0 B10R1.15 CCC(=O)C1=CC=CC=C1 P18860 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 E6698 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.15 CC[C@H](N)C1=CC=CC=C1 E6699 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.15 C\C(=N/O)C1=CC=CN=C1 P17578 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.15 C\C(=N\O)C1=NC=CC=C1 P13970 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.15 N=C(NN)C1=CC=NC=C1 P17572 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 NCC(=O)C1=CC=CC=C1 A17693 [0,0,0,0,0,0|1,0,1]=2 7 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A14785 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.15 NC[C@H](O)C1=CC=CC=C1 A18262 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.15 NNC(=O)C1=CC=NC=C1 I1876 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.15 N\C(=N\O)C1=CC=CC=C1 B13505 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.15 N\N=C(\N)C1=CC=NC=C1 P13010 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.15 O=C(CBr)C1=CC=CC=C1 B17692 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.15 O=C(CBr)C1=CC=CN=C1 B18473 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P4802 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P4801 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P4801 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.15 [C@@H](N)(CO)C1=CC=CC=C1 P5892 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.15 [C@@H](N)(CO)C1=CC=CC=C1 P5892 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 P1975 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.6 CC(=O)C1=CN=CC=C1 P2763 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.6 CC(=O)C1=NC=CC=C1 A1164 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.6 CN(C)C1=CC=NC=C1 D2370 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.6 C[C@@H](N)C1=CC=CC=C1 M5022 [1,0,0,0,0,0|0,0,0]=1 24 B9R1.6 C[C@H](N)C1=CC=CC=C1 M5997 [1,0,0,0,0,0|0,0,0]=1 25 B9R1.6 N=C(N)C1=CC=CC=C1 B11293 [1,0,0,0,0,0|1,0,1]=3 26 B9R1.6 N=C(N)C1=CC=CC=C1 B13002 [1,0,0,0,0,0|1,0,1]=3 27 B9R1.6 N=C(N)C1=CC=CC=C1 T1538 [1,0,0,0,0,0|1,0,1]=3 28 B9R1.6 N=C(N)C1=CC=CN=C1 P13006 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.6 N=C(N)C1=NC=CC=C1 P13904 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.6 N=C(\C1=CC=NC=C1)N P13011 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.6 NC(=O)C1=CC=NC=C1 P1409 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.6 OB(O)C1=CC=CC=C1 N2145 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.8 BrCCC1=CC=CC=C1 B1499 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.8 BrCCC1=NC=CC=C1 B18468 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.8 CCC[N+]1=CC=CC=C1 P9114 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.8 CNCC1=CC=CC=C1 C12471 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.8 CNCC1=CN=CC=C1 M13405 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.8 