0 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,0,0,0,0,0|2,0,2]=4 14 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,0,0,0,0,0|0,0,1]=2 28 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,0,0,0,0,0|1,0,1]=3 30 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [1,0,0,0,0,0|1,0,1]=3 32 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [1,0,0,0,0,0|1,0,1]=3 33 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,0,0,0,0,0|1,0,2]=4 35 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,0,0,0,0,0|1,0,2]=4 36 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [1,0,0,0,0,0|1,0,1]=3 38 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,0,0,0,0,0|2,0,1]=4 44 B12R1.32 C/C(=C\C1=CC=CC=C1)/C=N/O S626856 [0,1,0,0,0,0|0,0,1]=2 45 B12R1.32 C=CCN(C)CC1=CC=CC=C1 S879746 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.32 O=C(/C=N/O)NC1=CC=CC=C1 PH000185 [0,1,0,0,0,0|2,0,1]=4 47 B12R1.32 O=CNC(=O)CC1=CC=CC=C1 S909793 [0,1,0,0,0,0|1,0,1]=3 48 B12R1.32 O=CNC(=O)NC1=CC=CC=C1 S856495 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.34 C/C(=C(/N)\C1=CC=CC=C1)/C#N S238449 [0,1,0,0,0,0|1,0,1]=3 50 B12R1.34 CC(C#N)C(=O)C1=CC=CC=C1 S452645 [0,1,0,0,0,0|1,0,2]=4 51 B12R1.34 CC(C1=CC=CC=C1)N(C)N=O PH001188 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.34 CC(CCl)C(=O)C1=CC=CC=C1 S919217 [0,1,0,0,0,0|1,0,2]=4 53 B12R1.34 O=C(C1=CC=CC=C1)/C(=N/O)/Cl PH002865 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.43 CC(=O)N(C)NC1=CC=CC=C1 S548928 [0,1,0,0,0,0|2,0,0]=3 55 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [0,1,0,0,0,0|0,0,2]=3 56 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [0,1,0,0,0,0|0,0,2]=3 57 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [0,1,0,0,0,0|0,0,2]=3 58 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [0,1,0,0,0,0|1,0,1]=3 59 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O EME00360 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N PH015234 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.43 CN(CC1=CC=CC=C1)C(=O)Cl PH008817 [0,1,0,0,0,0|1,0,1]=3 62 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N CBR01175 [0,1,0,0,0,0|1,1,1]=4 63 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [0,1,0,0,0,0|1,0,2]=4 64 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Br S808768 [0,1,0,0,0,0|1,0,0]=2 65 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl PH009328 [0,1,0,0,0,0|1,0,0]=2 66 B12R1.43 O=C(O)/C(=C/C1=CC=CN=C1)/F CDS021801 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.43 O=C(O)/C(=C\C1=CC=CC=C1)/Cl PH004529 [0,1,0,0,0,0|1,0,0]=2 68 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [0,1,0,0,0,0|1,0,2]=4 69 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [0,1,0,0,0,0|1,0,2]=4 70 B12R1.43 O=[N+]([O-])/C(=C/C1=CC=CC=C1)/Br PH008680 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.49 CC(=CC1=CC=C(C=C1)F)C#N S448060 [0,1,0,0,0,0|1,0,1]=3 72 B12R1.118 C/N=C(\NC1=CC=CC=C1)/SC S630055 [0,1,0,0,0,0|3,0,0]=4 73 B12R2.18 CC1=C(C2=CC=CN=C2N1)I PHB00180 [0,0,0,1,0,0|3,0,0]=4 74 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S439762 [0,0,0,1,0,0|3,0,0]=4 75 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S570850 [0,0,0,1,0,0|3,0,0]=4 76 B12R2.18 CN1CC2=C(C1=O)C=CC=C2 S701564 [0,0,0,1,0,0|1,0,1]=3 77 B12R2.18 CN1SC2=C(C1=S)C=CC=C2 S875511 [0,0,0,1,0,0|2,1,0]=4 78 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 PH011260 [0,0,0,1,0,0|3,0,0]=4 79 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [0,0,0,1,0,0|2,0,0]=3 