0 B10R1.25 C#CC1=NC=C(C=C1F)C CDS024546 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.25 CC1=CC(=CC=C1C#N)N CDS015445 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.25 CC1=CN=C(C(=C1)F)C=O PH018817 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.25 CC[N+]1=CC=C(C=C1C)C S635375 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.25 COC1=CC=[N+](C=C1C)C S580449 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.25 COC1=CN=C(N=C1O)C S217115 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.25 COC1=NC=C(C=C1I)C ADE000726 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.25 COC1=NC=C(C=C1O)Cl ADE000171 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.25 FC1=CC(=CC=C1CS)Cl CDS003831 [0,0,0,0,0,0|2,1,1]=4 23 B10R1.25 FC1=CC=C(C(=C1)Cl)CBr CDS001435 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.25 N#CC1=CC=C(C=C1Cl)Cl S654361 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.25 NC1=NC=C(C(=N1)N)C=O CDS013913 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.25 NCC1=CC=C(C=C1F)Br CDS003182 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.25 NNC1=C(C=C(C=C1)Cl)Br PH008591 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.25 O=CC1=CC=C(N=C1Cl)Br ADE000570 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [0,0,0,0,0,0|2,0,2]=4 32 B9R1.1 C#CC1=CC=C(C=N1)C CBR02071 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.1 C#CC1=CC=C(N=C1)C CDS023335 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.1 CC1=CC=C(C=C1)CS S369497 [1,0,0,0,0,0|0,1,1]=3 37 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.1 CSC1=CC=C(C=C1)N S418595 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.1 C[N+]1=CC=C(C=C1)C#N S649082 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.1 NCC1=CC=C(C=C1)F R750263 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F PH015011 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,0,0,0,0,0|0,0,1]=2 54 B9R1.15 CC1=C(C=CC=C1)NN R580260 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.15 COC1=CC=CC=C1N CDS000192 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [1,0,0,0,0,0|1,0,1]=3 64 B9R1.15 NCC1=CC=CC=C1Br T151114 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.15 OCC1=CC=CC=N1O S459240 [1,0,0,0,0,0|1,0,2]=4 67 B9R1.15 OCC1=NC=CC=C1O R578177 [1,0,0,0,0,0|1,0,2]=4 68 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [1,0,0,0,0,0|1,0,1]=3 71 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [1,0,0,0,0,0|2,1,0]=4 74 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.69 CC1=CC(=C(N=C1)F)I SYX00020 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.69 CC1=CC(=CC=C1N)N S442275 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [1,0,0,0,0,0|1,0,1]=3 83 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.69 CC1=CN=C(C(=C1)Cl)Cl ADE000749 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.69 CC1=CN=C(C(=C1)I)Cl ADE000728 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.69 FC1=CC(=CC=C1Cl)Br CDS014130 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.69 FC1=CC=C(C(=C1)Cl)Br CDS004020 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.69 FC1=CC=C(C(=C1)Cl)I CDS003030 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.69 FC1=CC=C(C(=C1)I)Cl CDS010723 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.69 FC1=CC=C(C(=C1)S)F CDS011187 [1,0,0,0,0,0|2,1,0]=4 102 B9R1.69 FC1=CC=C(C=C1Br)S CDS008156 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.69 NC1=C(C=C(C=C1)S)F KOB0167 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.69 NC1=CC=C(C=C1Cl)Cl S851930 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.69 O=C1[N-]C=C(C=C1Br)Br S433098 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.69 OC1=CC(=CN=C1Br)Br ADE000498 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.69 OC1=CC(=CN=C1Br)I ADE000476 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.69 OC1=CC(=CN=C1Cl)Br ADE000395 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.69 OC1=CC(=CN=C1Cl)Cl ADE000179 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.69 OC1=CC(=CN=C1I)Br ADE000419 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.69 OC1=CC(=CN=C1I)I ADE000562 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.69 [O-]C1=CC=C(C(=C1)Cl)Cl S697400 [1,0,0,0,0,0|3,0,0]=4 123 B11R1.37 COC1=C(C=CC(=C1)Cl)C#N T153745 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.37 COC1=C(C=CC(=C1)N)C#N CDS021034 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.37 COC1=C(C=CC(=N1)C)C#N PH011165 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.37 