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(CC1=CC=CC=C1)C(=O)N S101400 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O EME00360 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.43 CC(SC1=NC=CC=N1)C(=O)O EME00361 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N PH015234 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.43 CN(CC1=CC=CC=C1)C(=O)Cl PH008817 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N CBR01175 [0,0,0,0,0,0|3,1,0]=4 10 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O CDS020095 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CDS020090 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [0,0,0,0,0,0|0,0,0]=0 13 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Br S808768 [0,0,0,0,0,0|1,0,2]=3 14 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl PH009328 [0,0,0,0,0,0|1,0,2]=3 15 B12R1.43 O=C(O)/C(=C/C1=CC=CN=C1)/F CDS021801 [0,0,0,0,0,0|2,0,2]=4 16 B12R1.43 O=C(O)/C(=C\C1=CC=CC=C1)/Cl PH004529 [0,0,0,0,0,0|1,0,2]=3 17 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [0,0,0,0,0,0|1,0,0]=1 18 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 CDS008837 [0,0,0,0,0,0|2,0,0]=2 19 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [0,0,0,0,0,0|1,0,1]=2 20 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [1,0,0,0,0,0|1,0,1]=3 22 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [1,0,0,0,0,0|1,0,1]=3 23 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [1,0,0,0,0,0|0,0,3]=4 25 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.91 CN(O)CCC1=CC=NC=C1 PH008939 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.91 N=C(N)CCC1=NC=CC=C1 PH015393 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [1,0,0,0,0,0|2,1,0]=4 44 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [1,0,0,0,0,0|2,1,0]=4 45 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [1,0,0,0,0,0|0,0,2]=3 47 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [1,0,0,0,0,0|1,0,2]=4 48 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [1,0,0,0,0,0|1,0,2]=4 49 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [1,0,0,0,0,0|1,0,0]=2 50 B11R1.91 O=C(O)CCC1=NC=CC=N1 S217417 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.91 O=C(O)CCC1=NC=CN=C1 CDS022931 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [1,0,0,0,0,0|0,0,3]=4 55 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [1,0,0,0,0,0|0,0,3]=4 56 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [1,0,0,0,0,0|0,0,3]=4 57 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [1,0,0,0,0,0|1,0,1]=3 58 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [1,0,0,0,0,0|1,0,1]=3 59 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [1,0,0,0,0,0|2,0,0]=3 60 B13R1.133 C/C(=C\C1=CC=C(C=C1)Cl)/C(=O)O S808687 [0,1,0,0,0,0|1,0,2]=4 61 B13R1.133 CC(=O)C(Cl)CC1=CC=C(C=C1)Cl S567140 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.133 CC(CC1=CC=C(C=C1)O)C(=O)O PH008203 [0,1,0,0,0,0|1,0,0]=2 63 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O CDS005545 [0,1,0,0,0,0|2,0,0]=3 64 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O R750298 [0,1,0,0,0,0|2,0,0]=3 65 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O PH009975 [0,1,0,0,0,0|2,0,0]=3 66 B13R1.133 CC1=CC=C(C=C1)/C=C(/C)\C(=O)O S280100 [0,1,0,0,0,0|1,0,2]=4 67 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O R245267 [0,1,0,0,0,0|1,0,0]=2 68 B13R1.133 CC1=CC=C(C=C1)CC(N)C(=O)O PH011203 [0,1,0,0,0,0|0,0,0]=1 69 B13R1.133 C[C@H](CC1=CC=C(C=C1)N)C(=O)O PH001854 [0,1,0,0,0,0|1,0,0]=2 70 B13R1.133 NC(CC1=CC=[N+](C=C1)[O-])C(=O)O PH003272 [0,1,0,0,0,0|1,0,0]=2 71 B13R1.133 NC1=CC=C(C=C1)NC(=O)C(=O)O PH010859 [0,1,0,0,0,0|2,0,1]=4 72 B13R1.135 