80 B12R2.24 CC1=NC2=C(C=C1)C=NC=C2 PH008439 [0,0,0,1,0,0|3,0,0]=4 81 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [0,0,0,1,0,0|1,1,1]=4 82 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ADE000831 [0,0,0,1,0,0|3,0,0]=4 83 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 S619213 [0,0,0,1,0,0|2,0,0]=3 84 B12R2.24 ClC1=CC2=C(C=CC=C2)C=N1 PH006843 [0,0,0,1,0,0|3,0,0]=4 85 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [0,0,0,1,0,0|3,0,0]=4 86 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [0,0,0,1,0,0|3,0,0]=4 87 B12R2.24 IC1=CN=C2C=CC=NC2=C1 ADE000848 [0,0,0,1,0,0|3,0,0]=4 88 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [0,0,0,1,0,0|2,0,0]=3 89 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.24 NC1=CN=C2C=CC=NC2=C1 ADE000870 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [0,0,0,1,0,0|2,0,0]=3 94 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [0,0,0,1,0,0|3,0,0]=4 95 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [0,0,0,1,0,0|3,0,0]=4 96 B12R2.32 N#CC1=CC2=C(O1)C=CC=C2 R700967 [0,0,0,1,0,0|2,0,1]=4 97 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 CDS001804 [0,0,0,1,0,0|2,0,1]=4 98 B12R2.32 NCC1=CC2=C(S1)C=CC=C2 CDS017817 [0,0,0,1,0,0|2,0,1]=4 99 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 PH006841 [0,0,0,1,0,0|2,0,0]=3 100 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,0,0,0,1,0|1,0,0]=2 101 B10R1.15 C/C(=N\O)/C1=CC=NC=C1 S101478 [0,0,0,0,1,0|2,0,1]=4 102 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [0,0,0,0,1,0|2,0,1]=4 103 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,0,0,0,1,0|2,0,1]=4 104 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [0,0,0,0,1,0|1,0,2]=4 105 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [0,0,0,0,1,0|2,0,1]=4 106 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [0,0,0,0,1,0|2,0,1]=4 107 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [0,0,0,0,1,0|2,0,0]=3 108 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [0,0,0,0,1,0|2,0,1]=4 109 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [0,0,0,0,1,0|2,0,1]=4 110 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,0,0,0,1,0|3,0,0]=4 111 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [0,0,0,0,1,0|2,0,1]=4 112 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [0,0,0,0,1,0|3,0,0]=4 113 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [0,0,0,0,1,0|2,0,1]=4 114 B10R1.27 C/C(=C\C1=CC=CO1)/C=O PH011362 [0,0,0,0,1,0|1,0,0]=2 115 B12R1.27 C/C(=N\O)/C=C/C1=CC=CC=C1 R396273 [0,0,0,0,0,1|1,0,1]=3 116 B12R1.27 C=CC(C)CSC1=CC=CC=C1 T215546 [0,0,0,0,0,1|1,0,2]=4 117 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [0,0,0,0,0,1|2,0,1]=4 118 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [1,0,1,0,0,0|1,0,1]=4 119 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [2,0,0,0,0,0|1,0,1]=4 120 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [2,0,0,0,0,0|1,0,0]=3 122 B9R1.8 CNNC1=CC=CC=C1 PH012261 [2,0,0,0,0,0|2,0,0]=4 123 B11R1.1 C(=O)NNC1=CC=C(C=C1)C R751820 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.1 CC1=CC=C(C=C1)C=CC#N S434132 [1,1,0,0,0,0|1,0,1]=4 125 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [1,1,0,0,0,0|0,0,2]=4 126 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [1,1,0,0,0,0|0,0,2]=4 127 B11R1.1 O=CNNC1=CC=C(C=C1)Br PH007135 [1,1,0,0,0,0|2,0,0]=4 128 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [1,1,0,0,0,0|1,0,1]=4 129 