0 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 H50049 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.125 CC1=C(C=CC(=O)O)C=CC=C1 M52420 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [0,0,0,0,0,0|1,0,2]=3 3 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 M62392 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [0,0,0,0,0,0|1,0,2]=3 5 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [0,0,0,0,0,0|1,0,2]=3 6 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [0,0,0,0,0,0|1,0,2]=3 7 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [0,0,0,0,0,0|1,0,2]=3 8 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 F48669 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.125 O=C(O)CSC1=C(Cl)C=CC=C1 C64672 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 B62216 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 C6638 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 F68685 [0,0,0,0,0,0|1,0,0]=1 13 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H68558 [0,0,0,0,0,0|0,0,0]=0 14 B12R1.125 O=[N+]([O-])C=CC1=C(Cl)C=CC=C1 C47994 [0,0,0,0,0,0|2,0,1]=3 15 B12R1.125 O=[N+]([O-])\C=C\C1=C(Cl)C=CC=C1 C47995 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.125 O=[N+]([O-])\C=C\C1=C(F)C=CC=C1 F61821 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.17 O=C\C=C\C1=C(Cl)C=CC=C1 C51320 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 C61979 [1,0,0,0,0,0|1,0,0]=2 23 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [1,0,0,0,0,0|1,0,2]=4 24 B11R1.91 O=C(O)C#CC1=CC=CC=C1 P67832 [1,0,0,0,0,0|0,0,2]=3 25 B11R1.91 O=C(O)C#CC1=CN=CC=C1 P47713 [1,0,0,0,0,0|1,0,2]=4 26 B11R1.91 O=C(O)C=CC1=CN=CC=C1 P48460 [1,0,0,0,0,0|1,0,0]=2 27 B11R1.91 O=C(O)C=CC1=NC=CC=C1 P48456 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [1,0,0,0,0,0|1,0,2]=4 29 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [1,0,0,0,0,0|1,0,1]=3 30 B11R1.91 O=C(O)CNC1=CN=CC=C1 P46005 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.91 O=C(O)COC1=CC=NC=C1 P45840 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.91 O=C(O)COC1=CN=CC=C1 P45834 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.91 O=C(O)CSC1=CC=NC=C1 P68840 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [1,0,0,0,0,0|0,0,0]=1 35 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P69501 [1,0,0,0,0,0|1,0,0]=2 36 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 P48463 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 P4986 [1,0,0,0,0,0|1,0,1]=3 38 B13R1.90 COC1=C(C=CC(=O)O)C=CC=C1 M39590 [0,1,0,0,0,0|0,0,0]=1 39 B13R1.90 COC1=C(CCC(=O)O)C=CC=C1 M52828 [0,1,0,0,0,0|0,0,2]=3 40 B13R1.90 COC1=C(OCC(=O)O)C=CC=C1 M64054 [0,1,0,0,0,0|1,0,1]=3 41 B13R1.90 COC1=C(\C=C\[N+](=O)[O-])C=CC=C1 M66294 [0,1,0,0,0,0|1,0,1]=3 42 B13R1.90 O=C(O)COC1=C(CO)C=CC=C1 H49947 [0,1,0,0,0,0|1,0,1]=3 43 B13R1.90 O=CC1=C(C=CC(=O)O)C=CC=C1 F53805 [0,1,0,0,0,0|0,0,1]=2 44 B13R1.90 O=CC1=C(OCC(=O)O)C=CC=C1 F67142 [0,1,0,0,0,0|1,0,2]=4 45 B13R1.150 O=C(O)C=CC1=CC=CC(Cl)=C1F C50978 [0,1,0,0,0,0|1,0,0]=2 46 B13R1.150 O=C(O)CCC1=CC=CC(Cl)=C1Cl D38742 [0,1,0,0,0,0|1,0,2]=4 47 B13R1.150 O=C(O)CCC1=CC=CC(Cl)=C1F C51606 [0,1,0,0,0,0|1,0,2]=4 48 B13R1.164 O=C(O)CCC1=C(Br)C=C(F)C=C1 B51583 [0,1,0,0,0,0|1,0,2]=4 49 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Br)C=C1 B51571 [0,1,0,0,0,0|1,0,2]=4 50 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Cl)C=C1 D51598 [0,1,0,0,0,0|1,0,2]=4 51 B13R1.164 O=C(O)CCC1=C(Cl)C=C(F)C=C1 C51605 [0,1,0,0,0,0|1,0,2]=4 52 B13R1.164 O=C(O)COC1=C(Cl)C=C(Cl)C=C1 D60588 [0,1,0,0,0,0|2,0,1]=4 53 B13R1.164 O=C(O)COC1=C(O)C=C(Cl)C=C1 C48700 [0,1,0,0,0,0|1,0,1]=3 54 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Cl)C=C1 D61904 [0,1,0,0,0,0|1,0,0]=2 55 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Cl)C=C1 D69477 [0,1,0,0,0,0|1,0,0]=2 56 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(F)C=C1 C50979 [0,1,0,0,0,0|1,0,0]=2 57 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 A52969 [0,1,0,0,0,0|1,0,2]=4 58 B13R1.201 CC1=C([C@H](N)CC(=O)O)C=CC=C1 A52963 [0,1,0,0,0,0|1,0,2]=4 59 B13R1.201 N[C@@H](CC(=O)O)C1=C(F)C=CC=C1 A49834 [0,1,0,0,0,0|1,0,2]=4 60 B13R1.201 N[C@H](CC(=O)O)C1=C(Cl)C=CC=C1 A49821 [0,1,0,0,0,0|1,0,2]=4 61 B13R1.202 CC1=C(C[C@@H](N)C(=O)O)C=CC=C1 A52962 [0,1,0,0,0,0|1,0,2]=4 62 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=C1 A52954 [0,1,0,0,0,0|1,0,2]=4 63 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O A61938 [0,1,0,0,0,0|1,0,2]=4 64 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O A49818 [0,1,0,0,0,0|1,0,2]=4 65 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O A52126 [0,1,0,0,0,0|0,0,2]=3 66 B13R1.202 N[C@H](CC1=C(F)C=CC=C1)C(=O)O A49838 [0,1,0,0,0,0|1,0,2]=4 67 B13R1.528 COC(=O)C=CC1=C(N)C=CC=C1 M52562 [0,1,0,0,0,0|1,0,0]=2 68 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 M52625 [0,1,0,0,0,0|1,0,2]=4 69 B13R1.893 CC1=CC(C=CC(=O)O)=C(C)C=C1 D54556 [0,1,0,0,0,0|1,0,0]=2 70 