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|2,0,1]=3 4 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 PH011659 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [0,0,0,0,0,0|2,0,1]=3 8 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O EME00360 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 S889105 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 S579718 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.43 CN(C)C(=O)OC1=CC=CC=C1 S364436 [0,0,0,0,0,0|4,0,0]=4 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|3,0,0]=3 14 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N CBR01175 [0,0,0,0,0,0|3,1,0]=4 15 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O CDS020095 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CDS020090 [0,0,0,0,0,0|2,0,1]=3 17 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [0,0,0,0,0,0|1,0,1]=2 18 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Br S808768 [0,0,0,0,0,0|1,0,1]=2 19 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl PH009328 [0,0,0,0,0,0|1,0,1]=2 20 B12R1.43 O=C(O)/C(=C/C1=CC=CN=C1)/F CDS021801 [0,0,0,0,0,0|2,0,1]=3 21 B12R1.43 O=C(O)/C(=C\C1=CC=CC=C1)/Cl PH004529 [0,0,0,0,0,0|1,0,1]=2 22 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [0,0,0,0,0,0|1,0,1]=2 23 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 CDS008837 [0,0,0,0,0,0|1,0,2]=3 24 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [0,0,0,0,0,0|0,0,3]=3 25 B12R1.43 O=[N+]([O-])/C(=C/C1=CC=CC=C1)/Br PH008680 [0,0,0,0,0,0|2,0,2]=4 26 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [1,0,0,0,0,0|0,0,2]=3 40 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [1,0,0,0,0,0|2,1,0]=4 50 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [1,0,0,0,0,0|0,0,1]=2 52 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [1,0,0,0,0,0|1,0,1]=3 53 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [1,0,0,0,0,0|1,0,1]=3 54 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [1,0,0,0,0,0|1,0,1]=3 55 B11R1.91 O=C(O)CCC1=NC=CC=N1 S217417 [1,0,0,0,0,0|2,0,1]=4 56 B11R1.91 O=C(O)CCC1=NC=CN=C1 CDS022931 [1,0,0,0,0,0|2,0,1]=4 57 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [1,0,0,0,0,0|2,0,1]=4 58 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [1,0,0,0,0,0|2,0,1]=4 59 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [1,0,0,0,0,0|0,0,2]=3 60 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [1,0,0,0,0,0|0,0,2]=3 61 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [1,0,0,0,0,0|0,0,3]=4 62 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [1,0,0,0,0,0|1,0,2]=4 63 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [1,0,0,0,0,0|1,0,2]=4 64 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [1,0,0,0,0,0|2,0,0]=3 65 B13R1.133 C/C(=C\C1=CC=C(C=C1)Cl)/C(=O)O S808687 [0,1,0,0,0,0|1,0,1]=3 66 B13R1.133 CC(=O)C(Cl)CC1=CC=C(C=C1)Cl S567140 [0,1,0,0,0,0|2,0,1]=4 67 B13R1.133 CC(CC1=CC=C(C=C1)O)C(=O)O PH008203 [0,1,0,0,0,0|1,0,1]=3 68 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O CDS005545 [0,1,0,0,0,0|2,0,1]=4 69 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O R750298 [0,1,0,0,0,0|2,0,1]=4 70 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O PH009975 [0,1,0,0,0,0|2,0,1]=4 71 B13R1.133 CC1=CC=C(C=C1)/C=C(/C)\C(=O)O S280100 [0,1,0,0,0,0|1,0,1]=3 72 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O R245267 [0,1,0,0,0,0|1,0,1]=3 73 B13R1.133 CC1=CC=C(C=C1)CC(N)C(=O)O PH011203 [0,1,0,0,0,0|1,0,1]=3 74 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)Br CBR00435 [0,1,0,0,0,0|3,0,0]=4 75 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)O CDS020902 [0,1,0,0,0,0|3,0,0]=4 76 B13R1.133 C[C@H](CC1=CC=C(C=C1)N)C(=O)O PH001854 [0,1,0,0,0,0|1,0,1]=3 77 B13R1.133 NC(CC1=CC=[N+](C=C1)[O-])C(=O)O PH003272 [0,1,0,0,0,0|2,0,1]=4 78 B13R1.133 NC1=CC=C(C=C1)NC(=O)C(=O)O PH010859 [0,1,0,0,0,0|1,0,0]=2 79 B13R1.133 O=C(O)C(=O)NC1=NC=C(C=C1)Cl PHB00182 [0,1,0,0,0,0|2,0,0]=3 80 B13R1.135 COC(=O)C(C)OC1=CC=CC=C1 JRD1262 [0,1,0,0,0,0|2,0,1]=4 81 B13R1.135 COC(=O)C(C)SC1=CC=CC=C1 S620203 [0,1,0,0,0,0|2,0,1]=4 82 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 PH011323 [0,1,0,0,0,0|1,0,1]=3 83 B13R1.135 COC(=O)C(N)CC1=NC=CC=C1 