0 B12R1.43 CC(=O)N(C)NC1=CC=CC=C1 S548928 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.43 CC(C)C(=O)NC1=CC=CC=C1 S799874 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 S939773 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 S889105 [0,0,0,0,0,0|1,0,1]=2 8 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 S579718 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.43 CN(C)C(=O)OC1=CC=CC=C1 S364436 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.43 CN(C)C(=O)OC1=CN=CC=C1 PH016102 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.43 CN(C)C(=S)NC1=CC=CC=C1 S347302 [0,0,0,0,0,0|2,0,1]=3 12 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N PH015234 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.43 CN(CC1=CC=CC=C1)C(=O)Cl PH008817 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N CBR01175 [0,0,0,0,0,0|4,0,0]=4 15 B12R1.43 CN(N)C(=S)NC1=CC=CC=C1 PH009743 [0,0,0,0,0,0|3,0,1]=4 16 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.40 CNC(C)CC1=NC=CC=C1 CBR00462 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [1,0,0,0,0,0|1,0,2]=4 26 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.91 CC(C)N=CC1=CC=CC=C1 S376825 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.91 CC(C)NCC1=CC=CN=C1 CBR00082 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.91 CN(C)/C=C/C1=CC=NC=C1 PH014856 [1,0,0,0,0,0|1,0,2]=4 40 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 R428108 [1,0,0,0,0,0|1,0,1]=3 41 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 S361119 [1,0,0,0,0,0|1,0,1]=3 42 B11R1.91 CN(C)CCC1=CC=NC=C1 PH000201 [1,0,0,0,0,0|1,0,0]=2 43 B11R1.91 CN(C)CCC1=CN=CC=N1 PH012649 [1,0,0,0,0,0|2,0,0]=3 44 B11R1.91 CN(C)CCC1=NC=CC=C1 PH000750 [1,0,0,0,0,0|1,0,0]=2 45 B11R1.91 CN(C)CCC1=NC=CC=C1 S456276 [1,0,0,0,0,0|1,0,0]=2 46 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [1,0,0,0,0,0|1,0,0]=2 47 B11R1.91 CN(O)CCC1=CC=NC=C1 PH008939 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [1,0,0,0,0,0|3,0,0]=4 49 B13R1.133 CC(=O)C(Cl)CC1=CC=C(C=C1)Cl S567140 [0,1,0,0,0,0|3,0,0]=4 50 B13R1.133 CC(CC1=CC=C(C=C1)O)C(=O)O PH008203 [0,1,0,0,0,0|3,0,0]=4 51 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O R245267 [0,1,0,0,0,0|3,0,0]=4 52 B13R1.133 CC1=CC=C(C=C1)NC(=O)N(C)C S613215 [0,1,0,0,0,0|2,0,1]=4 53 B13R1.133 CC1=CC=C(C=C1)NC(=S)N(C)C S536393 [0,1,0,0,0,0|2,0,1]=4 54 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)Br CBR00435 [0,1,0,0,0,0|1,0,1]=3 55 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)O CDS020902 [0,1,0,0,0,0|1,0,1]=3 56 B13R1.133 CN(C)C(=O)NC1=CC=C(C=C1)Br S597708 [0,1,0,0,0,0|2,0,1]=4 57 B13R1.133 CN(C)C(=O)NC1=CC=C(C=C1)F S601640 [0,1,0,0,0,0|2,0,1]=4 58 B13R1.133 CN(C)C(=O)NC1=CC=C(C=C1)I S905356 [0,1,0,0,0,0|2,0,1]=4 