0 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.91 C1(C=CCC=C1)COC(=O)C T175498 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.91 CC(=NOC1=CC=NC=C1)C T160091 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.91 CC(=NOC1=CC=NC=C1)C T161659 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.91 CC(C)N=CC1=CC=CC=C1 S376825 [0,0,0,0,0,0|2,0,2]=4 13 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.91 CC(C)NCC1=CC=CN=C1 CBR00082 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [0,0,0,0,0,0|1,0,1]=2 17 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 R428108 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 S361119 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.91 CN(C)CCC1=CC=NC=C1 PH000201 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.91 CN(C)CCC1=NC=CC=C1 PH000750 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.91 CN(C)CCC1=NC=CC=C1 S456276 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.91 CN(O)CCC1=CC=NC=C1 PH008939 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.91 N=C(N)CCC1=NC=CC=C1 PH015393 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [0,0,0,0,0,0|2,0,0]=2 35 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [0,0,0,0,0,0|3,1,0]=4 36 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [0,0,0,0,0,0|2,1,0]=3 37 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [0,0,0,0,0,0|2,1,0]=3 38 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [0,0,0,0,0,0|2,0,1]=3 39 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [0,0,0,0,0,0|3,0,1]=4 41 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.91 O=C(O)CCC1=NC=CC=N1 S217417 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.91 O=C(O)CCC1=NC=CN=C1 CDS022931 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [0,0,0,0,0,0|2,0,1]=3 47 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [0,0,0,0,0,0|2,0,1]=3 48 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [0,0,0,0,0,0|2,0,1]=3 49 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [0,0,0,0,0,0|2,0,0]=2 52 B11R1.91 OB(O)O[Hg]C1=CC=CC=C1 S366137 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.17 CNCCC1=NC=CC=C1 R750492 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.17 COCCC1=CC=NC=C1 PH007374 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [1,0,0,0,0,0|1,1,1]=4 67 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)Br TMT00515 [0,1,0,0,0,0|1,0,1]=3 69 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F CDS016057 [0,1,0,0,0,0|1,0,1]=3 70 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [0,1,0,0,0,0|1,0,1]=3 71 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Br VBP00216 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [0,1,0,0,0,0|1,0,0]=2 73 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [0,1,0,0,0,0|0,0,0]=1 74 B12R1.21 CC(C)CCC1=CC=C(C=C1)O S511803 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.21 CC(C)NCC1=CC=C(C=C1)Cl PH011090 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)N R640662 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.21 CC1=CC=C(C=C1)OCC(=O)Cl OTV000056 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)N S343307 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)O OTV000678 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S452254 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.21 N=C(N)SCC1=CC=C(C=C1)Cl PH012544 [0,1,0,0,0,0|2,1,0]=4 83 B12R1.21 N=C(N)SCC1=CC=C(C=C1)F T165948 [0,1,0,0,0,0|2,1,0]=4 84 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Cl PH010888 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [0,1,0,0,0,0|2,0,0]=3 86 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.21 NC(=[S+]CC1=CC=C(C=C1)Cl)N R278254 [0,1,0,0,0,0|2,1,0]=4 90 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O CDS000175 [0,1,0,0,0,0|2,0,1]=4 91 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [0,1,0,0,0,0|3,0,0]=4 92 B12R1.27 C/C(=N\O)/C=C/C1=CC=CC=C1 R396273 [0,1,0,0,0,0|1,0,2]=4 93 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [0,1,0,0,0,0|1,0,1]=3 94 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [0,1,0,0,0,0|1,0,0]=2 95 B12R1.27 CCC(=O)NNC1=CC=CC=C1 S557188 [0,1,0,0,0,0|2,0,0]=3 96 B12R1.27 CCC(=O)O[Hg]C1=CC=CC=C1 S522473 [0,1,0,0,0,0|1,0,0]=2 97 B12R1.27 CNC(=O)OCC1=CN=CC=C1 PH009398 [0,1,0,0,0,0|1,0,0]=2 98 B12R1.27 CNC(=S)NCC1=CC=CC=C1 R278815 [0,1,0,0,0,0|1,1,0]=3 99 B12R1.27 CNC(=S)NNC1=CC=CC=C1 S512400 [0,1,0,0,0,0|2,1,0]=4 100 B12R1.27 COC(=O)C=CC1=CC=NC=C1 S409413 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [0,1,0,0,0,0|1,0,0]=2 102 B12R1.27 CSC(=S)OCC1=CC=CC=C1 S863475 [0,1,0,0,0,0|0,1,0]=2 103 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [0,1,0,0,0,0|0,0,0]=1 104 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [0,1,0,0,0,0|2,0,0]=3 105 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.27 NNC(=S)NCC1=CC=CC=C1 S539333 [0,1,0,0,0,0|2,1,0]=4 107 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CBR01981 [0,1,0,0,0,0|1,0,0]=2 108 B12R1.27 O=C(CBr)NCC1=NC=CC=C1 PH015342 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [0,1,0,0,0,0|1,0,0]=2 110 B12R1.43 CC(=O)N(C)NC1=CC=CC=C1 S548928 [0,1,0,0,0,0|2,0,0]=3 111 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [0,1,0,0,0,0|2,0,0]=3 112 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [0,1,0,0,0,0|2,0,0]=3 114 