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [1,1,0,0,0,0|1,0,1]=4 130 B11R1.16 N#C/C=C(\Cl)/C1=CC=CC=C1 JRD0649 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.16 N#C/C=C(\N)/C1=CC=CC=C1 PH006853 [1,1,0,0,0,0|1,0,1]=4 132 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [1,1,0,0,0,0|1,0,1]=4 133 B11R1.17 N#C/C=C/C1=CC=CC=C1I S849502 [1,1,0,0,0,0|1,0,1]=4 134 B11R1.17 N#CC=CC1=CC=CC=C1Cl S428108 [1,1,0,0,0,0|1,0,1]=4 135 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [1,1,0,0,0,0|1,0,1]=4 136 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [1,1,0,0,0,0|1,0,1]=4 137 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [1,1,0,0,0,0|1,0,1]=4 138 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [1,1,0,0,0,0|1,0,1]=4 139 B11R1.28 Cl/C=C/CSC1=CC=CC=C1 S722243 [1,1,0,0,0,0|1,0,1]=4 140 B11R1.28 O/N=C/C=C/C1=CC=CC=C1 S566209 [1,1,0,0,0,0|0,0,1]=3 141 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [1,1,0,0,0,0|0,0,0]=2 142 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [1,1,0,0,0,0|1,0,1]=4 143 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [1,1,0,0,0,0|1,0,1]=4 145 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [1,1,0,0,0,0|1,0,1]=4 146 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [1,1,0,0,0,0|0,0,0]=2 147 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [1,1,0,0,0,0|1,0,0]=3 148 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [1,1,0,0,0,0|1,0,0]=3 149 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [1,1,0,0,0,0|0,0,0]=2 150 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [1,1,0,0,0,0|0,0,0]=2 151 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [1,1,0,0,0,0|0,0,2]=4 152 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [1,1,0,0,0,0|1,0,1]=4 154 B11R1.91 O=[N+]([O-])/C=C/C1=CC=CN=C1 R437166 [1,1,0,0,0,0|2,0,0]=4 155 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [1,1,0,0,0,0|0,0,1]=3 156 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [1,1,0,0,0,0|0,0,1]=3 157 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [1,1,0,0,0,0|0,0,1]=3 158 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [1,1,0,0,0,0|0,0,1]=3 159 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [1,1,0,0,0,0|1,0,1]=4 160 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [1,1,0,0,0,0|1,0,0]=3 161 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [1,1,0,0,0,0|1,0,0]=3 162 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [1,1,0,0,0,0|1,0,0]=3 163 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [1,1,0,0,0,0|1,0,0]=3 166 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [1,1,0,0,0,0|1,0,1]=4 167 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [1,1,0,0,0,0|1,0,1]=4 170 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [1,1,0,0,0,0|0,0,1]=3 176 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [1,1,0,0,0,0|1,0,1]=4 179 B11R1.36 CN(N)C(=N)C1=CC=CC=C1 S32361 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [1,1,0,0,0,0|1,0,1]=4 181 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [1,1,0,0,0,0|1,0,1]=4 182 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [1,1,0,0,0,0|1,0,1]=4 183 B11R1.86 C/[N+](=C/C1=C(C=CC=C1)O)/[O-] L170356 [1,1,0,0,0,0|1,0,1]=4 184 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [1,1,0,0,0,0|0,0,1]=3 186 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [1,1,0,0,0,0|1,0,1]=4 187 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.86 CC(=O)NC1=NC=CC=C1Cl T300071 