0 B10R1.119 CC1=C(C(=C(C=C1)Cl)N)Cl PH011039 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.119 CC1=C(C(=CC=C1Cl)N)Cl CBR00888 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.119 CC1=C(C(=CC=C1F)O)Cl PH017188 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.119 CC1=C(C(=CC=C1N)Br)C CDS022788 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.119 CC1=C(C=CC(=C1Cl)O)Cl R426490 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.119 CC1=C(C=C[N+](=C1C)[O-])Cl T138479 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.119 CC1=C([N+](=CC=C1N)C)C S995037 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.119 CC1=CC=C(C(=C1C)Br)C T332577 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.119 CC1=CC=C(C(=C1C)N)N R228389 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.119 CC1=CC=C(C(=C1F)O)F CDS021693 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.119 CC1=CC=C(C(=C1N)C)N R750859 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.119 OC1=C(C(=CC=C1F)Cl)F CDS002898 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [1,0,0,0,0,0|2,1,0]=4 13 B9R1.3 CC1=C(C(=NC=N1)O)C CBR02089 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.3 CC1=C(C=CC=C1Br)F CDS003017 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.3 CC1=C(C=CC=C1O)Cl CDS003050 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.3 CC1=C([N+](=CC=C1)C)C S619205 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.3 CC1=CC=CC(=O)N1C T294608 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.3 CC1=CC=CC(=[N+]1C)C R255319 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.3 CC1=CC=CC(=[N+]1C)C S874248 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.3 CC1=NC=NC(=C1O)O S217778 [1,0,0,0,0,0|1,0,2]=4 22 B9R1.3 CN1C=CC=[N+](C1=O)C S139823 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.3 NC1=C(C(=NC=C1)I)O ADE000631 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.3 NC1=C(C=CC=C1I)O CDS007998 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.3 NC1=C(C=CC=C1O)O CDS003448 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.3 NC1=C(C=CC=C1O)O PH009922 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.3 NC1=CC=CC(=C1O)Br CDS020010 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.3 NC1=CC=CC(=C1O)Cl TMT00393 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.3 OC1=C(C(=CC=C1)Cl)F CDS003101 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.3 OC1=C(C=CN=C1I)Cl ADE000653 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [1,0,0,0,0,0|2,1,0]=4 39 B9R1.69 CC1=C(C=[N+](C=C1)[O-])C T161616 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.69 CC1=CC(=CC=C1N)N S442275 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.32 CC1=C(C(=C(C(=C1)Br)C)C)C S38084 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.32 CC1=C(C(=C(C(=C1)Cl)C)C)C S35999 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.32 CC1=C(C(=C(C(=C1)O)C)C)Cl S344621 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.32 CC1=C(C(=O)C(=CC1=O)Cl)C R163597 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.32 CC1=C(C=C(C(=C1Br)O)Br)Br S548618 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.32 CC1=CC(=C(C(=C1C)Br)N)C S943614 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.32 CC1=CC(=C(C(=C1C)C)Br)C S109738 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.32 CC1=CC(=C(C(=C1C)I)C)C S38548 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.32 CC1=CC(=O)C(=C(C1=O)Br)C R539902 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.32 CC1=CC(=O)C(=C(C1=O)C)C PH006916 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.32 CC1=CC(=O)N(C(=O)N1C)C R904201 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.72 COC1=C(C(=CC=C1O)F)C PH017341 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.72 COC1=C(C=CC(=C1C)O)O L300217 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.72 COC1=C(N(C=CC1=O)C)C PH007668 [0,1,0,0,0,0|0,0,0]=1 68 B11R1.278 CC1=C(C(=C(C=C1)C=O)F)F CDS001118 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.278 CC1=C(C(=C(C=C1)C=O)O)C ASX00132 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.278 CC1=C(C=CC(=C1C)N=O)O L168378 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.278 COC1=C(C(=C(C=C1)F)O)Cl CDS021067 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.278 COC1=CC=C(C(=C1O)O)Br L134910 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.37 CC1=NN(C(=C1I)C)C BML00265 [0,0,0,0,1,0|3,0,0]=4 