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 S889105 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N PH015234 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.43 CN(CC1=CC=CC=C1)C(=O)Cl PH008817 [0,1,0,0,0,0|2,0,0]=3 118 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N CBR01175 [0,1,0,0,0,0|2,1,0]=4 119 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O CDS020095 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CDS020090 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Br S808768 [0,1,0,0,0,0|2,0,1]=4 123 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl PH009328 [0,1,0,0,0,0|2,0,1]=4 124 B12R1.43 O=C(O)/C(=C\C1=CC=CC=C1)/Cl PH004529 [0,1,0,0,0,0|2,0,1]=4 125 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [0,1,0,0,0,0|2,0,0]=3 126 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 CDS008837 [0,1,0,0,0,0|3,0,0]=4 127 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [0,1,0,0,0,0|2,0,0]=3 128 B12R1.107 C/C(=C\C(=O)N)/C1=CC=CC=C1 PH007020 [0,1,0,0,0,0|2,0,1]=4 129 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [0,1,0,0,0,0|2,0,1]=4 130 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 PH007050 [0,1,0,0,0,0|2,0,0]=3 131 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CDS000576 [0,1,0,0,0,0|1,0,2]=4 132 B12R1.107 CC(CN(C)N)C1=CC=CC=C1 PH001335 [0,1,0,0,0,0|3,0,0]=4 133 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH011871 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH018832 [0,1,0,0,0,0|3,0,0]=4 135 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 PH018728 [0,1,0,0,0,0|3,0,0]=4 136 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 S450545 [0,1,0,0,0,0|2,0,1]=4 138 B12R1.107 O=S([O-])OC(O)C1=NC=CC=C1 R396281 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.125 C=C(C)COC1=CC=CC=C1Cl PH007539 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.125 C=C(C)CSC1=CC=CC=C1C S722219 [0,1,0,0,0,0|3,0,0]=4 141 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.125 CC(=O)OCC1=C(C=NC=C1)C T161446 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.125 CC(=O)OCC1=C(C=NC=C1)Cl T161071 [0,1,0,0,0,0|1,0,0]=2 144 B12R1.125 CC1=C(C=CC=C1)NCC(=O)O R871230 [0,1,0,0,0,0|3,0,0]=4 145 B12R1.125 CC1=CC=CC=C1CNC(C)C CDS011840 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.125 CC1=CC=CC=C1OCC(=O)N R715522 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.125 CC1=CC=CC=C1SCC(=O)O R363820 [0,1,0,0,0,0|3,0,0]=4 148 B12R1.125 CC1=CC=CC=[N+]1CCC(=O)N S343285 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.125 N=C(N)CCC1=C(C=CC=C1)Cl PH015728 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.125 N=C(N)SCC1=C(C=CC=C1)Cl T282057 [0,1,0,0,0,0|2,1,0]=4 151 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.125 NC(=O)COC1=C(C=CC=C1)O CDS020826 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.125 NC1=C(C=CC=C1)/C=C/C(=O)O PH011123 [0,1,0,0,0,0|2,0,1]=4 154 B12R1.125 O=C(Cl)COC1=C(C=CC=C1)Cl OTV000735 [0,1,0,0,0,0|3,0,0]=4 155 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl PH010874 [0,1,0,0,0,0|2,0,1]=4 156 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [0,1,0,0,0,0|2,0,0]=3 157 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl R871222 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.125 O=C(O)CNC1=C(C=CC=C1)F L447560 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl CDS001276 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.226 CC(=O)COC1=CC=CC(=C1)Br OTV000350 [0,1,0,0,0,0|2,0,0]=3 161 B12R1.226 CC(=O)NNC1=CC=CC(=C1)Cl PH007201 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [0,1,0,0,0,0|3,0,0]=4 163 B12R1.226 CC1=C[N+](=CC=C1)CCC(=O)N S343293 [0,1,0,0,0,0|3,0,0]=4 164 B12R1.226 N=C(N)SCC1=CC(=CC=C1)Cl S533416 [0,1,0,0,0,0|2,1,0]=4 165 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [0,1,0,0,0,0|2,0,0]=3 166 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [0,1,0,0,0,0|2,0,0]=3 167 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [0,1,0,0,0,0|3,0,0]=4 168 B12R1.891 CC(C)(C)OCC1=CC=CC=C1 S653853 [0,1,0,0,0,0|1,0,1]=3 169 B12R1.891 CS(=O)(=O)/C=C/C1=CC=CC=C1 S778249 [0,1,0,0,0,0|2,0,1]=4 170 B12R1.891 C[Si](Cl)(Cl)CCC1=CC=CC=C1 S585440 [0,1,0,0,0,0|2,1,0]=4 171 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 L496227 [0,1,0,0,0,0|3,0,0]=4 172 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [0,0,0,1,0,0|3,0,0]=4 173 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [0,0,0,1,0,0|3,0,0]=4 174 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,0,0,1,0,0|3,0,0]=4 175 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,0,0,1,0,0|2,0,0]=3 176 B12R2.24 OC1CCC2=C(C1)C=CC=C2 TMT00302 [0,0,0,1,0,0|1,0,2]=4 177 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,0,0,1,0,0|2,1,0]=4 178 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [0,0,0,1,0,0|2,1,0]=4 179 B12R2.2057 C1=CC=C(C=C1)CNC2CC2 CDS004803 [0,0,0,1,0,0|2,0,1]=4 180 B12R2.2403 O=S1(=O)OCC2=C1C=CC=C2 S438103 [0,0,0,1,0,0|2,0,0]=3 181 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,0,0,0,1,0|1,0,0]=2 182 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,0,0,0,1,0|1,0,0]=2 183 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,0,0,0,1,0|1,0,0]=2 184 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [0,0,0,0,1,0|2,0,0]=3 185 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [0,0,0,0,1,0|1,0,0]=2 