PH019122 [0,1,0,0,0,0|2,0,1]=4 84 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 PH000793 [0,1,0,0,0,0|0,0,2]=3 85 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 PH009923 [0,1,0,0,0,0|1,0,1]=3 86 B13R1.135 COC(=O)[C@H](N)CC1=CC=CN=C1 CDS006818 [0,1,0,0,0,0|2,0,1]=4 87 B13R1.135 CON(C)C(=O)NC1=CC=CC=C1 S586269 [0,1,0,0,0,0|3,0,0]=4 88 B13R1.148 C/C(=C/C1=CC=CC(=C1)N)/C(=O)O PH008849 [0,1,0,0,0,0|1,0,1]=3 89 B13R1.148 C/C(=C\C1=CC(=CC=C1)Br)/C(=O)O L129372 [0,1,0,0,0,0|1,0,1]=3 90 B13R1.148 C/C(=C\C1=CC(=CC=C1)Cl)/C(=O)O R151122 [0,1,0,0,0,0|1,0,1]=3 91 B13R1.148 CC(=O)C(Cl)CC1=CC=CC(=C1)Cl S567183 [0,1,0,0,0,0|2,0,1]=4 92 B13R1.148 CC(OC1=CC=CC(=C1)F)C(=O)O CDS002341 [0,1,0,0,0,0|2,0,1]=4 93 B13R1.148 CC1=CC(=CC=C1)/C=C(\C)/C(=O)O R151041 [0,1,0,0,0,0|1,0,1]=3 94 B13R1.148 CN(C)C(=O)CC1=CC(=CC=C1)Cl PH008587 [0,1,0,0,0,0|3,0,0]=4 95 B13R1.148 O=C(O)/C(=C/C1=CC(=CC=C1)O)/S PH000774 [0,1,0,0,0,0|0,1,1]=3 96 B13R1.148 O=C(O)/C(=C/C1=CC=CC(=C1)Cl)/S S762601 [0,1,0,0,0,0|0,1,1]=3 97 B13R1.148 O=C(O)C(=S)CC1=CC(=CC=C1)O R627119 [0,1,0,0,0,0|0,1,0]=2 98 B13R1.148 O=C(O)C(Br)CC1=CC(=CC=C1)Cl L129844 [0,1,0,0,0,0|1,0,1]=3 99 B13R1.152 CC(=O)C(Br)C(Br)C1=CC=CC=C1 S366706 [0,1,0,0,0,0|2,0,1]=4 100 B13R1.152 CC(C(=O)O)C(C)C1=CC=CC=C1 S697214 [0,1,0,0,0,0|1,0,1]=3 101 B13R1.152 C[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 T292249 [0,1,0,0,0,0|1,0,1]=3 102 B13R1.152 ClC(=C(Cl)C(Cl)C1=CC=CC=C1)Cl S894583 [0,1,0,0,0,0|3,0,0]=4 103 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 S914851 [0,1,0,0,0,0|1,0,1]=3 104 B13R1.152 NC(C(=O)O)C(O)C1=CN=CC=C1 S914975 [0,1,0,0,0,0|2,0,1]=4 105 B13R1.152 O=C(Cl)C(Br)C(Br)C1=CC=CC=C1 S675954 [0,1,0,0,0,0|2,0,1]=4 106 B13R1.152 O=C(O)/C(=C(/Br)\C1=CC=CC=C1)/Br S731374 [0,1,0,0,0,0|1,0,1]=3 107 B13R1.152 O=C(O)C(Br)C(Br)C1=CC=CC=C1 S764841 [0,1,0,0,0,0|1,0,1]=3 108 B13R1.152 O=C(O)C(Cl)C(Cl)C1=CC=CC=C1 PH009327 [0,1,0,0,0,0|1,0,1]=3 109 B13R1.202 C/C(=C\C1=C(C=CC=C1)Cl)/C(=O)O S808695 [0,1,0,0,0,0|1,0,1]=3 110 B13R1.202 CC(=O)C(Cl)CC1=CC=CC=C1Cl S567191 [0,1,0,0,0,0|2,0,1]=4 111 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)O R425818 [0,1,0,0,0,0|2,0,1]=4 112 B13R1.202 CC(OC1=CC=CC=C1F)C(=O)O CDS011686 [0,1,0,0,0,0|2,0,1]=4 113 B13R1.202 CC1=C(C=CC=C1)CC(N)C(=O)O R410985 [0,1,0,0,0,0|1,0,1]=3 114 B13R1.202 CC1=CC=CC=C1OC(C)C(=O)O PH010162 [0,1,0,0,0,0|2,0,1]=4 115 B13R1.202 NC(CC1=CC=CC=C1Cl)C(=O)O R262129 [0,1,0,0,0,0|1,0,1]=3 116 B13R1.353 C=C(CC1=CC=CC=C1)S(=O)(=O)O T164003 [0,1,0,0,0,0|2,0,0]=3 117 B13R1.353 C=C(CC1=CC=CC=C1)S(=O)(=O)[O-] T163678 [0,1,0,0,0,0|2,0,1]=4 118 B13R1.353 O=C(NC1=CC=CC=C1)S(=O)(=O)[O-] S568902 [0,1,0,0,0,0|2,0,1]=4 119 B13R1.353 O=S(=O)(O)/C(=C/C1=CC=CC=C1)/Cl T164119 [0,1,0,0,0,0|2,0,1]=4 120 B13R1.418 CC/C(=C\C1=CC=CC=C1)/C(=O)O S808326 [0,1,0,0,0,0|1,0,1]=3 121 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)N PH008852 [0,1,0,0,0,0|2,0,1]=4 122 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O PH010776 [0,1,0,0,0,0|2,0,1]=4 123 B13R1.418 N#C/C(=C/C1=CC=CC=C1)/C(=O)N S929662 [0,1,0,0,0,0|2,0,1]=4 124 B13R1.418 N#C/C(=C\C1=CC=CN=C1)/C(=O)O R437735 [0,1,0,0,0,0|2,0,1]=4 125 B13R1.418 O=C(O)/C(=C/C1=CC=CC=C1)/CBr S808709 [0,1,0,0,0,0|1,0,1]=3 126 B13R1.1073 CC(=O)C(C)(Cl)CC1=CC=CC=C1 S567248 [0,1,0,0,0,0|2,0,1]=4 127 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)N PH007307 [0,1,0,0,0,0|2,0,1]=4 128 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O PH010089 [0,1,0,0,0,0|2,0,1]=4 129 B13R1.1073 CC(C)(SC1=CC=CC=C1)C(=O)O OTV000153 [0,1,0,0,0,0|2,0,1]=4 130 B13R2.359 CC1(C(=O)CC2=C1C=CC=C2)C PH008000 [0,0,0,1,0,0|2,0,1]=4 131 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [0,0,0,1,0,0|1,0,1]=3 132 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [0,0,0,1,0,0|2,0,1]=4 133 B13R2.369 CC1CC2=CC=CC=C2OC1=O T217115 [0,0,0,1,0,0|1,0,1]=3 134 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O JRD0784 [0,0,0,1,0,0|2,0,1]=4 135 B13R2.369 N=C1NC2=CC=CC=C2OC1=O T319554 [0,0,0,1,0,0|2,0,0]=3 136 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl PH009408 [0,0,0,1,0,0|2,0,0]=3 137 B13R2.369 O=C1SC2=C(C=CC=C2)C=C1Cl S849499 [0,0,0,1,0,0|1,1,1]=4 138 B13R2.373 O=C1C=C(C1=O)C2=CC=CC=C2 L160377 [0,0,0,1,0,0|1,0,1]=3 