COC1=C(N=C(C=C1)C)OC ADE000526 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.37 COC1=CC(=CC=C1CO)C PH017728 [0,1,0,0,0,0|0,0,2]=3 128 B11R1.37 COC1=CC(=CC=C1CO)O CDS003654 [0,1,0,0,0,0|1,0,2]=4 129 B11R1.37 COC1=CC(=CN=C1C=O)Br ADE000491 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.37 COC1=CC=C(C=C1CCl)C CDS022279 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.37 COC1=CC=C(C=C1CO)F CDS020828 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.37 N#CC1=CC(=CC=C1C=O)Br CDS003721 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.37 N#CC1=CC(=CC=C1C=O)F CDS003658 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.81 C(=O)NC1=C(C=C(C=C1)Cl)Cl S576786 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.81 CC1=C(C=CC(=C1)Br)NC=O S624586 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.81 CC1=C(C=CC(=C1)Cl)NC=O S576395 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.81 CC1=CC(=C(C=C1)/C=N/O)C L320153 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.81 CC1=CC=C(C(=C1)C)N=C=S S645451 [0,1,0,0,0,0|1,1,1]=4 140 B11R1.81 O/N=C/C1=C(C=C(C=C1)O)O PH010880 [0,1,0,0,0,0|1,0,1]=3 141 B11R1.81 O/N=C\C1=CC=C(C=C1Cl)Cl PH008974 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.81 O=CNC1=C(C=C(C=C1)Br)Cl S746355 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.166 CC(=O)C1=NC=C(C=C1F)Br ADE000139 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.166 CC1=C(C=C[N+](=C1)[O-])C(=O)O T161675 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)C CDS011445 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)O PH011699 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.166 CC1=CC(=CC=C1[N+](=O)[O-])[O-] S399914 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br CDS022505 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.166 CC1=CC=C(C(=C1)Br)C(C)C S406864 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.166 CC1=CC=C(C(=C1)Cl)N(C)C S504149 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [0,1,0,0,0,0|0,0,0]=1 156 B11R1.166 CC1=CC=C(C(=C1)S)C(C)C PH007971 [0,1,0,0,0,0|1,1,1]=4 157 B11R1.166 CC1=CC=C(C(=N1)C)C(=O)O CDS013247 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.166 CC1=NC=C(C(=N1)N)C(=O)N PH016867 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.166 NC(=O)C1=NC=C(C=C1N)Br ADE000136 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.166 NC(=S)C1=CC=C(C=C1Cl)N BOG00233 [0,1,0,0,0,0|2,1,0]=4 164 B11R1.166 NC(=S)C1=CC=C(C=C1N)Cl BOG00232 [0,1,0,0,0,0|2,1,0]=4 165 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.166 NC1=CC(=CN=C1C(=O)O)Br ADE000138 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.166 NC1=CC=C(C(=C1)F)[N+](=O)[O-] CDS014115 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.166 NC1=CC=C(C(=C1)N)[N+](=O)[O-] S595098 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Br ADE000582 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.166 O=C(O)C1=NC=C(C=C1F)Br ADE000140 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1F)Cl CDS003056 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.277 CC1=CC(=C(C=C1Br)C=O)O CDS009877 [0,1,0,0,0,0|0,0,0]=1 177 B11R1.277 CC1=CC(=C(C=C1CCl)C)C S663352 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.277 CC1=CC(=C(C=C1CO)C)C PH015738 [0,1,0,0,0,0|1,0,2]=4 179 B11R1.277 CC1=CC(=C(C=C1O)C)N=O PH009024 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.277 CC1=NC(=C(N=C1C=O)C)C PH018053 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.277 CCC1=C(C=C(C(=C1)C)C)O S360961 [0,1,0,0,0,0|1,0,1]=3 182 B11R1.277 CCC1=CC(=C(C=C1C)C)C S504343 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.277 COC1=CC(=C(C=C1N)C)Cl PH011485 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.277 O=CC1=CC(=C(C=C1Cl)O)Cl PH014528 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.277 O=CC1=CC(=C(C=C1F)Br)F CDS023621 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.277 O=CC1=CC(=C(C=C1O)Cl)Cl CDS009957 [0,1,0,0,0,0|1,0,0]=2 187 B11R1.277 O=CC1=CC(=C(N=C1Cl)I)Cl ADE000207 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.278 CC1=C(C(=C(C=C1)C=O)F)F CDS001118 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.278 CC1=C(C(=C(C=C1)C=O)O)C ASX00132 [0,1,0,0,0,0|0,0,0]=1 190 B11R1.278 CC1=C(C=CC(=C1C)N=O)O L168378 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.278 COC1=CC=C(C(=C1O)O)Br L134910 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.279 BrCC1=CC=C(C(=C1)Br)CBr T306096 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.279 CC1=CC(=CC=C1C=O)C#N CDS024329 [0,1,0,0,0,0|1,0,1]=3 194 