186 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [0,0,0,0,1,0|1,0,0]=2 187 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [0,0,0,0,1,0|2,0,0]=3 188 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [0,0,0,0,1,0|2,0,1]=4 189 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [0,0,0,0,1,0|2,0,0]=3 190 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [0,0,0,0,1,0|2,0,0]=3 191 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [0,0,0,0,1,0|3,0,0]=4 192 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [0,0,0,0,1,0|2,0,0]=3 193 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [0,0,0,0,1,0|1,0,2]=4 194 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [0,0,0,0,1,0|2,0,0]=3 195 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [0,0,0,0,1,0|2,0,0]=3 196 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [0,0,0,0,1,0|1,1,0]=3 197 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [0,0,0,0,1,0|3,0,0]=4 198 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [0,0,0,0,1,0|2,0,0]=3 199 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [0,0,0,0,1,0|2,0,0]=3 200 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [0,0,0,0,1,0|2,0,0]=3 201 B10R1.66 CC(=O)/C=C/C1=CC=CN1 L162493 [0,0,0,0,1,0|2,0,1]=4 202 B10R1.66 CC(=O)CCN1C=CC=N1 S533009 [0,0,0,0,1,0|3,0,0]=4 203 B12R1.252 CC(=C/C=C/C1=CC=CC=C1)C S881589 [0,0,0,0,0,1|2,0,1]=4 204 B12R1.252 CC(=CCOC1=CC=CC=C1)C S134643 [0,0,0,0,0,1|2,0,0]=3 205 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 S364789 [0,0,0,0,0,1|2,0,0]=3 206 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [0,0,0,0,0,1|1,0,0]=2 207 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [0,0,0,0,0,1|0,1,0]=2 208 B12R1.252 CC(=O)N/N=C/C1=CC=CC=C1 S872245 [0,0,0,0,0,1|1,0,1]=3 209 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [0,0,0,0,0,1|1,0,0]=2 210 B12R1.252 CC(=O)OCCC1=NC=CC=C1 PH006794 [0,0,0,0,0,1|1,0,0]=2 211 B12R1.252 CC(=O)O[Hg]CC1=CC=CC=C1 S881120 [0,0,0,0,0,1|0,0,0]=1 212 B12R1.252 CC(C)CCNC1=CC=CC=C1 S705780 [0,0,0,0,0,1|2,0,1]=4 213 B12R1.252 CC(C)CNCC1=CC=CC=C1 CBR01593 [0,0,0,0,0,1|2,0,1]=4 214 B12R1.252 CC(O)CCCC1=CC=CC=C1 PH000677 [0,0,0,0,0,1|1,0,2]=4 215 B12R1.252 CC(O)CCSC1=CC=CC=C1 T233005 [0,0,0,0,0,1|1,0,2]=4 216 B12R1.252 CC(O)CNCC1=CC=CC=C1 PH009735 [0,0,0,0,0,1|1,0,2]=4 217 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [0,0,0,0,0,1|0,0,2]=3 218 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 PH007995 [0,0,0,0,0,1|1,0,2]=4 219 B12R1.252 N=C(N)NCCC1=CC=CC=C1 S370282 [0,0,0,0,0,1|3,0,0]=4 220 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [0,0,0,0,0,1|2,0,0]=3 221 B12R1.252 NC(=O)CSCC1=CC=CC=C1 S614386 [0,0,0,0,0,1|1,1,0]=3 222 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [0,0,0,0,0,1|2,0,0]=3 223 B12R1.252 NC(=S)NCCC1=CC=CC=C1 PH011268 [0,0,0,0,0,1|2,1,0]=4 224 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 PH000271 [0,0,0,0,0,1|2,0,0]=3 225 B12R1.252 O=C(O)CCNC1=CC=CC=C1 R155780 [0,0,0,0,0,1|2,0,0]=3 226 B12R1.252 O=C(O)CCSC1=CC=CC=C1 L305855 [0,0,0,0,0,1|2,0,0]=3 227 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 S949442 [0,0,0,0,0,1|2,0,0]=3 228 B12R1.252 O=C(O)CNCC1=NC=CC=C1 PH014769 [0,0,0,0,0,1|3,0,0]=4 229 B12R1.252 [SiH](C)(C)CCCC1=CC=CC=C1 S829870 [0,0,0,0,0,1|2,1,0]=4 230 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [2,0,0,0,0,0|1,0,1]=4 232 B9R1.8 CCCC1=CC=NC=C1 S573086 [2,0,0,0,0,0|1,0,1]=4 233 B9R1.8 CCOC1=CC=CC=N1 S442267 [2,0,0,0,0,0|1,0,1]=4 234 B9R1.8 CNNC1=CC=CC=C1 PH012261 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.8 COCC1=CC=CC=N1 S363146 [2,0,0,0,0,0|1,0,0]=3 236 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [2,0,0,0,0,0|1,0,0]=3 239 B11R1.1 C(=O)NNC1=CC=C(C=C1)C R751820 [1,1,0,0,0,0|2,0,0]=4 240 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [1,1,0,0,0,0|1,0,1]=4 241 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [1,1,0,0,0,0|1,0,1]=4 242 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [1,1,0,0,0,0|1,0,1]=4 243 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [1,1,0,0,0,0|1,0,0]=3 244 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.1 O=CNNC1=CC=C(C=C1)Br PH007135 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [1,1,0,0,0,0|1,0,0]=3 247 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [1,1,0,0,0,0|1,0,1]=4 248 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [1,1,0,0,0,0|1,0,1]=4 249 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.17 CCCCC1=C(C=CC=C1)N CDS000462 [1,1,0,0,0,0|1,0,1]=4 255 B11R1.17 COCCC1=CC=CC=C1Br S809608 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.28 C#CCOCC1=CC=CC=C1 T268720 [1,1,0,0,0,0|0,0,2]=4 257 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.28 C=CCNCC1=CC=CC=C1 ANV00005 [1,1,0,0,0,0|1,0,1]=4 260 B11R1.28 C=CCNCC1=CC=CC=C1 CBR01347 [1,1,0,0,0,0|1,0,1]=4 261 B11R1.28 CC#CCOC1=CC=CC=C1 PH009632 [1,1,0,0,0,0|1,0,1]=4 262 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [1,1,0,0,0,0|0,0,2]=4 263 B11R1.28 CCOCCC1=CC=CC=N1 S361402 [1,1,0,0,0,0|1,0,1]=4 264 B11R1.28 CCOCCC1=CC=NC=C1 S368741 [1,1,0,0,0,0|1,0,1]=4 265 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [1,1,0,0,0,0|1,0,1]=4 266 B11R1.28 COCCOC1=CC=CC=C1 S793000 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.28 Cl/C=C/CSC1=CC=CC=C1 S722243 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [1,1,0,0,0,0|1,0,1]=4 