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [1,1,0,0,0,0|1,0,0]=3 195 B11R1.86 CC(=O)ON1C=CC=CC1=O T301086 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [1,1,0,0,0,0|1,0,1]=4 197 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [1,1,0,0,0,0|1,0,1]=4 199 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [1,1,0,0,0,0|1,0,1]=4 200 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [1,1,0,0,0,0|0,0,1]=3 208 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [1,1,0,0,0,0|1,0,0]=3 210 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [1,1,0,0,0,0|1,0,0]=3 211 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [1,1,0,0,0,0|1,0,0]=3 212 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [1,1,0,0,0,0|1,0,1]=4 218 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [1,1,0,0,0,0|1,0,1]=4 219 B11R1.12 CC/C(=N/O)/C1=CC=CC=C1 S799947 [0,1,0,0,1,0|1,0,1]=4 220 B11R1.12 CC/C(=N\O)/C1=CC=CC=C1 PH011544 [0,1,0,0,1,0|1,0,1]=4 221 B11R1.12 N#C/C(=C\O)/C1=CC=CC=C1 PH010982 [0,1,0,0,1,0|0,0,2]=4 222 B11R1.12 N#CC(C=O)C1=CC=CC=C1 PH011096 [0,1,0,0,1,0|0,0,2]=4 223 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [0,1,0,0,1,0|1,0,1]=4 224 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [0,1,0,0,1,0|1,0,1]=4 225 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [0,1,0,0,1,0|1,0,1]=4 226 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [0,1,0,0,1,0|2,0,0]=4 227 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [0,1,0,0,1,0|1,0,1]=4 228 B11R1.22 CN(C=O)C1=CC=C(C=C1)N PH009942 [0,1,0,0,1,0|1,0,0]=3 229 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [0,1,0,0,1,0|1,0,1]=4 230 B11R1.35 C/C(=C\C1=CC=CS1)/[N+](=O)[O-] TMT00067 [0,1,0,0,1,0|2,0,0]=4 231 B11R1.84 C(=O)/C(=C/C1=CC=CO1)/C#N L306681 [0,1,0,0,1,0|1,0,1]=4 232 B11R1.84 C(=O)/C(=C/C1=CC=CS1)/C#N L132764 [0,1,0,0,1,0|1,0,1]=4 233 B11R1.84 C(=O)C(=CC1=CC=CS1)C=O L307459 [0,1,0,0,1,0|1,0,1]=4 234 B13R1.42 C/C(=C\C#N)/CCC1=CC=CC=C1 R160423 [0,1,0,0,0,1|1,0,1]=4 235 B13R1.42 O=C(/C=C/C1=CC=CC=C1)/C=N/O PH007040 [0,1,0,0,0,1|1,0,1]=4 236 B13R1.351 C/C(=N\NC1=CC=CC=C1)/C(=O)N R260665 [0,1,0,0,0,1|1,0,0]=3 237 B13R1.351 C/C(=N\NC1=CC=CC=C1)/C(=O)O R260630 [0,1,0,0,0,1|1,0,0]=3 238 B13R1.351 CC(=O)/C(=N/NC1=CC=CC=C1)/C S17265 [0,1,0,0,0,1|1,0,0]=3 239 B13R1.351 CC(=O)/C(=N\NC1=CC=CC=C1)/Cl S282227 [0,1,0,0,0,1|2,0,0]=4 240 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 PH009541 [0,1,0,0,0,1|1,0,1]=4 241 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O PH010131 [0,1,0,0,0,1|0,0,2]=4 242 B13R1.351 C[C@H](SCC1=CC=CC=C1)C(=O)O PH017935 [0,1,0,0,0,1|0,0,2]=4 243 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 CDS007841 [0,1,0,0,0,1|1,0,1]=4 244 B13R1.44 C(=O)NNC(=S)NC1=CC=CC=C1 S869368 [0,2,0,0,0,0|2,0,0]=4 245 B13R1.348 CC(=CC1=CC=CC=C1)CC(=O)N PH011402 [0,2,0,0,0,0|0,0,0]=2 246 B13R1.348 CC(=O)NC(=CC1=CC=CC=C1)Cl S286737 [0,2,0,0,0,0|1,0,0]=3 247 B13R1.348 CC(=O)NC(=O)NC1=CC=CC=C1 S340561 [0,2,0,0,0,0|2,0,0]=4 248 B13R1.348 CC(=O)NC(=S)NC1=CC=CC=C1 S785733 [0,2,0,0,0,0|2,0,0]=4 249 B13R1.348 C[C@H](CC1=CC=CC=C1)NC(=O)N PH008163 [0,2,0,0,0,0|0,0,2]=4 250 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 T332364 [0,2,0,0,0,0|1,0,1]=4 251 B13R1.348 NC(=O)NC(=O)NC1=CC=CC=C1 S862673 [0,2,0,0,0,0|2,0,0]=4 252 B13R1.348 NC(=O)NC(=S)NC1=CC=CC=C1 S862681 [0,2,0,0,0,0|2,0,0]=4 253 B13R1.21 C/C(=N\O)/C(=O)C1=CC=C(C=C1)Cl PH004967 [0,2,0,0,0,0|1,0,1]=4 254 B13R1.21 CC1=CC=C(C=C1)C(=O)/C(=N/O)/C R738859 [0,2,0,0,0,0|1,0,1]=4 255 B13R1.152 CC(C(=O)O)C(C)C1=CC=CC=C1 