C\N=C/C1=CC=CC=C1 B11532 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.8 NCCC1=CC=CC=C1 P18797 [1,0,0,0,0,0|0,0,0]=1 40 B9R1.8 NCCC1=CC=CC=C1 P19425 [1,0,0,0,0,0|0,0,0]=1 41 B9R1.8 NCCC1=CC=CC=N1 P3233 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.8 NCCC1=CC=CN=C1 A18111 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.8 NCCC1=CC=NC=C1 A18195 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.8 NCCC1=CN=CC=C1 A12910 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.8 NNCC1=CC=CC=C1 B8798 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.8 NOCC1=CC=CC=C1 B7490 [1,0,0,0,0,0|1,0,0]=2 47 B9R1.8 NOCC1=CC=CC=C1 B7490 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.8 OCCC1=NC=CC=C1 P0121 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.8 OCCC1=NC=CN=C1 H13361 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.8 O\N=C/C1=CC=CC=C1 B18348 [1,0,0,0,0,0|2,0,1]=4 51 B11R1.12 CCC(C#N)C1=CC=CC=C1 P4793 [0,1,0,0,0,0|0,0,2]=3 52 B11R1.12 OCC(CO)C1=CC=CC=C1 P11674 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.16 CN(CCO)C1=NC=CC=C1 M17929 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.16 CNCC(O)C1=CC=CC=C1 M12439 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.16 NC(CCO)C1=CC=CN=C1 A14587 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.16 O=C(CCCl)C1=CC=CC=C1 C4696 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C7851 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C7852 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 B9585 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 C1333 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 A3785 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.22 CCC(O)C1=CC=C(N)C=C1 A14442 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 A18144 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 A9264 [0,1,0,0,0,0|1,0,1]=3 65 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 A8579 [0,1,0,0,0,0|1,0,1]=3 66 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 A15527 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 B9681 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 C7845 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 B2812 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 B2675 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 B9674 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 C5512 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 H4787 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.22 [C-]#[N+]C(C)C1=CC=C(Br)C=C1 B9443 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 C7784 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.23 CCC(=O)C1=CC=CC(F)=C1 F3998 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.23 CCC(=O)C1=CC=CC(O)=C1 H4015 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 A3766 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.23 NNC(=O)C1=CC(Br)=CC=C1 B9680 