271 B11R1.28 N#CCOCC1=CC=CC=C1 S240400 [1,1,0,0,0,0|0,0,2]=4 272 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [1,1,0,0,0,0|1,0,1]=4 273 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [1,1,0,0,0,0|1,0,1]=4 274 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,1,0,0,1,0|1,0,0]=3 276 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [0,1,0,0,1,0|1,0,1]=4 277 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,1,0,0,1,0|0,0,0]=2 278 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,1,0,0,1,0|0,0,0]=2 279 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [0,1,0,0,1,0|1,0,0]=3 280 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,1,0,0,1,0|1,0,0]=3 281 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,1,0,0,1,0|1,0,0]=3 282 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,1,0,0,1,0|1,0,0]=3 283 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [0,1,0,0,1,0|2,0,0]=4 284 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [0,1,0,0,1,0|2,0,0]=4 285 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,1,0,0,1,0|0,1,0]=3 286 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [0,1,0,0,1,0|1,0,1]=4 287 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [0,1,0,0,1,0|1,0,1]=4 288 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [0,1,0,0,1,0|1,0,1]=4 289 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,1,0,0,1,0|1,0,0]=3 290 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,1,0,0,1,0|1,0,0]=3 291 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,1,0,0,1,0|2,0,0]=4 292 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [0,1,0,0,1,0|2,0,0]=4 293 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [0,1,0,0,1,0|2,0,0]=4 294 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [0,1,0,0,1,0|2,0,0]=4 295 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,1,0,0,1,0|1,0,0]=3 296 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,1,0,0,1,0|2,0,0]=4 297 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,1,0,0,1,0|2,0,0]=4 298 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [0,1,0,0,1,0|1,1,0]=4 299 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [0,1,0,0,1,0|1,0,1]=4 300 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [0,1,0,0,1,0|2,0,0]=4 301 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [0,1,0,0,1,0|1,1,0]=4 302 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [0,1,0,0,1,0|2,0,0]=4 303 B11R1.20 S=C(Cl)OC1=CC=C(C=C1)Cl T341398 [0,1,0,0,1,0|1,1,0]=4 304 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [0,1,0,0,1,0|1,0,1]=4 305 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [0,1,0,0,1,0|1,0,1]=4 306 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [0,1,0,0,1,0|1,0,1]=4 307 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,1,0,0,1,0|0,0,0]=2 308 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,1,0,0,1,0|1,0,0]=3 309 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [0,1,0,0,1,0|2,0,0]=4 310 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,1,0,0,1,0|1,0,0]=3 311 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [0,1,0,0,1,0|1,0,1]=4 312 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [0,1,0,0,1,0|1,0,1]=4 313 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [0,1,0,0,1,0|2,0,0]=4 314 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [0,1,0,0,1,0|0,0,2]=4 315 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [0,1,0,0,1,0|0,0,2]=4 316 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [0,1,0,0,1,0|0,0,2]=4 317 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [0,1,0,0,1,0|0,0,2]=4 318 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [0,1,0,0,1,0|0,0,2]=4 319 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [0,1,0,0,1,0|0,0,2]=4 320 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [0,1,0,0,1,0|2,0,0]=4 321 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,1,0,0,1,0|1,0,0]=3 322 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,1,0,0,1,0|1,0,0]=3 323 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,1,0,0,1,0|1,0,0]=3 324 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [0,1,0,0,1,0|2,0,0]=4 325 B11R1.36 P(=O)([O-])C(O)C1=CC=CC=C1 S359920 [0,1,0,0,1,0|2,0,0]=4 326 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [0,1,0,0,1,0|0,0,2]=4 327 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [0,1,0,0,1,0|1,0,0]=3 328 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,1,0,0,1,0|0,0,0]=2 329 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [0,1,0,0,1,0|1,0,0]=3 330 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [0,1,0,0,1,0|1,0,0]=3 331 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,1,0,0,1,0|1,0,0]=3 332 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [0,1,0,0,1,0|2,0,0]=4 333 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [0,1,0,0,1,0|2,0,0]=4 334 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [0,1,0,0,1,0|2,0,0]=4 335 B11R1.86 CC(=O)NC1=NC=CC=C1Cl T300071 [0,1,0,0,1,0|2,0,0]=4 336 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [0,1,0,0,1,0|2,0,0]=4 337 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,1,0,0,1,0|0,0,0]=2 338 B11R1.86 CC(=O)ON1C=CC=CC1=O T301086 [0,1,0,0,1,0|1,0,0]=3 339 B11R1.86 CC(C)OC1=CC=CC=C1N CDS002647 [0,1,0,0,1,0|1,0,1]=4 340 