S697214 [0,2,0,0,0,0|0,0,2]=4 256 B13R1.152 C[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 T292249 [0,2,0,0,0,0|0,0,2]=4 257 B13R1.152 O=C(O)/C(=C(/Br)\C1=CC=CC=C1)/Br S731374 [0,2,0,0,0,0|1,0,0]=3 258 B13R1.133 C/C(=C/C1=CC=C(C=C1)Cl)/[N+](=O)[O-] S536563 [0,2,0,0,0,0|1,0,0]=3 259 B13R1.133 C/C(=C\C1=CC=C(C=C1)Br)/[N+](=O)[O-] PH011092 [0,2,0,0,0,0|1,0,0]=3 260 B13R1.133 C/C(=C\C1=CC=C(C=C1)Cl)/C(=O)O S808687 [0,2,0,0,0,0|0,0,0]=2 261 B13R1.133 C/C(=C\C1=CC=C(C=C1)F)/[N+](=O)[O-] S447099 [0,2,0,0,0,0|1,0,0]=3 262 B13R1.133 CC(CC1=CC=C(C=C1)O)C(=O)O PH008203 [0,2,0,0,0,0|0,0,2]=4 263 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O CDS005545 [0,2,0,0,0,0|1,0,1]=4 264 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O R750298 [0,2,0,0,0,0|1,0,1]=4 265 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O PH009975 [0,2,0,0,0,0|1,0,1]=4 266 B13R1.133 CC1=CC=C(C=C1)/C=C(/C)\C(=O)O S280100 [0,2,0,0,0,0|0,0,0]=2 267 B13R1.133 CC1=CC=C(C=C1)/C=C(\C)/[N+](=O)[O-] S620793 [0,2,0,0,0,0|1,0,0]=3 268 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O R245267 [0,2,0,0,0,0|0,0,2]=4 269 B13R1.133 C[C@H](CC1=CC=C(C=C1)N)C(=O)O PH001854 [0,2,0,0,0,0|0,0,2]=4 270 B13R1.133 NC1=CC=C(C=C1)NC(=O)C(=O)O PH010859 [0,2,0,0,0,0|2,0,0]=4 271 B13R1.148 C/C(=C/C1=CC=CC(=C1)N)/C(=O)O PH008849 [0,2,0,0,0,0|0,0,0]=2 272 B13R1.148 C/C(=C\C1=CC(=CC=C1)Br)/C(=O)O L129372 [0,2,0,0,0,0|0,0,0]=2 273 B13R1.148 C/C(=C\C1=CC(=CC=C1)Cl)/C(=O)O R151122 [0,2,0,0,0,0|0,0,0]=2 274 B13R1.148 CC(OC1=CC=CC(=C1)F)C(=O)O CDS002341 [0,2,0,0,0,0|1,0,1]=4 275 B13R1.148 CC1=CC(=CC=C1)/C=C(\C)/C(=O)O R151041 [0,2,0,0,0,0|0,0,0]=2 276 B13R1.148 CC1=CC=CC(=C1)/C=C(\C)/[N+](=O)[O-] PH014783 [0,2,0,0,0,0|1,0,0]=3 277 B13R1.148 O=C(O)/C(=C/C1=CC(=CC=C1)O)/S PH000774 [0,2,0,0,0,0|1,0,0]=3 278 B13R1.148 O=C(O)/C(=C/C1=CC=CC(=C1)Cl)/S S762601 [0,2,0,0,0,0|1,0,0]=3 279 B13R1.148 O=C(O)C(=S)CC1=CC(=CC=C1)O R627119 [0,2,0,0,0,0|1,0,1]=4 280 B13R1.202 C/C(=C\C1=C(C=CC=C1)Cl)/C(=O)O S808695 [0,2,0,0,0,0|0,0,0]=2 281 B13R1.202 C/C(=C\C1=CC=CC=C1F)/[N+](=O)[O-] PH014782 [0,2,0,0,0,0|1,0,0]=3 282 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)O R425818 [0,2,0,0,0,0|1,0,1]=4 283 B13R1.202 CC(OC1=CC=CC=C1F)C(=O)O CDS011686 [0,2,0,0,0,0|1,0,1]=4 284 B13R1.202 CC1=C(C=CC=C1)/C=C(\C)/[N+](=O)[O-] PH014796 [0,2,0,0,0,0|1,0,0]=3 285 B13R1.202 CC1=CC=CC=C1OC(C)C(=O)O PH010162 [0,2,0,0,0,0|1,0,1]=4 286 B13R1.353 O=S(=O)(O)/C(=C/C1=CC=CC=C1)/Cl T164119 [0,2,0,0,0,0|2,0,0]=4 287 B13R1.418 CC/C(=C\C1=CC=CC=C1)/C(=O)O S808326 [0,2,0,0,0,0|0,0,0]=2 288 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)N PH008852 [0,2,0,0,0,0|0,0,2]=4 289 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O PH010776 [0,2,0,0,0,0|1,0,1]=4 290 B13R1.418 N#C/C(=C/C1=CC=CC=C1)/C(=O)N S929662 [0,2,0,0,0,0|0,0,1]=3 291 B13R1.418 N#C/C(=C\C1=CC=CN=C1)/C(=O)O R437735 [0,2,0,0,0,0|1,0,1]=4 292 B13R1.418 O=C(O)/C(=C/C1=CC=CC=C1)/CBr S808709 [0,2,0,0,0,0|0,0,0]=2 293 B13R1.1073 CC(=O)C(C)(Cl)CC1=CC=CC=C1 S567248 [0,2,0,0,0,0|0,0,2]=4 294 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)N PH007307 [0,2,0,0,0,0|0,0,2]=4 295 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)N PH001417 [0,2,0,0,0,0|1,0,1]=4 296 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O PH010089 [0,2,0,0,0,0|1,0,1]=4 297 B13R1.1073 CC(C)(SC1=CC=CC=C1)C(=O)O OTV000153 [0,2,0,0,0,0|1,0,1]=4 298 B13R1.5 C(=O)/C(=C/C1=CC=C(C=C1)OC)/C S941565 [0,2,0,0,0,0|0,0,0]=2 299 