B13R1.893 O=C(O)CCC1=C(Cl)C=CC(Cl)=C1 D38926 [0,1,0,0,0,0|1,0,2]=4 71 B13R1.893 O=C(O)CCC1=C(F)C=CC(Br)=C1 B51585 [0,1,0,0,0,0|1,0,2]=4 72 B13R1.893 O=C(O)CCC1=C(F)C=CC(Cl)=C1 C51607 [0,1,0,0,0,0|1,0,2]=4 73 B13R1.893 O=C(O)\C=C\C1=C(F)C=CC(Br)=C1 B61684 [0,1,0,0,0,0|1,0,0]=2 74 B13R1.3787 O=C(O)C=CC1=C(Cl)C=CC=C1Cl D39564 [0,1,0,0,0,0|1,0,0]=2 75 B13R1.3787 O=C(O)COC1=C(Cl)C=CC=C1Cl D48215 [0,1,0,0,0,0|2,0,1]=4 76 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)N1 K53902 [0,0,0,1,0,0|2,0,0]=3 77 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 B61955 [0,0,0,1,0,0|1,0,0]=2 78 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 A64883 [0,0,0,1,0,0|1,1,0]=3 79 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 B51360 [0,0,0,1,0,0|3,0,0]=4 80 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 B51183 [0,0,0,1,0,0|2,0,0]=3 81 B13R2.435 NC(=O)C1=CC2=CC=CNC2=N1 P29771 [0,0,0,1,0,0|3,0,0]=4 82 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 B48396 [0,0,0,1,0,0|3,0,0]=4 83 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 B38556 [0,0,0,1,0,0|0,0,0]=1 84 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 B36620 [0,0,0,1,0,0|0,1,0]=2 85 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)N1 A12533 [0,0,0,1,0,0|2,0,0]=3 86 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 T0447 [0,0,0,1,0,0|1,1,0]=3 87 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 P9023 [0,0,0,1,0,0|2,0,0]=3 88 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)O1 F8714 [0,0,0,1,0,0|1,0,0]=2 89 B13R2.435 O=C(O)C1=CC2=C(C=NC=N2)N1 P14654 [0,0,0,1,0,0|3,0,0]=4 90 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)N1 P0055 [0,0,0,1,0,0|2,0,0]=3 91 B13R2.435 O=C(O)C1=CC2=C(N=CC=N2)N1 P44883 [0,0,0,1,0,0|3,0,0]=4 92 B13R2.435 O=C(O)C1=CC2=C(N=CN=C2)N1 P7615 [0,0,0,1,0,0|3,0,0]=4 93 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 T12732 [0,0,0,1,0,0|1,1,0]=3 94 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 K3713 [0,0,0,1,0,0|2,0,0]=3 95 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 K60831 [0,0,0,1,0,0|3,0,0]=4 96 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 K44878 [0,0,0,1,0,0|3,0,0]=4 97 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 P47888 [0,0,0,1,0,0|3,0,0]=4 98 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 B22825 [0,0,0,1,0,0|2,0,0]=3 99 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 B13965 [0,0,0,1,0,0|1,1,0]=3 100 B13R2.435 O=C(O)C1=NC2=C(C=CN=C2)N1 K44881 [0,0,0,1,0,0|3,0,0]=4 101 B13R2.435 O=C(O)C1=NC2=C(N=CC=C2)N1 K44882 [0,0,0,1,0,0|3,0,0]=4 102 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 P47887 [0,0,0,1,0,0|2,0,0]=3 103 B13R2.435 O=C(O)C1=NN2N=CC=CC2=C1 P15084 [0,0,0,1,0,0|3,0,0]=4 104 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 D22647 [0,0,0,1,0,0|1,0,2]=4 105 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 K9534 [0,0,0,1,0,0|1,0,2]=4 106 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)O1 D9444 [0,0,0,1,0,0|0,0,2]=3 107 B13R2.435 O=C([O-])C1=NC2=C(C=CC=C2)O1 B37604 [0,0,0,1,0,0|1,0,1]=3 108 B13R2.435 OB(O)C1=CC2=C(C=CC=C2)O1 B1440 [0,0,0,1,0,0|1,0,1]=3 109 B13R2.5179 CC1=C2C=CC(O)=CC2=NC=C1 M53895 [0,0,0,1,0,0|3,0,0]=4 110 B13R2.5179 CC1=CC=C2C(Cl)=CC=CC2=N1 C53726 [0,0,0,1,0,0|3,0,0]=4 111 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 M54373 [0,0,0,1,0,0|3,0,0]=4 112 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 M67755 [0,0,0,1,0,0|3,0,0]=4 113 B13R2.5179 ClC1=NC2=CC=CC(Cl)=C2C=C1 D24437 [0,0,0,1,0,0|3,0,0]=4 114 B13R2.5179 NC1=CC=C2C(Cl)=CC=CC2=N1 C51071 [0,0,0,1,0,0|3,0,0]=4 115 B13R2.5179 O=C1C=C2C=CC=C(Cl)C2=CN1 C64042 [0,0,0,1,0,0|3,0,0]=4 116 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2N1 B50916 [0,0,0,1,0,0|2,0,0]=3 117 B13R2.5179 O=C1C=CC2=C(C=CC=C2O)N1 H51173 [0,0,0,1,0,0|1,0,0]=2 118 B13R2.5179 O=C1C=CNC2=C1C=CC(O)=C2 H62038 [0,0,0,1,0,0|2,0,1]=4 119 B13R2.5179 O=C1C=COC2=C1C=CC(O)=C2 H12093 [0,0,0,1,0,0|2,0,1]=4 120 B13R2.5179 O=C1CCC2=C(C=CC=C2O)N1 H51785 [0,0,0,1,0,0|1,0,2]=4 121 B13R2.5179 O=C1NC=CC2=C1C=CC(O)=C2 H51182 [0,0,0,1,0,0|2,0,1]=4 122 B13R2.5179 OC1=C2C=CC(Br)=CC2=CC=C1 B36899 [0,0,0,1,0,0|2,0,0]=3 123 B13R2.5179 OC1=C2C=CC(Br)=CC2=CC=N1 B9202 [0,0,0,1,0,0|3,0,0]=4 124 B13R2.5179 OC1=C2C=CC(Br)=CC2=NC=C1 B38608 [0,0,0,1,0,0|3,0,0]=4 125 B13R2.5179 OC1=C2C=CC(Cl)=CC2=NC=C1 C68977 [0,0,0,1,0,0|3,0,0]=4 126 B13R2.5179 OC1=C2C=CC(F)=CC2=CC=C1 F53619 [0,0,0,1,0,0|2,0,0]=3 127 B13R2.5179 OC1=CC=C2C(=C1)C=CN=C2Cl C50929 [0,0,0,1,0,0|3,0,0]=4 128 B13R2.5179 OC1=CC=C2C(Cl)=CC=NC2=C1 C28695 [0,0,0,1,0,0|3,0,0]=4 129 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 D69657 [0,0,0,1,0,0|1,0,0]=2 130 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 B52020 [0,0,0,0,1,0|2,0,1]=4 131 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 C52039 [0,0,0,0,1,0|2,0,1]=4 132 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 F52044 [0,0,0,0,1,0|2,0,1]=4 133 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 