B11R1.279 CCC1=CC(=C(C=C1)CC)N PH010292 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.279 CCC1=CC(=C(C=C1)CN)F PH018848 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.279 COC1=CC=C(C(=C1)C)SC S323705 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.279 COC1=CC=C(C(=C1)Cl)C=O CDS013130 [0,1,0,0,0,0|1,0,0]=2 199 B11R1.279 COC1=CC=C(C(=C1)F)CCl CDS022915 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.279 COC1=CC=C(C=C1Br)SC PH001313 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.279 COC1=CC=C(C=C1C)CO PH017423 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.279 COC1=CC=C(C=C1Cl)CS PH002997 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.279 N#CC1=CC=C(C=C1F)CBr CDS008858 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.464 C(=O)C1=C(C=C(C=C1O)Cl)Cl CDS004457 [0,1,0,0,0,0|1,0,0]=2 205 B11R1.464 C(=O)C1=C(N=C(N=C1N)N)O CBR02336 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.464 CC1=CC(=C(C(=C1)C)C#N)C S445924 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.464 CC1=CC(=C(C(=C1)C)CN)C CDS021956 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.464 CC1=CC(=C(C(=C1)C)[Hg]Cl)C S880779 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.464 CC1=CC(=C(C(=N1)C)C=O)C PH018796 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.464 CC1=CC(=CC(=C1C=O)C)O CDS003970 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.464 CC1=CC(=CC(=C1N=O)C)O PH009036 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.464 CC1=NC(=C(C(=N1)Cl)C=O)Cl PH016215 [0,1,0,0,0,0|3,0,0]=4 213 B9R0.13 C/C=C/C=C(\C#N)/C(=O)O PH010529 [0,0,1,0,0,0|2,0,1]=4 214 B11R2.36 BrC1=CN=C2C=COC2=C1 ADE001159 [0,0,0,1,0,0|3,0,0]=4 215 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [0,0,0,1,0,0|3,0,0]=4 216 B11R2.36 CC1=CC2=C(C=C1)NN=N2 CDS000420 [0,0,0,1,0,0|3,0,0]=4 217 B11R2.36 CC1=CC2=N[Se]N=C2C=C1 S418013 [0,0,0,1,0,0|2,1,0]=4 218 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [0,0,0,1,0,0|2,0,0]=3 219 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [0,0,0,1,0,0|3,0,0]=4 220 B11R2.36 ClC1=CC=C2C=NNC2=C1 CDS006195 [0,0,0,1,0,0|3,0,0]=4 221 B11R2.36 ClC1=CN=C2C=COC2=C1 ADE001142 [0,0,0,1,0,0|3,0,0]=4 222 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [0,0,0,1,0,0|3,0,0]=4 223 B11R2.36 IC1=CC=C2OCOC2=C1 CDS003005 [0,0,0,1,0,0|3,0,0]=4 224 B11R2.36 IC1=CN=C2C=COC2=C1 ADE001138 [0,0,0,1,0,0|3,0,0]=4 225 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [0,0,0,1,0,0|3,0,0]=4 226 B11R2.36 OC1=CN=C2C=COC2=C1 ADE001146 [0,0,0,1,0,0|3,0,0]=4 227 B9R1.22 C(=O)C1=C(NC(=C1)C)C CDS008742 [0,0,0,0,1,0|2,0,0]=3 228 B9R1.22 CC1=NN(C(=C1)C=O)C TMT00498 [0,0,0,0,1,0|3,0,0]=4 229 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 230 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [2,0,0,0,0,0|2,0,0]=4 231 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|1,0,0]=3 232 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|1,0,0]=3 233 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|1,0,0]=3 234 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 235 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|1,0,1]=4 236 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [2,0,0,0,0,0|2,0,0]=4 237 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|1,0,0]=3 238 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|2,0,0]=4 239 B8R1.3 CC1=CNC(=O)C=C1 T162647 [2,0,0,0,0,0|1,0,0]=3 240 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.3 NC1=CC=C(C=C1)F S414190 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.3 NC1=CC=C(C=C1)N S706698 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [2,0,0,0,0,0|2,0,0]=4 245 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [2,0,0,0,0,0|1,1,0]=4 246 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [2,0,0,0,0,0|1,1,0]=4 247 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [2,0,0,0,0,0|2,0,0]=4 248 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [2,0,0,0,0,0|2,0,0]=4 249 B8R1.5 NC1=CC=CC=C1O S378569 [2,0,0,0,0,0|1,0,0]=3 250 B8R1.5 NC1=CC=CN=C1O CDS007860 [2,0,0,0,0,0|2,0,0]=4 251 B8R1.5 O=C1C=CC=CN1[K] T160997 [2,0,0,0,0,0|2,0,0]=4 252 B8R1.5 O=C1NC=CC=C1Cl T161063 [2,0,0,0,0,0|2,0,0]=4 253 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [2,0,0,0,0,0|2,0,0]=4 254 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.5 OC1=CN=CC=C1Br CDS021897 [2,0,0,0,0,0|2,0,0]=4 256 B8R1.5 OC1=NC=CC=C1F CDS019950 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.4 CC1=CC(=O)NC=C1 T162655 [2,0,0,0,0,0|1,0,1]=4 258 B8R1.4 CC1=CC=CC(=C1)N R647047 [2,0,0,0,0,0|1,0,0]=3 259 B8R1.4 CC1=CC=CC(=O)N1 S766364 [2,0,0,0,0,0|1,0,1]=4 260 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [2,0,0,0,0,0|2,0,0]=4 262 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.4 OC1=CC=CC(=N1)O S458678 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [2,0,0,0,0,0|2,0,0]=4 266 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [2,0,0,0,0,0|2,0,0]=4 267 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [1,1,0,0,0,0|0,0,0]=2 268 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [1,1,0,0,0,0|0,0,1]=3 271 B10R1.1 CC1=CC=C(C=C1)C#CI RNI00066 [1,1,0,0,0,0|1,0,1]=4 272 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [1,1,0,0,0,0|1,0,1]=4 274 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,1,0,0,0,0|1,0,1]=4 275 B10R1.1 C[N+]1=CC=C(C=C1)/C=N/O S935689 [1,1,0,0,0,0|1,0,1]=4 276 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.1 O/N=C/C1=CC=C(C=C1)I S907146 [1,1,0,0,0,0|1,0,1]=4 278 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [1,1,0,0,0,0|1,0,1]=4 279 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.1 ON=CC1=CC=C(C=C1)Cl S520594 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.3 BrCC1=CC=C(C=C1)CBr S36308 [1,1,0,0,0,0|1,0,1]=4 282 B10R1.3 C(=O)C1=CN=C(N=C1)OC CDS007915 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.3 C=CC1=CC=C(C=C1)C#N CDS000773 [1,1,0,0,0,0|1,0,1]=4 284 B10R1.3 CCC1=CC=C(C=C1)CN L480800 [1,1,0,0,0,0|1,0,1]=4 285 B10R1.3 CNC1=CC=C(C=C1)N=O S396362 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.3 COC1=CC=C(C=C1)[Hg]Cl S881198 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.3 CSC1=CC=C(C=C1)CN CDS002972 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.3 N#CC1=CC=C(C=C1)CN CDS003082 [1,1,0,0,0,0|1,0,1]=4 289 B10R1.3 N#CC1=CC=C(C=C1)CS OTV000790 [1,1,0,0,0,0|1,0,1]=4 290 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [1,1,0,0,0,0|0,0,0]=2 291 B10R1.3 NCC1=CC=C(C=C1)CO CDS017680 [1,1,0,0,0,0|0,0,2]=4 292 B10R1.3 O=CC1=CC=C(N=C1)CF PH016021 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.3 [C-]#[N+]C1=CC=C(C=C1)CC PH015675 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.13 CC1=CC=C(C=N1)[N+](=O)[O-] PH010163 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.13 CC1=CC=C(N=N1)C(=O)O CDS023095 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.13 CC1=NC=C(C=N1)C(=O)O CBR01580 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.13 CC1C=CC(C=C1)C(=O)O T167762 [1,1,0,0,0,0|0,0,2]=4 305 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,1,0,0,0,0|1,1,0]=4 313 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.176 C(=O)C1=CC(=C(C=C1)Br)Br R277363 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.176 C=CC1=CC=C([N+](=C1)C)C S605190 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [1,1,0,0,0,0|1,0,1]=4 323 B10R1.176 CC1=C(N=CC(=C1)C=O)Cl KOB0126 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.176 CC1=CC=C(C=C1C)C#N S454001 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.176 O=CC1=CN=C(C(=C1)F)Cl CDS023935 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.176 [C-]#[N+]C1=CC=C(C(=C1)C)C PH014891 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.2 O=CC1=C(C(=CC=C1)O)Br CDS004521 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.2 O=CC1=CC=CC(=C1F)Br CDS017326 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.2 O=CC1=CC=CC(=C1F)O PH015405 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [1,1,0,0,0,0|0,0,0]=2 338 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.4 CC1=C(N=CC=C1)NC=O S906697 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.20 COC1=CC=CC=C1NN S264407 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.20 COC1=CC=CC=C1[Hg]Cl S826243 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.20 COC1=CC=CN=C1C=O CDS007985 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.20 CSC1=CC=CC=C1CO PH002490 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.20 O=CC1=C(C=CC=C1)[Te]Br S50270 [1,1,0,0,0,0|0,1,0]=3 351 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.30 C(=O)C1=CC(=NC=C1Br)Br SYX00333 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.30 CC1=C(N=C(C=C1)Cl)C=O ADE001377 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.30 CC1=CN=C(C(=C1)C=O)Cl ADE000744 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.30 CC1=CN=C(C(=C1)C=O)N ADE000734 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.30 N#CC1=C(C=CC(=C1)N)O CBR02119 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.30 NC1=NC=C(C=C1C=O)F ADE000398 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.30 