139 B13R2.423 O=C(O)C1CC1C2=CC=CC=N2 CDS022741 [0,0,0,1,0,0|2,0,1]=4 140 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 S354562 [0,0,0,1,0,0|0,0,3]=4 141 B13R2.435 CC(=O)C1=NC2=C(S1)C=CC=C2 CDS003776 [0,0,0,1,0,0|2,1,0]=4 142 B13R2.435 NC(=O)C1=CC2=C(O1)C=CC=C2 S815276 [0,0,0,1,0,0|1,0,2]=4 143 B13R2.435 NC(=O)C1=NC2=C(S1)C=CC=C2 PH011186 [0,0,0,1,0,0|2,1,0]=4 144 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 CDS009698 [0,0,0,1,0,0|2,0,1]=4 145 B13R2.435 O=C(O)C1=CN2C=CC=CC2=C1 CDS009157 [0,0,0,1,0,0|2,0,1]=4 146 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 CDS020355 [0,0,0,1,0,0|2,0,1]=4 147 B13R2.435 O=C(O)C1OC2=C(O1)C=CC=C2 PH010404 [0,0,0,1,0,0|1,0,2]=4 148 B11R1.35 N1C=NC(=C1)CC(=O)C(=O)O S785539 [0,0,0,0,1,0|2,0,0]=3 149 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O CDS005041 [0,0,0,0,1,0|2,0,1]=4 150 B11R1.35 O=C(O)C(=S)CC1=CC=CO1 R787000 [0,0,0,0,1,0|1,1,0]=3 151 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [0,0,0,0,1,0|3,0,0]=4 152 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,0,0,0,1,0|2,0,1]=4 153 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,0,0,0,1,0|3,0,0]=4 154 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,0,0,0,1,0|2,0,1]=4 155 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,0,0,0,1,0|2,0,1]=4 156 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,0,0,0,1,0|0,0,2]=3 157 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,0,0,0,1,0|0,1,1]=3 158 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [0,0,0,0,1,0|1,0,2]=4 159 B13R1.348 CC(=CC(=O)NC1=CC=CC=C1)C PH007530 [0,0,0,0,0,1|3,0,0]=4 160 B13R1.348 CC(=CC1=CC=CC=C1)CC(=O)N PH011402 [0,0,0,0,0,1|2,0,1]=4 161 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=N1 S457027 [0,0,0,0,0,1|3,0,0]=4 162 B13R1.348 CC(=O)CC(=O)NC1=CN=CC=C1 PH011226 [0,0,0,0,0,1|3,0,0]=4 163 B13R1.348 CC(=O)NC(=CC1=CC=CC=C1)Cl S286737 [0,0,0,0,0,1|2,0,1]=4 164 B13R1.348 CC(=O)NC(=O)NC1=CC=CC=C1 S340561 [0,0,0,0,0,1|2,0,0]=3 165 B13R1.348 CC(=O)NC(=S)NC1=CC=CC=C1 S785733 [0,0,0,0,0,1|2,1,0]=4 166 B13R1.348 CN(CC(=O)O)CC1=CC=CC=N1 CBR00611 [0,0,0,0,0,1|3,0,0]=4 167 B13R1.348 CN(CC(=O)O)CC1=CC=CN=C1 CBR00618 [0,0,0,0,0,1|3,0,0]=4 168 B13R1.348 CN(CC(=O)O)CC1=CC=NC=C1 CBR01218 [0,0,0,0,0,1|3,0,0]=4 169 B13R1.348 C[C@H](CC1=CC=CC=C1)NC(=O)N PH008163 [0,0,0,0,0,1|2,0,1]=4 170 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 T332364 [0,0,0,0,0,1|1,0,0]=2 171 B13R1.348 NC(=O)NC(=O)NC1=CC=CC=C1 S862673 [0,0,0,0,0,1|2,0,0]=3 172 B13R1.348 NC(=O)NC(=S)NC1=CC=CC=C1 S862681 [0,0,0,0,0,1|2,1,0]=4 173 B13R1.351 C/C(=N\NC1=CC=CC=C1)/C(=O)N R260665 [0,0,0,0,0,1|3,0,0]=4 174 B13R1.351 C/C(=N\NC1=CC=CC=C1)/C(=O)O R260630 [0,0,0,0,0,1|2,0,0]=3 175 B13R1.351 C=C(C)C(=O)NCC1=CC=CC=C1 S529591 [0,0,0,0,0,1|2,0,0]=3 176 B13R1.351 CC(=O)/C(=N/NC1=CC=CC=C1)/C S17265 [0,0,0,0,0,1|3,0,0]=4 177 B13R1.351 CC(=O)/C(=N\NC1=CC=CC=C1)/Cl S282227 [0,0,0,0,0,1|3,0,0]=4 178 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 PH009541 [0,0,0,0,0,1|1,0,0]=2 179 B13R1.351 CC(Br)C(=O)OCC1=CC=CC=C1 PH008809 [0,0,0,0,0,1|2,0,1]=4 180 B13R1.351 CC(C)C(=O)CCC1=CC=CC=C1 PH000319 [0,0,0,0,0,1|2,0,1]=4 181 B13R1.351 CC(C)C(=O)NCC1=CC=CC=C1 R343803 [0,0,0,0,0,1|2,0,1]=4 182 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O PH010131 [0,0,0,0,0,1|1,0,1]=3 183 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 S240338 [0,0,0,0,0,1|1,0,1]=3 184 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 S949906 [0,0,0,0,0,1|1,0,1]=3 185 B13R1.351 CC(O)C(=O)O[Hg]C1=CC=CC=C1 S354589 [0,0,0,0,0,1|2,0,1]=4 186 B13R1.351 C[C@H](SCC1=CC=CC=C1)C(=O)O PH017935 [0,0,0,0,0,1|1,0,1]=3 187 B13R1.351 O=C(NCC1=CC=CC=C1)C(Cl)Cl PH007159 [0,0,0,0,0,1|2,0,1]=4 188 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 CDS007841 [0,0,0,0,0,1|0,0,0]=1 189 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [2,0,0,0,0,0|2,0,0]=4 190 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [2,0,0,0,0,0|1,0,1]=4 191 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [2,0,0,0,0,0|2,0,0]=4 192 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [2,0,0,0,0,0|2,0,0]=4 193 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [2,0,0,0,0,0|1,0,0]=3 194 