COC(=O)C(C)OC1=CC=CC=C1 JRD1262 [0,1,0,0,0,0|2,0,0]=3 73 B13R1.135 COC(=O)C(C)SC1=CC=CC=C1 S620203 [0,1,0,0,0,0|2,0,0]=3 74 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 PH011323 [0,1,0,0,0,0|0,0,0]=1 75 B13R1.135 COC(=O)C(N)CC1=NC=CC=C1 PH019122 [0,1,0,0,0,0|1,0,0]=2 76 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 PH000793 [0,1,0,0,0,0|1,0,0]=2 77 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 PH009923 [0,1,0,0,0,0|0,0,0]=1 78 B13R1.135 COC(=O)[C@H](N)CC1=CC=CN=C1 CDS006818 [0,1,0,0,0,0|1,0,0]=2 79 B13R1.148 C/C(=C/C1=CC=CC(=C1)N)/C(=O)O PH008849 [0,1,0,0,0,0|1,0,2]=4 80 B13R1.148 C/C(=C\C1=CC(=CC=C1)Br)/C(=O)O L129372 [0,1,0,0,0,0|1,0,2]=4 81 B13R1.148 C/C(=C\C1=CC(=CC=C1)Cl)/C(=O)O R151122 [0,1,0,0,0,0|1,0,2]=4 82 B13R1.148 CC(=O)C(Cl)CC1=CC=CC(=C1)Cl S567183 [0,1,0,0,0,0|2,0,0]=3 83 B13R1.148 CC(OC1=CC=CC(=C1)F)C(=O)O CDS002341 [0,1,0,0,0,0|2,0,0]=3 84 B13R1.148 CC1=CC(=CC=C1)/C=C(\C)/C(=O)O R151041 [0,1,0,0,0,0|1,0,2]=4 85 B13R1.148 O=C(O)/C(=C/C1=CC(=CC=C1)O)/S PH000774 [0,1,0,0,0,0|1,0,2]=4 86 B13R1.148 O=C(O)/C(=C/C1=CC=CC(=C1)Cl)/S S762601 [0,1,0,0,0,0|1,0,2]=4 87 B13R1.148 O=C(O)C(=S)CC1=CC(=CC=C1)O R627119 [0,1,0,0,0,0|1,0,1]=3 88 B13R1.148 O=C(O)C(Br)CC1=CC(=CC=C1)Cl L129844 [0,1,0,0,0,0|1,0,0]=2 89 B13R1.152 CC(=O)C(Br)C(Br)C1=CC=CC=C1 S366706 [0,1,0,0,0,0|2,0,0]=3 90 B13R1.152 CC(C(=O)O)C(C)C1=CC=CC=C1 S697214 [0,1,0,0,0,0|1,0,0]=2 91 B13R1.152 CC(C(O)C1=CC=CC=C1)[N+](=O)[O-] S919144 [0,1,0,0,0,0|2,0,1]=4 92 B13R1.152 C[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 T292249 [0,1,0,0,0,0|1,0,0]=2 93 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 S914851 [0,1,0,0,0,0|0,0,0]=1 94 B13R1.152 NC(C(=O)O)C(O)C1=CN=CC=C1 S914975 [0,1,0,0,0,0|1,0,0]=2 95 B13R1.152 O=C(Cl)C(Br)C(Br)C1=CC=CC=C1 S675954 [0,1,0,0,0,0|2,0,0]=3 96 B13R1.152 O=C(O)/C(=C(/Br)\C1=CC=CC=C1)/Br S731374 [0,1,0,0,0,0|1,0,2]=4 97 B13R1.152 O=C(O)C(Br)C(Br)C1=CC=CC=C1 S764841 [0,1,0,0,0,0|1,0,0]=2 98 B13R1.152 O=C(O)C(Cl)C(Cl)C1=CC=CC=C1 PH009327 [0,1,0,0,0,0|1,0,0]=2 99 B13R1.202 C/C(=C\C1=C(C=CC=C1)Cl)/C(=O)O S808695 [0,1,0,0,0,0|1,0,2]=4 100 B13R1.202 CC(=O)C(Cl)CC1=CC=CC=C1Cl S567191 [0,1,0,0,0,0|2,0,0]=3 101 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)O R425818 [0,1,0,0,0,0|2,0,0]=3 102 B13R1.202 CC(OC1=CC=CC=C1F)C(=O)O CDS011686 [0,1,0,0,0,0|2,0,0]=3 103 B13R1.202 CC1=C(C=CC=C1)CC(N)C(=O)O R410985 [0,1,0,0,0,0|0,0,0]=1 104 B13R1.202 CC1=CC=CC=C1OC(C)C(=O)O PH010162 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.202 NC(CC1=CC=CC=C1Cl)C(=O)O R262129 [0,1,0,0,0,0|0,0,0]=1 106 B13R1.353 C=C(CC1=CC=CC=C1)S(=O)(=O)O T164003 [0,1,0,0,0,0|2,0,1]=4 107 B13R1.353 NC(CC1=CC=CC=C1)C(F)(F)F R269387 [0,1,0,0,0,0|2,0,1]=4 108 B13R1.418 CC/C(=C\C1=CC=CC=C1)/C(=O)O S808326 [0,1,0,0,0,0|1,0,2]=4 109 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)N PH008852 [0,1,0,0,0,0|2,0,0]=3 110 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O PH010776 [0,1,0,0,0,0|2,0,0]=3 111 B13R1.418 O=C(O)/C(=C/C1=CC=CC=C1)/CBr S808709 [0,1,0,0,0,0|1,0,2]=4 112 B13R1.1073 CC(=O)C(C)(Cl)CC1=CC=CC=C1 S567248 [0,1,0,0,0,0|2,0,0]=3 113 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)N PH007307 [0,1,0,0,0,0|2,0,0]=3 114 B13R1.1073 CC(C)(NC1=CC=CC=C1)P(=O)O PH009542 [0,1,0,0,0,0|3,0,0]=4 115 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)N PH001417 [0,1,0,0,0,0|3,0,0]=4 116 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O PH010089 [0,1,0,0,0,0|2,0,0]=3 117 B13R1.1073 CC(C)(SC1=CC=CC=C1)C(=O)O OTV000153 [0,1,0,0,0,0|2,0,0]=3 118 B13R1.1073 CC(O)C(C)(C)CC1=CC=CC=C1 S734535 [0,1,0,0,0,0|2,0,1]=4 119 B11R0.163 C=CCOC(=O)C[C@H](N)C(=O)O PH008818 [0,0,1,0,0,0|2,0,1]=4 120 B13R2.359 CC1CC2=C(S1(=O)=O)C=CC=C2 S100218 [0,0,0,1,0,0|2,0,1]=4 121 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [0,0,0,1,0,0|1,0,2]=4 122 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [0,0,0,1,0,0|2,0,0]=3 123 B13R2.369 CC1CC2=CC=CC=C2OC1=O T217115 [0,0,0,1,0,0|1,0,0]=2 124 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O R227021 [0,0,0,1,0,0|3,0,0]=4 125 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O JRD0784 [0,0,0,1,0,0|3,0,0]=4 126 B13R2.369 CC1SC2=CC=CC=C2NC1=O JRD0961 [0,0,0,1,0,0|3,0,0]=4 127 B13R2.369 N=C1NC2=CC=CC=C2OC1=O T319554 [0,0,0,1,0,0|1,0,2]=4 128 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl PH009408 [0,0,0,1,0,0|2,0,1]=4 129 B13R2.423 O=C(O)C1CC1C2=CC=CC=N2 CDS022741 [0,0,0,1,0,0|2,0,0]=3 130 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 S354562 [0,0,0,1,0,0|1,0,1]=3 131 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 CDS009698 [0,0,0,1,0,0|1,0,2]=4 132 B13R2.435 O=C(O)C1OC2=C(O1)C=CC=C2 PH010404 [0,0,0,1,0,0|2,0,0]=3 133 B11R1.35 CC(CN1C=CC=N1)C(=O)O CBR00373 [0,0,0,0,1,0|3,0,0]=4 134 B11R1.35 NC(CC1=CNC=N1)C(=O)O S580945 [0,0,0,0,1,0|2,0,0]=3 135 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O CDS005041 [0,0,0,0,1,0|1,0,0]=2 136 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O CDS005165 [0,0,0,0,1,0|2,0,0]=3 137 B11R1.35 O=C(O)C(=S)CC1=CC=CO1 R787000 [0,0,0,0,1,0|2,0,1]=4 138 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,0,0,0,1,0|2,0,0]=3 139 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,0,0,0,1,0|3,0,0]=4 140 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,0,0,0,1,0|2,0,0]=3 141 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [0,0,0,0,1,0|2,0,1]=4 142 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [0,0,0,0,1,0|2,0,1]=4 143 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [0,0,0,0,1,0|2,0,1]=4 144 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [0,0,0,0,1,0|2,0,1]=4 145 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [0,0,0,0,1,0|2,0,1]=4 146 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [0,0,0,0,1,0|2,0,1]=4 147 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [0,0,0,0,1,0|2,0,1]=4 148 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [0,0,0,0,1,0|3,0,0]=4 149 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,0,0,0,1,0|1,0,0]=2 150 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,0,0,0,1,0|1,0,0]=2 151 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,0,0,0,1,0|1,0,0]=2 152 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [0,0,0,0,1,0|2,0,0]=3 153 B11R1.36 P(=O)([O-])C(O)C1=CC=CC=C1 S359920 [0,0,0,0,1,0|2,0,1]=4 154 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [0,0,0,0,1,0|2,0,1]=4 155 B13R1.348 CC(CC1=CC=CC=C1)NC(=S)N L259071 [0,0,0,0,0,1|2,1,0]=4 156 B13R1.348 CN(CC(=O)O)CC1=CC=CC=N1 CBR00611 [0,0,0,0,0,1|3,0,0]=4 157 B13R1.348 CN(CC(=O)O)CC1=CC=CN=C1 CBR00618 [0,0,0,0,0,1|3,0,0]=4 158 B13R1.348 CN(CC(=O)O)CC1=CC=NC=C1 CBR01218 [0,0,0,0,0,1|3,0,0]=4 159 B13R1.348 C[C@H](CC1=CC=CC=C1)NC(=O)N PH008163 [0,0,0,0,0,1|2,0,0]=3 160 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 T332364 [0,0,0,0,0,1|2,0,1]=4 161 B13R1.351 C/C(=N\NC1=CC=CC=C1)/C(=O)O R260630 [0,0,0,0,0,1|2,0,1]=4 162 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 PH009541 [0,0,0,0,0,1|2,0,1]=4 163 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O PH010131 [0,0,0,0,0,1|1,0,0]=2 164 B13R1.351 C[C@H](SCC1=CC=CC=C1)C(=O)O PH017935 [0,0,0,0,0,1|1,0,0]=2 165 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 CDS007841 [0,0,0,0,0,1|1,0,1]=3 166 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [2,0,0,0,0,0|1,0,0]=3 167 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [2,0,0,0,0,0|2,0,0]=4 170 