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [0,1,0,0,1,0|1,0,0]=3 341 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [0,1,0,0,1,0|2,0,0]=4 342 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [0,1,0,0,1,0|2,0,0]=4 343 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [0,1,0,0,1,0|2,0,0]=4 344 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [0,1,0,0,1,0|2,0,0]=4 345 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [0,1,0,0,1,0|2,0,0]=4 346 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,1,0,0,1,0|1,0,0]=3 347 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,1,0,0,1,0|1,0,0]=3 348 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,1,0,0,1,0|1,0,0]=3 349 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,1,0,0,1,0|1,0,0]=3 350 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [0,1,0,0,1,0|2,0,0]=4 351 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [0,1,0,0,1,0|2,0,0]=4 352 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [0,1,0,0,1,0|2,0,0]=4 353 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [0,1,0,0,1,0|1,0,0]=3 354 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [0,1,0,0,1,0|1,0,0]=3 355 B11R1.86 O=C(O)CN1C=CC=CC1=O CDS010316 [0,1,0,0,1,0|2,0,0]=4 356 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,1,0,0,1,0|0,0,0]=2 357 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [0,1,0,0,1,0|1,0,0]=3 358 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,1,0,0,1,0|1,0,0]=3 359 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,1,0,0,1,0|1,0,0]=3 360 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,1,0,0,1,0|1,0,0]=3 361 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [0,1,0,0,1,0|2,0,0]=4 362 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [0,1,0,0,1,0|2,0,0]=4 363 B11R1.157 CC(N)CC1=CC=CC(=C1)Br CDS022739 [0,1,0,0,1,0|1,0,1]=4 364 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,1,0,0,1,0|2,0,0]=4 365 B11R1.157 CN(N)CC1=CC=CC(=C1)Cl PH007608 [0,1,0,0,1,0|2,0,0]=4 366 B11R1.157 NC(=O)C[N+]1=CC=CC(=C1)F S914169 [0,1,0,0,1,0|2,0,0]=4 367 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [0,1,0,0,1,0|2,0,0]=4 368 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [0,1,0,0,1,0|2,0,0]=4 369 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [0,1,0,0,1,0|1,0,0]=3 370 B11R1.157 O=C([O-])C[N+]1=CC=CC(=C1)O PH007028 [0,1,0,0,1,0|2,0,0]=4 371 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [0,1,0,0,1,0|1,0,0]=3 372 B11R1.509 CS(=O)(=O)OC1=CN=CC=C1 PH009192 [0,1,0,0,1,0|2,0,0]=4 373 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 R284572 [0,1,0,0,1,0|2,0,0]=4 374 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342041 [0,1,0,0,1,0|2,0,0]=4 375 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342068 [0,1,0,0,1,0|2,0,0]=4 376 B11R1.509 C[N+](C)(N)CC1=CC=CC=C1 S761869 [0,1,0,0,1,0|2,0,0]=4 377 B11R1.509 C[N+](C)([O-])CC1=CC=CC=C1 S428078 [0,1,0,0,1,0|1,0,1]=4 378 B11R1.509 NS(=O)(=O)OC1=CC=CC=C1 PH008054 [0,1,0,0,1,0|2,0,0]=4 379 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 CDS010546 [0,1,0,0,1,0|2,0,0]=4 380 B11R1.509 O=S(=O)([O-])CC1=CC=CC=C1 S808962 [0,1,0,0,1,0|2,0,0]=4 381 B11R1.25 COC(=O)CCC1=CC=CN1 CDS005344 [0,1,0,0,1,0|2,0,0]=4 382 B11R1.25 O=C(CCl)NCC1=CC=CO1 R468177 [0,1,0,0,1,0|2,0,0]=4 383 B11R1.25 O=C(CCl)NCC1=CC=CS1 PH003716 [0,1,0,0,1,0|2,0,0]=4 384 B11R1.25 O=C(CCl)OCC1=CC=CO1 S836451 [0,1,0,0,1,0|1,0,0]=3 385 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 PH010963 [0,1,0,0,0,1|1,0,0]=3 386 B13R1.45 CC(=O)N/N=C(\C)/C1=CC=CC=C1 PH009310 [0,1,0,0,0,1|1,0,1]=4 387 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 S669970 [0,1,0,0,0,1|1,0,1]=4 388 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 T291145 [0,1,0,0,0,1|0,0,0]=2 389 B13R1.45 CC(=O)OCC(C)C1=CC=CC=C1 S528323 [0,1,0,0,0,1|0,0,0]=2 390 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 S427314 [0,1,0,0,0,1|2,0,0]=4 391 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 S39102 [0,1,0,0,0,1|2,0,0]=4 392 B13R1.149 CC(=O)N/N=C/C1=CC(=CC=C1)F S925101 [0,1,0,0,0,1|1,0,1]=4 393 B13R1.149 O=C(O)CSCC1=CC(=CC=C1)Br EME00137 [0,1,0,0,0,1|1,1,0]=4 394 B13R1.158 CC(=O)N/N=C/C1=C(C=CC=C1)O S779687 [0,1,0,0,0,1|1,0,1]=4 395 B13R1.158 CC1=CC=CC=C1CCCC(=O)O R245283 [0,1,0,0,0,1|2,0,0]=4 396 B13R1.158 CC1=CC=CC=C1SCCC(=O)O S849561 [0,1,0,0,0,1|2,0,0]=4 397 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)F EME00439 [0,1,0,0,0,1|2,0,0]=4 398 B13R1.158 NC1=CC=CC=C1CCCC(=O)O PH003105 [0,1,0,0,0,1|2,0,0]=4 399 B13R1.158 O=C(O)CCNC1=C(C=CC=C1)Cl PH011647 [0,1,0,0,0,1|2,0,0]=4 400 B13R1.348 CC(=O)NC(=CC1=CC=CC=C1)Cl S286737 [0,1,0,0,0,1|1,0,1]=4 401 B13R1.348 CC(=O)NC(=O)NC1=CC=CC=C1 S340561 [0,1,0,0,0,1|1,0,1]=4 402 B13R1.348 CC(=O)NC(=S)NC1=CC=CC=C1 S785733 [0,1,0,0,0,1|1,0,1]=4 403 B13R1.348 C[C@H](CC1=CC=CC=C1)NC(=O)N PH008163 [0,1,0,0,0,1|2,0,0]=4 404 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 T332364 [0,1,0,0,0,1|2,0,0]=4 405 B13R1.351 C=C(C)C(=O)NCC1=CC=CC=C1 S529591 [0,1,0,0,0,1|2,0,0]=4 406 B13R1.351 CC(=O)/C(=N/NC1=CC=CC=C1)/C S17265 [0,1,0,0,0,1|2,0,0]=4 407 B13R1.351 CC(=O)/C(=N\NC1=CC=CC=C1)/Cl S282227 [0,1,0,0,0,1|2,0,0]=4 408 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 PH009541 [0,1,0,0,0,1|0,0,0]=2 409 B13R1.351 CC(Br)C(=O)OCC1=CC=CC=C1 PH008809 [0,1,0,0,0,1|1,0,1]=4 410 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O