A46655 [0,0,0,0,1,0|3,0,0]=4 134 B11R1.86 CC(=O)NC1=NC=CC=C1O H46007 [0,0,0,0,1,0|3,0,0]=4 135 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 T69090 [0,0,0,0,1,0|1,0,1]=3 136 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 C49033 [0,0,0,0,1,0|2,0,1]=4 137 B11R1.86 NC1=C(CC(=O)O)C=CC=N1 A46006 [0,0,0,0,1,0|2,0,1]=4 138 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 B39490 [0,0,0,0,1,0|1,0,1]=3 139 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 B11292 [0,0,0,0,1,0|2,0,1]=4 140 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 F39494 [0,0,0,0,1,0|1,0,1]=3 141 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 K48630 [0,0,0,0,1,0|1,0,1]=3 142 B11R1.86 O=C(O)CC1=CC=CN=C1Cl C10465 [0,0,0,0,1,0|2,0,1]=4 143 B11R1.86 O=C(O)CC1=NC=CC=C1O H10790 [0,0,0,0,1,0|1,0,1]=3 144 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 F52641 [0,0,0,0,0,1|1,0,2]=4 145 B13R1.158 O=C(O)CCOC1=C(F)C=CC=C1 F51991 [0,0,0,0,0,1|1,0,2]=4 146 B13R1.158 O=C(O)C\C=C\C1=C(F)C=CC=C1 F65412 [0,0,0,0,0,1|1,0,0]=2 147 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [2,0,0,0,0,0|0,0,2]=4 148 B12R1.121 COC1=C(CCC=O)C=CC=C1 M52790 [1,1,0,0,0,0|0,0,2]=4 149 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 H64577 [1,1,0,0,0,0|1,0,0]=3 150 B12R1.21 CC1=CC=C(C=CC(=O)O)C=C1 T52428 [1,1,0,0,0,0|0,0,0]=2 151 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 T39588 [1,1,0,0,0,0|0,0,0]=2 152 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 A50056 [1,1,0,0,0,0|0,0,2]=4 153 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 A49317 [1,1,0,0,0,0|1,0,1]=4 154 B12R1.21 NC1=NC=C(\C=C\C(=O)O)C=C1 A48825 [1,1,0,0,0,0|1,0,0]=3 155 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 C50769 [1,1,0,0,0,0|0,0,2]=4 156 B12R1.21 O=C(O)C=CC1=CC=C(Br)C=C1 B39566 [1,1,0,0,0,0|0,0,0]=2 157 B12R1.21 O=C(O)C=CC1=CC=C(Cl)C=C1 C39568 [1,1,0,0,0,0|0,0,0]=2 158 B12R1.21 O=C(O)C=CC1=CN=C(Br)C=C1 B47990 [1,1,0,0,0,0|1,0,0]=3 159 B12R1.21 O=C(O)C=CC1=NC=C(F)C=C1 F38916 [1,1,0,0,0,0|1,0,0]=3 160 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C51922 [1,1,0,0,0,0|0,0,2]=4 161 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F51936 [1,1,0,0,0,0|0,0,2]=4 162 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 K51958 [1,1,0,0,0,0|0,0,2]=4 163 B12R1.21 O=[N+]([O-])C=CC1=CC=C(O)C=C1 N48495 [1,1,0,0,0,0|1,0,1]=4 164 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(Br)C=C1 B68926 [1,1,0,0,0,0|1,0,1]=4 165 B12R1.21 OB(O)\C=C\C1=CC=C(Cl)C=C1 C2298 [1,1,0,0,0,0|1,0,1]=4 166 B12R1.21 OB(O)\C=C\C1=CC=C(F)C=C1 F3384 [1,1,0,0,0,0|1,0,1]=4 167 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M53792 [1,1,0,0,0,0|0,0,2]=4 168 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [1,1,0,0,0,0|0,0,2]=4 169 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [1,1,0,0,0,0|1,0,1]=4 170 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [1,1,0,0,0,0|1,0,1]=4 171 B12R1.27 O=C(CO)OCC1=CC=CC=C1 B22937 [1,1,0,0,0,0|1,0,1]=4 172 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B39587 [1,1,0,0,0,0|0,0,1]=3 173 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O P69450 [1,1,0,0,0,0|1,0,1]=4 174 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O M62826 [1,1,0,0,0,0|1,0,0]=3 175 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [1,1,0,0,0,0|0,0,2]=4 176 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [1,1,0,0,0,0|0,0,2]=4 177 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [1,1,0,0,0,0|0,0,2]=4 178 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [1,1,0,0,0,0|0,0,2]=4 179 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [1,1,0,0,0,0|0,0,2]=4 180 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 P52545 [1,1,0,0,0,0|2,0,0]=4 181 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [1,1,0,0,0,0|1,0,1]=4 182 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M52117 [1,1,0,0,0,0|1,0,1]=4 183 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [1,1,0,0,0,0|0,0,2]=4 184 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [1,1,0,0,0,0|0,0,2]=4 185 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [1,1,0,0,0,0|0,0,2]=4 186 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [1,1,0,0,0,0|0,0,2]=4 187 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [1,1,0,0,0,0|0,0,2]=4 188 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [1,1,0,0,0,0|0,0,2]=4 189 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [1,1,0,0,0,0|0,0,2]=4 190 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 S52053 [1,1,0,0,0,0|0,0,2]=4 191 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 M52805 [1,1,0,0,0,0|0,0,2]=4 192 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 T69043 [1,1,0,0,0,0|1,0,1]=4 193 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 M66326 [1,1,0,0,0,0|0,0,0]=2 194 B12R1.226 O=C(O)C=CC1=CC=CC(Cl)=C1 C39567 [1,1,0,0,0,0|0,0,0]=2 195 B12R1.226 O=C(O)C=CC1=CC=CC(I)=C1 K51272 [1,1,0,0,0,0|0,0,0]=2 196 