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [2,0,0,0,0,0|1,0,1]=4 171 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [2,0,0,0,0,0|1,0,1]=4 172 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [2,0,0,0,0,0|1,0,1]=4 173 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [2,0,0,0,0,0|1,0,1]=4 174 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [2,0,0,0,0,0|1,0,1]=4 175 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [2,0,0,0,0,0|1,0,1]=4 176 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [2,0,0,0,0,0|2,0,0]=4 177 B12R1.32 C=CCC(O)CC1=CC=CC=C1 PH010446 [1,1,0,0,0,0|2,0,0]=4 178 B12R1.32 C=CCN(N)CC1=CC=CC=C1 PH001229 [1,1,0,0,0,0|2,0,0]=4 179 B12R1.32 O=CNC(=O)CC1=CC=CC=C1 S909793 [1,1,0,0,0,0|1,0,1]=4 180 B12R1.34 NC(CO)C(Cl)C1=CC=CC=C1 PH013300 [1,1,0,0,0,0|0,0,1]=3 181 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH011988 [1,1,0,0,0,0|0,0,1]=3 182 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH012669 [1,1,0,0,0,0|0,0,1]=3 183 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH018696 [1,1,0,0,0,0|0,0,1]=3 184 B12R1.49 N/C(=N/O)/CC1=CC=C(C=C1)Br PH014888 [1,1,0,0,0,0|1,0,1]=4 185 B12R1.49 NC(CC1=CC=C(C=C1)O)N=O PH016710 [1,1,0,0,0,0|1,0,0]=3 186 B12R1.50 CC1=CC(=CC=C1)C/C(=N/O)/N BOG00133 [1,1,0,0,0,0|1,0,1]=4 187 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 PH008400 [1,1,0,0,0,0|0,0,1]=3 188 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 R425613 [1,1,0,0,0,0|1,0,1]=4 189 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Br VBP00216 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.21 CC1=CC=C(C=C1)OCC(=O)Cl OTV000056 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [1,1,0,0,0,0|1,0,0]=3 194 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)N S343307 [1,1,0,0,0,0|2,0,0]=4 195 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)O OTV000678 [1,1,0,0,0,0|1,0,0]=3 196 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [1,1,0,0,0,0|1,0,0]=3 197 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [1,1,0,0,0,0|2,0,0]=4 198 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [1,1,0,0,0,0|2,0,0]=4 199 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O CDS000175 [1,1,0,0,0,0|0,0,2]=4 201 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [1,1,0,0,0,0|1,0,0]=3 202 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [1,1,0,0,0,0|1,0,0]=3 203 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [1,1,0,0,0,0|1,0,0]=3 204 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 PH012682 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [1,1,0,0,0,0|1,0,0]=3 207 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CBR01981 [1,1,0,0,0,0|2,0,0]=4 209 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [1,1,0,0,0,0|1,0,0]=3 210 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [1,1,0,0,0,0|0,0,2]=4 211 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [1,1,0,0,0,0|0,0,0]=2 212 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.125 CC1=C(C=CC=C1)NCC(=O)O R871230 [1,1,0,0,0,0|1,0,0]=3 214 B12R1.125 CC1=CC=CC=C1OCC(=O)N R715522 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.125 CC1=CC=CC=C1SCC(=O)O R363820 [1,1,0,0,0,0|1,0,0]=3 216 B12R1.125 CC1=CC=CC=[N+]1CCC(=O)N S343285 [1,1,0,0,0,0|2,0,0]=4 217 B12R1.125 N=C(N)CCC1=C(C=CC=C1)Cl PH015728 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [1,1,0,0,0,0|2,0,0]=4 219 B12R1.125 NC(=O)COC1=C(C=CC=C1)O CDS020826 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.125 NC1=C(C=CC=C1)/C=C/C(=O)O PH011123 [1,1,0,0,0,0|0,0,2]=4 221 B12R1.125 O=C(Cl)COC1=C(C=CC=C1)Cl OTV000735 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl PH010874 [1,1,0,0,0,0|0,0,2]=4 223 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [1,1,0,0,0,0|0,0,0]=2 