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.23 NNC(=O)C1=CC=CC(F)=C1 F4422 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 C10453 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 B9586 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 B9586 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 P18879 [0,1,0,0,0,0|1,0,1]=3 85 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 P6188 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 P6912 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 P6912 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 M0801 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 H0511 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.222 CCC(=O)C1=CC=CC=C1F F0510 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.222 NCC(O)C1=CC=CC=C1Cl A14632 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.222 O=C(CBr)C1=CC=CC=C1Br B19214 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl C10454 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.222 OC[C@@H](O)C1=C(Cl)C=CC=C1 C18779 [0,1,0,0,0,0|2,0,0]=3 97 B11R2.1 BrC1=NNC2=CC=CC=C21 B4442 [0,0,0,1,0,0|2,0,1]=4 98 B11R2.1 CC1=CNC2=CC=CC=C12 M2187 [0,0,0,1,0,0|0,0,2]=3 99 B11R2.1 CC1=CNC2=CC=CC=C12 M2187 [0,0,0,1,0,0|0,0,2]=3 100 B11R2.1 CC1=CSC2=C1C=CC=C2 M3947 [0,0,0,1,0,0|1,0,2]=4 101 B11R2.1 CN1N=CC2=CC=CC=C21 M15342 [0,0,0,1,0,0|3,0,0]=4 102 B11R2.1 ClC1=NNC2=CC=CC=C21 C15605 [0,0,0,1,0,0|2,0,1]=4 103 B11R2.1 ClC1CCC2=CC=CC=C21 C17006 [0,0,0,1,0,0|2,0,0]=3 104 B11R2.1 IC1=NNC2=CC=CC=C21 I7268 [0,0,0,1,0,0|2,0,1]=4 105 B11R2.1 NC1CCC2=CC=CC=C21 I17072 [0,0,0,1,0,0|2,0,0]=3 106 B11R2.1 O=C1CCC2=CC=CC=C12 I4017 [0,0,0,1,0,0|2,0,1]=4 107 B11R2.1 O=C1COC2=C1C=CC=C2 C11757 [0,0,0,1,0,0|2,0,1]=4 108 B11R2.1 OC1CCC2=CC=CC=C21 I17073 [0,0,0,1,0,0|2,0,0]=3 109 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 M17930 [0,0,0,0,0,1|1,0,2]=4 110 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 A2030 [0,0,0,0,0,1|2,0,0]=3 111 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [0,0,0,0,0,1|2,0,0]=3 112 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [0,0,0,0,0,1|2,0,0]=3 113 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C7816 [0,0,0,0,0,1|2,0,1]=4 114 B8R1.2 C#CC1=CC=CC=C1 P18887 [2,0,0,0,0,0|0,0,2]=4 115 B8R1.2 CC[N+]1=CC=CC=C1 E8507 [2,0,0,0,0,0|1,0,0]=3 116 B8R1.2 COC1=CC=NC=C1 M3232 [2,0,0,0,0,0|2,0,0]=4 117 B8R1.2 COC1=CC=NC=C1 M3232 [2,0,0,0,0,0|2,0,0]=4 118 B8R1.2 ClCC1=CC=CN=C1 C1770 [2,0,0,0,0,0|2,0,0]=4 119 B8R1.2 ClCC1=CC=NC=C1 C2804 [2,0,0,0,0,0|2,0,0]=4 120 B8R1.2 ClCC1=NC=CC=C1 C5538 [2,0,0,0,0,0|2,0,0]=4 121 B8R1.2 NCC1=CC=CN=C1 P2319 [2,0,0,0,0,0|1,0,0]=3 122 B8R1.2 NCC1=NC=CC=N1 A13173 [2,0,0,0,0,0|2,0,0]=4 123 B8R1.2 OCC1=NC=CC=C1 P1495 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F1700 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A18848 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.13 CC(C)C1=CC=C(S)C=C1 