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H67695 [1,1,0,0,0,0|0,0,2]=4 197 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B51889 [1,1,0,0,0,0|0,0,2]=4 198 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 C51921 [1,1,0,0,0,0|0,0,2]=4 199 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F51935 [1,1,0,0,0,0|0,0,2]=4 200 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 B63813 [1,1,0,0,0,0|1,0,1]=4 201 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 F48670 [1,1,0,0,0,0|1,0,1]=4 202 B12R1.226 O=[N+]([O-])C=CC1=CC=CC(F)=C1 F47997 [1,1,0,0,0,0|1,0,1]=4 203 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(F)=C1 F62637 [1,1,0,0,0,0|1,0,1]=4 204 B12R1.891 O=S(=O)(Cl)\C=C\C1=CC=CC=C1 P48606 [1,1,0,0,0,0|1,0,1]=4 205 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 M64892 [0,1,0,0,1,0|0,0,1]=3 206 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 M69051 [0,1,0,0,1,0|1,0,1]=4 207 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 M66295 [0,1,0,0,1,0|1,0,1]=4 208 B12R1.75 N#CC1=C(CC(=O)O)C=CC=C1 C37989 [0,1,0,0,1,0|1,0,1]=4 209 B12R1.75 NCC1=C(CC(=O)O)C=CC=C1 A69642 [0,1,0,0,1,0|1,0,1]=4 210 B12R1.75 O=C(O)CC1=C(CCl)C=CC=C1 C51930 [0,1,0,0,1,0|1,0,1]=4 211 B12R1.75 O=CC1=C(CC(=O)O)C=CC=C1 F66585 [0,1,0,0,1,0|0,0,2]=4 212 B12R1.124 C[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 C51918 [0,1,0,0,1,0|1,0,1]=4 213 B12R1.124 NC1=C(C(=O)C(=O)[O-])C=CC=C1 S49482 [0,1,0,0,1,0|1,0,1]=4 214 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 A49337 [0,1,0,0,1,0|0,0,1]=3 215 B12R1.124 N[C@H](C(=O)O)C1=C(Cl)C=CC=C1 A39505 [0,1,0,0,1,0|1,0,1]=4 216 B12R1.124 O=C(O)[C@@H](O)C1=C(Cl)C=CC=C1 C48667 [0,1,0,0,1,0|1,0,1]=4 217 B12R1.124 O=C(O)[C@H](Br)C1=C(Cl)C=CC=C1 B39471 [0,1,0,0,1,0|1,0,1]=4 218 B12R1.124 O=C(O)[C@H](O)C1=C(Cl)C=CC=C1 C67488 [0,1,0,0,1,0|1,0,1]=4 219 B12R1.124 O=C(O)[C@H](O)C1=C(F)C=CC=C1 F61964 [0,1,0,0,1,0|1,0,1]=4 220 B12R1.127 CC1=C(CC(=O)O)C=C(Br)C=C1 B51909 [0,1,0,0,1,0|1,0,1]=4 221 B12R1.127 CC1=CC(CC(=O)O)=C(C)C=C1 D39606 [0,1,0,0,1,0|1,0,1]=4 222 B12R1.127 NC1=CC(CC(=O)O)=C(F)C=C1 A48972 [0,1,0,0,1,0|1,0,1]=4 223 B12R1.127 O=C(O)CC1=C(Br)C=CC(Br)=C1 D22214 [0,1,0,0,1,0|1,0,1]=4 224 B12R1.127 O=C(O)CC1=C(Br)C=CC(Cl)=C1 B48127 [0,1,0,0,1,0|1,0,1]=4 225 B12R1.127 O=C(O)CC1=C(Br)C=CC(F)=C1 B48137 [0,1,0,0,1,0|1,0,1]=4 226 B12R1.127 O=C(O)CC1=C(Cl)C=CC(Br)=C1 B37983 [0,1,0,0,1,0|1,0,1]=4 227 B12R1.127 O=C(O)CC1=C(Cl)C=CC(Cl)=C1 D48161 [0,1,0,0,1,0|1,0,1]=4 228 B12R1.127 O=C(O)CC1=C(Cl)C=CC(F)=C1 C48169 [0,1,0,0,1,0|1,0,1]=4 229 B12R1.127 O=C(O)CC1=C(F)C=CC(Br)=C1 B48140 [0,1,0,0,1,0|1,0,1]=4 230 B12R1.127 O=C(O)CC1=C(F)C=CC(Cl)=C1 C38017 [0,1,0,0,1,0|1,0,1]=4 231 B12R1.127 O=C(O)CC1=C(I)C=CC(Br)=C1 B67200 [0,1,0,0,1,0|1,0,1]=4 232 B12R1.127 O=C(O)CC1=C(O)C=CC(Br)=C1 B48648 [0,1,0,0,1,0|0,0,1]=3 233 B12R1.224 CC1=C(F)C=CC=C1CC(=O)O F51950 [0,1,0,0,1,0|1,0,1]=4 234 B12R1.224 CC1=CC=CC(CC(=O)O)=C1C D52800 [0,1,0,0,1,0|1,0,1]=4 235 B12R1.224 O=C(O)CC1=CC=CC(Br)=C1F B37054 [0,1,0,0,1,0|1,0,1]=4 236 B12R1.224 O=C(O)CC1=CC=CC(Cl)=C1F C48173 [0,1,0,0,1,0|1,0,1]=4 237 B12R1.224 O=C(O)CC1=CC=CC(F)=C1Br B48141 [0,1,0,0,1,0|1,0,1]=4 238 B12R1.224 O=C(O)CC1=CC=CC(F)=C1Cl C48171 [0,1,0,0,1,0|1,0,1]=4 239 B12R1.224 O=C(O)CC1=CC=CC(F)=C1F D48190 [0,1,0,0,1,0|1,0,1]=4 240 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 F51952 [0,1,0,0,1,0|1,0,1]=4 241 B12R1.233 CC1=CC(C)=C(CC(=O)O)C=C1 D52798 [0,1,0,0,1,0|1,0,1]=4 242 B12R1.233 CC1=CC(F)=C(CC(=O)O)C=C1 F51945 [0,1,0,0,1,0|1,0,1]=4 243 B12R1.233 O=C(O)CC1=C(Br)C=C(Br)C=C1 D48117 [0,1,0,0,1,0|1,0,1]=4 244 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 B48126 [0,1,0,0,1,0|1,0,1]=4 245 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 B48142 [0,1,0,0,1,0|1,0,1]=4 246 B12R1.233 O=C(O)CC1=C(Cl)C=C(Br)C=C1 B48128 [0,1,0,0,1,0|1,0,1]=4 247 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 D68786 [0,1,0,0,1,0|1,0,1]=4 248 B12R1.233 O=C(O)CC1=C(Cl)C=C(F)C=C1 C48172 [0,1,0,0,1,0|1,0,1]=4 249 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 B48143 [0,1,0,0,1,0|1,0,1]=4 250 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 C48170 [0,1,0,0,1,0|1,0,1]=4 251 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 D69394 [0,1,0,0,1,0|1,0,1]=4 252 B12R1.233 O=C(O)CC1=C(F)C=C(O)C=C1 F48685 [0,1,0,0,1,0|1,0,1]=4 253 B12R1.1009 CC1=CC=CC(C)=C1CC(=O)O D52807 [0,1,0,0,1,0|1,0,1]=4 254 B12R1.1009 O=C(O)CC1=C(Br)C=CC=C1Br D48118 [0,1,0,0,1,0|1,0,1]=4 255 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1Cl D68787 [0,1,0,0,1,0|1,0,1]=4 256 B14R1.837 COC(=O)CCCC1=C(O)C=CC=C1 M54799 [0,1,0,0,0,1|0,0,2]=4 257 B14R1.3135 COC1=C(C[C@H](N)C(=O)O)C=CC=C1 A52981 [0,2,0,0,0,0|0,0,2]=4 258 B14R1.4522 O=C(O)CCC1=C(C(=O)O)C=CC=C1 C52468 [0,2,0,0,0,0|0,0,2]=4 259 B14R1.4522 O=C(O)COC1=C(C(=O)O)C=CC=C1 C64819 [0,2,0,0,0,0|1,0,1]=4 260 B14R1.4522 O=C(O)\C=C\C1=C([N+](=O)[O-])C=CC=C1 N61791 [0,2,0,0,0,0|0,0,1]=3 261 B14R1.6054 O=C(O)C=CC1=C(F)C=CC(F)=C1F T50777 [0,2,0,0,0,0|1,0,0]=3 