0]=4 337 B12R2.132 CC1=CNC2=CC=C(Br)C=C12 B12404 [0,1,0,1,0,0|1,0,1]=4 338 B12R2.132 CC1=CNC2=CC=C(F)C=C12 F7241 [0,1,0,1,0,0|1,0,1]=4 339 B12R2.132 CC1=CSC2=C1C=C(Cl)C=C2 C3943 [0,1,0,1,0,0|0,1,1]=4 340 B12R2.196 CC1=CSC2=C(Cl)C=CC=C12 C3941 [0,1,0,1,0,0|0,1,1]=4 341 B12R2.196 CN1C=CC2=C1C=CC=C2N A18078 [0,1,0,1,0,0|2,0,0]=4 342 B8R1.7 CC(=O)C1=CC=CN1 A0582 [1,0,0,0,1,0|1,0,1]=4 343 B8R1.7 CC(=O)C1=CC=CO1 A1473 [1,0,0,0,1,0|1,0,1]=4 344 B8R1.7 CC(=O)C1=CC=CS1 A0583 [1,0,0,0,1,0|1,0,1]=4 345 B8R1.7 CC(=O)C1=CNC=C1 P7297 [1,0,0,0,1,0|1,0,1]=4 346 B12R1.27 CC(CO)NCC1=CC=CC=C1 B14686 [0,0,0,0,0,2|0,0,2]=4