59 B13R1.133 CN(C)C(=O)SC1=CC=C(C=C1)Cl PH007504 [0,1,0,0,0,0|2,0,1]=4 60 B13R1.133 CN(C)C(=S)NC1=CC=C(C=C1)Cl S541206 [0,1,0,0,0,0|2,0,1]=4 61 B13R1.133 C[C@H](CC1=CC=C(C=C1)N)C(=O)O PH001854 [0,1,0,0,0,0|3,0,0]=4 62 B13R1.135 COC(=O)C(C)OC1=CC=CC=C1 JRD1262 [0,1,0,0,0,0|3,0,0]=4 63 B13R1.135 COC(=O)C(C)SC1=CC=CC=C1 S620203 [0,1,0,0,0,0|3,0,0]=4 64 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 PH011323 [0,1,0,0,0,0|3,0,0]=4 65 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 PH000793 [0,1,0,0,0,0|3,0,0]=4 66 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 PH009923 [0,1,0,0,0,0|3,0,0]=4 67 B13R1.135 CON(C)C(=O)NC1=CC=CC=C1 S586269 [0,1,0,0,0,0|2,0,1]=4 68 B13R1.148 CC(=O)C(Cl)CC1=CC=CC(=C1)Cl S567183 [0,1,0,0,0,0|3,0,0]=4 69 B13R1.148 CC1=CC=CC(=C1)NC(=O)N(C)C S604631 [0,1,0,0,0,0|2,0,1]=4 70 B13R1.148 CC1=CC=CC(=C1)NC(=S)N(C)C S373389 [0,1,0,0,0,0|2,0,1]=4 71 B13R1.148 CN(C)C(=O)CC1=CC(=CC=C1)Cl PH008587 [0,1,0,0,0,0|1,0,1]=3 72 B13R1.148 CN(C)C(=O)NC1=CC(=CC=C1)Cl S590371 [0,1,0,0,0,0|2,0,1]=4 73 B13R1.148 CN(C)C(=O)NC1=CC=CC(=C1)Br S717878 [0,1,0,0,0,0|2,0,1]=4 74 B13R1.152 C(C)(C1=CC=CC=C1)[C@@H](C)N(C)C S497436 [0,1,0,0,0,0|0,0,0]=1 75 B13R1.152 CC(=O)C(Br)C(Br)C1=CC=CC=C1 S366706 [0,1,0,0,0,0|3,0,0]=4 76 B13R1.152 CC(C(=O)O)C(C)C1=CC=CC=C1 S697214 [0,1,0,0,0,0|3,0,0]=4 77 B13R1.152 CC(C(O)C1=CC=CC=C1)[N+](=O)[O-] S919144 [0,1,0,0,0,0|2,0,1]=4 78 B13R1.152 C[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 T292249 [0,1,0,0,0,0|3,0,0]=4 79 B13R1.202 CC(=O)C(Cl)CC1=CC=CC=C1Cl S567191 [0,1,0,0,0,0|3,0,0]=4 80 B13R1.202 CC1=C(C=CC=C1)NC(=O)N(C)C S606278 [0,1,0,0,0,0|2,0,1]=4 81 B13R1.202 CC1=C(C=CC=C1)NC(=S)N(C)C S361151 [0,1,0,0,0,0|2,0,1]=4 82 B13R1.353 CC(C)(C)C(O)CC1=CC=CC=C1 S722154 [0,1,0,0,0,0|2,0,0]=3 83 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)N PH008852 [0,1,0,0,0,0|3,0,0]=4 84 B13R1.1073 CC(=O)C(C)(Cl)CC1=CC=CC=C1 S567248 [0,1,0,0,0,0|2,0,0]=3 85 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)N PH007307 [0,1,0,0,0,0|3,0,0]=4 86 B13R1.1073 CC(O)C(C)(C)CC1=CC=CC=C1 S734535 [0,1,0,0,0,0|2,0,0]=3 87 B13R1.1073 CN(C)C(C)(C)CC1=CC=CC=C1 PH012626 [0,1,0,0,0,0|0,0,0]=1 88 B13R1.1073 CN(C)S(=O)(=O)CC1=CC=CC=C1 T299715 [0,1,0,0,0,0|2,0,0]=3 89 B13R1.1073 CN(C)S(=O)(=O)NC1=CC=CC=C1 PH010688 [0,1,0,0,0,0|3,0,0]=4 90 B13R1.1073 C[S+](C)C(C)(C)CC1=CC=CC=C1 S128457 [0,1,0,0,0,0|1,0,0]=2 91 B13R2.359 CC1(C(=O)CC2=C1C=CC=C2)C PH008000 [0,0,0,1,0,0|2,0,1]=4 92 B13R2.359 CC1CC2=C(S1(=O)=O)C=CC=C2 S100218 [0,0,0,1,0,0|3,0,0]=4 93 B13R2.369 CC1=NC2=CC=CC=C2CN1C PH013505 [0,0,0,1,0,0|1,0,1]=3 94 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [0,0,0,1,0,0|3,0,0]=4 95 B13R2.369 CC1CC2=CC=CC=C2OC1=O T217115 [0,0,0,1,0,0|3,0,0]=4 96 B13R2.444 