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [1,0,0,1,0,0|2,0,0]=4 300 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [1,0,0,1,0,0|1,0,1]=4 301 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [1,0,0,1,0,0|2,0,0]=4 302 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [1,0,0,1,0,0|1,1,0]=4 303 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [1,0,0,1,0,0|2,0,0]=4 304 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [1,0,0,1,0,0|1,0,0]=3 305 B11R2.20 C1=CC2=CN=CC=C2N=C1 ADE000839 [1,0,0,1,0,0|2,0,0]=4 306 B11R2.20 C1=CC2=[N+](C=C1)C=CC=N2 S29867 [1,0,0,1,0,0|2,0,0]=4 307 B11R2.20 C1=CN=C2N=CC=CC2=C1 CDS021459 [1,0,0,1,0,0|2,0,0]=4 308 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [1,0,0,1,0,0|1,0,1]=4 309 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [1,0,0,1,0,0|2,0,0]=4 310 B11R2.36 CC1=CC2=C(N=C1)NC=C2 ADE000939 [0,0,0,1,1,0|2,0,0]=4 311 B13R2.10 CC1=CC(=NO1)C2=CC=CC=C2 PH004014 [0,0,0,1,0,1|2,0,0]=4 312 B13R2.10 CC1=NC(=CN1)C2=CC=CC=C2 CBR02038 [0,0,0,1,0,1|2,0,0]=4 313 B13R2.10 CC1=NC(=NO1)C2=CC=CC=C2 CDS000772 [0,0,0,1,0,1|2,0,0]=4 314 B13R2.10 CC1=NC=C(O1)C2=CC=CC=C2 PH010637 [0,0,0,1,0,1|2,0,0]=4 315 B13R2.10 CC1=NNC(=C1)C2=CC=CC=C2 L496162 [0,0,0,1,0,1|2,0,0]=4 316 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)N S779156 [0,0,0,1,0,1|1,0,0]=3 317 B13R2.32 CC1=C(C2=C(C=CC=C2)N=C1)C PH006874 [0,0,0,1,0,1|1,0,0]=3 318 B13R2.32 CC1=C(C=NC2=C1C=CC=C2)N R262064 [0,0,0,1,0,1|2,0,0]=4 319 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S11313 [0,0,0,1,0,1|2,0,0]=4 320 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S832863 [0,0,0,1,0,1|2,0,0]=4 321 B13R2.32 CC1=[N+](C2=C(C=CC=C2)N=C1)[O-] PH008273 [0,0,0,1,0,1|1,0,1]=4 322 B13R2.32 CN1C=NC2=CC=CC=C2C1=O PH003333 [0,0,0,1,0,1|1,0,0]=3 323 B13R2.32 ClC1=C(C2=CC=CC=C2N=C1)Br BBO000622 [0,0,0,1,0,1|2,0,0]=4 324 B13R2.32 ClC1=C(C=NC2=C1C=CC=C2)I SYX00306 [0,0,0,1,0,1|2,0,0]=4 325 B13R2.32 ClC1=C(C=NC2=CC=CC=C12)Br BBO000332 [0,0,0,1,0,1|2,0,0]=4 326 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)Cl S287989 [0,0,0,1,0,1|2,0,0]=4 327 B13R2.32 NC1=C(C2=CC=CC=C2C=C1)O CDS000188 [0,0,0,1,0,1|1,0,1]=4 328 B13R2.32 NC1=C(C=NC2=C1C=CC=C2)Br BBO000629 [0,0,0,1,0,1|2,0,0]=4 329 B13R2.32 OC1=C(C=NC2=C1C=CC=C2)I SYX00005 [0,0,0,1,0,1|1,0,1]=4 330 B13R2.32 OC1=C(C=NC2=CC=CC=C12)Br BBO000325 [0,0,0,1,0,1|1,0,1]=4 331 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 T176389 [0,0,0,1,0,1|2,0,0]=4 332 B13R2.57 C(=O)C1=CC=C2C=CC=NC2=C1 CDS007586 [0,0,0,1,0,1|1,0,1]=4 333 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 CDS013832 [0,0,0,1,0,1|1,0,1]=4 334 B13R2.57 O=CC1=CC2=C(C=CC=N2)N=C1 ADE000863 [0,0,0,1,0,1|1,0,1]=4 335 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 CDS008037 [0,0,0,1,0,1|0,0,1]=3 336 B13R2.57 O=CC1=CN=C2C=CC=CC2=N1 CDS015095 [0,0,0,1,0,1|1,0,0]=3 337 B13R2.57 O=CC1=NN=C2C=CC=CC2=C1 PH017680 [0,0,0,1,0,1|1,0,1]=4 338 B13R2.373 O=C1C=C(C1=O)C2=CC=CC=C2 L160377 [0,0,0,1,0,1|1,0,0]=3 339 B13R2.15 BrC1=C(ON=C1)C2=CC=CC=C2 JRD0111 [0,1,0,1,0,0|1,0,1]=4 340 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 CDS000781 [0,1,0,1,0,0|2,0,0]=4 341 B13R2.26 C(=O)NC1=NC2=C(S1)C=CC=C2 S653187 [0,1,0,1,0,0|2,0,0]=4 342 B13R2.64 C1=CC=C(C=C1)SC2=COCC2 T251194 [0,1,0,1,0,0|1,0,1]=4 343 B13R2.64 C1=CC=C(C=C1)[Se]C2=CCCO2 T292648 [0,1,0,1,0,0|2,0,0]=4 344 B13R2.135 CC1=C(C2=C(N1)N=CC=C2)C=O CDS023582 [0,1,0,1,0,0|2,0,0]=4 345 B13R2.135 CC1=C(C2=CC=CC=C2O1)C#N T327042 [0,1,0,1,0,0|2,0,0]=4 346 B13R2.135 