NC1=NC=C(C=C1C=O)I ADE000277 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.30 O=CC1=C(C=CC(=N1)Br)F ANV00087 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.30 O=CC1=CC(=CN=C1Cl)Br ADE000401 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.30 O=CC1=CC(=CN=C1Cl)Cl ADE000188 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.30 O=CC1=CC(=CN=C1Cl)F ADE000400 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [1,1,0,0,0,0|0,0,2]=4 374 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [1,1,0,0,0,0|1,1,0]=4 376 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,1,0,0,0,0|0,0,0]=2 386 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,1,0,0,0,0|0,0,0]=2 387 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [1,1,0,0,0,0|0,0,0]=2 390 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [1,1,0,0,0,0|1,1,0]=4 392 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [1,1,0,0,0,0|0,1,0]=3 395 B10R1.245 C(=O)C1=C(C=CN=C1F)Br SYX00399 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.245 C(=O)C1=C(C=CN=C1F)I SYX00351 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.245 C(=O)C1=C(C=NC=C1F)F CDS009040 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.245 CC1=C(C(=CC=C1)Br)C=O CDS024325 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.245 O=CC1=C(C=CN=C1Cl)O CDS023887 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.22 CC1=C(C=C(C=C1O)Br)Br S810576 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.22 CC1=C(C=C(C=C1O)O)O S414913 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.22 CC1=CC(=C(C(=C1)Br)I)Br S888508 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.22 CC1=CC(=C(C(=C1)Br)N)C S294144 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CDS000400 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.22 CC1=CC(=C(C(=C1)C)Cl)C PH010961 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.22 CC1=CC(=C(C(=C1)C)I)C R258377 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.22 CC1=CC(=C(C(=C1)Cl)O)Cl PH009955 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.22 CC1=CC(=C(C(=C1)I)O)I S633119 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.22 CC1=CC(=C(C(=N1)C)Br)O R456772 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.22 CC1=CC(=C(C(=N1)C)Cl)O R746894 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.22 CC1=CC(=C(C(=O)O1)Br)O PH002975 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.22 CC1=CC(=C(C(=O)O1)C)O S763454 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.22 CC1=NC(=C(C(=C1)O)C)O PH001768 [1,1,0,0,0,0|1,0,1]=4 414 B10R1.118 CC1=C(C=C(C(=C1)Br)Br)Br MNO000001 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.118 CC1=C(C=C(C(=C1)I)Br)I S881848 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.118 CC1=C(C=C(C(=C1)N)Cl)N PH011350 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.118 CC1=C(C=C(C(=C1)N)N)Br SYX00266 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.118 CC1=C(C=C(C(=C1)N)N)Cl CDS019956 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.118 CC1=C(C=C(C(=C1)N)O)C CBR01735 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.118 CC1=C(N=C(C(=C1)O)Cl)I ADE000751 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.118 CC1=CC(=C(C=C1Br)Br)C S945935 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.118 CC1=CC(=C(C=C1Br)N)F CDS023542 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.118 CC1=CC(=C(C=C1C)I)I S110043 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.118 CC1=CC(=C(C=C1Cl)C)C S943592 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)C S314269 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)O PH011423 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.118 CC1=CC(=C(C=C1I)C)I T304670 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.118 CC1=CC(=C(C=C1N)C)Br CDS022557 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.118 CC1=CC(=C(C=C1N)N)C R426733 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.118 CC1=CC(=C(C=C1O)C)C PH017204 [1,1,0,0,0,0|0,0,1]=3 431 B10R1.118 CC1=CC(=C(C=C1O)C)S PH007453 [1,1,0,0,0,0|0,0,1]=3 432 B10R1.118 CC1=CC(=O)C(=CC1=O)Br R164224 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.118 CC1=CC(=O)C(=CN1C)O CBR02163 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.118 NC1=CC(=C(C=C1O)F)Br CDS023410 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.118 O=C1C=C(C(=O)C=C1Br)Br S149403 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.118 O=C1C=C(C(=O)C=C1Br)Br S944955 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.118 