262 B14R1.6059 O=C(O)C=CC1=CC=C(F)C(F)=C1F T50776 [0,2,0,0,0,0|1,0,0]=3 263 B14R1.6059 O=C(O)\C=C\C1=C(O)C(O)=C(O)C=C1 T0630 [0,2,0,0,0,0|0,0,0]=2 264 B14R1.727 COC(=O)CCC1=C(O)C=C(O)C=C1 M52858 [0,2,0,0,0,0|0,0,2]=4 265 B14R1.587 COC(=O)CC(=O)C1=C(Br)C=CC=C1 M54019 [0,2,0,0,0,0|1,0,1]=4 266 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 E52853 [0,2,0,0,0,0|1,0,1]=4 267 B14R1.2335 CSC1=CC(CCC(=O)O)=C(O)C=C1 H67028 [0,2,0,0,0,0|0,0,2]=4 268 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 C47725 [0,0,1,1,0,0|1,0,1]=4 269 B12R1.56 O=CC1=C(F)C=CC(C(=O)O)=C1 F47806 [0,0,1,1,0,0|2,0,0]=4 270 B12R1.56 O=CC1=C(O)C=CC(C(=O)O)=C1 F68325 [0,0,1,1,0,0|1,0,0]=3 271 B12R1.258 CC(=O)C1=CC=CC(C(=O)O)=C1 X69118 [0,0,1,1,0,0|0,0,2]=4 272 B12R1.258 C[C@H](O)C1=CC=CC(C(=O)O)=C1 H49912 [0,0,1,1,0,0|0,0,2]=4 273 B12R1.258 NC(=O)C1=CC=CC(C(=O)O)=C1 C48496 [0,0,1,1,0,0|1,0,1]=4 274 B12R1.258 O=C(O)C1=CC(B(O)O)=CC=C1 C2160 [0,0,1,1,0,0|2,0,0]=4 275 B12R1.453 O=C(O)C1=C(F)C=CC(CO)=C1 F67155 [0,0,1,1,0,0|1,0,1]=4 276 B12R1.453 O=CC1=CC(C(=O)O)=C(F)C=C1 F67123 [0,0,1,1,0,0|1,0,1]=4 277 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 B39635 [1,0,0,1,0,0|2,0,0]=4 278 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 B1013 [1,0,0,1,0,0|2,0,0]=4 279 B12R2.24 FC1=CC2=CC=CC=C2C=C1 F53501 [1,0,0,1,0,0|2,0,0]=4 280 B12R2.24 IC1=CC2=CC=CC=C2C=C1 I38722 [1,0,0,1,0,0|2,0,0]=4 281 B12R2.24 NC1=CC2=CC=CC=C2C=C1 N65553 [1,0,0,1,0,0|2,0,0]=4 282 B12R2.24 NC1=NC2=CC=CC=C2C=C1 Q9616 [1,0,0,1,0,0|2,0,0]=4 283 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 N37672 [1,0,0,1,0,0|2,0,0]=4 284 B12R2.24 O=C1C=CC2=CC=CNC2=N1 N0688 [1,0,0,1,0,0|2,0,0]=4 285 B12R2.24 O=C1COC2=C(C=CC=C2)O1 B62111 [1,0,0,1,0,0|1,0,1]=4 286 B12R2.24 OC1=CC2=CC=CC=C2C=N1 H8153 [1,0,0,1,0,0|2,0,0]=4 287 B12R2.24 OC1=CC2=CC=CC=C2N=C1 H32203 [1,0,0,1,0,0|2,0,0]=4 288 B12R2.24 OC1=CC2=CC=NC=C2C=C1 H3875 [1,0,0,1,0,0|2,0,0]=4 289 B12R2.24 OC1=CC2=CN=CC=C2C=C1 Q3876 [1,0,0,1,0,0|2,0,0]=4 290 B12R2.24 OC1=CC2=NC=CC=C2C=C1 Q67940 [1,0,0,1,0,0|2,0,0]=4 291 B12R2.24 [Mg+]C1=CC2=CC=CC=C2C=C1 N31715 [1,0,0,1,0,0|2,0,0]=4 292 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 B50747 [1,0,0,1,0,0|1,0,1]=4 293 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 I38005 [1,0,0,1,0,0|1,0,0]=3 294 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 B50964 [1,0,0,1,0,0|0,0,0]=2 295 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 B37929 [1,0,0,1,0,0|0,1,0]=3 296 B12R2.32 O=CC1=CC2=C(C=CC=N2)O1 F10728 [1,0,0,1,0,0|1,0,0]=3 297 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 P24641 [1,0,0,1,0,0|2,0,0]=4 298 B12R2.32 O=CC1=CC2=C(N=CC=C2)N1 P1530 [1,0,0,1,0,0|2,0,0]=4 299 B12R2.32 O=CC1=CC2=CC=CN=C2S1 T47760 [1,0,0,1,0,0|1,1,0]=4 300 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 B23090 [1,0,0,1,0,0|2,0,0]=4 301 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 B9216 [1,0,0,1,0,0|1,1,0]=4 302 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 M9932 [1,0,0,1,0,0|1,0,1]=4 303 B12R2.32 OCC1=CC2=C(C=CC=C2)S1 B51662 [1,0,0,1,0,0|0,1,1]=4 304 B12R2.32 OCC1=NC2=C(C=CC=C2)O1 B48459 [1,0,0,1,0,0|1,0,1]=4 305 B12R2.196 CN1C=CC2=C(O)C=CC=C21 M60832 [1,0,0,1,0,0|2,0,0]=4 306 B12R2.196 O=C1CCC2=C1C=CC=C2O H38442 [1,0,0,1,0,0|0,0,2]=4 307 B12R2.196 O=C1NCC2=C1C=CC=C2O H48467 [1,0,0,1,0,0|1,0,1]=4 308 B12R2.1081 BrC1=CC=CC2=NC=CC=C12 B1008 [1,0,0,1,0,0|2,0,0]=4 309 B12R2.1081 BrC1=CC=CC2=NC=CC=C12 B50848 [1,0,0,1,0,0|2,0,0]=4 310 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 M53836 [1,0,0,1,0,0|2,0,0]=4 311 B12R2.1081 ClC1=CC=CC2=NC=CC=C12 C24659 [1,0,0,1,0,0|2,0,0]=4 312 B12R2.1081 FC1=CC=CC2=CC=CC=C12 F60518 [1,0,0,1,0,0|2,0,0]=4 313 B12R2.1081 IC1=CC=CC2=CC=CC=C12 K53502 [1,0,0,1,0,0|2,0,0]=4 314 B12R2.1081 NC1=CC=CC2=C1C=CCO2 C51750 [1,0,0,1,0,0|1,0,1]=4 315 B12R2.1081 OC1=CC=CC2=CC=NC=C12 Q3877 [1,0,0,1,0,0|2,0,0]=4 316 B12R2.1081 OC1=CC=CC2=CN=CC=C12 H51161 [1,0,0,1,0,0|2,0,0]=4 317 B12R2.1081 OC1=CC=CC2=NC=CC=C12 H4784 [1,0,0,1,0,0|1,0,0]=3 318 B12R2.1081 OC1=CC=CC2=NC=CN=C12 Q47865 [1,0,0,1,0,0|2,0,0]=4 319 B12R2.1081 OC1=CN=CC2=CC=CC=C12 H6069 [1,0,0,1,0,0|2,0,0]=4 320 B12R2.1081 OC1=NC=CC2=CC=CC=C21 H38444 [1,0,0,1,0,0|2,0,0]=4 321 B12R2.1081 [Mg+]C1=CC=CC2=CC=CC=C12 N31714 [1,0,0,1,0,0|2,0,0]=4 322 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 B62427 [1,0,0,1,0,0|1,0,1]=4 323 B12R2.202 CC1=CC2=C(O)C=CC=C2N1 M23244 [0,0,0,1,1,0|2,0,0]=4 324 B12R2.202 NC1=NC2=C(C=CC=C2O)O1 H45228 [0,0,0,1,1,0|2,0,0]=4 325 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 H48455 [0,0,0,1,1,0|1,0,1]=4 326 B12R2.252 O=C(O)C1=CC2=C(C=CS2)S1 T44620 [0,0,0,1,1,0|1,1,0]=4 327 B14R2.256 CC1=C(C2=NC=C(Br)O2)C=CC=C1 B66008 [0,0,0,1,0,1|2,0,0]=4 328 B14R2.256 O=C1NN=C(C2=C(F)C=CC=C2)O1 F47595 [0,0,0,1,0,1|2,0,0]=4 329 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 I38816 [0,0,0,1,0,1|1,0,0]=3 330 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)S1 B53803 [0,0,0,1,0,1|0,1,0]=3 