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [2,0,0,0,0,0|1,0,1]=4 195 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [2,0,0,0,0,0|1,0,1]=4 196 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [2,0,0,0,0,0|1,0,1]=4 197 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [2,0,0,0,0,0|1,0,1]=4 198 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [2,0,0,0,0,0|2,0,0]=4 202 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [2,0,0,0,0,0|1,0,1]=4 203 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [2,0,0,0,0,0|1,0,1]=4 204 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [2,0,0,0,0,0|1,0,0]=3 205 B12R1.32 C/C(=C\C1=CC=CC=C1)/C=N/O S626856 [1,1,0,0,0,0|1,0,1]=4 206 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [1,1,0,0,0,0|1,0,1]=4 207 B12R1.32 O=C(/C=N/O)NC1=CC=CC=C1 PH000185 [1,1,0,0,0,0|1,0,0]=3 208 B12R1.32 O=CNC(=O)CC1=CC=CC=C1 S909793 [1,1,0,0,0,0|0,0,0]=2 209 B12R1.32 O=CNC(=O)NC1=CC=CC=C1 S856495 [1,1,0,0,0,0|1,0,0]=3 210 B12R1.34 CCC(=O)C(C)C1=CC=CC=C1 S593516 [1,1,0,0,0,0|1,0,1]=4 211 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 T278246 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 S792535 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 S888060 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 TMT00574 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 PH006903 [1,1,0,0,0,0|2,0,0]=4 217 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PH005153 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl S734578 [1,1,0,0,0,0|2,0,0]=4 219 B12R1.49 COC(=O)CC1=CC=C(C=C1)N CDS002964 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.49 N/C(=N/O)/CC1=CC=C(C=C1)Br PH014888 [1,1,0,0,0,0|2,0,0]=4 221 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Br S649791 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Cl S595675 [1,1,0,0,0,0|2,0,0]=4 223 B12R1.50 CC1=CC(=CC=C1)C/C(=N/O)/N BOG00133 [1,1,0,0,0,0|2,0,0]=4 224 B12R1.50 CC1=CC=CC(=C1)NC(=O)CO OTV000598 [1,1,0,0,0,0|1,0,1]=4 225 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl R631787 [1,1,0,0,0,0|2,0,0]=4 226 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl S652261 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.371 COC(=O)CC1=C(C=CC=C1)Cl EME00173 [1,1,0,0,0,0|2,0,0]=4 228 B12R1.371 COC(=O)CC1=CC=CC=C1Br CDS003546 [1,1,0,0,0,0|2,0,0]=4 229 B12R1.371 COC(=O)CC1=CC=CC=C1F VBP00089 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.371 NNC(=O)CC1=C(C=CC=C1)F CBR02131 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.371 NNC(=O)CC1=CC=CC=C1O S668850 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.371 O=C(NO)NC1=CC=CC=C1Cl S647209 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)Br TMT00515 [1,1,0,0,0,0|1,0,1]=4 235 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F CDS016057 [1,1,0,0,0,0|1,0,1]=4 236 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [1,1,0,0,0,0|1,0,1]=4 237 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)N R640662 [1,1,0,0,0,0|1,0,1]=4 240 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [1,1,0,0,0,0|1,0,1]=4 241 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)O OTV000678 [1,1,0,0,0,0|1,0,1]=4 242 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Cl PH010888 [1,1,0,0,0,0|1,0,1]=4 243 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [1,1,0,0,0,0|1,0,1]=4 244 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O CDS000175 [1,1,0,0,0,0|0,0,1]=3 245 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [1,1,0,0,0,0|1,0,1]=4 246 B12R1.27 C/C(=N\O)/C=C/C1=CC=CC=C1 R396273 [1,1,0,0,0,0|1,0,1]=4 247 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [1,1,0,0,0,0|1,0,1]=4 248 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [1,1,0,0,0,0|1,0,1]=4 249 B12R1.27 COC(=O)C=CC1=CC=NC=C1 S409413 [1,1,0,0,0,0|1,0,1]=4 250 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [1,1,0,0,0,0|1,0,0]=3 251 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [1,1,0,0,0,0|1,0,1]=4 253 B12R1.27 O=C(/C=C/C1=CC=NC=C1)NO S742236 [1,1,0,0,0,0|1,0,1]=4 254 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CBR01981 [1,1,0,0,0,0|2,0,0]=4 255 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [1,1,0,0,0,0|1,0,1]=4 256 B12R1.107 C/C(=C\C(=O)N)/C1=CC=CC=C1 PH007020 [1,1,0,0,0,0|1,0,1]=4 257 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [1,1,0,0,0,0|0,0,1]=3 258 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [1,1,0,0,0,0|0,0,1]=3 259 B12R1.125 CC1=C(C=CC=C1)NCC(=O)O R871230 [1,1,0,0,0,0|1,0,1]=4 260 B12R1.125 CC1=CC=CC=C1SCC(=O)O R363820 [1,1,0,0,0,0|1,0,1]=4 261 B12R1.125 NC1=C(C=CC=C1)/C=C/C(=O)O PH011123 [1,1,0,0,0,0|0,0,1]=3 262 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl PH010874 [1,1,0,0,0,0|0,0,1]=3 263 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [1,1,0,0,0,0|0,0,1]=3 264 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl R871222 [1,1,0,0,0,0|1,0,1]=4 265 B12R1.125 O=C(O)CNC1=C(C=CC=C1)F L447560 [1,1,0,0,0,0|1,0,1]=4 266 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl CDS001276 [1,1,0,0,0,0|1,0,1]=4 267 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [1,1,0,0,0,0|1,0,1]=4 268 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [1,1,0,0,0,0|0,0,1]=3 269 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [1,1,0,0,0,0|0,0,1]=3 270 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [1,1,0,0,0,0|1,0,1]=4 271 B12R1.891 C(=C/S(=O)(=O)O)\C1=CC=CC=C1 T164135 [1,1,0,0,0,0|1,0,1]=4 272 B12R1.891 C(=C/S(=O)(=O)O)\C1=CC=CC=C1 T164143 [1,1,0,0,0,0|1,0,1]=4 273 B12R1.891 O=P(O)(O)/C=C/C1=CC=CC=C1 PH002029 [1,1,0,0,0,0|1,0,1]=4 274 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 L496227 [1,1,0,0,0,0|1,0,1]=4 275 B12R1.298 O=C(O)/C(=N\O)/CC1=CC=CO1 PH008139 [0,1,0,0,1,0|1,0,1]=4 276 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [0,1,0,0,1,0|1,0,1]=4 277 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [0,1,0,0,1,0|1,0,1]=4 278 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [0,1,0,0,1,0|1,0,1]=4 279 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [0,1,0,0,1,0|0,0,2]=4 280 B12R1.124 CC(C(=O)O)C1=CC=CC=C1F CDS023363 [0,1,0,0,1,0|1,0,1]=4 281 B12R1.124 CC1=CC=CC=C1C(C)C(=O)O S376779 [0,1,0,0,1,0|1,0,1]=4 282 B12R1.225 CC(=O)C(=O)C1=CC(=CC=C1)Cl MNO000201 [0,1,0,0,1,0|1,0,0]=3 283 B12R1.225 O=C(O)C(O)C1=CC=CC(=C1)Br PH011789 [0,1,0,0,1,0|0,0,2]=4 284 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CDS000391 [0,1,0,0,1,0|1,0,1]=4 285 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 S116629 [0,1,0,0,1,0|1,0,1]=4 286 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 S315958 [0,1,0,0,1,0|0,0,2]=4 287 B12R1.478 CC(=O)/C(=N\O)/C1=CC=CC=C1 PH008967 [0,1,0,0,1,0|1,0,1]=4 288 B12R1.478 O=C(O)/C(=N\O)/C1=CC=CC=C1 S332178 [0,1,0,0,1,0|0,0,1]=3 289 B14R1.337 CC(=O)CC(=O)NC1=C(C=CC=C1)C PH010942 [0,1,0,0,0,1|2,0,0]=4 290 B14R1.337 CC(=O)CC(=O)NC1=C(C=CC=C1)Cl S423386 [0,1,0,0,0,1|2,0,0]=4 291 B14R1.417 NC(=O)NC(=O)C(Cl)C1=CC=CC=C1 PH011640 [0,1,0,0,0,1|1,0,0]=3 292 B14R1.417 NC(=O)NC(=O)C(O)C1=CC=CC=C1 PH006968 [0,1,0,0,0,1|1,0,0]=3 293 B14R1.425 CC(=O)C(C)C(=O)NC1=CC=CC=C1 PH008363 [0,1,0,0,0,1|2,0,0]=4 294 B14R1.698 C/C(=C\C1=CC=C(C=C1)Cl)/CC(=O)O L128996 [0,1,0,0,0,1|1,0,1]=4 295 B14R1.698 CC(=O)CC(=O)NC1=CC=C(C=C1)Br R956910 [0,1,0,0,0,1|2,0,0]=4 296 B14R1.698 CC(=O)CC(=O)NC1=CC=C(C=C1)Br S420026 [0,1,0,0,0,1|2,0,0]=4 297 B14R1.698 CC(=O)CC(=O)NC1=CC=C(C=C1)S R622605 [0,1,0,0,0,1|2,0,0]=4 298 B14R1.743 CC(CO)NC(=O)CC1=CC=CC=C1 PH010622 [0,1,0,0,0,1|1,0,1]=4 299 B14R1.743 CCC(=O)NC(=O)NC1=CC=CC=C1 S856290 [0,1,0,0,0,1|2,0,0]=4 300 B14R1.743 N/C(=N/O)/CC(=O)NC1=CC=CC=C1 R662917 [0,1,0,0,0,1|2,0,0]=4 301 B14R1.5978 CC(=O)CC(=O)NC1=CC(=CC=C1)C S384879 [0,1,0,0,0,1|2,0,0]=4 302 B14R1.5978 CC(=O)CC(=O)NC1=CC(=CC=C1)Cl S384615 [0,1,0,0,0,1|2,0,0]=4 303 B14R1.161 CC1=C(C=CC=C1)OCC(O)C(=O)O CBR00037 [0,1,0,0,0,1|0,0,2]=4 304 B14R1.161 CC1=CC=CC=C1SCC(N)C(=O)O PH009775 [0,1,0,0,0,1|1,0,1]=4 305 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O S802816 [0,1,0,0,0,1|1,0,1]=4 306 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=CN=C1 CDS009564 [0,1,0,0,0,1|1,0,0]=3 307 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=NC=C1 CDS009563 [0,1,0,0,0,1|1,0,0]=3 308 B14R1.679 CC(CNC1=CC=C(C=C1)Cl)C(=O)O PH010346 [0,1,0,0,0,1|1,0,1]=4 309 B14R1.679 CC1=CC=C(C=C1)CCC(O)C(=O)O PH008648 [0,1,0,0,0,1|0,0,2]=4 310 B14R1.679 O=C(O)C(=O)/C=C/C1=CC=C(C=C1)F PH008186 [0,1,0,0,0,1|0,0,1]=3 311 B14R1.756 CNC(=O)C(=O)NCC1=CC=CC=C1 