74 B9R1.37 CC1=NN(C(=C1I)C)C CDS014870 [0,0,0,0,1,0|3,0,0]=4 75 B8R0.19 CN/C(=C\C(=O)OC)/C CVT00049 [1,0,1,0,0,0|1,0,1]=4 76 B8R1.4 CC1=CC(=O)NC=C1 T162655 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.4 CC1=CC=CC(=C1)N R647047 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.4 CC1=CC=CC(=O)N1 S766364 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [2,0,0,0,0,0|1,0,1]=4 80 B8R1.4 NC1=CC(=O)N=CN1 ANV00026 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [2,0,0,0,0,0|1,0,1]=4 83 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [2,0,0,0,0,0|1,0,1]=4 84 B8R1.5 NC1=CC=CC=C1O S378569 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.5 O=C1C=CC=CN1[K] T160997 [2,0,0,0,0,0|2,0,0]=4 86 B8R1.5 O=C1NC=CC=C1Cl T161063 [2,0,0,0,0,0|2,0,0]=4 87 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [2,0,0,0,0,0|1,0,1]=4 88 B8R1.5 OC1=CN=CC=C1Br CDS021897 [2,0,0,0,0,0|1,0,1]=4 89 B8R1.3 CC1=CNC(=O)C=C1 T162647 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.2 CC1=C(C(=CC=C1)C#N)C S445304 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.2 CC1=C(C(=CC=C1)CBr)C CDS022040 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.2 CC1=C(C=CC=C1CO)Cl CDS023048 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.2 CC1=CC=CC(=C1C)NN R436321 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)O S443786 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.22 CC1=C(C(=O)NC(=O)N1)I T340561 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.22 CC1=C(C=C(C=C1O)Br)Br S810576 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.22 CC1=C(C=C(C=C1O)O)O S414913 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CDS000400 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.22 CC1=CC(=CC(=C1O)C)I S842702 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.22 CC1=CC(=CC(=C1O)N)N S943975 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.22 CC1=CC(=CN(C1=O)C)Br JRD0890 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.245 CC1=C(C(=CC=C1)Cl)CN CDS000918 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.245 CC1=CC=CC(=C1CBr)C CDS022041 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.245 CC1=CC=CC(=C1CBr)F CDS020960 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.245 CC1=CC=CC(=C1CO)C PH002994 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.245 COC1=C(C=CN=C1C)Cl CDS024135 [1,1,0,0,0,0|1,0,1]=4 109 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.25 CCN1C=CC(=O)NC1=O S787973 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.25 CC[N+]1=CC=C(C=C1C)C S635375 [1,1,0,0,0,0|1,0,1]=4 114 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.30 CC1=CC=C(C=C1CN)Cl CDS002947 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.118 CC1=C(C=C(C(=C1)N)O)C CBR01735 [1,1,0,0,0,0|1,0,1]=4 121 B10R1.118 CC1=CC(=C(C=C1C)I)I S110043 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.118 CC1=CC(=C(C=C1Cl)C)C S943592 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)O PH011423 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.118 CC1=CC(=C(C=C1O)C)C PH017204 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.118 CC1=CC(=C(C=C1O)C)S PH007453 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.118 CC1=CC(=O)C(=CC1=O)Br R164224 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.118 CC1=CC(=O)C(=CN1C)O CBR02163 [1,1,0,0,0,0|0,0,0]=2 128 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.176 CC1=CC=C(C=C1C)C#N S454001 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.176 [C-]#[N+]C1=CC=C(C(=C1)C)C PH014891 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.256 CC1=NN(C(=C1CO)C)C CBR00195 [0,1,0,0,1,0|2,0,0]=4 136 B12R1.98 CC1=CC(=C(C(=C1CCl)C)O)C S947628 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.98 COC1=C(C=C(C(=C1C)C)N)C PH004606 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.705 COC1=C(N(C=C(C1=O)I)C)Br ADE001348 [0,2,0,0,0,0|1,0,0]=3 139 B12R1.3795 CC1=C(C(=C(C(=C1C)Cl)C)Cl)O S345717 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.653 COC1=CC=C(C(=C1O)O)C=O CDS016409 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.893 CC1=C(C(=CC=C1O)C(=O)O)O S947814 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.893 CC1=C(C(=CC=C1O)[N+](=O)[O-])O S861006 [0,2,0,0,0,0|2,0,0]=4 143 B12R2.82 CC1=C(C2=C(C=C1)CCC2)O T164534 [0,1,0,1,0,0|2,0,0]=4 144 B8R1.50 CC1=NNC(=C1O)C S720429 [1,0,0,0,1,0|2,0,0]=4 145 B8R1.18 CC1=NC(=CN1C)Br CDS007637 [1,0,0,0,1,0|2,0,0]=4