331 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 B37433 [0,0,0,1,0,1|1,0,1]=4 332 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 N64544 [0,0,0,1,0,1|2,0,0]=4 333 B14R2.781 CC(=O)C1=NC2=CC=CC=C2N=C1 Q63133 [0,0,0,1,0,1|2,0,0]=4 334 B14R2.781 NC(=O)C1=CC2=CC=CC=C2C=C1 N69496 [0,0,0,1,0,1|2,0,0]=4 335 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 I3901 [0,0,0,1,0,1|1,0,0]=3 336 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 Q9606 [0,0,0,1,0,1|1,0,0]=3 337 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 Q53568 [0,0,0,1,0,1|1,0,0]=3 338 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=C1 Q4615 [0,0,0,1,0,1|2,0,0]=4 339 B14R2.781 O=C(O)C1=CC2=CC=CN=C2N=C1 N50816 [0,0,0,1,0,1|2,0,0]=4 340 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=C1 Q9590 [0,0,0,1,0,1|2,0,0]=4 341 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=N1 N7542 [0,0,0,1,0,1|2,0,0]=4 342 B14R2.781 O=C(O)C1=CC2=CC=NC=C2N=C1 N64834 [0,0,0,1,0,1|2,0,0]=4 343 B14R2.781 O=C(O)C1=CC2=NC=CC=C2C=C1 Q16429 [0,0,0,1,0,1|2,0,0]=4 344 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 Q67454 [0,0,0,1,0,1|1,0,0]=3 345 B14R2.781 O=C(O)C1=NC2=CC=CN=C2C=C1 N12774 [0,0,0,1,0,1|2,0,0]=4 346 B14R2.781 O=C(O)C1=NC2=CC=NC=C2C=C1 N22131 [0,0,0,1,0,1|2,0,0]=4 347 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 N50815 [0,0,0,1,0,1|2,0,0]=4 348 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 C37839 [0,0,0,1,0,1|0,0,2]=4 349 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 D9562 [0,0,0,1,0,1|0,0,2]=4 350 B14R2.8032 CC(=O)C1=CNC2=C(Br)C=CC=C12 B53777 [0,0,0,1,0,1|2,0,0]=4 351 B14R2.8032 CC1=CC=CC2=C(C(=O)O)C=NN12 M51403 [0,0,0,1,0,1|2,0,0]=4 352 B14R2.8032 CC1=CC=CC2=C1NC=C2C(=O)O M53945 [0,0,0,1,0,1|1,0,0]=3 353 B14R2.8032 O=C(O)C1=C2C=CC=C(Br)N2N=C1 B11336 [0,0,0,1,0,1|2,0,0]=4 354 B14R2.8032 O=C(O)C1=CNC2=C(Cl)C=CC=C12 C25787 [0,0,0,1,0,1|1,0,0]=3 355 B14R2.8032 O=C(O)C1=CNC2=C(F)C=CC=C12 F36954 [0,0,0,1,0,1|1,0,0]=3 356 B14R2.8032 O=C(O)C1=NNC2=C(Br)C=CC=C12 B14476 [0,0,0,1,0,1|2,0,0]=4 357 B14R2.8032 O=C(O)C1=NNC2=C(Cl)C=CC=C12 C47582 [0,0,0,1,0,1|2,0,0]=4 358 B14R2.8032 O=C(O)C1=NNC2=C(F)C=CC=C12 F47594 [0,0,0,1,0,1|2,0,0]=4 359 B14R2.2 O=C(O)CC1=C2C=CC=CC2=CO1 B53806 [0,1,0,1,0,0|0,0,1]=3 360 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 B24693 [0,1,0,1,0,0|0,0,1]=3 361 B14R2.2 O=C(O)CC1=NNC2=C1C=CC=C2 K51377 [0,1,0,1,0,0|1,0,1]=4 362 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 B51206 [0,1,0,1,0,0|0,0,1]=3 363 B14R2.450 CC1=C(B(O)O)OC2=C1C=CC=C2 M32251 [0,1,0,1,0,0|1,0,1]=4 364 B14R2.450 CC1=C(C(=O)O)NC2=C1C=CC=C2 M16318 [0,1,0,1,0,0|1,0,0]=3 365 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 M22616 [0,1,0,1,0,0|0,0,0]=2 366 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 M20601 [0,1,0,1,0,0|1,0,0]=3 367 B14R2.450 NC(=O)C1=C(N)C2=C(C=CC=C2)O1 A51383 [0,1,0,1,0,0|1,0,0]=3 368 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 A47894 [0,1,0,1,0,0|1,1,0]=4 369 B14R2.450 O=C(O)C1=C(Br)C2=C(C=CC=C2)N1 B50864 [0,1,0,1,0,0|1,0,0]=3 370 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)O1 C50779 [0,1,0,1,0,0|0,0,0]=2 371 B14R2.450 O=C(O)C1=C(Cl)C2=C(N=CC=C2)S1 C39052 [0,1,0,1,0,0|1,1,0]=4 372 B14R2.1073 COC1=C2C=CC(Cl)=NC2=CC=C1 C53783 [0,1,0,1,0,0|2,0,0]=4 373 B14R2.1073 COC1=CC=CC2=C1C=CC(=O)N2 M53923 [0,1,0,1,0,0|1,0,0]=3 374 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)N2 M21986 [0,1,0,1,0,0|1,0,0]=3 375 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 M21818 [0,1,0,1,0,0|0,1,0]=3 376 B14R2.7969 CC1=CC=CC2=C1NC(C(=O)O)=C2 M21988 [0,1,0,1,0,0|1,0,0]=3 377 B14R2.7969 CC1=CC=CC2=NC(C(=O)O)=CN12 M26199 [0,1,0,1,0,0|2,0,0]=4 378 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 B37796 [0,1,0,1,0,0|1,0,0]=3 379 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2S1 B12683 [0,1,0,1,0,0|0,1,0]=3 380 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2N1 B47576 [0,1,0,1,0,0|2,0,0]=4 381 B14R2.7969 O=C(O)C1=CC2=C(C=NC=C2F)S1 F47408 [0,1,0,1,0,0|1,1,0]=4 382 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2S1 C22565 [0,1,0,1,0,0|0,1,0]=3 383 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 C1667 [0,1,0,1,0,0|2,0,0]=4 384 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 F23500 [0,1,0,1,0,0|1,0,0]=3 385 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Cl)=NC=C2 C25890 [0,1,0,1,0,0|2,0,0]=4 386 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 H51211 [0,1,0,1,0,0|1,0,0]=3 387 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=NC=C2 B47389 [0,1,0,1,0,0|1,1,0]=4 388 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2N1 B50868 [0,1,0,1,0,0|1,0,0]=3 389 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2O1 B9974 [0,1,0,1,0,0|0,0,0]=2 390 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2S1 B12710 [0,1,0,1,0,0|0,1,0]=3 391 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 C50879 [0,1,0,1,0,0|1,0,0]=3 392 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 