I0763 [1,1,0,0,0,0|0,0,0]=2 127 B10R1.13 CC(N)C1=CC=C(O)C=C1 T0856 [1,1,0,0,0,0|0,0,0]=2 128 B10R1.13 CC(N)C1=CC=C(O)C=C1 T0856 [1,1,0,0,0,0|0,0,0]=2 129 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 C1062 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.13 CC(O)C1=NC=C(Br)C=C1 B13828 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.13 CC1=CC=C(C(=N)N)C=C1 M13863 [1,1,0,0,0,0|1,0,1]=4 132 B10R1.13 CN(C)C1=CC=C(Br)C=C1 B5435 [1,1,0,0,0,0|1,0,0]=3 133 B10R1.13 CN(C)C1=CC=C(N)C=N1 D17190 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.13 CN(C)C1=CC=[N+]([O-])C=C1 D12728 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B5986 [1,1,0,0,0,0|0,0,0]=2 136 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 A12653 [1,1,0,0,0,0|0,0,0]=2 137 B10R1.13 FC(F)C1=CC=C(Br)C=C1 B9306 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 B13676 [1,1,0,0,0,0|1,0,1]=4 139 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 C13004 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.13 N=C(N)C1=CC=C(F)C=C1 F12780 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.13 N=C(N)C1=CC=C(I)C=C1 I16414 [1,1,0,0,0,0|1,0,1]=4 142 B10R1.13 N=C(N)C1=CC=C(N)C=C1 A18192 [1,1,0,0,0,0|1,0,1]=4 143 B10R1.13 N=C(N)C1=CC=C(N)C=C1 A9362 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.13 N=C(N)C1=CC=C(O)C=C1 C7930 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.13 N=C(N)C1=CC=C(O)C=C1 H13795 [1,1,0,0,0,0|1,0,1]=4 146 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 C18869 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.13 NC(=O)C1=CC=C(N)C=C1 A0176 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 B9721 [1,1,0,0,0,0|1,0,1]=4 149 B10R1.13 NC(=S)C1=CC=C(N)C=C1 A5434 [1,1,0,0,0,0|1,0,1]=4 150 B10R1.28 CC(C)(C)C1=CC=NC=C1 T19209 [1,1,0,0,0,0|1,0,0]=3 151 B10R1.61 CC(=O)C1=CC=CC=C1Br B8980 [1,1,0,0,0,0|1,0,1]=4 152 B10R1.61 CC(=O)C1=CC=CC=C1F F0912 [1,1,0,0,0,0|1,0,1]=4 153 B10R1.61 CC(=O)C1=CC=CC=C1N A0266 [1,1,0,0,0,0|1,0,1]=4 154 B10R1.61 CC1=CC=CC=C1C(=N)N M13850 [1,1,0,0,0,0|1,0,1]=4 155 B10R1.61 FC(F)C1=CC=CC=C1Br B9305 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.61 N=C(N)C1=C(O)C=CC=C1 H13821 [1,1,0,0,0,0|1,0,1]=4 157 B10R1.61 N=C(N)C1=CC=CC=C1Br B13674 [1,1,0,0,0,0|1,0,1]=4 158 B10R1.61 N=C(N)C1=CC=CC=C1Cl C13733 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.61 N=C(N)C1=CC=CC=C1F F14049 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 B9015 [1,1,0,0,0,0|1,0,1]=4 161 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 C18868 [1,1,0,0,0,0|1,0,1]=4 162 B10R1.61 NC(=O)C1=C(O)C=CC=C1 S1278 [1,1,0,0,0,0|1,0,1]=4 163 B10R1.61 NC(=O)C1=CC=CC=C1N A16466 [1,1,0,0,0,0|1,0,1]=4 164 B10R1.61 NC(=S)C1=C(Br)C=CC=C1 B9723 [1,1,0,0,0,0|1,0,1]=4 165 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 B8981 [1,1,0,0,0,0|1,0,1]=4 166 B10R1.113 CC(=O)C1=CC=CC(F)=C1 F0654 [1,1,0,0,0,0|1,0,1]=4 167 B10R1.113 CC(=O)C1=CC=CC(N)=C1 