224 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl R871222 [1,1,0,0,0,0|1,0,0]=3 225 B12R1.125 O=C(O)CNC1=C(C=CC=C1)F L447560 [1,1,0,0,0,0|1,0,0]=3 226 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl CDS001276 [1,1,0,0,0,0|1,0,0]=3 227 B12R1.226 CC(=O)COC1=CC=CC(=C1)Br OTV000350 [1,1,0,0,0,0|2,0,0]=4 228 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [1,1,0,0,0,0|1,0,0]=3 229 B12R1.226 CC1=C[N+](=CC=C1)CCC(=O)N S343293 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [1,1,0,0,0,0|0,0,0]=2 231 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [1,1,0,0,0,0|0,0,0]=2 232 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [1,1,0,0,0,0|1,0,0]=3 233 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 L496227 [1,1,0,0,0,0|1,0,0]=3 234 B12R1.891 O=S(=O)(O)CCC1=CC=CC=N1 PH010890 [1,1,0,0,0,0|2,0,0]=4 235 B12R1.104 N[C@@H](CC1=CNC(=N1)S)C(=O)O CDS006825 [0,1,0,0,1,0|2,0,0]=4 236 B12R1.108 COC(=O)[C@H](N)CC1=CNC=N1 CDS003872 [0,1,0,0,1,0|2,0,0]=4 237 B12R1.120 [C@@H](N)(C(=O)O)C(O)C1=CC=CS1 S445967 [0,1,0,0,1,0|1,0,0]=3 238 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [0,1,0,0,1,0|1,0,0]=3 239 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [0,1,0,0,1,0|0,0,0]=2 240 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [0,1,0,0,1,0|0,0,0]=2 241 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [0,1,0,0,1,0|1,0,0]=3 242 B12R1.124 CC(C(=O)O)C1=CC=CC=C1F CDS023363 [0,1,0,0,1,0|1,0,0]=3 243 B12R1.124 CC1=CC=CC=C1C(C)C(=O)O S376779 [0,1,0,0,1,0|1,0,0]=3 244 B12R1.225 O=C(O)C(O)C1=CC=CC(=C1)Br PH011789 [0,1,0,0,1,0|1,0,0]=3 245 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S306045 [0,1,0,0,1,0|2,0,0]=4 246 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S495409 [0,1,0,0,1,0|2,0,0]=4 247 B12R1.253 CC(C)(C(=O)N)C1=CC=CC=C1 PH011015 [0,1,0,0,1,0|2,0,0]=4 248 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CDS000391 [0,1,0,0,1,0|1,0,0]=3 249 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 S116629 [0,1,0,0,1,0|0,0,0]=2 250 B12R1.253 CC(O)(C(=O)N)C1=CC=CC=C1 S888540 [0,1,0,0,1,0|2,0,0]=4 251 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 S315958 [0,1,0,0,1,0|1,0,0]=3 252 B12R1.478 CCC(C(=O)N)C1=CC=CC=C1 S364401 [0,1,0,0,1,0|2,0,0]=4 253 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S401900 [0,1,0,0,1,0|1,0,1]=4 254 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S679364 [0,1,0,0,1,0|1,0,1]=4 255 B12R1.478 CNC(C(=O)C)C1=CC=CC=C1 PH012470 [0,1,0,0,1,0|1,0,0]=3 256 B12R1.478 CNC(C(=O)O)C1=CC=CN=C1 PH018220 [0,1,0,0,1,0|1,0,0]=3 257 B12R1.478 COC(C(=O)N)C1=CC=CC=C1 S937428 [0,1,0,0,1,0|2,0,0]=4 258 B12R1.478 COC(C(=O)[O-])C1=CC=CC=C1 S564001 [0,1,0,0,1,0|1,0,1]=4 259 B12R1.478 O=C(O)/C(=N\O)/C1=CC=CC=C1 S332178 [0,1,0,0,1,0|0,0,2]=4 260 B12R1.478 [C@@H](OC)(C(=O)Cl)C1=CC=CC=C1 T306541 [0,1,0,0,1,0|2,0,0]=4 261 B12R1.564 NC(C1=CC=CC=C1)P(=O)(O)O PH011415 [0,1,0,0,1,0|1,0,0]=3 262 B12R1.564 NC(C1=CC=CC=C1)S(=O)(=O)O PH008647 [0,1,0,0,1,0|1,0,0]=3 263 B12R1.564 O=P(O)(O)C(O)C1=CC=CC=C1 PH010920 [0,1,0,0,1,0|2,0,0]=4 264 B14R1.417 CC(=O)OC(C)C(C)C1=CC=CC=C1 S495166 [0,1,0,0,0,1|2,0,0]=4 265 B14R1.417 O=C(O)CC(Br)C(=O)C1=CC=CC=C1 PH005112 [0,1,0,0,0,1|1,0,1]=4 266 B14R1.698 CC(CC(=O)O)NC1=CC=C(C=C1)Cl R152048 [0,1,0,0,0,1|2,0,0]=4 267 B14R1.698 CC(CC(=O)O)SC1=CC=C(C=C1)Cl PH011455 [0,1,0,0,0,1|2,0,0]=4 268 B14R1.743 C[C@H](CC1=CC=CC=C1)NC(=O)CCl PH008164 [0,1,0,0,0,1|2,0,0]=4 269 B14R1.1485 CC(=O)NC(C)(C)CC1=CC=CC=C1 PH007623 [0,1,0,0,0,1|2,0,0]=4 270 B14R1.1485 CC(C)(CC(=O)O)SC1=CC=CC=C1 PH009204 [0,1,0,0,0,1|2,0,0]=4 271 B14R1.161 CC1=C(C=CC=C1)OCC(O)C(=O)O CBR00037 [0,1,0,0,0,1|1,0,0]=3 272 B14R1.161 CC1=CC=CC=C1SCC(N)C(=O)O PH009775 [0,1,0,0,0,1|0,0,0]=2 273 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O S560014 [0,1,0,0,0,1|1,0,1]=4 274 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O S802816 [0,1,0,0,0,1|0,0,0]=2 275 B14R1.415 [C@H](C)(NC(=O)C1=CC=CC=C1)C(=O)O S451797 [0,1,0,0,0,1|1,0,1]=4 276 B14R1.415 [C@H](C)(NC(=O)C1=CC=CC=C1)C(=O)O S455067 [0,1,0,0,0,1|1,0,1]=4 277 B14R1.679 CC(CNC1=CC=C(C=C1)Cl)C(=O)O PH010346 [0,1,0,0,0,1|1,0,0]=3 278 B14R1.679 CC1=CC=C(C=C1)CCC(O)C(=O)O PH008648 [0,1,0,0,0,1|1,0,0]=3 279 B14R1.756 COC(=O)C(C)CSC1=CC=CC=C1 S614033 [0,1,0,0,0,1|1,0,0]=3 280 B14R1.756 COC(=O)C(N)CCC1=CC=CC=C1 CDS006089 [0,1,0,0,0,1|0,0,0]=2 281 B14R1.756 COC(=O)C(O)CCC1=CC=CC=C1 PH000808 [0,1,0,0,0,1|1,0,0]=3 282 B14R1.756 COC(=O)[C@H](N)CCC1=CC=CC=C1 PH019536 [0,1,0,0,0,1|0,0,0]=2 283 B14R1.4194 [C@@H](CO)(NCC1=CC=CC=C1)C(=O)O S294500 [0,1,0,0,0,1|1,0,0]=3 284 B14R1.4194 [C@@H](CO)(NCC1=CC=CC=C1)C(=O)O S777064 [0,1,0,0,0,1|1,0,0]=3 285 B14R1.6395 CC(C)(CSC1=CC=CC=C1)C(=O)O PH004294 [0,1,0,0,0,1|1,0,0]=3 286 B14R1.3 C(=O)C1=CC=C(C=C1)OC(C)C(=O)O CBR00348 [0,2,0,0,0,0|2,0,0]=4 287 B14R1.3 CCC1=CC=C(C=C1)OC(C)C(=O)O TMT00016 [0,2,0,0,0,0|2,0,0]=4 288 B14R1.3 COC1=CC=C(C=C1)CC(Br)C(=O)O L129216 [0,2,0,0,0,0|1,0,0]=3 289 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)Br JRD1265 [0,2,0,0,0,0|2,0,0]=4 290 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)C JRD1263 [0,2,0,0,0,0|2,0,0]=4 291 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)Cl JRD1264 [0,2,0,0,0,0|2,0,0]=4 292 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)F EME00163 [0,2,0,0,0,0|2,0,0]=4 293 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)Cl PH016711 [0,2,0,0,0,0|0,0,0]=2 294 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)O S457787 [0,2,0,0,0,0|0,0,0]=2 295 B14R1.536 COC(CC1=CC=C(C=C1)Br)C(=O)O PH018906 [0,2,0,0,0,0|1,0,0]=3 296 B14R1.536 COC(CC1=CC=C(C=C1)I)C(=O)O PH016333 [0,2,0,0,0,0|1,0,0]=3 297 B14R1.6049 CC(OC1=CC=C(C=C1Cl)F)C(=O)O CDS005564 [0,2,0,0,0,0|2,0,0]=4 298 B14R1.6049 CC1=CC=C(C(=C1)C)C[C@@H](N)C(=O)O CDS005520 [0,2,0,0,0,0|0,0,0]=2 299 B14R1.6049 CC1=CC=C(C(=C1)O)CC(N)C(=O)O S749745 [0,2,0,0,0,0|0,0,0]=2 300 B14R1.6049 NC(CC1=CC=C(C=C1Cl)Cl)C(=O)O PH010886 [0,2,0,0,0,0|0,0,0]=2 301 B14R1.7626 CC(=O)C(C)(Cl)CC1=CC=C(C=C1)Cl S567124 [0,2,0,0,0,0|2,0,0]=4 302 B14R1.7626 CC(C)(OC1=CC=C(C=C1)F)C(=O)O PH010243 [0,2,0,0,0,0|2,0,0]=4 303 B14R1.7626 CC(C)(OC1=CC=C(C=C1)N)C(=O)O CDS017204 [0,2,0,0,0,0|2,0,0]=4 304 B14R1.7626 CC(N)(CC1=CC=C(C=C1)O)C(=O)O S783218 [0,2,0,0,0,0|0,0,0]=2 305 B14R1.7626 CC1=CC=C(C=C1)NC(C)(C)C(=O)O CBR01170 [0,2,0,0,0,0|2,0,0]=4 306 B14R1.7626 CC1=CC=C(C=C1)OC(C)(C)C(=O)O CDS005609 [0,2,0,0,0,0|2,0,0]=4 307 B14R1.60 CCOC(=O)C(C)SC1=CC=CC=C1 S799912 [0,2,0,0,0,0|2,0,0]=4 308 B14R1.60 CCOC(=O)C(N)CC1=CC=NC=C1 CDS020927 [0,2,0,0,0,0|1,0,0]=3 309 B14R1.85 COC(=O)C(Br)C(Br)C1=CC=CC=C1 PH000383 [0,2,0,0,0,0|1,0,0]=3 310 B14R1.135 COC(=O)[C@H](N)CC1=CC(=CC=C1)F CDS020830 [0,2,0,0,0,0|0,0,0]=2 311 B14R1.1007 COC(=O)C(Br)CC1=C(C=CC=C1)F OTV000774 [0,2,0,0,0,0|1,0,0]=3 312 B14R1.1031 [C-]#[N+]C(CC1=CC=CC=C1)C(=O)OC PH014919 [0,2,0,0,0,0|0,0,1]=3 313 B14R1.153 CC1=C(C(=CC=C1)CC(N)C(=O)O)O S749753 [0,2,0,0,0,0|0,0,0]=2 314 B14R1.542 CCC(CC1=CC(=CC=C1)O)C(=O)O R648345 [0,2,0,0,0,0|1,0,0]=3 315 B14R1.4257 CC1=CC(=CC(=C1)OC(C)C(=O)O)C CDS005565 [0,2,0,0,0,0|2,0,0]=4 316 B14R1.4404 CC(C)(CC1=CC(=CC=C1)F)C(=O)O PH017258 [0,2,0,0,0,0|1,0,0]=3 317 B14R1.4404 CC(C)(OC1=CC=CC(=C1)Cl)C(=O)O CDS005607 [0,2,0,0,0,0|2,0,0]=4 318 B14R1.4474 CC(OC1=CC(=CC=C1Cl)Cl)C(=O)O S345520 [0,2,0,0,0,0|2,0,0]=4 319 B14R1.4474 CC1=CC=C(C(=C1)CC(N)C(=O)O)O S749664 [0,2,0,0,0,0|0,0,0]=2 320 B14R1.243 NC1=CC=CC=C1C(Br)C(Br)C(=O)O S762032 [0,2,0,0,0,0|1,0,0]=3 321 B14R1.550 N#CC(CC1=CC=CC=C1Cl)C(=O)O S893331 [0,2,0,0,0,0|0,0,1]=3 322 B14R1.3135 COC1=C(C=CC=C1)CC(=S)C(=O)O R627100 [0,2,0,0,0,0|1,0,1]=4 323 B14R1.3135 COC1=C(C=CC=C1)C[C@H](N)C(=O)O BBO000410 [0,2,0,0,0,0|0,0,0]=2 324 B14R1.3135 COC1=CC=CC=C1CC(C)C(=O)O PH010638 [0,2,0,0,0,0|1,0,0]=3 325 B14R1.980 C(=O)NC(CC1=CC=CC=C1)C(=O)O S620750 [0,2,0,0,0,0|0,0,0]=2 326 B14R1.980 C=CCC(CC1=CC=CC=C1)C(=O)N S357359 [0,2,0,0,0,0|2,0,0]=4 327 B14R1.4513 CC(=O)C(CC1=CC=CC=C1)C(=O)C CBR02262 [0,2,0,0,0,0|2,0,0]=4 328 B14R1.4513 NC(=O)C(CC1=CC=CC=C1)C(=O)N S624616 [0,2,0,0,0,0|1,0,0]=3 329 B14R1.4513 NC(=O)C(CC1=CC=CC=C1)C(=O)O T156833 [0,2,0,0,0,0|0,0,0]=2 330 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)N S12689 [0,2,0,0,0,0|1,0,1]=4 331 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)O S116548 [0,2,0,0,0,0|0,0,1]=3 332 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)O S120383 [0,2,0,0,0,0|0,0,1]=3 333 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)O S316059 [0,2,0,0,0,0|0,0,1]=3 334 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)O S490547 [0,2,0,0,0,0|0,0,1]=3 335 B12R2.18 CN1CC2=C(C1=O)C=CC=C2 S701564 [1,0,0,1,0,0|2,0,0]=4 336 B12R2.24 NC1COC2=CC=CC=C2C1 CBR01531 [1,0,0,1,0,0|0,0,1]=3 337 B12R2.24 NC1COC2=CC=CC=C2C1 CDS007242 [1,0,0,1,0,0|0,0,1]=3 338 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 PH006841 [1,0,0,1,0,0|1,0,1]=4 339 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 PH000320 [0,0,0,1,0,1|1,0,0]=3 340 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 PH007913 [0,0,0,1,0,1|2,0,0]=4 341 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 PH000361 [0,0,0,1,0,1|1,0,0]=3 342 B14R2.768 O=C(O)CC1=CC2=C(N1)C=CC=C2 CDS021628 [0,0,0,1,0,1|0,0,2]=4 343 B14R2.768 O=C(O)CC1CC2=C(C1)C=CC=C2 PH011454 [0,0,0,1,0,1|1,0,0]=3 344 B14R2.768 O=C(O)CN1CC2=CC=CC=C2C1 T327409 [0,0,0,1,0,1|2,0,0]=4 345 B14R2.790 CC(=O)NC1CC1C2=CC=CC=C2 T199419 [0,0,0,1,0,1|2,0,0]=4 346 B14R2.260 CC1CN(NC1=O)C2=CC=CC=C2 T308218 [0,0,0,1,0,1|2,0,0]=4 347 B14R2.781 CC(=O)C1COC2=CC=CC=C2O1 CBR01242 [0,0,0,1,0,1|2,0,0]=4 348 B14R2.781 NC(=O)C1COC2=CC=CC=C2O1 PH011054 [0,0,0,1,0,1|2,0,0]=4 349 B14R2.781 O=C(O)C1C=CC2=C(C1)C=CC=C2 L168726 [0,0,0,1,0,1|1,0,1]=4 350 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 CDS005312 [0,0,0,1,0,1|1,0,0]=3 351 B14R2.781 O=C(O)C1CCC2=C(N1)C=CC=C2 CDS021780 [0,0,0,1,0,1|0,0,0]=2 352 B14R2.781 O=C(O)C1CCC2=C(O1)C=CC=C2 CDS008154 [0,0,0,1,0,1|1,0,0]=3 353 B14R2.781 O=C(O)[C@@H]1CCC2=CC=CC=C2O1 PH017369 [0,0,0,1,0,1|1,0,0]=3 354 B14R2.781 O=C(O)[C@H]1CCC2=CC=CC=C2O1 PH017370 [0,0,0,1,0,1|1,0,0]=3 355 B14R2.4529 CC1=CC=C2CC(CC2=C1)C(=O)O PH017368 [0,1,0,1,0,0|1,0,0]=3 356 B14R2.4529 CC1=CC=C2CC(SC2=C1)C(=O)O T326569 [0,1,0,1,0,0|1,0,0]=3 357 B14R2.4529 CC1=CC=C2NC(CC2=C1)C(=O)O CBR00777 [0,1,0,1,0,0|0,0,0]=2 358 B14R2.4529 NC1=CC=C2NC(=CC2=C1)C(=O)O CDS018503 [0,1,0,1,0,0|0,0,2]=4 359 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)Br CDS006283 [0,1,0,1,0,0|0,0,2]=4 360 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)Cl PH006850 [0,1,0,1,0,0|0,0,2]=4 361 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)O CDS005384 [0,1,0,1,0,0|0,0,2]=4 362 B14R2.4529 O=C(O)C1=NC2=CC(=CC=C2N1)F CDS022957 [0,1,0,1,0,0|1,0,1]=4 363 B14R2.4529 O=C(O)C1=NC2=CC=C(C=C2N1)F CDS022344 [0,1,0,1,0,0|1,0,1]=4 364 B14R2.4529 O=C(O)C1CC2=C(O1)C=CC(=C2)F CDS023496 [0,1,0,1,0,0|1,0,0]=3 365 B14R2.4529 O=C(O)C1CC2=CC(=CC=C2N1)Cl CDS021216 [0,1,0,1,0,0|0,0,0]=2 366 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 S134104 [0,1,0,1,0,0|2,0,0]=4 367 B14R2.958 CNC(=O)C1CC1C2=CC=CC=C2 T199354 [0,1,0,1,0,0|2,0,0]=4 368 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 