PH002913 [0,1,0,0,0,1|1,0,0]=3 312 B14R1.756 COC(=O)/C(=N/NC1=CC=CC=C1)/C R260673 [0,1,0,0,0,1|2,0,0]=4 313 B14R1.756 COC(=O)C(C)CSC1=CC=CC=C1 S614033 [0,1,0,0,0,1|1,0,1]=4 314 B14R1.756 COC(=O)C(N)CCC1=CC=CC=C1 CDS006089 [0,1,0,0,0,1|1,0,1]=4 315 B14R1.756 COC(=O)C(O)CCC1=CC=CC=C1 PH000808 [0,1,0,0,0,1|0,0,2]=4 316 B14R1.756 COC(=O)[C@H](N)CCC1=CC=CC=C1 PH019536 [0,1,0,0,0,1|1,0,1]=4 317 B14R1.756 NNC(=O)C(=O)NCC1=CC=CC=C1 PH010793 [0,1,0,0,0,1|1,0,0]=3 318 B14R1.756 O=C(OCC1=CC=CC=C1)/C(=N/O)/Cl S953253 [0,1,0,0,0,1|1,0,0]=3 319 B14R1.3099 C=C(CCC1=CC=CC=C1)S(=O)(=O)O T164089 [0,1,0,0,0,1|2,0,0]=4 320 B14R1.4194 [C@@H](CO)(NCC1=CC=CC=C1)C(=O)O S294500 [0,1,0,0,0,1|0,0,2]=4 321 B14R1.4194 [C@@H](CO)(NCC1=CC=CC=C1)C(=O)O S777064 [0,1,0,0,0,1|0,0,2]=4 322 B14R1.6395 CC(C)(CSC1=CC=CC=C1)C(=O)O PH004294 [0,1,0,0,0,1|1,0,1]=4 323 B14R1.3 COC1=CC=C(C=C1)/C=C(\C)/C(=O)O PH011559 [0,2,0,0,0,0|1,0,1]=4 324 B14R1.3 COC1=CC=C(C=C1)CC(Br)C(=O)O L129216 [0,2,0,0,0,0|1,0,1]=4 325 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)Cl PH016711 [0,2,0,0,0,0|1,0,1]=4 326 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)O S457787 [0,2,0,0,0,0|1,0,1]=4 327 B14R1.536 CC/C(=C\C1=CC=C(C=C1)F)/C(=O)O R948772 [0,2,0,0,0,0|1,0,1]=4 328 B14R1.536 CC1=CC=C(C=C1)/C=C(/C#N)\C(=O)O R539341 [0,2,0,0,0,0|1,0,1]=4 329 B14R1.536 COC(CC1=CC=C(C=C1)Br)C(=O)O PH018906 [0,2,0,0,0,0|0,0,2]=4 330 B14R1.536 COC(CC1=CC=C(C=C1)I)C(=O)O PH016333 [0,2,0,0,0,0|0,0,2]=4 331 B14R1.536 N#C/C(=C\C1=CC=C(C=C1)Br)/C(=O)O T104000 [0,2,0,0,0,0|1,0,1]=4 332 B14R1.536 N#C/C(=C\C1=CC=C(C=C1)Cl)/C(=O)O R437689 [0,2,0,0,0,0|1,0,1]=4 333 B14R1.6049 C/C(=C\C1=CC=C(C=C1Cl)Cl)/C(=O)O R151157 [0,2,0,0,0,0|1,0,1]=4 334 B14R1.6049 CC1=CC=C(C(=C1)C)C[C@@H](N)C(=O)O CDS005520 [0,2,0,0,0,0|1,0,1]=4 335 B14R1.6049 CC1=CC=C(C(=C1)O)CC(N)C(=O)O S749745 [0,2,0,0,0,0|1,0,1]=4 336 B14R1.6049 NC(CC1=CC=C(C=C1Cl)Cl)C(=O)O PH010886 [0,2,0,0,0,0|1,0,1]=4 337 B14R1.7626 CC(N)(CC1=CC=C(C=C1)O)C(=O)O S783218 [0,2,0,0,0,0|1,0,1]=4 338 B14R1.60 CCOC(=O)C(=O)CC1=NC=CN=C1 PH007351 [0,2,0,0,0,0|2,0,0]=4 339 B14R1.60 CCOC(=O)C(=O)NC1=CC=NC=C1 PH010474 [0,2,0,0,0,0|2,0,0]=4 340 B14R1.85 COC(=O)C(Br)C(Br)C1=CC=CC=C1 PH000383 [0,2,0,0,0,0|1,0,1]=4 341 B14R1.135 CC1=CC=CC(=C1)NC(=O)C(=O)NN TMT00017 [0,2,0,0,0,0|2,0,0]=4 342 B14R1.135 COC(=O)[C@H](N)CC1=CC(=CC=C1)F CDS020830 [0,2,0,0,0,0|1,0,1]=4 343 B14R1.1007 COC(=O)C(Br)CC1=C(C=CC=C1)F OTV000774 [0,2,0,0,0,0|1,0,1]=4 344 B14R1.1031 COC(=O)C(=CC1=CC=CC=C1)C#N S352764 [0,2,0,0,0,0|1,0,1]=4 345 B14R1.1031 [C-]#[N+]C(CC1=CC=CC=C1)C(=O)OC PH014919 [0,2,0,0,0,0|1,0,1]=4 346 B14R1.150 C/C(=C(\S)/C(=O)O)/C1=CC=CC(=C1)O S756598 [0,2,0,0,0,0|0,1,1]=4 347 B14R1.153 CC1=C(C(=CC=C1)CC(N)C(=O)O)O S749753 [0,2,0,0,0,0|1,0,1]=4 348 B14R1.542 CC/C(=C/C1=CC(=CC=C1)O)/C(=O)O R169552 [0,2,0,0,0,0|1,0,1]=4 349 B14R1.542 CCC(CC1=CC(=CC=C1)O)C(=O)O R648345 [0,2,0,0,0,0|1,0,1]=4 350 B14R1.4404 CC(C)(CC1=CC(=CC=C1)F)C(=O)O PH017258 [0,2,0,0,0,0|1,0,1]=4 351 B14R1.4474 CC1=CC=C(C(=C1)CC(N)C(=O)O)O S749664 [0,2,0,0,0,0|1,0,1]=4 352 B14R1.243 NC1=CC=CC=C1C(Br)C(Br)C(=O)O S762032 [0,2,0,0,0,0|1,0,1]=4 353 B14R1.550 N#C/C(=C\C1=C(C=CC=C1)Br)/C(=O)O T118273 [0,2,0,0,0,0|1,0,1]=4 354 B14R1.550 N#C/C(=C\C1=C(C=CC=C1)F)/C(=O)O L132403 [0,2,0,0,0,0|1,0,1]=4 355 B14R1.550 N#CC(CC1=CC=CC=C1Cl)C(=O)O S893331 [0,2,0,0,0,0|1,0,1]=4 356 B14R1.3135 CCC1=C(C=CC=C1)NC(=O)C(=O)C R628409 [0,2,0,0,0,0|2,0,0]=4 357 B14R1.3135 COC1=C(C=CC=C1)CC(=S)C(=O)O R627100 [0,2,0,0,0,0|0,1,0]=3 358 B14R1.3135 COC1=C(C=CC=C1)C[C@H](N)C(=O)O BBO000410 [0,2,0,0,0,0|1,0,1]=4 359 B14R1.3135 COC1=CC=CC=C1/C=C(\C)/C(=O)O S560405 [0,2,0,0,0,0|1,0,1]=4 360 B14R1.3135 COC1=CC=CC=C1/C=C(\S)/C(=O)O S762539 [0,2,0,0,0,0|0,1,1]=4 361 B14R1.3135 COC1=CC=CC=C1CC(C)C(=O)O PH010638 [0,2,0,0,0,0|1,0,1]=4 362 B14R1.5971 C/C(=C\C1=C(C=CC=C1Cl)Cl)/C(=O)O PH003467 [0,2,0,0,0,0|1,0,1]=4 363 B14R1.548 O=S(=O)(O)/C(=C\Cl)/CC1=CC=CC=C1 T164054 [0,2,0,0,0,0|2,0,0]=4 364 B14R1.980 C(=O)NC(CC1=CC=CC=C1)C(=O)O S620750 [0,2,0,0,0,0|0,0,1]=3 365 B14R1.4513 CC(=O)C(=CC1=CC=CC=C1)C(=O)C S620335 [0,2,0,0,0,0|1,0,1]=4 366 B14R1.4513 CC(=O)C(CC1=CC=CC=C1)C(=O)C CBR02262 [0,2,0,0,0,0|1,0,1]=4 367 B14R1.4513 NC(=O)C(CC1=CC=CC=C1)C(=O)N S624616 [0,2,0,0,0,0|1,0,1]=4 368 B14R1.4513 NC(=O)C(CC1=CC=CC=C1)C(=O)O T156833 [0,2,0,0,0,0|0,0,1]=3 369 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)O S116548 [0,2,0,0,0,0|1,0,1]=4 370 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)O S120383 [0,2,0,0,0,0|1,0,1]=4 371 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)O S316059 [0,2,0,0,0,0|1,0,1]=4 372 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)O S490547 [0,2,0,0,0,0|1,0,1]=4 373 B12R2.18 CN1CC2=C(C1=O)C=CC=C2 S701564 [1,0,0,1,0,0|2,0,0]=4 374 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [1,0,0,1,0,0|2,0,0]=4 375 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [1,0,0,1,0,0|1,0,0]=3 376 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [1,0,0,1,0,0|1,0,1]=4 377 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [1,0,0,1,0,0|0,0,1]=3 378 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 PH006841 [1,0,0,1,0,0|2,0,0]=4 379 B14R2.19 O=C1C=C(CO1)NC2=CC=CC=C2 S811505 [0,0,0,1,0,1|2,0,0]=4 380 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 PH000320 [0,0,0,1,0,1|1,0,1]=4 381 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 PH000361 [0,0,0,1,0,1|1,0,1]=4 382 B14R2.598 NC1=NC(=O)C(S1)C2=CC=CC=C2 PH009898 [0,0,0,1,0,1|1,1,0]=4 383 B14R2.598 O=C1CC(C(=O)N1)C2=CC=CC=C2 S841420 [0,0,0,1,0,1|1,0,0]=3 384 B14R2.598 O=C1NC(=O)N(N1)C2=CC=CC=C2 PH011521 [0,0,0,1,0,1|2,0,0]=4 385 B14R2.642 CC(=O)N1C(=O)SC2=C1C=CC=C2 R241660 [0,0,0,1,0,1|2,0,0]=4 386 B14R2.768 O=C(O)CC1=CC2=C(N1)C=CC=C2 CDS021628 [0,0,0,1,0,1|1,0,1]=4 387 B14R2.768 O=C(O)CC1=CC2=C(O1)C=CC=C2 CDS016771 [0,0,0,1,0,1|0,0,2]=4 388 B14R2.768 O=C(O)CC1CC2=C(C1)C=CC=C2 PH011454 [0,0,0,1,0,1|1,0,1]=4 389 B14R2.768 O=C(O)CN1CC2=CC=CC=C2C1 T327409 [0,0,0,1,0,1|2,0,0]=4 390 B14R2.4586 CC1=C(C1C(=O)O)C2=CC=CC=C2 CBR00020 [0,0,0,1,0,1|1,0,1]=4 391 B14R2.427 O=C1CN(C1=O)CC2=CC=CC=C2 T251178 [0,0,0,1,0,1|1,0,0]=3 392 B14R2.427 O=C1CN(C1=O)CC2=CC=CC=C2 T263419 [0,0,0,1,0,1|1,0,0]=3 393 B14R2.741 O=C1C=CC2=CC=CC=C2C=C1O T276758 [0,0,0,1,0,1|1,0,1]=4 394 B14R2.781 NC(=O)C1=CC2=C(C=CC=C2)OC1 PH004711 [0,0,0,1,0,1|2,0,0]=4 395 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=N1 BBO000660 [0,0,0,1,0,1|1,0,1]=4 396 B14R2.781 O=C(O)C1=NC=C2C=CC=CC2=C1 CDS000326 [0,0,0,1,0,1|1,0,1]=4 397 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 CDS005312 [0,0,0,1,0,1|1,0,1]=4 398 B14R2.781 O=C(O)C1CCC2=C(N1)C=CC=C2 CDS021780 [0,0,0,1,0,1|1,0,1]=4 399 B14R2.781 O=C(O)C1CCC2=C(O1)C=CC=C2 CDS008154 [0,0,0,1,0,1|0,0,2]=4 400 B14R2.781 O=C(O)[C@@H]1CCC2=CC=CC=C2O1 PH017369 [0,0,0,1,0,1|0,0,2]=4 401 B14R2.781 O=C(O)[C@H]1CCC2=CC=CC=C2O1 PH017370 [0,0,0,1,0,1|0,0,2]=4 402 B14R2.4529 CC1=CC2=C(C=C1)OC(=C2)C(=O)O CDS008857 [0,1,0,1,0,0|0,0,2]=4 403 B14R2.4529 CC1=CC=C2C=C(OC2=C1)C(=O)O T325414 [0,1,0,1,0,0|0,0,2]=4 404 B14R2.4529 CC1=CC=C2CC(CC2=C1)C(=O)O PH017368 [0,1,0,1,0,0|1,0,1]=4 405 B14R2.4529 CC1=CC=C2CC(SC2=C1)C(=O)O T326569 [0,1,0,1,0,0|0,1,1]=4 406 B14R2.4529 CC1=CC=C2NC(CC2=C1)C(=O)O CBR00777 [0,1,0,1,0,0|1,0,1]=4 407 B14R2.4529 NC1=CC=C2NC(=CC2=C1)C(=O)O CDS018503 [0,1,0,1,0,0|1,0,1]=4 408 B14R2.4529 NC1=CC=C2OC(=CC2=C1)C(=O)O CDS023605 [0,1,0,1,0,0|0,0,2]=4 409 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)Br CDS006283 [0,1,0,1,0,0|1,0,1]=4 410 B14R2.4529 O=C(O)C1=CC2=C(O1)C=CC(=C2)Br PH006864 [0,1,0,1,0,0|0,0,2]=4 411 B14R2.4529 O=C(O)C1=CC2=CC(=CC=C2S1)Br CDS015148 [0,1,0,1,0,0|0,1,1]=4 412 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)Cl PH006850 [0,1,0,1,0,0|1,0,1]=4 413 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)O CDS005384 [0,1,0,1,0,0|1,0,1]=4 414 B14R2.4529 O=C(O)C1=NC2=CC(=CC=C2N1)F CDS022957 [0,1,0,1,0,0|2,0,0]=4 415 B14R2.4529 O=C(O)C1=NC2=CC=C(C=C2N1)F CDS022344 [0,1,0,1,0,0|2,0,0]=4 416 B14R2.4529 O=C(O)C1CC2=C(O1)C=CC(=C2)F CDS023496 [0,1,0,1,0,0|0,0,2]=4 417 B14R2.4529 O=C(O)C1CC2=CC(=CC=C2N1)Cl CDS021216 [0,1,0,1,0,0|1,0,1]=4 418 B14R2.8239 CC1=CC=C2NC(=O)C(=O)NC2=C1 CDS019918 [0,1,0,1,0,0|2,0,0]=4 419 B14R2.8239 O=C1NC2=C(C=C(C=C2)Cl)NC1=O PH003527 [0,1,0,1,0,0|2,0,0]=4 420 B14R2.447 CC1=C(C(=O)C1=O)C2=CC=CC=C2 T261041 [0,1,0,1,0,0|1,0,1]=4 421 B14R2.447 O=C1C(=O)C(=C1Cl)C2=CC=CC=C2 T260975 [0,1,0,1,0,0|1,0,1]=4 422 