A0078 [1,1,0,0,0,0|1,0,1]=4 168 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 C3699 [1,1,0,0,0,0|1,0,0]=3 169 B10R1.113 CC1=CC(C(=N)N)=CC=C1 M13856 [1,1,0,0,0,0|1,0,1]=4 170 B10R1.113 CC1=CC(C(=N)N)=CC=C1 M19426 [1,1,0,0,0,0|1,0,1]=4 171 B10R1.113 CN(C)C1=CC(O)=CC=C1 D1674 [1,1,0,0,0,0|1,0,0]=3 172 B10R1.113 C[C@@H](N)C1=CC(N)=CC=C1 A7282 [1,1,0,0,0,0|0,0,0]=2 173 B10R1.113 C[C@@H](N)C1=CC=CC(O)=C1 A7283 [1,1,0,0,0,0|0,0,0]=2 174 B10R1.113 C[C@H](N)C1=CC(O)=CC=C1 A12640 [1,1,0,0,0,0|0,0,0]=2 175 B10R1.113 FC(F)C1=CC(Br)=CC=C1 B9307 [1,1,0,0,0,0|2,0,0]=4 176 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 B13675 [1,1,0,0,0,0|1,0,1]=4 177 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 C13735 [1,1,0,0,0,0|1,0,1]=4 178 B10R1.113 N=C(N)C1=CC=CC(F)=C1 F14047 [1,1,0,0,0,0|1,0,1]=4 179 B10R1.113 NC(=O)C1=CC(N)=CC=C1 A0175 [1,1,0,0,0,0|1,0,1]=4 180 B10R1.113 NC(=S)C1=CC(Cl)=CC=C1 C7888 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.1 CCOC1=CC=C(I)C=C1 I10965 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.1 CNCC1=CC=C(F)C=C1 F17963 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.1 ClC1=CC=C(CCBr)C=C1 B9884 [1,1,0,0,0,0|1,0,0]=3 184 B10R1.1 FC1=CC=C(CCBr)C=C1 B9148 [1,1,0,0,0,0|1,0,0]=3 185 B10R1.1 FC1=CC=C(CCCl)C=C1 C7477 [1,1,0,0,0,0|1,0,0]=3 186 B10R1.1 N#CCC1=CC=C(Br)C=C1 B0747 [1,1,0,0,0,0|0,0,2]=4 187 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C18852 [1,1,0,0,0,0|0,0,2]=4 188 B10R1.1 N#CCC1=CC=C(F)C=C1 F0758 [1,1,0,0,0,0|0,0,2]=4 189 B10R1.1 N#CCC1=CC=C(N)C=C1 A0432 [1,1,0,0,0,0|0,0,2]=4 190 B10R1.1 N#CCC1=CC=C(O)C=C1 H0435 [1,1,0,0,0,0|0,0,2]=4 191 B10R1.1 NC1=CC=C(CCO)C=C1 A6857 [1,1,0,0,0,0|1,0,0]=3 192 B10R1.1 NCCC1=CC=C(Br)C=C1 B2101 [1,1,0,0,0,0|0,0,0]=2 193 B10R1.1 NCCC1=CC=C(Cl)C=C1 C2522 [1,1,0,0,0,0|0,0,0]=2 194 B10R1.1 NCCC1=CC=C(N)C=C1 A18081 [1,1,0,0,0,0|0,0,0]=2 195 B10R1.1 NCCC1=CC=C(N)C=C1 A18082 [1,1,0,0,0,0|0,0,0]=2 196 B10R1.1 NCCC1=CC=C(O)C=C1 T0145 [1,1,0,0,0,0|0,0,0]=2 197 B10R1.1 NCCC1=CC=C(O)C=C1 T0145 [1,1,0,0,0,0|0,0,0]=2 198 B10R1.1 OCCC1=CC=C(Br)C=C1 B18704 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.1 OCCC1=CC=C(F)C=C1 F4316 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.1 [C-]#[N+]CC1=CC=C(Br)C=C1 B8836 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.4 ClC1=C(CCBr)C=CC=C1 B9886 [1,1,0,0,0,0|1,0,0]=3 202 B10R1.4 FC1=C(CCBr)C=CC=C1 B9149 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.4 N#CCC1=C(Br)C=CC=C1 B0604 [1,1,0,0,0,0|0,0,2]=4 204 B10R1.4 N#CCC1=CC=CC=C1Cl C5020 [1,1,0,0,0,0|0,0,2]=4 205 B10R1.4 N#CCC1=CC=CC=C1F F3993 [1,1,0,0,0,0|0,0,2]=4 206 B10R1.4 NCCC1=CC=CC=C1N A18075 [1,1,0,0,0,0|0,0,0]=2 207 B10R1.4 NCCC1=CC=CC=C1N A18076 [1,1,0,0,0,0|0,0,0]=2 208 B10R1.4 NCCC1=CC=CC=C1O A15642 [1,1,0,0,0,0|0,0,0]=2 209 B10R1.10 CC1=CC=CC(CCBr)=N1 B13336 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.10 CCCC1=CC=CC(N)=N1 P17223 