CC(NC1=CC=CC=C1)C2CC2 S248886 [0,0,0,1,0,0|2,0,0]=3 97 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [0,0,0,0,1,0|2,0,0]=3 98 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [0,0,0,0,1,0|2,0,0]=3 99 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [0,0,0,0,1,0|2,0,1]=4 100 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,0,0,0,1,0|2,0,0]=3 101 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,0,0,0,1,0|3,0,0]=4 102 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,0,0,0,1,0|3,0,0]=4 103 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [0,0,0,0,1,0|1,0,0]=2 104 B11R1.36 CC(C)C(N)C1=CC=CC=N1 CBR00662 [0,0,0,0,1,0|3,0,0]=4 105 B11R1.36 CC(C)C(N)C1=CC=CN=C1 CBR00667 [0,0,0,0,1,0|3,0,0]=4 106 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [0,0,0,0,1,0|2,0,0]=3 107 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [0,0,0,0,1,0|0,0,0]=1 108 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [0,0,0,0,1,0|2,0,0]=3 109 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [0,0,0,0,1,0|2,0,0]=3 110 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [0,0,0,0,1,0|2,0,0]=3 111 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [0,0,0,0,1,0|2,0,0]=3 112 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [0,0,0,0,1,0|2,0,0]=3 113 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [0,0,0,0,1,0|2,0,0]=3 114 B11R1.36 CN(C)C(=O)C1=CN=CC=C1 CDS000360 [0,0,0,0,1,0|2,0,1]=4 115 B11R1.36 CN(C)C(=S)C1=CC=NC=C1 PH007726 [0,0,0,0,1,0|2,0,1]=4 116 B11R1.36 CN(N)C(=N)C1=CC=CC=C1 S32361 [0,0,0,0,1,0|2,0,1]=4 117 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [0,0,0,0,1,0|2,0,0]=3 118 B13R1.348 CC(CC1=CC=CC=C1)NC(=S)N L259071 [0,0,0,0,0,1|3,0,0]=4 119 B13R1.348 CC(CN(C)C)OC1=CC=CC=C1 PH012058 [0,0,0,0,0,1|1,0,0]=2 120 B13R1.348 CN(C)CC(Cl)CC1=CC=CC=C1 PH012586 [0,0,0,0,0,1|1,0,0]=2 121 B13R1.348 CN(C)NC(=O)NC1=CC=CC=C1 S606286 [0,0,0,0,0,1|2,0,1]=4 122 B13R1.348 CN(C)NC(=S)NC1=CC=CC=C1 S632015 [0,0,0,0,0,1|2,0,1]=4 123 B13R1.348 C[C@H](CC1=CC=CC=C1)NC(=O)N PH008163 [0,0,0,0,0,1|3,0,0]=4 124 B13R1.351 C/C(=N\NC1=CC=CC=C1)/C(C)C S510726 [0,0,0,0,0,1|2,0,1]=4 125 B13R1.351 CC(C)C(=O)CCC1=CC=CC=C1 PH000319 [0,0,0,0,0,1|2,0,1]=4 126 B13R1.351 CC(C)C(=O)NCC1=CC=CC=C1 R343803 [0,0,0,0,0,1|2,0,1]=4 127 B13R1.351 CC(COC1=CC=CC=C1)N(C)C PH012071 [0,0,0,0,0,1|0,0,0]=1 128 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O PH010131 [0,0,0,0,0,1|3,0,0]=4 129 B13R1.351 CN(C)C(=O)/C=C/C1=CC=CC=C1 PH006876 [0,0,0,0,0,1|1,0,2]=4 130 B13R1.351 CN(C)C(=S)NCC1=CC=CC=C1 S542717 [0,0,0,0,0,1|1,0,1]=3 131 B13R1.351 CN(C)C(=S)S[Hg]C1=CC=CC=C1 S366145 [0,0,0,0,0,1|2,0,1]=4 132 B13R1.351 C[C@H](SCC1=CC=CC=C1)C(=O)O PH017935 [0,0,0,0,0,1|3,0,0]=4 133 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [2,0,0,0,0,0|2,0,0]=4 