PH010131 [0,1,0,0,0,1|2,0,0]=4 411 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 S240338 [0,1,0,0,0,1|0,0,2]=4 412 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 S949906 [0,1,0,0,0,1|0,0,2]=4 413 B13R1.351 C[C@H](SCC1=CC=CC=C1)C(=O)O PH017935 [0,1,0,0,0,1|1,1,0]=4 414 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 CDS007841 [0,1,0,0,0,1|2,0,0]=4 415 B13R1.513 CC(=O)N/N=C/C1=CC=C(C=C1)C R709700 [0,1,0,0,0,1|1,0,1]=4 416 B13R1.513 CC(=O)N/N=C/C1=CC=C(C=C1)Cl R709999 [0,1,0,0,0,1|1,0,1]=4 417 B13R1.513 CC(=O)N/N=C/C1=CC=C(C=C1)O R749648 [0,1,0,0,0,1|1,0,1]=4 418 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O S532649 [0,1,0,0,0,1|2,0,0]=4 419 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)O EME00118 [0,1,0,0,0,1|1,1,0]=4 420 B13R1.513 NC(=O)CCCC1=CC=C(C=C1)Br S561223 [0,1,0,0,0,1|2,0,0]=4 421 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)Cl S44475 [0,1,0,0,0,1|2,0,0]=4 422 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br JRD0697 [0,1,0,0,0,1|2,0,0]=4 423 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl PH005128 [0,1,0,0,0,1|2,0,0]=4 424 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl PH009791 [0,1,0,0,0,1|2,0,0]=4 425 B13R1.513 O=C(O)CC[Te]C1=CC=C(C=C1)Br S50319 [0,1,0,0,0,1|2,0,0]=4 426 B13R1.718 COC(=O)CCCC1=CC=CC=C1 PH010421 [0,1,0,0,0,1|1,0,0]=3 427 B13R1.718 COC(=O)CCNC1=NC=CC=C1 EME00312 [0,1,0,0,0,1|2,0,0]=4 428 B13R1.718 COC(=O)CCOC1=CC=CC=C1 S363723 [0,1,0,0,0,1|1,0,0]=3 429 B13R1.718 COC(=O)CCSC1=CC=CC=C1 S614378 [0,1,0,0,0,1|1,0,0]=3 430 B13R1.718 COC(=O)CSCC1=CC=CC=C1 S614149 [0,1,0,0,0,1|0,1,0]=3 431 B13R1.718 COC(=O)NNCC1=CC=CC=C1 PH007736 [0,1,0,0,0,1|1,0,0]=3 432 B13R1.718 C[C@@H](CO)COCC1=CC=CC=C1 T252972 [0,1,0,0,0,1|0,0,2]=4 433 B13R1.718 O=C(CBr)NCCC1=CC=CC=C1 CDS006204 [0,1,0,0,0,1|1,0,0]=3 434 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 R397792 [0,1,0,0,0,1|1,0,0]=3 435 B13R1.3523 CS(=O)(=O)CCOC1=CC=CC=C1 PH007511 [0,1,0,0,0,1|2,0,0]=4 436 B13R1.3523 CS(=O)(=O)NCCC1=CC=CC=C1 PH004503 [0,1,0,0,0,1|2,0,0]=4 437 B13R1.3 CC(=O)OCC1=CC=C(C=C1)C#N BOG00136 [0,2,0,0,0,0|0,0,0]=2 438 B13R1.3 COC1=CC=C(C=C1)CCC(=O)Cl PH014654 [0,2,0,0,0,0|2,0,0]=4 439 B13R1.14 CC1=CC=C(C=C1)CNC(=O)CCl TMT00603 [0,2,0,0,0,0|1,0,0]=3 440 B13R1.14 CCC(=O)C=CC1=CC=C(C=C1)C S450049 [0,2,0,0,0,0|1,0,1]=4 441 B13R1.14 CNC(=O)/C=C/C1=CC=C(C=C1)Cl PH007011 [0,2,0,0,0,0|1,0,1]=4 442 B13R1.14 CNC(=O)OCC1=CC=C(C=C1)Cl PH009074 [0,2,0,0,0,0|0,0,0]=2 443 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Br S931675 [0,2,0,0,0,0|1,0,1]=4 444 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Cl S880671 [0,2,0,0,0,0|1,0,1]=4 445 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)O KOB0128 [0,2,0,0,0,0|1,0,1]=4 446 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br EME00079 [0,2,0,0,0,0|2,0,0]=4 447 B13R1.14 COC(=O)COC1=CC=C(C=C1)Cl PH009782 [0,2,0,0,0,0|2,0,0]=4 448 B13R1.14 COC(=O)COC1=CC=C(C=C1)N CDS020172 [0,2,0,0,0,0|2,0,0]=4 449 B13R1.14 COC(=O)CSC1=CC=C(C=C1)Cl S620173 [0,2,0,0,0,0|2,0,0]=4 450 B13R1.14 O=C(CCl)NCC1=CC=C(C=C1)Cl TMT00613 [0,2,0,0,0,0|1,0,0]=3 451 B13R1.14 O=C(CCl)OCC1=CC=C(C=C1)Cl S34968 [0,2,0,0,0,0|0,0,0]=2 452 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl JRD0754 [0,2,0,0,0,0|1,0,1]=4 453 B13R1.132 CC(=O)NC(=O)C1=CC=C(C=C1)Cl PH009070 [0,2,0,0,0,0|1,0,1]=4 454 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br T135860 [0,2,0,0,0,0|2,0,0]=4 455 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Cl PH015633 [0,2,0,0,0,0|2,0,0]=4 456 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)O T135879 [0,2,0,0,0,0|2,0,0]=4 457 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O S326283 [0,2,0,0,0,0|2,0,0]=4 458 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br BBO000769 [0,2,0,0,0,0|2,0,0]=4 459 B13R1.133 CC(=O)C(Cl)CC1=CC=C(C=C1)Cl S567140 [0,2,0,0,0,0|1,0,0]=3 460 B13R1.133 CC(CC1=CC=C(C=C1)O)C(=O)O PH008203 [0,2,0,0,0,0|2,0,0]=4 461 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O R245267 [0,2,0,0,0,0|2,0,0]=4 462 B13R1.133 CC1=CC=C(C=C1)CC(N)C(=O)O PH011203 [0,2,0,0,0,0|2,0,0]=4 463 B13R1.133 C[C@H](CC1=CC=C(C=C1)N)C(=O)O PH001854 [0,2,0,0,0,0|2,0,0]=4 464 B13R1.164 CC(=O)/C=C/C1=C(C=C(C=C1)Cl)Cl R613541 [0,2,0,0,0,0|1,0,1]=4 465 B13R1.164 CC(=O)NNC1=C(C=C(C=C1)C)N S926396 [0,2,0,0,0,0|2,0,0]=4 466 B13R1.164 CC1=CC=C(C(=C1)C)CCC(=O)O R245275 [0,2,0,0,0,0|2,0,0]=4 467 B13R1.164 O=C(O)CCC1=CC=C(C=C1Cl)F RNI00047 [0,2,0,0,0,0|2,0,0]=4 468 B13R1.511 CC(=O)/C=C/C1=CC(=C(C=C1)Cl)Cl PH003269 [0,2,0,0,0,0|1,0,1]=4 469 B13R1.511 CC(=O)OCC1=CC(=O)C(=CO1)O PH008620 [0,2,0,0,0,0|1,0,0]=3 470 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Br T303011 [0,2,0,0,0,0|2,0,0]=4 471 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 PH010030 [0,2,0,0,0,0|1,0,0]=3 472 B13R1.11 CC(NC(=O)CI)C1=CC=CC=C1 L318957 [0,2,0,0,0,0|1,0,0]=3 473 B13R1.11 CNC(=O)/C=C(\C)/C1=CC=CC=C1 PH006947 [0,2,0,0,0,0|1,0,1]=4 474 B13R1.11 CNC(=O)CC(O)C1=CC=CC=C1 R127094 [0,2,0,0,0,0|1,0,0]=3 475 B13R1.11 COC(=O)/C=C(/C)\C1=CC=CC=C1 S882089 [0,2,0,0,0,0|1,0,1]=4 476 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 OTV000182 [0,2,0,0,0,0|1,0,1]=4 477 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CDS021823 [0,2,0,0,0,0|1,0,0]=3 478 B13R1.11 C[C@H](NC(=O)NN)C1=CC=CC=C1 T186848 [0,2,0,0,0,0|2,0,0]=4 