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.10 CCOC1=CC(Br)=CC=C1 B18703 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.10 CCOC1=CC(F)=CC=C1 F5499 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.10 CCOC1=CC=CC(S)=C1 E1129 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.10 ClC1=CC(CCBr)=CC=C1 C9887 [1,1,0,0,0,0|1,0,0]=3 215 B10R1.10 FCOC1=CC(Br)=CC=C1 F5304 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.10 N#CCC1=CC(N)=CC=C1 A0433 [1,1,0,0,0,0|0,0,2]=4 217 B10R1.10 N#CCC1=CC=CC(Br)=C1 B1331 [1,1,0,0,0,0|0,0,2]=4 218 B10R1.10 N#CCC1=CC=CC(Cl)=C1 C18898 [1,1,0,0,0,0|0,0,2]=4 219 B10R1.10 N#CCC1=CC=CC(F)=C1 F1335 [1,1,0,0,0,0|0,0,2]=4 220 B10R1.10 NCCC1=CC(F)=CC=C1 F11687 [1,1,0,0,0,0|0,0,0]=2 221 B10R1.10 NCCC1=CC(F)=CC=C1 F11687 [1,1,0,0,0,0|0,0,0]=2 222 B10R1.10 NCCC1=CC(N)=CC=C1 A18201 [1,1,0,0,0,0|0,0,0]=2 223 B10R1.10 NCCC1=CC=CC(Br)=C1 B18673 [1,1,0,0,0,0|0,0,0]=2 224 B10R1.10 NCCC1=CC=CC(O)=C1 H7973 [1,1,0,0,0,0|0,0,0]=2 225 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [1,1,0,0,0,0|1,0,0]=3 226 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [1,1,0,0,0,0|1,0,0]=3 227 B10R1.17 CCCCC1=CC=CN=C1 B11443 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.17 CCCCC1=NC=CC=C1 B11448 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.17 CCCC[N+]1=CC=CC=C1 B7889 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.17 CCCC[N+]1=CC=CC=C1 B9727 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.17 CNCCC1=CC=CC=C1 M12421 [1,1,0,0,0,0|0,0,0]=2 232 B10R1.17 CNCCC1=CC=NC=C1 M12425 [1,1,0,0,0,0|1,0,0]=3 233 B10R1.17 CNCCC1=NC=CC=C1 B5398 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.17 CNCCC1=NC=CC=C1 B6262 [1,1,0,0,0,0|1,0,0]=3 235 B10R1.17 ClCCOC1=CC=CC=C1 C3357 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.17 ClCOCC1=CC=CC=C1 B7431 [1,1,0,0,0,0|1,0,0]=3 237 B10R1.17 NCCOC1=CC=CC=C1 P3356 [1,1,0,0,0,0|0,0,0]=2 238 B10R1.17 OCCOC1=CC=CC=C1 P2904 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.18 CN(C)CC1=CC=CC=C1 D18840 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.18 N=C(N)CC1=CC=CC=C1 P13924 [1,1,0,0,0,0|0,0,1]=3 241 B10R1.18 N=C(N)CC1=CN=CC=C1 P13906 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.18 N=C(N)CC1=NC=CC=C1 P13905 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.18 N=C(N)NC1=CC=CC=C1 P8891 [1,1,0,0,0,0|1,0,1]=4 244 B10R1.18 N=C(N)SC1=CC=CC=C1 P13914 [1,1,0,0,0,0|1,0,1]=4 245 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 C7929 [1,1,0,0,0,0|1,0,1]=4 246 B10R1.18 NC(N)=NC1=CC=CC=C1 D8941 [1,1,0,0,0,0|1,0,1]=4 247 B12R1.32 C#CCN(C)CC1=CC=CC=C1 P8832 [0,1,0,0,0,1|2,0,0]=4 248 B12R1.32 CNCC(=O)CC1=CC=CC=C1 M5866 [0,1,0,0,0,1|1,0,1]=4 249 B12R1.34 N[C@@H](CO)[C@@H](O)C1=CC=CC=C1 A0003 [0,1,0,0,0,1|2,0,0]=4 250 B12R1.49 CCC(C)OC1=CC=C(Cl)C=C1 C8394 [0,1,0,0,0,1|1,0,0]=3 251 B12R1.118 CNC(CO)CC1=CC=CC=C1 M7684 [0,1,0,0,0,1|1,0,0]=3 252 B12R1.118 CNC(CO)CC1=CC=CC=C1 