134 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [2,0,0,0,0,0|1,0,0]=3 135 B10R1.17 CNCCC1=NC=CC=C1 R750492 [2,0,0,0,0,0|1,0,0]=3 136 B10R1.17 COCCC1=CC=NC=C1 PH007374 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [2,0,0,0,0,0|2,0,0]=4 138 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [2,0,0,0,0,0|1,0,0]=3 139 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [2,0,0,0,0,0|2,0,0]=4 140 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [2,0,0,0,0,0|1,1,0]=4 141 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [2,0,0,0,0,0|0,0,2]=4 142 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [2,0,0,0,0,0|1,0,0]=3 144 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [2,0,0,0,0,0|1,0,0]=3 145 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [2,0,0,0,0,0|1,0,0]=3 146 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [2,0,0,0,0,0|2,0,0]=4 147 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [2,0,0,0,0,0|1,0,0]=3 148 B12R1.32 CC#CC(O)CC1=CC=CC=C1 S935468 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.32 CC(CCN)SC1=CC=CC=C1 S117501 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.32 CC(CNN)OC1=CC=CC=C1 PH018967 [1,1,0,0,0,0|2,0,0]=4 151 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [1,1,0,0,0,0|2,0,0]=4 152 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [1,1,0,0,0,0|1,0,1]=4 153 B12R1.32 CN(CCCl)CC1=CC=CC=C1 S427179 [1,1,0,0,0,0|2,0,0]=4 154 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [1,1,0,0,0,0|2,0,0]=4 155 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [1,1,0,0,0,0|2,0,0]=4 156 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [1,1,0,0,0,0|2,0,0]=4 157 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [1,1,0,0,0,0|2,0,0]=4 158 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [1,1,0,0,0,0|1,0,1]=4 159 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 PH018434 [1,1,0,0,0,0|0,0,0]=2 160 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [1,1,0,0,0,0|0,0,0]=2 161 B12R1.118 CCN(CC)CC1=CC=CC=C1 R235946 [1,1,0,0,0,0|2,0,0]=4 162 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 PH008400 [1,1,0,0,0,0|0,0,0]=2 163 B12R1.118 COC(OC)SC1=CC=CC=C1 S866296 [1,1,0,0,0,0|2,0,0]=4 164 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 OTV000771 [1,1,0,0,0,0|2,0,0]=4 165 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 PH007325 [1,1,0,0,0,0|2,0,0]=4 166 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 R425613 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 PH010917 [1,1,0,0,0,0|1,0,0]=3 168 B12R1.194 CNS(=O)(=O)CC1=CC=CC=C1 PH011278 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.371 CNC(C)CC1=NC=CC=C1C PH015005 [1,1,0,0,0,0|1,0,0]=3 170 