CC1=C(C2=CC=CC=C2O1)C=O CDS002371 [0,1,0,1,0,0|1,0,0]=3 347 B13R2.328 CC1=CC(=O)N2=CC=CC=C2N1 OTV000974 [0,1,0,1,0,0|2,0,0]=4 348 B13R2.328 CC1=CC(=O)N2C=CC=CC2=N1 T320765 [0,1,0,1,0,0|2,0,0]=4 349 B13R2.328 CC1=NC2=CC=CC=C2C(=N1)Cl ANV00241 [0,1,0,1,0,0|2,0,0]=4 350 B13R2.328 NC1=CC2=CC=CC=C2C(=N1)Br PH009726 [0,1,0,1,0,0|2,0,0]=4 351 B13R2.328 NC1=NC2=CC=CC=C2C(=O)N1 CDS020257 [0,1,0,1,0,0|2,0,0]=4 352 B13R2.328 O=C1SC(=NC2=C1C=CC=C2)S S275190 [0,1,0,1,0,0|2,0,0]=4 353 B13R2.328 OC1=CC2=C(C=CC=C2)C(=N1)O S943460 [0,1,0,1,0,0|1,0,1]=4 354 B13R2.328 [NH+]1=C(C2=C(C=CC=C2)N=C1C)O R663514 [0,1,0,1,0,0|1,0,1]=4 355 B13R2.45 C(=O)C1=C(C2=C(O1)C=CC=C2)C L169501 [0,1,0,1,0,0|1,0,0]=3 356 B13R2.45 CN1C(=NC2=C1C=CC=C2)C=O PH010767 [0,1,0,1,0,0|1,0,0]=3 357 B13R2.45 CN1C2=CC=NC=C2N=C1C=O PH017414 [0,1,0,1,0,0|2,0,0]=4 358 B13R2.45 CN1C2=CC=NC=C2N=C1C=O PH019013 [0,1,0,1,0,0|2,0,0]=4 359 B13R2.45 N/C=C/1\CC2=C(C1=O)C=CC=C2 PH000641 [0,1,0,1,0,0|1,0,0]=3 360 B13R2.45 NCC1=C(C2=CC=CC=C2S1)Cl CBR01694 [0,1,0,1,0,0|2,0,0]=4 361 B13R2.3085 C1(C(=O)C2=C(C1=O)C=CC=C2)C R152196 [0,1,0,1,0,0|0,0,1]=3 362 B13R2.3085 CN1C(=O)C2=CC=CC=C2C1O PH000353 [0,1,0,1,0,0|1,0,1]=4 363 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [0,1,0,1,0,0|1,0,0]=3 364 B13R2.369 CC1=CC2=C(C=CC=C2)C=[N+]1C S676535 [0,1,0,1,0,0|2,0,0]=4 365 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [0,1,0,1,0,0|0,0,0]=2 366 B13R2.369 CC1=NC2=C(C=CC=C2)N=C1C R530735 [0,1,0,1,0,0|2,0,0]=4 367 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [0,1,0,1,0,0|0,0,2]=4 368 B13R2.369 CC1CC2=CC=CC=C2OC1=O T217115 [0,1,0,1,0,0|0,0,2]=4 369 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O R227021 [0,1,0,1,0,0|1,0,1]=4 370 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O JRD0784 [0,1,0,1,0,0|1,0,1]=4 371 B13R2.369 CC1SC2=CC=CC=C2NC1=O JRD0961 [0,1,0,1,0,0|1,0,1]=4 372 B13R2.369 N=C1NC2=CC=CC=C2OC1=O T319554 [0,1,0,1,0,0|2,0,0]=4 373 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl PH009408 [0,1,0,1,0,0|2,0,0]=4 374 B13R2.369 O=C1SC2=C(C=CC=C2)C=C1Cl S849499 [0,1,0,1,0,0|1,0,0]=3 375 B13R2.435 CC(=O)C1=CN2C=CC=CC2=C1 PH014750 [0,1,0,1,0,0|1,0,1]=4 376 B13R2.435 CC(=O)C1=NC2=C(S1)C=CC=C2 CDS003776 [0,1,0,1,0,0|2,0,0]=4 377 B13R2.435 NC(=O)C1=CC2=C(O1)C=CC=C2 S815276 [0,1,0,1,0,0|1,0,0]=3 378 B13R2.435 NC(=O)C1=NC2=C(S1)C=CC=C2 PH011186 [0,1,0,1,0,0|2,0,0]=4 379 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 CDS009698 [0,1,0,1,0,0|2,0,0]=4 380 B13R2.435 O=C(O)C1=CN2C=CC=CC2=C1 CDS009157 [0,1,0,1,0,0|1,0,1]=4 381 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 CDS020355 [0,1,0,1,0,0|2,0,0]=4 382 B13R2.42 CC1=CC=C(C=C1)[C@@H]2C[C@H]2C=O PH018823 [0,1,0,1,0,0|0,0,2]=4 383 B13R2.43 O=CC1=CC2=CC(=CC=C2O1)Br CDS015785 [0,1,0,1,0,0|1,0,0]=3 384 B13R2.43 O=CC1=CC2=CC(=CN=C2O1)Br ADE001211 [0,1,0,1,0,0|2,0,0]=4 385 B13R2.43 O=CC1=CC2=CC(=CN=C2O1)Cl ADE001209 [0,1,0,1,0,0|2,0,0]=4 386 B13R2.43 O=CC1=CC2=NC=C(C=C2O1)Br ADE001151 [0,1,0,1,0,0|2,0,0]=4 387 B13R2.3028 CC1=C(C2=C(O1)C=CC(=C2)N)C CDS024504 [0,1,0,1,0,0|2,0,0]=4 388 B13R2.3028 N1C(=C(C2=C1C=CC(=C2)N)C)C S428590 [0,1,0,1,0,0|2,0,0]=4 389 B13R2.3683 CC1=CC2=C(C=C1)C=C(C=C2)F PH010449 [0,1,0,1,0,0|1,0,0]=3 390 B13R2.3683 CC1=CC=C2C=C(C=CC2=C1)I PH005825 [0,1,0,1,0,0|1,0,0]=3 391 B13R2.3683 CC1=CC=C2C=C(C=NC2=C1)N BBO000645 [0,1,0,1,0,0|2,0,0]=4 392 B13R2.3683 CC1=CN=C2N=C(C=CC2=C1)C ADE000845 [0,1,0,1,0,0|2,0,0]=4 393 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N R396583 [0,1,0,1,0,0|2,0,0]=4 