OC1=C(C=C(C(=C1)Cl)Cl)O R166340 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.118 OC1=C(C=C(C(=C1)Cl)F)Cl PH017696 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.118 OC1=C(C=C(C(=C1)F)F)Cl PH017863 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.119 CC1=C(C(=C(C=C1)Cl)N)Cl PH011039 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.119 CC1=CC=C(C(=C1C)Br)C T332577 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.119 CC1=CC=C(C(=C1C)N)N R228389 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.119 CC1=CC=C(C(=C1F)O)F CDS021693 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.119 CC1=CC=C(C(=C1N)C)N R750859 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.119 OC1=C(C(=CC=C1F)Cl)F CDS002898 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.34 C(=O)C1=C(C(=C(N1)C)Br)Br S740381 [0,1,0,0,1,0|2,0,0]=4 447 B10R1.34 CC1=CC(=C(N1C)C)C=O CBR01460 [0,1,0,0,1,0|2,0,0]=4 448 B10R1.59 CC(=O)C1=C(C=C(N1)C)C PH014632 [0,1,0,0,1,0|2,0,0]=4 449 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PH010596 [0,1,0,0,1,0|2,0,0]=4 450 B10R1.59 CC1=CC(=C(O1)C(=O)O)C PH014459 [0,1,0,0,1,0|2,0,0]=4 451 B10R1.59 CC1=CC(=C(O1)C)C(=O)N S825395 [0,1,0,0,1,0|2,0,0]=4 452 B10R1.59 CC1=CC(=C(S1)N)C(=O)N OTV000759 [0,1,0,0,1,0|2,0,0]=4 453 B10R1.59 CC1=CC(=C(S1)N)C(=O)O CBR00110 [0,1,0,0,1,0|2,0,0]=4 454 B10R1.194 CC1=CC=C(N1C)C(=O)O CBR01594 [0,1,0,0,1,0|2,0,0]=4 455 B12R1.46 CC1=CC(=C(C=C1)N=N)C(=O)O S443069 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.46 CN(C)C1=C(C=CC(=C1)Br)C=O CDS023597 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.46 O=CC1=CC=C(C=C1C(=O)O)Br CDS013504 [0,2,0,0,0,0|1,0,0]=3 458 B12R1.46 O=CC1=CC=C(C=C1C(=O)O)Cl CDS009784 [0,2,0,0,0,0|1,0,0]=3 459 B12R1.57 CC1=CC(=C(C=C1)[N+](=O)[O-])C#N S489468 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.57 CNC1=C(C=CC(=C1)C)[N+](=O)[O-] PH009432 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.57 COC1=C(C=CC(=C1)Cl)C(=O)Cl PH016231 [0,2,0,0,0,0|1,0,0]=3 462 B12R1.57 COC1=CC(=CC=C1C(=O)C)Br JRD0836 [0,2,0,0,0,0|1,0,0]=3 463 B12R1.57 COC1=CC(=CN=C1C(=O)O)Br ADE000556 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.57 NNC1=C(C=CC(=C1)Cl)C(=O)O PH001526 [0,2,0,0,0,0|2,0,0]=4 465 B12R1.78 COC1=CC(=CC=C1C#N)CBr CDS023567 [0,2,0,0,0,0|1,0,1]=4 466 B12R1.78 COC1=CC=C(C(=C1)OC)[Hg]Cl S880906 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.112 CC1=CC=C(C(=C1)C#N)N=C=O CDS017996 [0,2,0,0,0,0|1,0,1]=4 468 B12R1.268 CCOC1=CC(=CC=C1C=O)F CDS002377 [0,2,0,0,0,0|1,0,0]=3 469 B12R1.114 COC1=CC(=C(C=C1)NC=O)C S626082 [0,2,0,0,0,0|1,0,0]=3 470 B12R1.233 CC(=O)CC1=CC=C(C=C1C)C R226734 [0,2,0,0,0,0|1,0,0]=3 471 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)Br S778214 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)C S507415 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)Br PH006836 [0,2,0,0,0,0|2,0,0]=4 474 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)C S744840 [0,2,0,0,0,0|2,0,0]=4 475 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)I PH005832 [0,2,0,0,0,0|2,0,0]=4 476 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F S754757 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)C L168092 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)Cl PH011376 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.233 CC(=O)NC1=C(C=C(C=C1)O)C PH007046 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)C T331570 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)Cl R591629 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.233 CC(=O)NC1=CC=C(C=C1I)Br R648612 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.233 CC(=S)NC1=C(C=C(C=C1)C)Br R428477 [0,2,0,0,0,0|1,1,0]=4 484 B12R1.233 CC1=CC(=CC=C1NC(=O)N)Cl S601519 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.233 CC1=CC=C(C(=C1)C)NC(=N)N S614645 [0,2,0,0,0,0|2,0,0]=4 486 B12R1.233 CC1=CC=C(C(=C1)C)NC(=O)N S411590 [0,2,0,0,0,0|1,0,0]=3 487 B12R1.233 CC1=CC=C(C(=C1)C)NC(=S)N R611220 [0,2,0,0,0,0|1,1,0]=4 488 B12R1.233 CC1=CC=C(C(=C1)O)CC(=O)O PH016856 [0,2,0,0,0,0|0,0,0]=2 489 B12R1.233 NC(=O)NC1=CC=C(C=C1Cl)Cl S764116 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.233 NC(=O)NC1=CC=C(C=C1F)F S730564 [0,2,0,0,0,0|2,0,0]=4 491 B12R1.1095 CC1=CC(=C(C(=C1)C)C=NO)C S109584 [0,2,0,0,0,0|1,0,1]=4 492 B12R1.1095 CC1=CC(=C(C(=C1)C)C=NO)C S90817 [0,2,0,0,0,0|1,0,1]=4 493 B12R1.1123 C(=O)NC1=C(C=C(C(=C1)Cl)Cl)Cl S531820 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.1703 C(=O)C(=O)C1=C(C=C(C=C1)F)F CDS022056 [0,2,0,0,0,0|2,0,0]=4 495 