M9105 [0,1,0,0,0,1|1,0,0]=3 253 B12R1.9 CC(C)(CO)C1=CC=C(Cl)C=C1 C2973 [0,2,0,0,0,0|1,0,0]=3 254 B12R1.9 CC(C)(CO)C1=CC=C(Cl)C=C1 C2973 [0,2,0,0,0,0|1,0,0]=3 255 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 D2960 [0,2,0,0,0,0|1,0,1]=4 256 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 D2960 [0,2,0,0,0,0|1,0,1]=4 257 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 D7857 [0,2,0,0,0,0|1,0,1]=4 258 B12R1.3 CCN(CCCl)C1=CC=CC=C1 C8346 [0,2,0,0,0,0|2,0,0]=4 259 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 D7654 [0,2,0,0,0,0|2,0,0]=4 260 B12R1.12 CCN(CC)C1=CC=C([NH3+])C=C1 D12727 [0,2,0,0,0,0|2,0,0]=4 261 B12R1.478 CCC(C(N)=O)C1=CC=CC=C1 P0867 [0,2,0,0,0,0|0,0,1]=3 262 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 A13872 [0,2,0,0,0,0|0,0,0]=2 263 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 T7706 [0,2,0,0,0,0|1,0,1]=4 264 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 S1319 [0,2,0,0,0,0|1,0,0]=3 265 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 S1319 [0,2,0,0,0,0|1,0,0]=3 266 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 S6266 [0,2,0,0,0,0|1,0,0]=3 267 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 S9173 [0,2,0,0,0,0|1,0,0]=3 268 B12R1.16 NC(CCO)C1=CC=C(Br)C=C1 B18648 [0,2,0,0,0,0|2,0,0]=4 269 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 A14594 [0,2,0,0,0,0|2,0,0]=4 270 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 A14601 [0,2,0,0,0,0|2,0,0]=4 271 B12R1.16 NC1=CC=C(C(N)CCO)C=C1 A18162 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 B18642 [0,2,0,0,0,0|2,0,0]=4 273 B12R1.17 NC(CCO)C1=CC(F)=CC=C1 A14599 [0,2,0,0,0,0|2,0,0]=4 274 B12R1.17 NC1=CC([C@@H](N)CCO)=CC=C1 A18163 [0,2,0,0,0,0|2,0,0]=4 275 B12R1.17 N[C@@H](CCO)C1=CC=CC(Br)=C1 B18643 [0,2,0,0,0,0|2,0,0]=4 276 B12R1.17 N[C@@H](CCO)C1=CC=CC(Br)=C1 B18644 [0,2,0,0,0,0|2,0,0]=4 277 B12R1.30 CNCCC(Cl)C1=CC=CC=C1 M9900 [0,2,0,0,0,0|1,0,0]=3 278 B12R1.30 CNCCC(O)C1=CC=CC=C1 M0082 [0,2,0,0,0,0|1,0,0]=3 279 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A12635 [0,2,0,0,0,0|2,0,0]=4 280 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 H14844 [0,2,0,0,0,0|2,0,0]=4 281 B12R1.308 NC(CCO)C1=C(F)C=CC=C1 A15486 [0,2,0,0,0,0|2,0,0]=4 282 B12R1.308 NC1=CC=CC=C1C(N)CCO A18165 [0,2,0,0,0,0|2,0,0]=4 283 B12R1.308 NC1=CC=CC=C1[C@@H](N)CCO A18164 [0,2,0,0,0,0|2,0,0]=4 284 B12R1.5 COC1=CC=C(C(O)CN)C=C1 A14661 [0,2,0,0,0,0|1,0,0]=3 285 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 A15457 [0,2,0,0,0,0|1,0,1]=4 286 B12R1.20 CC(N)C(O)C1=CC=C(Cl)C=C1 A3681 [0,2,0,0,0,0|1,0,0]=3 287 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 M7642 [0,2,0,0,0,0|1,0,1]=4 288 B12R1.367 NCC(O)C1=CC(Cl)=C(Cl)C=C1 A14662 [0,2,0,0,0,0|1,0,0]=3 289 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 N7803 [0,2,0,0,0,0|1,0,0]=3 290 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 N4951 [0,2,0,0,0,0|1,0,0]=3 291 