394 B13R2.3683 ClC1=CC=C2C=C(C=CC2=C1)Cl R415464 [0,1,0,1,0,0|2,0,0]=4 395 B13R2.3683 NC1=CC2=CC=C(C=C2C=C1)O PH007390 [0,1,0,1,0,0|2,0,0]=4 396 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)Br CDS024307 [0,1,0,1,0,0|2,0,0]=4 397 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)F CDS024308 [0,1,0,1,0,0|2,0,0]=4 398 B13R2.54 CC1=CC=CN2C1=NC(=C2)C=O CDS007672 [0,1,0,1,0,0|2,0,0]=4 399 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br BBO000749 [0,1,0,1,0,0|1,0,0]=3 400 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br CDS010158 [0,1,0,1,0,0|1,0,0]=3 401 B13R2.155 CC1=NC2=CC(=CC=C2C=C1)Br BBO000574 [0,1,0,1,0,0|2,0,0]=4 402 B13R2.155 NC1=CC2=CC(=CC=C2N=C1)Br BBO000553 [0,1,0,1,0,0|2,0,0]=4 403 B13R2.155 OC1=CC2=CC(=CC=C2N=C1)Br BBO000554 [0,1,0,1,0,0|2,0,0]=4 404 B13R2.4856 N1C(=O)C(=O)C2=C1C=CC=C2Cl S337161 [0,1,0,1,0,0|2,0,0]=4 405 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)Br PH016095 [0,1,0,1,0,0|2,0,0]=4 406 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)F CDS020844 [0,1,0,1,0,0|2,0,0]=4 407 B13R2.5179 CC1=CC2=NC=CC(=C2C=C1)Br BBO000588 [0,1,0,1,0,0|2,0,0]=4 408 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)Cl BBO000174 [0,1,0,1,0,0|2,0,0]=4 409 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)O BBO000221 [0,1,0,1,0,0|2,0,0]=4 410 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)O CDS000157 [0,1,0,1,0,0|2,0,0]=4 411 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [0,1,0,1,0,0|2,0,0]=4 412 B13R2.5179 NC1=CC2=CC=CC(=C2N=C1)Br BBO000641 [0,1,0,1,0,0|2,0,0]=4 413 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 CDS020596 [0,1,0,1,0,0|2,0,0]=4 414 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)Br CDS000133 [0,1,0,1,0,0|2,0,0]=4 415 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)I T281182 [0,1,0,1,0,0|2,0,0]=4 416 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)Cl CDS000344 [0,1,0,1,0,0|2,0,0]=4 417 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)F PH010436 [0,1,0,1,0,0|2,0,0]=4 418 B13R2.162 CC1=CC2=C(C=C1)N=CC=C2O BBO000008 [0,1,0,1,0,0|2,0,0]=4 419 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)N CDS000034 [0,1,0,1,0,0|2,0,0]=4 420 B13R2.162 CC1=CC=C2C=CN=C(C2=C1)Cl PH009950 [0,1,0,1,0,0|2,0,0]=4 421 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)Cl BBO000230 [0,1,0,1,0,0|2,0,0]=4 422 B13R2.162 CC1=CC=CC2=C1N=C(C=C2)C R158348 [0,1,0,1,0,0|2,0,0]=4 423 B13R2.4825 CC1=CC=CC2=C1NC(=C2C)C CDS014194 [0,1,0,1,0,0|2,0,0]=4 424 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O S639125 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.12 C(=O)/C=C/C1=CC=CN1 L166448 [1,0,0,0,1,0|1,0,0]=3 426 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,0,0,0,1,0|0,1,1]=4 427 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,0,0,0,1,0|2,0,0]=4 428 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,0,0,0,1,0|1,0,1]=4 429 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [1,0,0,0,1,0|2,0,0]=4 430 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [1,0,0,0,1,0|2,0,0]=4 431 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [1,0,0,0,1,0|2,0,0]=4 432 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [1,0,0,0,1,0|2,0,0]=4 433 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,0,0,0,1,0|1,0,0]=3 434 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,0,0,0,1,0|2,0,0]=4 435 B9R1.13 CC(=O)CC1=CC=CO1 CDS001522 [1,0,0,0,1,0|1,0,1]=4 436 B9R1.13 CC(=O)NC1=CSC=C1 S943886 [1,0,0,0,1,0|2,0,0]=4