C26344 [0,1,0,1,0,0|0,1,0]=3 393 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 F50889 [0,1,0,1,0,0|1,0,0]=3 394 B14R2.7969 O=C(O)C1=CC2=NC=CC(Cl)=C2S1 C12289 [0,1,0,1,0,0|1,1,0]=4 395 B14R2.7969 O=C(O)C1=CN2C(Br)=CC=CC2=N1 B7537 [0,1,0,1,0,0|2,0,0]=4 396 B14R2.7969 O=C(O)C1=CN2C=CC=C(Br)C2=N1 B14171 [0,1,0,1,0,0|2,0,0]=4 397 B14R2.7969 O=C(O)C1=NC2=C(Br)C=CC=C2S1 B13967 [0,1,0,1,0,0|1,1,0]=4 398 B14R2.7969 O=C(O)C1=NC2=C(C=CC=C2F)S1 F61527 [0,1,0,1,0,0|1,1,0]=4 399 B14R2.7969 O=C(O)C1=NC2=CC=CC(Br)=C2S1 B13969 [0,1,0,1,0,0|1,1,0]=4 400 B14R2.7969 O=C(O)C1=NN2C(Br)=CC=CC2=C1 B14200 [0,1,0,1,0,0|2,0,0]=4 401 B14R2.7969 O=C(O)C1=NN2C=CC=C(Br)C2=C1 B14202 [0,1,0,1,0,0|2,0,0]=4 402 B14R2.7969 O=C(O)C1=NN2C=CC=C(Cl)C2=C1 C60465 [0,1,0,1,0,0|2,0,0]=4 403 B14R2.7969 O=C(O)[C@H]1CC2=C(C1)C(O)=CC=C2 H52463 [0,1,0,1,0,0|0,0,2]=4 404 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 M21987 [0,1,0,1,0,0|1,0,0]=3 405 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 M20000 [0,1,0,1,0,0|0,1,0]=3 406 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 M53943 [0,1,0,1,0,0|1,0,0]=3 407 B14R2.4529 CC1=CN2C=C(C(=O)O)N=C2C=C1 M51401 [0,1,0,1,0,0|2,0,0]=4 408 B14R2.4529 CC1=NC2=C(C=C1)C=C(C(=O)O)N2 M13886 [0,1,0,1,0,0|2,0,0]=4 409 B14R2.4529 NC(=O)C1=CC2=C(C=CC(Cl)=C2)N1 C38242 [0,1,0,1,0,0|2,0,0]=4 410 B14R2.4529 NC1=CC2=C(C=C1)OC(C(=O)O)=C2 A66229 [0,1,0,1,0,0|0,0,0]=2 411 B14R2.4529 NC1=CC2=C(C=C1)SC(C(=O)O)=C2 A51196 [0,1,0,1,0,0|0,1,0]=3 412 B14R2.4529 NC1=CC2=C(N=C1)NC(C(=O)O)=C2 A13885 [0,1,0,1,0,0|2,0,0]=4 413 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 B13084 [0,1,0,1,0,0|1,0,0]=3 414 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 B60538 [0,1,0,1,0,0|0,0,0]=2 415 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 B12709 [0,1,0,1,0,0|0,1,0]=3 416 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 C50770 [0,1,0,1,0,0|0,1,0]=3 417 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 F4742 [0,1,0,1,0,0|1,0,0]=3 418 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 F63917 [0,1,0,1,0,0|0,0,0]=2 419 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 H51210 [0,1,0,1,0,0|1,0,0]=3 420 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 B4773 [0,1,0,1,0,0|1,0,0]=3 421 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 B50778 [0,1,0,1,0,0|0,0,0]=2 422 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 B12681 [0,1,0,1,0,0|0,1,0]=3 423 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=N2)N1 B14108 [0,1,0,1,0,0|2,0,0]=4 424 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 C9530 [0,1,0,1,0,0|1,0,0]=3 425 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 C50780 [0,1,0,1,0,0|0,0,0]=2 426 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=N2)N1 C12532 [0,1,0,1,0,0|2,0,0]=4 427 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=N2)N1 C4191 [0,1,0,1,0,0|2,0,0]=4 428 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 H51209 [0,1,0,1,0,0|1,0,0]=3 429 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)O1 H51002 [0,1,0,1,0,0|0,0,0]=2 430 B14R2.4529 O=C(O)C1=CC2=C(N=C(Cl)C=C2)N1 C4190 [0,1,0,1,0,0|2,0,0]=4 431 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 B1666 [0,1,0,1,0,0|2,0,0]=4 432 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 B17676 [0,1,0,1,0,0|2,0,0]=4 433 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2S1 B17936 [0,1,0,1,0,0|1,1,0]=4 434 B14R2.4529 O=C(O)C1=CC2=CC(Br)=NC=C2N1 B47577 [0,1,0,1,0,0|2,0,0]=4 435 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2N1 C4188 [0,1,0,1,0,0|2,0,0]=4 436 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 F12411 [0,1,0,1,0,0|2,0,0]=4 437 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2N1 B7995 [0,1,0,1,0,0|2,0,0]=4 438 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 C7929 [0,1,0,1,0,0|2,0,0]=4 439 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=C1 B61317 [0,1,0,1,0,0|2,0,0]=4 440 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=N1 B7464 [0,1,0,1,0,0|2,0,0]=4 441 B14R2.4529 O=C(O)C1=CN2C=C(Cl)C=CC2=N1 C47583 [0,1,0,1,0,0|2,0,0]=4 442 B14R2.4529 O=C(O)C1=CN2C=C(F)C=CC2=N1 F47596 [0,1,0,1,0,0|2,0,0]=4 443 B14R2.4529 O=C(O)C1=CN2C=C(O)C=CC2=N1 H63800 [0,1,0,1,0,0|2,0,0]=4 444 B14R2.4529 O=C(O)C1=CN2C=CC(Br)=CC2=N1 B11318 [0,1,0,1,0,0|2,0,0]=4 445 B14R2.4529 O=C(O)C1=CN2C=CC(F)=CC2=N1 F47597 [0,1,0,1,0,0|2,0,0]=4 446 B14R2.4529 O=C(O)C1=NC2=C(C=C(Br)C=C2)S1 B13968 [0,1,0,1,0,0|1,1,0]=4 447 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)N1 B5840 [0,1,0,1,0,0|2,0,0]=4 448 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)S1 B13966 [0,1,0,1,0,0|1,1,0]=4 449 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Cl)=C2)S1 C60432 [0,1,0,1,0,0|1,1,0]=4 450 B14R2.4529 O=C(O)C1=NN2C=C(Br)C=CC2=C1 B1718 [0,1,0,1,0,0|2,0,0]=4 451 B14R2.4529 O=C(O)C1=NN2C=C(Cl)C=CC2=C1 C5621 [0,1,0,1,0,0|2,0,0]=4 452 B14R2.4529 O=C(O)C1=NN2C=CC(Br)=CC2=C1 B11335 [0,1,0,1,0,0|2,0,0]=4 453 B14R2.4529 