479 B13R1.11 NNC(=O)CC(O)C1=CC=CC=C1 PH008854 [0,2,0,0,0,0|2,0,0]=4 480 B13R1.11 [C@H](C)(CC(=O)NN)C1=CC=CC=C1 T203815 [0,2,0,0,0,0|2,0,0]=4 481 B13R1.15 CNC(=O)COC1=CC(=CC=C1)Br EME00143 [0,2,0,0,0,0|2,0,0]=4 482 B13R1.15 COC(=O)/C=C/C1=CC(=CC=C1)C EME00166 [0,2,0,0,0,0|1,0,1]=4 483 B13R1.42 C/C(=C\C#N)/CCC1=CC=CC=C1 R160423 [0,2,0,0,0,0|2,0,0]=4 484 B13R1.42 CC=CC(=O)NCC1=CC=CC=C1 S527947 [0,2,0,0,0,0|1,0,0]=3 485 B13R1.42 CCCC(=O)NCC1=CC=CC=C1 R343269 [0,2,0,0,0,0|1,0,0]=3 486 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 PH007173 [0,2,0,0,0,0|2,0,0]=4 487 B13R1.42 CCNC(=O)NNC1=CC=CC=C1 PH007136 [0,2,0,0,0,0|2,0,0]=4 488 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 PH003746 [0,2,0,0,0,0|2,0,0]=4 489 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 CDS003195 [0,2,0,0,0,0|2,0,0]=4 490 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 PH005137 [0,2,0,0,0,0|2,0,0]=4 491 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 PH011548 [0,2,0,0,0,0|1,0,0]=3 492 B13R1.42 CCOC(=O)NNC1=CC=CC=C1 S512680 [0,2,0,0,0,0|2,0,0]=4 493 B13R1.42 CNNC(=O)COC1=CC=CC=C1 T151408 [0,2,0,0,0,0|2,0,0]=4 494 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 CDS021500 [0,2,0,0,0,0|1,0,0]=3 495 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 S358282 [0,2,0,0,0,0|1,0,0]=3 496 B13R1.42 O=C(CCO)NNC1=CC=CC=C1 PH007197 [0,2,0,0,0,0|2,0,0]=4 497 B13R1.135 COC(=O)C(C)OC1=CC=CC=C1 JRD1262 [0,2,0,0,0,0|2,0,0]=4 498 B13R1.135 COC(=O)C(C)SC1=CC=CC=C1 S620203 [0,2,0,0,0,0|2,0,0]=4 499 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 PH011323 [0,2,0,0,0,0|1,0,0]=3 500 B13R1.135 COC(=O)C(N)CC1=NC=CC=C1 PH019122 [0,2,0,0,0,0|2,0,0]=4 501 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 PH000793 [0,2,0,0,0,0|1,0,0]=3 502 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 PH009923 [0,2,0,0,0,0|1,0,0]=3 503 B13R1.135 COC(=O)[C@H](N)CC1=CC=CN=C1 CDS006818 [0,2,0,0,0,0|2,0,0]=4 504 B13R1.254 O=S(=O)(CBr)NCC1=CC=CC=C1 T274798 [0,2,0,0,0,0|2,0,0]=4 505 B13R1.417 ClCC(CBr)OCC1=CC=CC=C1 S988103 [0,2,0,0,0,0|1,0,1]=4 506 B13R1.528 CCC(=O)/C=C/C1=CC=CC=C1O L255661 [0,2,0,0,0,0|1,0,1]=4 507 B13R1.528 CNC(=O)COC1=CC=CC=C1Br CDS005859 [0,2,0,0,0,0|2,0,0]=4 508 B13R1.528 COC(=O)/C=C/C1=C(C=CC=C1)O PH004658 [0,2,0,0,0,0|1,0,1]=4 509 B13R1.528 COC(=O)CCC1=C(C=CC=C1)O CDS015224 [0,2,0,0,0,0|1,0,0]=3 510 B13R1.528 O=C(CCl)NCC1=C(C=CC=C1)Cl TMT00609 [0,2,0,0,0,0|1,0,0]=3 511 B13R1.148 CC(=O)C(Cl)CC1=CC=CC(=C1)Cl S567183 [0,2,0,0,0,0|1,0,0]=3 512 B13R1.148 O=C(O)C(=S)CC1=CC(=CC=C1)O R627119 [0,2,0,0,0,0|2,0,0]=4 513 B13R1.148 O=C(O)C(Br)CC1=CC(=CC=C1)Cl L129844 [0,2,0,0,0,0|2,0,0]=4 514 B13R1.152 CC(=O)C(Br)C(Br)C1=CC=CC=C1 S366706 [0,2,0,0,0,0|1,0,0]=3 515 B13R1.152 CC(C(=O)O)C(C)C1=CC=CC=C1 S697214 [0,2,0,0,0,0|2,0,0]=4 516 B13R1.152 C[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 T292249 [0,2,0,0,0,0|2,0,0]=4 517 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 S914851 [0,2,0,0,0,0|2,0,0]=4 518 B13R1.152 O=C(Cl)C(Br)C(Br)C1=CC=CC=C1 S675954 [0,2,0,0,0,0|2,0,0]=4 519 B13R1.152 O=C(O)C(Br)C(Br)C1=CC=CC=C1 S764841 [0,2,0,0,0,0|2,0,0]=4 520 B13R1.152 O=C(O)C(Cl)C(Cl)C1=CC=CC=C1 PH009327 [0,2,0,0,0,0|2,0,0]=4 521 B13R1.202 CC(=O)C(Cl)CC1=CC=CC=C1Cl S567191 [0,2,0,0,0,0|1,0,0]=3 522 B13R1.202 CC1=C(C=CC=C1)CC(N)C(=O)O R410985 [0,2,0,0,0,0|2,0,0]=4 523 B13R1.202 NC(CC1=CC=CC=C1Cl)C(=O)O R262129 [0,2,0,0,0,0|2,0,0]=4 524 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)N PH008852 [0,2,0,0,0,0|2,0,0]=4 525 B13R1.1073 CC(=O)C(C)(Cl)CC1=CC=CC=C1 S567248 [0,2,0,0,0,0|1,0,0]=3 526 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)N PH007307 [0,2,0,0,0,0|2,0,0]=4 527 B13R1.147 NC(CC(=O)O)C1=CC=CC(=C1)Cl PH006840 [0,2,0,0,0,0|2,0,0]=4 528 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1O CDS008776 [0,2,0,0,0,0|1,0,1]=4 529 B13R1.201 CC(CC(=O)O)C1=CC=CC=C1I T135852 [0,2,0,0,0,0|2,0,0]=4 530 B13R1.347 CC(=O)CC(C)(C)C1=CC=CC=C1 S657409 [0,2,0,0,0,0|1,0,0]=3 531 B13R1.347 CC(=O)NS(=O)(=O)C1=CC=CC=C1 PH008266 [0,2,0,0,0,0|2,0,0]=4 532 B13R1.352 CS(=O)(=O)CC(O)C1=CC=CC=C1 S319104 [0,2,0,0,0,0|2,0,0]=4 533 B13R1.352 CS(=O)(=O)CC(O)C1=CC=CC=C1 S825093 [0,2,0,0,0,0|2,0,0]=4 534 B13R1.713 C#CC(OC(=O)N)C1=CC=CC=C1 PH005091 [0,2,0,0,0,0|1,0,0]=3 535 B13R1.713 C=CC(OC(=O)C)C1=CC=CC=C1 S877182 [0,2,0,0,0,0|0,0,0]=2 536 B13R1.713 CC(=O)N[C@@H](CO)C1=CC=CC=C1 PH014391 [0,2,0,0,0,0|1,0,0]=3 537 B13R1.713 CCN(NC(=O)C)C1=CC=CC=C1 PH007155 [0,2,0,0,0,0|2,0,0]=4 538 B13R1.713 CNC(CC(=O)O)C1=CC=CC=C1 PH015123 [0,2,0,0,0,0|2,0,0]=4 539 B13R1.90 CC(=O)COC1=CC=CC=C1C#N R299871 [0,2,0,0,0,0|2,0,0]=4 540 B13R1.90 N#CC1=CC=CC=C1CCC(=O)O T314889 [0,2,0,0,0,0|2,0,0]=4 541 B13R1.893 CC(=O)O[Hg]C1=C(C=CC(=C1)I)N S880914 [0,2,0,0,0,0|1,0,0]=3 542 B13R1.893 O=C(O)CCC1=CC(=CC=C1Cl)Cl JRD0472 [0,2,0,0,0,0|2,0,0]=4 543 B13R1.643 CC(=O)OCC1=CC(=CC=C1)C#N BOG00135 [0,2,0,0,0,0|0,0,0]=2 544 B13R1.3420 CC1=CC(=CC(=C1)CCC(=O)O)C CBR00487 [0,2,0,0,0,0|2,0,0]=4 545 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [1,0,0,1,0,0|2,0,0]=4 546 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [1,0,0,1,0,0|2,0,0]=4 547 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [1,0,0,1,0,0|1,0,0]=3 548 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [1,0,0,1,0,0|1,0,0]=3 549 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [1,0,0,1,0,0|1,0,1]=4 