B12R1.1703 C/C(=N\O)/C1=C(C=C(C=C1)O)O R395218 [0,2,0,0,0,0|1,0,1]=4 496 B12R1.1703 CC1=CC(=C(C=C1)/C(=N/O)/C)O L497398 [0,2,0,0,0,0|0,0,1]=3 497 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CBr)C PH010309 [0,2,0,0,0,0|1,0,0]=3 498 B12R1.1703 CC1=CC(=CC=C1C(=O)CCl)O R738417 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.1703 CC1=CC=C(C(=C1)C)C(=O)CCl OTV000341 [0,2,0,0,0,0|1,0,0]=3 500 B12R1.1703 CC1=CC=C(C(=C1)O)C(=O)NO PH010314 [0,2,0,0,0,0|0,0,0]=2 501 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Br)O PH006805 [0,2,0,0,0,0|1,0,0]=3 502 B12R1.1703 CCC(=O)C1=CC=C(C=C1Cl)Cl S757217 [0,2,0,0,0,0|2,0,0]=4 503 B12R1.1703 CCC(=O)C1=CC=C(C=C1O)F JRD0661 [0,2,0,0,0,0|1,0,0]=3 504 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)Cl)Cl S15629 [0,2,0,0,0,0|2,0,0]=4 505 B12R1.1703 COC(=O)C1=C(C=C(C=C1)C)C EME00062 [0,2,0,0,0,0|1,0,0]=3 506 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)Cl PH009694 [0,2,0,0,0,0|2,0,0]=4 507 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PH001949 [0,2,0,0,0,0|1,0,0]=3 508 B12R1.1703 COC(=O)C1=CC=C(C=C1N)Br CDS022573 [0,2,0,0,0,0|2,0,0]=4 509 B12R1.1703 COC(=O)C1=CC=C(C=C1N)F CDS023419 [0,2,0,0,0,0|2,0,0]=4 510 B12R1.1703 COC(=O)C1=CC=C(C=C1O)Br JRD0832 [0,2,0,0,0,0|1,0,0]=3 511 B12R1.1703 COC(=O)C1=CC=C(C=C1O)C PH011099 [0,2,0,0,0,0|0,0,0]=2 512 B12R1.1703 COC(=O)C1=CC=C(C=C1O)F JRD0834 [0,2,0,0,0,0|1,0,0]=3 513 B12R1.1703 NNC(=O)C1=CC=C(C=C1Cl)Cl S550434 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.1703 NNC(=O)C1=CC=C(C=C1O)Br JRD0833 [0,2,0,0,0,0|1,0,0]=3 515 B12R1.1703 NNC(=O)C1=CC=C(C=C1O)F JRD0835 [0,2,0,0,0,0|1,0,0]=3 516 B12R1.1703 O=C(NO)C1=C(C=C(C=C1)Cl)Cl PH010543 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.126 CC1=CC(=C(C=C1)S(=O)(=O)N)C PH000222 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.126 CC1=CC=C(C(=C1)C)P(=O)(O)O S915718 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)C)C S413607 [0,2,0,0,0,0|1,0,0]=3 520 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)O)C S946222 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.232 CC(=O)C1=CC(=C(C=C1C)C)N S764752 [0,2,0,0,0,0|1,0,0]=3 522 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C PH010635 [0,2,0,0,0,0|0,0,0]=2 523 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O R151963 [0,2,0,0,0,0|0,0,0]=2 524 B12R1.232 CC(=O)C1=CC(=C(C=C1O)Cl)Cl PH000500 [0,2,0,0,0,0|1,0,0]=3 525 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)Cl IDF00011 [0,2,0,0,0,0|1,0,0]=3 526 B12R1.232 CC1=C(C=C(C(=C1)N)C(=O)N)F CDS024448 [0,2,0,0,0,0|1,0,0]=3 527 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)C JRD0550 [0,2,0,0,0,0|0,0,0]=2 528 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)Cl JRD0551 [0,2,0,0,0,0|0,0,0]=2 529 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N R397687 [0,2,0,0,0,0|1,0,1]=4 530 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N S565636 [0,2,0,0,0,0|1,0,1]=4 531 B12R1.232 CC1=C(N=C(C(=C1)C(=O)N)Cl)C CBR01585 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.232 CC1=C(NC(=O)C(=C1)C(=O)O)C CBR00208 [0,2,0,0,0,0|1,0,1]=4 533 B12R1.232 CC1=CC(=C(C=C1Br)C(C)C)O OTV000984 [0,2,0,0,0,0|1,0,1]=4 534 B12R1.232 CC1=CC(=C(C=C1Br)[N+](=O)[O-])N SYX00368 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.232 CC1=CC(=C(C=C1C(=O)O)F)F CDS013819 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.232 CC1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl S753033 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.232 CC1=CC(=C(C=C1I)C(=O)O)I T304727 [0,2,0,0,0,0|1,0,0]=3 538 B12R1.232 CC1=CC(=C(C=C1N)[N+](=O)[O-])C S740365 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.232 CC1=CC(=O)C(=CN1C)C(=O)O T139262 [0,2,0,0,0,0|1,0,1]=4 540 B12R1.232 NC1=CC(=C(C=C1Cl)C(=O)O)O PH008049 [0,2,0,0,0,0|1,0,0]=3 541 B12R1.232 O=C(O)C1=C(C=C(C(=C1)I)F)F MNO000199 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.232 O=C(O)C1=CC(=C(C=C1F)F)Cl CDS003243 [0,2,0,0,0,0|2,0,0]=4 543 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O L168718 [0,2,0,0,0,0|1,0,0]=3 544 B12R1.452 CC1=CC(=CC=C1[N+](=O)[O-])CCl S922145 [0,2,0,0,0,0|2,0,0]=4 545 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C T277045 [0,2,0,0,0,0|1,0,0]=3 546 B12R1.452 COC1=CC=C(C(=C1)I)[N+](=O)[O-] ANV00227 [0,2,0,0,0,0|2,0,0]=4 547 B12R1.452 COC1=CC=C(C(=C1)N)C(=O)N BBO000417 [0,2,0,0,0,0|1,0,0]=3 548 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CDS013828 [0,2,0,0,0,0|0,0,0]=2 549 B12R1.452 COC1=CC=C(C(=N1)Cl)C(=O)O ADE000607 [0,2,0,0,0,0|2,0,0]=4 550 B12R1.452 CSC1=NC(=C(C=N1)C(=O)O)O