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 N4951 [0,2,0,0,0,0|1,0,0]=3 292 B12R1.1703 NCC(=O)C1=C(F)C=C(F)C=C1 A7858 [0,2,0,0,0,0|1,0,1]=4 293 B12R1.1703 NCC(=O)C1=CC=C(Cl)C=C1Cl A9188 [0,2,0,0,0,0|1,0,1]=4 294 B12R1.225 CC(C(=O)O)C1=CC=CC(Cl)=C1 C8387 [0,2,0,0,0,0|1,0,1]=4 295 B12R1.225 C[C@H](C1=CC(O)=CC=C1)N(C)C D7685 [0,2,0,0,0,0|2,0,0]=4 296 B12R1.124 CC(C(=O)O)C1=CC=CC=C1Cl C8390 [0,2,0,0,0,0|1,0,1]=4 297 B12R1.564 CC(C)(C)C(N)C1=CC=CC=C1 D7600 [0,2,0,0,0,0|2,0,0]=4 298 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P4799 [1,0,0,1,0,0|1,0,0]=3 299 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P4800 [1,0,0,1,0,0|1,0,0]=3 300 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P4800 [1,0,0,1,0,0|1,0,0]=3 301 B10R2.7 C1=CC2=C(C=C1)OCO2 M1431 [1,0,0,1,0,0|2,0,0]=4 302 B10R2.7 C1=CN=C2CCCC2=C1 C2921 [1,0,0,1,0,0|2,0,0]=4 303 B10R2.7 C1=CN=C2NCCC2=C1 D12529 [1,0,0,1,0,0|1,0,0]=3 304 B12R2.18 CC1CC2=C(C=CC=C2)N1N M11609 [0,0,0,1,0,1|1,0,0]=3 305 B12R2.18 CC1CC2=C(C=CC=C2)N1N M11610 [0,0,0,1,0,1|1,0,0]=3 306 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O A7187 [0,0,0,1,0,1|1,0,0]=3 307 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O A6026 [0,0,0,1,0,1|1,0,0]=3 308 B12R2.18 O[C@H]1C2=C(C=CC=C2)C[C@@H]1Br B9587 [0,0,0,1,0,1|2,0,0]=4 309 B12R2.24 NC1CNC2=C(C=CC=C2)C1 A12895 [0,0,0,1,0,1|1,0,0]=3 310 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T11003 [0,0,0,1,0,1|2,0,0]=4 311 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 I15653 [0,0,0,1,0,1|0,0,2]=4 312 B12R2.2403 NC1(O)CCC2=C1C=CC=C2 A15409 [0,1,0,1,0,0|2,0,0]=4 313 B12R2.1 NCC1=CNC2=CC=CC=C12 A15949 [0,1,0,1,0,0|0,0,2]=4 314 B12R2.1 OCC1=CNC2=C1C=CC=C2 I4944 [0,1,0,1,0,0|0,0,2]=4 315 B12R2.2 C1=CC=C(C2=NCCC2)C=C1 P14087 [0,1,0,1,0,0|1,0,1]=4 316 B12R2.2 C1=CC=C(C2CCCN2)C=C1 P12434 [0,1,0,1,0,0|1,0,0]=3 317 B12R2.2 C1=CC=C(C2CCCN2)N=C1 P17214 [0,1,0,1,0,0|2,0,0]=4 318 B12R2.2 C1=CC=C(C2CCNC2)C=C1 P12433 [0,1,0,1,0,0|0,0,0]=2 319 B12R2.1081 CC1NCCC2=C1C=CC=C2 M19306 [0,1,0,1,0,0|1,0,0]=3 320 B12R2.1081 NC1CCNC2=CC=CC=C21 T16044 [0,1,0,1,0,0|1,0,0]=3 321 B12R2.132 CC1=CC=C2CCC(Cl)C2=C1 C17003 [0,1,0,1,0,0|2,0,0]=4 322 B12R2.132 CC1=CC=C2CCC(N)C2=C1 M17107 [0,1,0,1,0,0|2,0,0]=4 323 B12R2.132 CC1=CNC2=CC=C(Br)C=C12 B12404 [0,1,0,1,0,0|0,0,2]=4 324 B12R2.132 CC1=CNC2=CC=C(F)C=C12 F7241 [0,1,0,1,0,0|0,0,2]=4 325 B8R1.8 NCCC1=CC=CS1 T0651 [1,0,0,0,1,0|1,0,0]=3 326 B8R1.8 NCCC1=CNC=N1 H2293 [1,0,0,0,1,0|2,0,0]=4 327 B8R1.8 NCCC1=CNC=N1 H2389 [1,0,0,0,1,0|2,0,0]=4 328 B8R1.8 NCCC1=CSC=C1 A18159 [1,0,0,0,1,0|1,0,0]=3 329 B8R1.8 NCCN1C=CN=C1 E19344 [1,0,0,0,1,0|2,0,0]=4 330 B8R1.8 NCCN1C=CN=C1 I12545 [1,0,0,0,1,0|2,0,0]=4 331 B8R1.8 OCCC1=CC=CS1 T0443 [1,0,0,0,1,0|2,0,0]=4 332 B12R1.27 CC(CO)NCC1=CC=CC=C1 B14686 [0,0,0,0,0,2|1,0,0]=3 333 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B9098 [0,0,0,0,0,2|1,0,1]=4 334 B12R1.27 NCC(O)COC1=CC=CC=C1 A13152 [0,0,0,0,0,2|1,0,0]=3