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 S353248 [0,1,0,1,0,0|0,0,2]=4 423 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O UPL0014 [0,1,0,1,0,0|1,0,1]=4 424 B14R2.4514 C=C1C(=O)OCC1C2=CC=CC=C2 T262382 [0,1,0,1,0,0|1,0,0]=3 425 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C12 CBR00312 [0,1,0,1,0,0|2,0,0]=4 426 B14R2.8188 O=C1OC2=C(C=CC=C2)C(=C1Br)O PH011265 [0,1,0,1,0,0|1,0,1]=4 427 B14R2.4476 O=C(O)C1CC1C2=CC=CC(=C2)F CDS023747 [0,1,0,1,0,0|1,0,1]=4 428 B14R2.7969 CC1=CC=CC2=C1C=C(N2)C(=O)O CDS008967 [0,1,0,1,0,0|1,0,1]=4 429 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2S1)Cl CDS014024 [0,1,0,1,0,0|0,1,1]=4 430 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)O CDS007536 [0,1,0,1,0,0|1,0,1]=4 431 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CC=C2Cl PH000388 [0,1,0,1,0,0|1,0,1]=4 432 B14R2.7969 O=C(O)C1=CC2=CC=CC(=C2N1)Cl CDS002296 [0,1,0,1,0,0|1,0,1]=4 433 B14R2.450 CC1=C(NC2=CC=CC=C12)C(=O)O CDS002324 [0,1,0,1,0,0|1,0,1]=4 434 B14R2.450 N[C@H]1C2=CC=CC=C2C[C@H]1C(=O)O BBO000345 [0,1,0,1,0,0|1,0,1]=4 435 B14R2.450 O=C(O)C1=C(C2=C([Se]1)C=CC=C2)Br S92909 [0,1,0,1,0,0|0,1,1]=4 436 B14R2.5443 CC1=CC=CC=C1[C@H]2C[C@@H]2C(=O)O PH018831 [0,1,0,1,0,0|1,0,1]=4 437 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2F CDS023677 [0,1,0,1,0,0|1,0,1]=4 438 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [1,0,0,0,1,0|2,0,0]=4 439 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [1,0,0,0,1,0|2,0,0]=4 440 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [1,0,0,0,1,0|2,0,0]=4 441 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [1,0,0,0,1,0|2,0,0]=4 442 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [1,0,0,0,1,0|1,0,1]=4 443 B12R1.252 CC(=CCOC1=CC=CC=C1)C S134643 [1,0,0,0,0,1|2,0,0]=4 444 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 S364789 [1,0,0,0,0,1|2,0,0]=4 445 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [1,0,0,0,0,1|1,0,1]=4 446 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [1,0,0,0,0,1|1,0,1]=4 447 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [1,0,0,0,0,1|1,0,1]=4 448 B12R1.252 CC(=O)O[Hg]CC1=CC=CC=C1 S881120 [1,0,0,0,0,1|2,0,0]=4 449 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [1,0,0,0,0,1|1,0,1]=4 450 B12R1.252 NC(=O)CSCC1=CC=CC=C1 S614386 [1,0,0,0,0,1|1,0,1]=4 451 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [1,0,0,0,0,1|1,0,1]=4 452 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 PH000271 [1,0,0,0,0,1|1,0,1]=4 453 B12R1.252 O=C(O)CCNC1=CC=CC=C1 R155780 [1,0,0,0,0,1|0,0,1]=3 454 B12R1.252 O=C(O)CCSC1=CC=CC=C1 L305855 [1,0,0,0,0,1|0,0,1]=3 455 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 S949442 [1,0,0,0,0,1|0,0,1]=3 456 B12R1.252 O=C(O)CNCC1=NC=CC=C1 PH014769 [1,0,0,0,0,1|1,0,1]=4 457 B12R1.260 NC(=O)NC(=O)CC1=CC=CO1 PH009062 [0,0,0,0,1,1|2,0,0]=4 458 B14R1.423 CC(=O)NNC(=O)CC1=CC=CC=C1 S669989 [0,0,0,0,0,2|1,0,0]=3 459 B14R1.423 O=C(CC1=CC=CC=C1)NC=C(Cl)Cl S196894 [0,0,0,0,0,2|2,0,0]=4 460 B14R1.423 O=C(O)/C=C\C(=O)NC1=CC=CC=C1 S364452 [0,0,0,0,0,2|1,0,0]=3 461 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 S700983 [0,0,0,0,0,2|1,0,0]=3 462 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=N1 S703036 [0,0,0,0,0,2|2,0,0]=4 463 B14R1.423 O=C(O)CCC(=O)NC1=CC=CN=C1 S704881 [0,0,0,0,0,2|2,0,0]=4 464 B14R1.423 O=C(O)CCC(=O)OC1=CC=CC=C1 PH009559 [0,0,0,0,0,2|1,0,0]=3 465 B14R1.423 O=C(O)CCS(=O)CC1=CC=CC=C1 PH010240 [0,0,0,0,0,2|1,0,0]=3 466 B14R1.423 O=C(O)CNC(=S)NC1=CC=CC=C1 S409812 [0,0,0,0,0,2|1,1,0]=4 467 B14R1.818 CC(=CC(=O)OCC1=CC=CC=C1)C PH000990 [0,0,0,0,0,2|2,0,0]=4 468 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 S357170 [0,0,0,0,0,2|1,0,0]=3 469 B14R1.818 NC(=O)NC(=O)/C=C/C1=CC=CC=C1 PH007348 [0,0,0,0,0,2|1,0,1]=4 470 B14R1.6449 CC(CNCC1=CC=CC=C1)C(=O)O PH010724 [0,0,0,0,0,2|1,0,1]=4 471 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O PH010500 [0,0,0,0,0,2|1,0,1]=4 472 B14R1.6449 NC(CCOC1=CC=CC=C1)C(=O)O PH012937 [0,0,0,0,0,2|1,0,1]=4 473 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O S635022 [0,0,0,0,0,2|1,0,1]=4 474 B14R1.6449 N[C@@H](C/C=C/C1=CC=CC=C1)C(=O)O CDS005069 [0,0,0,0,0,2|1,0,1]=4 475 B14R1.6449 N[C@H](C/C=C/C1=CC=CC=C1)C(=O)O CDS005975 [0,0,0,0,0,2|1,0,1]=4