550 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [1,0,0,1,0,0|2,0,0]=4 551 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [1,0,0,1,0,0|1,0,1]=4 552 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [0,0,0,1,1,0|0,0,2]=4 553 B11R2.10 CN1CC2=CC=CC=C2C1 PH012966 [0,0,0,1,1,0|2,0,0]=4 554 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,0,0,1,1,0|2,0,0]=4 555 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [0,0,0,1,1,0|2,0,0]=4 556 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,0,0,1,1,0|1,1,0]=4 557 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,0,0,1,1,0|1,1,0]=4 558 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [0,0,0,1,1,0|1,0,1]=4 559 B11R2.10 SC1CC2=CC=CC=C2C1 CDS023745 [0,0,0,1,1,0|0,1,1]=4 560 B11R2.10 [C@H]12C=CC=C[C@H]1CC(=O)C2 T183474 [0,0,0,1,1,0|0,0,2]=4 561 B13R2.10 BrC1=NOC(C1)C2=CC=CC=C2 SYX00179 [0,0,0,1,0,1|1,0,0]=3 562 B13R2.10 CC1=CC(=NO1)C2=CC=CC=C2 PH004014 [0,0,0,1,0,1|1,0,1]=4 563 B13R2.10 CC1=NC(=NO1)C2=CC=CC=C2 CDS000772 [0,0,0,1,0,1|1,0,1]=4 564 B13R2.10 CC1=NNC(C1)C2=CC=CC=C2 PH013767 [0,0,0,1,0,1|2,0,0]=4 565 B13R2.10 N1N=C(CC1=O)C2=CC=CC=C2 S944661 [0,0,0,1,0,1|1,0,1]=4 566 B13R2.10 O=C1C=CN(C1)C2=CC=CC=C2 R464171 [0,0,0,1,0,1|1,0,1]=4 567 B13R2.10 O=C1CSC(N1)C2=CC=CC=C2 PH010364 [0,0,0,1,0,1|1,1,0]=4 568 B13R2.10 O=C1[CH-][N+](=NO1)C2=CC=CC=C2 R818488 [0,0,0,1,0,1|1,0,1]=4 569 B13R2.72 CC(=O)C1=NNC2=CC=CC=C12 CDS005905 [0,0,0,1,0,1|2,0,0]=4 570 B13R2.72 NC(=O)N1CCC2=CC=CC=C12 T325570 [0,0,0,1,0,1|2,0,0]=4 571 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 CDS016073 [0,0,0,1,0,1|2,0,0]=4 572 B13R2.72 O=C(O)C1=CCC2=C1C=CC=C2 MNO000013 [0,0,0,1,0,1|2,0,0]=4 573 B13R2.72 O=C(O)C1CCC2=CC=CC=C12 CDS014135 [0,0,0,1,0,1|2,0,0]=4 574 B13R2.72 O=C(O)C1NCC2=CC=CC=C12 CDS008978 [0,0,0,1,0,1|2,0,0]=4 575 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 T203084 [0,0,0,1,0,1|1,0,0]=3 576 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T167568 [0,0,0,1,0,1|2,0,0]=4 577 B13R2.163 O=C1CCNC2=CC=CC=C2N1 T324922 [0,0,0,1,0,1|2,0,0]=4 578 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 S354562 [0,0,0,1,0,1|1,0,0]=3 579 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 CDS006614 [0,1,0,1,0,0|2,0,0]=4 580 B13R2.155 O=C1CCC2=C(O1)C=C(C=C2)Br IDF00036 [0,1,0,1,0,0|2,0,0]=4 581 B13R2.32 CN1C(=O)CSC2=CC=CC=C12 T313084 [0,1,0,1,0,0|2,0,0]=4 582 B13R2.33 O=C1C=CC2=C(C=CC=C2)CC1 T199605 [0,1,0,1,0,0|1,0,1]=4 583 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 T199613 [0,1,0,1,0,0|1,0,0]=3 584 B13R2.33 O=C1CNC2=CC=CC=C2CN1 CDS003920 [0,1,0,1,0,0|1,0,0]=3 585 B13R2.57 CCC1=NC2=CC=CC=C2CN1 PH013509 [0,1,0,1,0,0|2,0,0]=4 586 B13R2.2383 C1=CC=C(C=C1)COC2CNC2 CBR01702 [0,1,0,1,0,0|1,0,1]=4 587 B13R2.369 CC1=NC2=CC=CC=C2CN1C PH013505 [0,1,0,1,0,0|2,0,0]=4 588 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [0,1,0,1,0,0|2,0,0]=4 589 B13R2.369 CC1CC2=CC=CC=C2OC1=O T217115 [0,1,0,1,0,0|2,0,0]=4 590 B13R2.435 CC(=O)C1=NC2=C(S1)C=CC=C2 CDS003776 [0,1,0,1,0,0|2,0,0]=4 591 B13R2.382 C=C1CC1C(O)C2=CC=CC=C2 L168629 [0,1,0,1,0,0|2,0,0]=4 592 B13R2.222 O=S1(=O)CCC2=C(C1)C=CC=C2 T163694 [0,1,0,1,0,0|2,0,0]=4 593 B13R2.162 O=C1CCC2=C(C1)C(=CC=C2)Br PH014667 [0,1,0,1,0,0|1,0,0]=3 594 B13R2.162 O=C1CCC2=CC=CC(=C2C1)Cl PH014571 [0,1,0,1,0,0|1,0,0]=3 595 B13R2.3683 CC1=CC=C2OC(=O)CCC2=C1 IDF00001 [0,1,0,1,0,0|2,0,0]=4 596 B13R2.3683 CC1=CC=C2SC(=O)CCC2=C1 IDF00008 [0,1,0,1,0,0|2,0,0]=4 597 B13R2.3683 O=C1CCC2=CC(=CC=C2O1)Br PH010437 [0,1,0,1,0,0|2,0,0]=4 598 B13R2.3683 O=C1CCC2=CC(=CC=C2S1)Cl IDF00017 [0,1,0,1,0,0|2,0,0]=4 599 B13R2.3683 O=C1NC2=CC=C(C=C2CO1)Br PHB00124 [0,1,0,1,0,0|1,0,0]=3 600 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [0,0,0,0,2,0|0,1,1]=4 601 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [0,0,0,0,2,0|2,0,0]=4 602 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [0,0,0,0,2,0|2,0,0]=4 603 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [0,0,0,0,2,0|2,0,0]=4 604 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [0,0,0,0,2,0|2,0,0]=4 605 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [0,0,0,0,2,0|2,0,0]=4 606 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [0,0,0,0,2,0|2,0,0]=4 607 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,0,0,0,2,0|1,0,0]=3 608 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,0,0,0,2,0|2,0,0]=4 609 B9R1.13 CC(=O)CC1=CC=CO1 CDS001522 [0,0,0,0,2,0|1,0,0]=3 610 B9R1.13 CC(=O)CN1C=CC=N1 CBR00875 [0,0,0,0,2,0|2,0,0]=4 611 B9R1.13 CC(=O)NC1=CSC=C1 S943886 [0,0,0,0,2,0|2,0,0]=4 612 B9R1.13 NC(=O)CC1=CC=CS1 S90671 [0,0,0,0,2,0|2,0,0]=4 613 B9R1.13 O=C(O)CC1=CNC=C1 CDS023068 [0,0,0,0,2,0|2,0,0]=4 614 B13R1.337 CC(=CCCOC1=CC=CC=C1)C S36987 [0,0,0,0,0,2|2,0,0]=4 615 B13R1.337 CC(=O)OCCSC1=CC=CC=C1 S866393 [0,0,0,0,0,2|0,0,0]=2 616 B13R1.337 NC(=O)CCSCC1=CC=CC=C1 S620157 [0,0,0,0,0,2|1,1,0]=4 617 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 PH006883 [0,0,0,0,0,2|1,0,0]=3 618 B13R1.337 O=C(Cl)CCCOC1=CC=CC=C1 CDS000728 [0,0,0,0,0,2|2,0,0]=4 619 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 PH010076 [0,0,0,0,0,2|2,0,0]=4 620 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 ANV00333 [0,0,0,0,0,2|1,0,0]=3 621 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 S541575 [0,0,0,0,0,2|1,1,0]=4 622 B13R1.337 O=C(O)CSCCC1=CC=CC=C1 S541567 [0,0,0,0,0,2|1,1,0]=4