OB(O)C1=CC2=C(C=CC(Br)=C2)O1 B48210 [0,1,0,1,0,0|1,0,1]=4 454 B14R2.4529 OB(O)C1=CC2=C(C=CC(Cl)=C2)O1 C48211 [0,1,0,1,0,0|1,0,1]=4 455 B14R2.4529 OB(O)C1=CC2=C(C=CC(F)=C2)O1 F39049 [0,1,0,1,0,0|1,0,1]=4 456 B14R2.29365 O=C1C=CC2=C(C=C(O)C=C2O)O1 D50999 [0,1,0,1,0,0|0,0,0]=2 457 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 M17396 [0,1,0,1,0,0|1,0,0]=3 458 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)S1 M53804 [0,1,0,1,0,0|0,1,0]=3 459 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)N1 M12534 [0,1,0,1,0,0|2,0,0]=4 460 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)S1 M13607 [0,1,0,1,0,0|1,1,0]=4 461 B14R2.972 COC(=O)C1=CC2=C(N=CC=C2)N1 M3314 [0,1,0,1,0,0|2,0,0]=4 462 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)N1 M51395 [0,1,0,1,0,0|2,0,0]=4 463 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)O1 M51214 [0,1,0,1,0,0|1,0,0]=3 464 B14R2.972 COC(=O)C1=NN2C=CC=CC2=C1 P3313 [0,1,0,1,0,0|2,0,0]=4 465 B14R2.1801 COC1=CC2=CC=CC(O)=C2C=C1 M54342 [0,1,0,1,0,0|1,0,0]=3 466 B14R2.1801 COC1=CC=C2C([Mg+])=CC=CC2=C1 M31720 [0,1,0,1,0,0|2,0,0]=4 467 B14R2.1801 N#CC1=CC=C2C(O)=CC=CC2=N1 H10703 [0,1,0,1,0,0|2,0,0]=4 468 B14R2.8751 CC1=C2C=CC(=O)OC2=C(O)C=C1 M64560 [0,1,0,1,0,0|1,0,0]=3 469 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [1,0,0,0,1,0|2,0,0]=4 470 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [1,0,0,0,1,0|2,0,0]=4 471 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [1,0,0,0,1,0|1,0,1]=4 472 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [1,0,0,0,1,0|2,0,0]=4 473 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [1,0,0,0,1,0|1,0,1]=4 474 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [1,0,0,0,1,0|1,0,1]=4 475 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [1,0,0,0,1,0|1,0,1]=4 476 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [1,0,0,0,1,0|1,0,1]=4 477 B10R1.66 O=C(O)\C=C\C1=CC=CO1 F24145 [1,0,0,0,1,0|1,0,0]=3 478 B10R1.66 O=C(O)\C=C\C1=CC=CS1 T16653 [1,0,0,0,1,0|1,0,0]=3 479 B10R1.66 O=C(O)\C=C\C1=COC=C1 F4978 [1,0,0,0,1,0|1,0,0]=3 480 B10R1.66 O=C(O)\C=C\C1=CSC=C1 T61269 [1,0,0,0,1,0|1,0,0]=3 481 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 B48708 [0,0,0,0,2,0|2,0,0]=4 482 B10R1.61 CC(=O)C1=C(C)C=CC=C1 T39529 [0,0,0,0,2,0|2,0,0]=4 483 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 C68333 [0,0,0,0,2,0|2,0,0]=4 484 B10R1.61 CC(=O)C1=C(F)C=CC=C1 F69325 [0,0,0,0,2,0|2,0,0]=4 485 B10R1.61 CC(=O)C1=C(I)C=CC=C1 K48750 [0,0,0,0,2,0|2,0,0]=4 486 B10R1.61 CC(=O)C1=C(N)C=CC=C1 A49645 [0,0,0,0,2,0|2,0,0]=4 487 B10R1.61 CC(=O)C1=C(O)C=NC=C1 H45819 [0,0,0,0,2,0|2,0,0]=4 488 B10R1.61 CC(=O)C1=NC=CC=C1O H37046 [0,0,0,0,2,0|2,0,0]=4 489 B10R1.61 CC1=C(C(=O)O)C=CC=C1 T69330 [0,0,0,0,2,0|1,0,0]=3 490 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M14576 [0,0,0,0,2,0|2,0,0]=4 491 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M45814 [0,0,0,0,2,0|2,0,0]=4 492 B10R1.61 CC1=C(C(=O)O)C=CN=C1 M14013 [0,0,0,0,2,0|2,0,0]=4 493 B10R1.61 CC1=C(C(=O)O)C=NC=C1 M4658 [0,0,0,0,2,0|2,0,0]=4 494 B10R1.61 CC1=CC=CN=C1C(=O)O M14577 [0,0,0,0,2,0|2,0,0]=4 495 B10R1.61 CC1=CC=CN=C1C(=O)O M62138 [0,0,0,0,2,0|2,0,0]=4 496 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 B61279 [0,0,0,0,2,0|2,0,0]=4 497 B10R1.61 NC(=O)C1=C(I)C=CC=C1 K45507 [0,0,0,0,2,0|2,0,0]=4 498 B10R1.61 NC(=O)C1=C(N)C=CC=C1 A64967 [0,0,0,0,2,0|2,0,0]=4 499 B10R1.61 NC(=O)C1=C(O)C=NC=C1 H63051 [0,0,0,0,2,0|2,0,0]=4 500 B10R1.61 NC1=C(C(=O)O)C=CC=N1 A12487 [0,0,0,0,2,0|2,0,0]=4 501 B10R1.61 NC1=C(C(=O)O)C=CN=C1 A1102 [0,0,0,0,2,0|2,0,0]=4 502 B10R1.61 NC1=C(C(=O)O)C=NC=C1 A4739 [0,0,0,0,2,0|2,0,0]=4 503 B10R1.61 NC1=CC=CN=C1C(=O)O A0472 [0,0,0,0,2,0|2,0,0]=4 504 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 K44672 [0,0,0,0,2,0|2,0,0]=4 505 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 B31223 [0,0,0,0,2,0|2,0,0]=4 506 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 B1556 [0,0,0,0,2,0|2,0,0]=4 507 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 C14305 [0,0,0,0,2,0|2,0,0]=4 508 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 C16032 [0,0,0,0,2,0|2,0,0]=4 509 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 C42250 [0,0,0,0,2,0|2,0,0]=4 510 B10R1.61 O=C(O)C1=C(F)C=CC=N1 F10405 [0,0,0,0,2,0|2,0,0]=4 511 B10R1.61 O=C(O)C1=C(F)C=CN=C1 F61354 [0,0,0,0,2,0|2,0,0]=4 512 B10R1.61 O=C(O)C1=C(F)C=NC=C1 F1912 [0,0,0,0,2,0|2,0,0]=4 513 B10R1.61 O=C(O)C1=C(I)C=CC=N1 K42258 [0,0,0,0,2,0|2,0,0]=4 514 B10R1.61 O=C(O)C1=C(O)C=NC=C1 H12635 [0,0,0,0,2,0|1,0,0]=3 515 B10R1.61 O=C(O)C1=CC=CN=C1Br B23274 [0,0,0,0,2,0|2,0,0]=4 516 B10R1.61 O=C(O)C1=CC=CN=C1Cl C22883 [0,0,0,0,2,0|2,0,0]=4 517 B10R1.61 O=C(O)C1=CC=CN=C1F F38458 [0,0,0,0,2,0|2,0,0]=4 518 B10R1.61 O=C(O)C1=CC=CNC1=S T69299 [0,0,0,0,2,0|1,1,0]=4 519 B10R1.61 O=C(O)C1=CNC=CC1=O H67947 [0,0,0,0,2,0|1,0,1]=4 520 B10R1.61 O=C(O)C1=NC=CC=C1O H25980 [0,0,0,0,2,0|1,0,0]=3 521 B10R1.61 OB(O)C1=C(O)C=CC=C1 H3736 [0,0,0,0,2,0|1,0,1]=4