S353248 [0,1,0,1,0,0|1,0,0]=3 369 B14R2.1128 CNC1CC2=CC=CC=C2OC1C PH013131 [0,1,0,1,0,0|1,0,1]=4 370 B14R2.4514 C=C1C(=O)OCC1C2=CC=CC=C2 T262382 [0,1,0,1,0,0|1,0,1]=4 371 B14R2.4476 O=C(O)C1CC1C2=CC=CC(=C2)F CDS023747 [0,1,0,1,0,0|1,0,0]=3 372 B14R2.7969 CC1=CC=CC2=C1C=C(N2)C(=O)O CDS008967 [0,1,0,1,0,0|0,0,2]=4 373 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)O CDS007536 [0,1,0,1,0,0|0,0,2]=4 374 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CC=C2Cl PH000388 [0,1,0,1,0,0|0,0,2]=4 375 B14R2.7969 O=C(O)C1=CC2=CC=CC(=C2N1)Cl CDS002296 [0,1,0,1,0,0|0,0,2]=4 376 B14R2.450 CC1=C(NC2=CC=CC=C12)C(=O)O CDS002324 [0,1,0,1,0,0|0,0,2]=4 377 B14R2.450 N[C@H]1C2=CC=CC=C2C[C@H]1C(=O)O BBO000345 [0,1,0,1,0,0|0,0,0]=2 378 B14R2.639 CC1(OC2=CC=CC=C2OC1=O)C T319716 [0,1,0,1,0,0|2,0,0]=4 379 B14R2.5443 CC1=CC=CC=C1[C@H]2C[C@@H]2C(=O)O PH018831 [0,1,0,1,0,0|1,0,0]=3 380 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2F CDS023677 [0,1,0,1,0,0|1,0,0]=3 381 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [1,0,0,0,1,0|1,0,1]=4 382 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [1,0,0,0,1,0|0,0,1]=3 383 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [1,0,0,0,1,0|1,0,1]=4 384 B10R1.66 O=C(O)CCC1=CON=C1 CDS008176 [1,0,0,0,1,0|2,0,0]=4 385 B10R1.66 O=C(O)CCN1C=CC=N1 CBR00771 [1,0,0,0,1,0|2,0,0]=4 386 B10R1.66 O=C(O)CCN1C=CN=C1 CDS007822 [1,0,0,0,1,0|2,0,0]=4 387 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [1,0,0,0,0,1|1,0,0]=3 388 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [1,0,0,0,0,1|1,0,0]=3 389 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [1,0,0,0,0,1|1,0,0]=3 390 B12R1.252 CC(=O)OCCC1=NC=CC=C1 PH006794 [1,0,0,0,0,1|2,0,0]=4 391 B12R1.252 CC(=O)O[Hg]CC1=CC=CC=C1 S881120 [1,0,0,0,0,1|2,0,0]=4 392 B12R1.252 CC(O)CCCC1=CC=CC=C1 PH000677 [1,0,0,0,0,1|1,0,1]=4 393 B12R1.252 CC(O)CCSC1=CC=CC=C1 T233005 [1,0,0,0,0,1|1,0,1]=4 394 B12R1.252 CC(O)CNCC1=CC=CC=C1 PH009735 [1,0,0,0,0,1|1,0,1]=4 395 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [1,0,0,0,0,1|1,0,1]=4 396 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 PH007995 [1,0,0,0,0,1|1,0,1]=4 397 B12R1.252 N=C(N)NCCC1=CC=CC=C1 S370282 [1,0,0,0,0,1|2,0,0]=4 398 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [1,0,0,0,0,1|1,0,0]=3 399 B12R1.252 NC(=O)CSCC1=CC=CC=C1 S614386 [1,0,0,0,0,1|1,0,0]=3 400 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [1,0,0,0,0,1|1,0,0]=3 401 B12R1.252 NC(=S)NCCC1=CC=CC=C1 PH011268 [1,0,0,0,0,1|1,1,0]=4 402 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 PH000271 [1,0,0,0,0,1|1,0,0]=3 403 B12R1.252 O=C(O)CCNC1=CC=CC=C1 R155780 [1,0,0,0,0,1|0,0,0]=2 404 B12R1.252 O=C(O)CCSC1=CC=CC=C1 L305855 [1,0,0,0,0,1|0,0,0]=2 405 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 S949442 [1,0,0,0,0,1|0,0,0]=2 406 B12R1.252 O=C(O)CNCC1=NC=CC=C1 PH014769 [1,0,0,0,0,1|1,0,0]=3 407 B14R1.423 CC(=O)OC[C@@H](C)CC1=CC=CC=C1 T287105 [0,0,0,0,0,2|2,0,0]=4 408 B14R1.423 O=C(O)CCS(=O)CC1=CC=CC=C1 PH010240 [0,0,0,0,0,2|2,0,0]=4 409 B14R1.818 CC(=O)OC(C)CCC1=CC=CC=C1 S460575 [0,0,0,0,0,2|2,0,0]=4 410 B14R1.818 CC(=O)OC(C)COC1=CC=CC=C1 PH006975 [0,0,0,0,0,2|2,0,0]=4 411 B14R1.6449 CC(CNCC1=CC=CC=C1)C(=O)O PH010724 [0,0,0,0,0,2|1,0,0]=3 412 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O PH010500 [0,0,0,0,0,2|0,0,0]=2 413 B14R1.6449 NC(CCOC1=CC=CC=C1)C(=O)O PH012937 [0,0,0,0,0,2|0,0,0]=2 414 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O S635022 [0,0,0,0,0,2|0,0,0]=2 415 B14R1.6449 N[C@@H](C/C=C/C1=CC=CC=C1)C(=O)O CDS005069 [0,0,0,0,0,2|0,0,0]=2 416 B14R1.6449 N[C@@H](CSCC1=CC=NC=C1)C(=O)O PH009954 [0,0,0,0,0,2|1,0,0]=3 417 B14R1.6449 N[C@H](C/C=C/C1=CC=CC=C1)C(=O)O CDS005975 [0,0,0,0,0,2|0,0,0]=2