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [1,1,0,0,0,0|1,0,1]=4 171 B12R1.21 CC(C)CCC1=CC=C(C=C1)O S511803 [1,1,0,0,0,0|1,0,0]=3 172 B12R1.21 CC(C)COC1=CC=C(C=C1)N CDS008265 [1,1,0,0,0,0|2,0,0]=4 173 B12R1.21 CC(C)NCC1=CC=C(C=C1)Cl PH011090 [1,1,0,0,0,0|2,0,0]=4 174 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S452254 [1,1,0,0,0,0|0,0,0]=2 175 B12R1.21 CN(C)CSC1=CC=C(C=C1)Cl PH007326 [1,1,0,0,0,0|1,0,0]=3 176 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [1,1,0,0,0,0|2,0,0]=4 177 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [1,1,0,0,0,0|2,0,0]=4 178 B12R1.107 C/C(=N/N(C)C)/C1=CC=CC=C1 S881090 [1,1,0,0,0,0|1,0,1]=4 179 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 S561150 [1,1,0,0,0,0|1,0,1]=4 180 B12R1.107 CC(CN(C)C)C1=CN=CC=N1 PH012696 [1,1,0,0,0,0|2,0,0]=4 181 B12R1.107 CC(CN(C)N)C1=CC=CC=C1 PH001335 [1,1,0,0,0,0|1,0,0]=3 182 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH011871 [1,1,0,0,0,0|0,0,0]=2 183 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH018832 [1,1,0,0,0,0|0,0,0]=2 184 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 PH018728 [1,1,0,0,0,0|0,0,0]=2 185 B12R1.125 CC1=CC=CC=C1CNC(C)C CDS011840 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.891 CC(C)(C)OCC1=CC=CC=C1 S653853 [1,1,0,0,0,0|2,0,0]=4 187 B12R1.891 C[Si](Cl)(Cl)CCC1=CC=CC=C1 S585440 [1,1,0,0,0,0|2,0,0]=4 188 B12R1.20 CC1=CC=C(C=C1)C(=O)N(C)C S886033 [0,1,0,0,1,0|1,0,1]=4 189 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)Br CDS003955 [0,1,0,0,1,0|1,0,1]=4 190 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)Cl L168815 [0,1,0,0,1,0|1,0,1]=4 191 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)I L168521 [0,1,0,0,1,0|1,0,1]=4 192 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)O CDS011629 [0,1,0,0,1,0|1,0,1]=4 193 B12R1.124 CC1=CC=CC=C1N(C)N(C)C PH012360 [0,1,0,0,1,0|1,0,0]=3 194 B12R1.124 CN(C)C(=O)C1=CC=CC=C1Br CDS020037 [0,1,0,0,1,0|1,0,1]=4 195 B12R1.124 CN(C)C(=O)C1=CC=CC=C1O CBR00188 [0,1,0,0,1,0|1,0,1]=4 196 B12R1.225 CC(C1=CC=CC(=C1)O)N(C)C CDS006914 [0,1,0,0,1,0|0,0,0]=2 197 B12R1.225 CN(C)C(=O)C1=CC(=CC=C1)Br EME00401 [0,1,0,0,1,0|1,0,1]=4 198 B12R1.225 CN(C)C(=O)C1=CC=CC(=C1)Cl PH008997 [0,1,0,0,1,0|1,0,1]=4 199 B12R1.225 CN(C)C(=O)C1=CC=CC(=C1)N OTV000592 [0,1,0,0,1,0|1,0,1]=4 200 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S306045 [0,1,0,0,1,0|2,0,0]=4 201 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S495409 [0,1,0,0,1,0|2,0,0]=4 202 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 R157570 [0,1,0,0,1,0|2,0,0]=4 203 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S490466 [0,1,0,0,1,0|2,0,0]=4 204 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S495131 [0,1,0,0,1,0|2,0,0]=4 205 B12R1.478 C(CC)(C1=CC=CC=C1)[C@@H](C)O S316032 [0,1,0,0,1,0|2,0,0]=4 206 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 S380946 [0,1,0,0,1,0|1,0,1]=4 207 B12R1.478 CNC(C(=O)C)C1=CC=CC=C1 PH012470 [0,1,0,0,1,0|2,0,0]=4 208 B12R1.564 CC(C)(N)C(O)C1=CC=CC=C1 PH004997 [0,1,0,0,1,0|2,0,0]=4 209 B12R1.564 CC(C1=CC=CC=C1)[N+](C)(C)C S312444 [0,1,0,0,1,0|0,0,1]=3 210 B12R1.564 CC(C1=CC=CC=C1)[N+](C)(C)C S988030 [0,1,0,0,1,0|0,0,1]=3 211 B14R1.417 CC(=O)OC(C)C(C)C1=CC=CC=C1 S495166 [0,1,0,0,0,1|2,0,0]=4 212 B14R1.417 CC(CN(C)C)C(=O)C1=CC=CC=C1 S346667 [0,1,0,0,0,1|0,0,1]=3 213 B14R1.417 CC(CN(C)C)C(=O)C1=CC=CC=C1 S365831 [0,1,0,0,0,1|0,0,1]=3 214 B14R1.425 CC(C)C(=O)N(C)CC1=CC=CC=C1 S861278 [0,1,0,0,0,1|2,0,0]=4 215 B14R1.425 CC(CC1=CC=CC=C1)C(=O)N(C)C S497673 [0,1,0,0,0,1|0,0,0]=2 216 B14R1.549 CS/C(=N\C1=CC=CC=C1)/NN(C)C PH013005 [0,1,0,0,0,1|1,0,1]=4 217 B14R1.743 C[C@H](CC1=CC=CC=C1)NC(=O)CCl PH008164 [0,1,0,0,0,1|2,0,0]=4 218 B14R1.1485 CC(=O)NC(C)(C)CC1=CC=CC=C1 PH007623 [0,1,0,0,0,1|2,0,0]=4 219 B14R1.415 C/C(=C\C(=O)C1=CC=CC=C1)/N(C)C KOB0015 [0,1,0,0,0,1|0,0,2]=4 220 B14R1.415 CC(C)N(C)CC(=O)C1=CC=CC=C1 PH012133 [0,1,0,0,0,1|2,0,0]=4 221 B14R1.415 CC(C)N(C)CC(O)C1=CC=CC=C1 PH014917 [0,1,0,0,0,1|2,0,0]=4 222 B14R1.756 COC(=O)C(C)CSC1=CC=CC=C1 S614033 [0,1,0,0,0,1|2,0,0]=4 223 B14R1.7626 CC(=O)C(C)(Cl)CC1=CC=C(C=C1)Cl S567124 [0,2,0,0,0,0|2,0,0]=4 224 B14R1.296 CN(CC1=CC=CC=C1)C(C)(C)C#N PH001490 [0,2,0,0,0,0|2,0,0]=4 225 B14R1.1017 CN(C)C(CO)C(O)C1=CC=CC=C1 S876615 [0,2,0,0,0,0|0,0,0]=2 226 B14R1.6391 CN(C)C(C)(C)C(=O)C1=CC=CC=C1 PH007211 [0,2,0,0,0,0|0,0,1]=3 227 B14R1.10526 CC(C)(C)C(O)C(O)C1=CC=CC=C1 S770922 [0,2,0,0,0,0|2,0,0]=4 228 B14R1.980 CC(C)N(CCCl)CC1=CC=CC=C1 PH019546 [0,2,0,0,0,0|2,0,0]=4 229 B14R1.4513 CC(=O)C(CC1=CC=CC=C1)C(=O)C CBR02262 [0,2,0,0,0,0|2,0,0]=4 230 B12R2.18 CC1CC2=C(N1C)C=CC=C2 S786780 [1,0,0,1,0,0|0,0,0]=2 231 B12R2.24 OC1CCC2=C(C1)C=CC=C2 TMT00302 [1,0,0,1,0,0|2,0,0]=4 232 B12R2.27 N#CC1C[C@@H]1C2=CC=CC=C2 S446866 [1,0,0,1,0,0|2,0,0]=4 233 B12R2.32 CNC1CC2=CC=CC=C2C1 CBR01430 [1,0,0,1,0,0|0,0,0]=2 234 B12R2.32 NNC1CC2=C(C1)C=CC=C2 CBR01348 [1,0,0,1,0,0|1,0,0]=3 235 B12R2.32 NNC1CC2=CC=CC=C2C1 PH019071 [1,0,0,1,0,0|1,0,0]=3 236 B12R2.2057 C1=CC=C(C=C1)CNC2CC2 CDS004803 [1,0,0,1,0,0|2,0,0]=4 237 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 CDS015636 [0,0,0,1,1,0|2,0,0]=4 238 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 PH007913 [0,0,0,1,0,1|2,0,0]=4 239 B14R2.790 CC(=O)NC1CC1C2=CC=CC=C2 T199419 [0,0,0,1,0,1|2,0,0]=4 240 B14R2.260 CN1CC(CC1=O)C2=CC=CC=C2 PH007835 [0,0,0,1,0,1|1,0,1]=4 241 B14R2.2899 CC(NCC1=CC=CC=C1)C2CC2 S246123 [0,0,0,1,0,1|1,0,0]=3 242 B14R2.4402 CC(N)C1CC1C2=CC=C(C=C2)Br CDS023507 [0,1,0,1,0,0|2,0,0]=4 243 B14R2.30 CN1CCOC1=NC2=CC=CC=C2 PH009380 [0,1,0,1,0,0|1,0,1]=4 244 B14R2.30 CN\1CCS/C1=N/C2=CC=CC=C2 PH009385 [0,1,0,1,0,0|1,0,1]=4 245 B14R2.30 N[C@@H]1CCC[C@@H]1CC2=CC=CC=C2 PH018573 [0,1,0,1,0,0|2,0,0]=4 246 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 S134104 [0,1,0,1,0,0|2,0,0]=4 247 B14R2.958 CNC(=O)C1CC1C2=CC=CC=C2 T199354 [0,1,0,1,0,0|2,0,0]=4 248 B14R2.972 CC(CO)N1CC2=C(C1)C=CC=C2 T260681 [0,1,0,1,0,0|2,0,0]=4 249 B14R2.1128 CN1CC2=CC=CC=C2CC1CN CBR00616 [0,1,0,1,0,0|0,0,0]=2 250 B14R2.1128 CN1CC2=CC=CC=C2CC1CN PH019404 [0,1,0,1,0,0|0,0,0]=2 251 B14R2.1128 CNC1CC2=CC=CC=C2OC1C PH013131 [0,1,0,1,0,0|2,0,0]=4 252 B14R2.4514 CC1C(=CCN1C)C2=CC=CC=C2 PH012736 [0,1,0,1,0,0|0,0,1]=3 253 B14R2.8188 CC1NC2=C(C=CC=C2)C(=O)N1C PH008318 [0,1,0,1,0,0|1,0,1]=4 254 B14R2.5443 CC(N)C1CC1C2=CC=CC=C2Br CDS023506 [0,1,0,1,0,0|2,0,0]=4 255 B14R2.21280 O=S(=O)(CC1=CC=CC=C1)N2CC2 S14002 [0,1,0,1,0,0|2,0,0]=4 256 B14R2.21280 O=S(=O)(CC1=CC=CC=C1)N2CC2 S248541 [0,1,0,1,0,0|2,0,0]=4 257 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [1,0,0,0,1,0|2,0,0]=4 258 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [1,0,0,0,1,0|1,0,0]=3 259 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [1,0,0,0,1,0|2,0,0]=4 260 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [1,0,0,0,1,0|0,0,0]=2 261 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [1,0,0,0,1,0|0,0,0]=2 262 B10R1.15 CNC(C)C1=CC=NC=N1 CBR00694 [1,0,0,0,1,0|2,0,0]=4 263 B12R1.252 CC(=CCOC1=CC=CC=C1)C S134643 [1,0,0,0,0,1|1,0,1]=4 264 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [1,0,0,0,0,1|2,0,0]=4 265 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [1,0,0,0,0,1|2,0,0]=4 266 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [1,0,0,0,0,1|2,0,0]=4 267 B12R1.252 CC(C)CCNC1=CC=CC=C1 S705780 [1,0,0,0,0,1|1,0,0]=3 268 B12R1.252 CC(C)CNCC1=CC=CC=C1 CBR01593 [1,0,0,0,0,1|1,0,0]=3 269 B12R1.252 CC(C)NCCC1=CC=CC=N1 PH010347 [1,0,0,0,0,1|2,0,0]=4 270 B12R1.252 CC(O)CCCC1=CC=CC=C1 PH000677 [1,0,0,0,0,1|2,0,0]=4 271 B12R1.252 CC(O)CCSC1=CC=CC=C1 T233005 [1,0,0,0,0,1|2,0,0]=4 272 B12R1.252 CC(O)CNCC1=CC=CC=C1 PH009735 [1,0,0,0,0,1|2,0,0]=4 273 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [1,0,0,0,0,1|2,0,0]=4 274 B12R1.252 CN(C)C/C=C/C1=CC=CC=C1 S933392 [1,0,0,0,0,1|0,0,1]=3 275 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 PH007995 [1,0,0,0,0,1|2,0,0]=4 276 B12R1.252 [SiH](C)(C)CCCC1=CC=CC=C1 S829870 [1,0,0,0,0,1|1,0,0]=3 277 B14R1.423 CC(=O)OC[C@@H](C)CC1=CC=CC=C1 T287105 [0,0,0,0,0,2|2,0,0]=4 278 B14R1.423 CC(C)NCC(O)CC1=CC=CC=C1 PH013395 [0,0,0,0,0,2|2,0,0]=4 279 B14R1.423 CC(CC1=CC=CC=C1)/N=C/N(C)C PH012924 [0,0,0,0,0,2|0,0,0]=2 280 B14R1.818 CC(=O)OC(C)CCC1=CC=CC=C1 S460575 [0,0,0,0,0,2|2,0,0]=4 281 B14R1.818 CC(=O)OC(C)COC1=CC=CC=C1 PH006975 [0,0,0,0,0,2|2,0,0]=4