JRD0446 [0,2,0,0,0,0|2,0,0]=4 551 B12R1.452 O=[N+]([O-])C1=CC=C(C=C1F)CBr VBP00031 [0,2,0,0,0,0|2,0,0]=4 552 B12R1.893 CC1=C(C(=C(C=C1)C(C)C)O)O S351784 [0,2,0,0,0,0|1,0,1]=4 553 B12R1.893 CC1=C(C(=CC=C1C(=O)O)F)Cl PH017348 [0,2,0,0,0,0|2,0,0]=4 554 B12R1.893 CC1=C(C(=CC=C1O)C(=O)O)O S947814 [0,2,0,0,0,0|1,0,0]=3 555 B12R1.893 CC1=C(C(=CC=C1O)[N+](=O)[O-])O S861006 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.893 CC1=C(C=CC(=C1N)C(=O)O)Cl T276375 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.893 CC1=CC=C(C(=O)N1C)C(=O)O CDS002379 [0,2,0,0,0,0|1,0,1]=4 558 B12R1.893 O=C(Cl)C1=C(C(=C(C=C1)F)F)F T341576 [0,2,0,0,0,0|2,0,0]=4 559 B12R1.893 O=C(O)C1=CC=C(C(=C1Cl)F)Cl MNO000056 [0,2,0,0,0,0|2,0,0]=4 560 B12R1.893 O=C(O)C1=CC=C(C(=C1F)Cl)F CDS001173 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.893 O=C(O)C1=CC=C(C(=C1F)F)O CDS008686 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.893 O=[N+]([O-])C1=C(C(=C(C=C1)Cl)Cl)O PH000483 [0,2,0,0,0,0|2,0,0]=4 563 B12R1.1000 CC(=N)C1=C(C=C(C=C1O)O)O S638560 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.1000 CC(=O)C1=C(C=C(C=C1C)O)C S991066 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)C)C S462284 [0,2,0,0,0,0|0,0,0]=2 566 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)C S763225 [0,2,0,0,0,0|1,0,0]=3 567 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O PH009772 [0,2,0,0,0,0|1,0,0]=3 568 B12R1.1000 CC1=C(C(=CC(=C1)F)I)C(=O)O L511900 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)N)C S356611 [0,2,0,0,0,0|1,0,0]=3 570 B12R1.1000 CC1=CC(=C(C(=C1)C)S(=O)O)C S798894 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.1000 CC1=CC(=C(C(=C1)C)[N+](=O)[O-])C PH000042 [0,2,0,0,0,0|2,0,0]=4 572 B12R1.1000 CC1=CC(=C(C(=C1)I)C(=O)O)I L511978 [0,2,0,0,0,0|1,0,0]=3 573 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O S84299 [0,2,0,0,0,0|0,0,0]=2 574 B12R1.1000 CC1=CC(=C(C(=C1)O)[N+](=O)[O-])C S809179 [0,2,0,0,0,0|1,0,0]=3 575 B12R1.1000 CC1=CC(=C(C(=N1)C)C(=O)N)O R439762 [0,2,0,0,0,0|1,0,0]=3 576 B12R1.1000 CC1=CC(=C(C(=O)O1)C(=O)O)C T321648 [0,2,0,0,0,0|1,0,1]=4 577 B12R1.1000 NC1=CC(=CC(=C1C(=O)O)Cl)Cl CDS017594 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.1000 O=C(O)C1=C(C=C(C=C1O)O)O PH005103 [0,2,0,0,0,0|1,0,0]=3 579 B12R1.1000 O=C([O-])C1=C(C=C(C=C1O)O)O S504165 [0,2,0,0,0,0|1,0,0]=3 580 B12R1.14 O=CC1=CC(=C(C(=C1O)Br)O)Br OTV000378 [0,2,0,0,0,0|1,0,0]=3 581 B12R1.449 C(=O)C1=C(C=C(C(=C1)OC)O)Br S107026 [0,2,0,0,0,0|2,0,0]=4 582 B12R1.450 CC1=CC(=C(C=C1C=O)C)C=O PH007589 [0,2,0,0,0,0|1,0,1]=4 583 B12R1.450 COC1=C(C=C(C(=C1)F)C=O)F CDS022247 [0,2,0,0,0,0|1,0,0]=3 584 B12R1.450 COC1=CC(=C(C=C1O)OC)Br BBO000531 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.653 COC1=CC=C(C(=C1O)O)C=O CDS016409 [0,2,0,0,0,0|0,0,0]=2 586 B12R1.654 O=NC1=CC=C(C(=C1O)N=O)O S944009 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.48 CC1=CC(=CC=C1C=O)N(C)C PH010205 [0,2,0,0,0,0|1,0,0]=3 588 B12R1.48 CN(C)C1=NC(=C(C=C1)C=O)Cl CDS023869 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CDS009889 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.288 CCOC1=CC=C(C(=C1)O)C=O CDS011578 [0,2,0,0,0,0|0,0,0]=2 591 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [0,0,1,1,0,0|2,0,0]=4 592 B10R1.27 C/C(=C\C1=CC=CO1)/C=O PH011362 [0,0,1,1,0,0|2,0,0]=4 593 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,1,0,0|2,0,0]=4 594 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|1,0,0]=3 595 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 PH011260 [0,1,0,1,0,0|2,0,0]=4 596 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [0,1,0,1,0,0|2,0,0]=4 597 B12R2.612 CC1=NOC2=CC(=CC=C12)Br CDS003558 [0,1,0,1,0,0|2,0,0]=4 598 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 CDS002180 [0,1,0,1,0,0|1,0,0]=3 599 B12R2.612 NC1=NOC2=CC(=CC=C12)Br CDS008140 [0,1,0,1,0,0|2,0,0]=4 600 B12R2.612 O=C1CCC2=C1C=CC(=C2)S T285463 [0,1,0,1,0,0|2,0,0]=4 601 B12R2.612 O=C1NCC2=CC(=CC=C12)Br CDS009180 [0,1,0,1,0,0|2,0,0]=4 602 B12R2.612 OC1=NOC2=C1C=CC(=C2)Cl CDS017027 [0,1,0,1,0,0|1,0,1]=4 603 B12R2.246 CC1=CC2=C(C=CO2)C(=O)O1 T271020 [0,1,0,1,0,0|2,0,0]=4 604 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C PH000069 [0,1,0,1,0,0|1,1,0]=4 605 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)N R587281 [0,1,0,1,0,0|1,1,0]=4 606 B12R2.606 CC1=CC2=C(C=C1)OC(=S)N2 L470805 [0,1,0,1,0,0|1,1,0]=4 607 B12R2.606 CC1=CC2=C(C=C1)[Se]C(=N2)S L204072 [0,1,0,1,0,0|1,1,0]=4 608 B12R2.606 CC1=CC2=NC(=O)CN2C=C1 PH012135 [0,1,0,1,0,0|2,0,0]=4 609 B12R2.606 CC1=CC=C2NC(=NC2=C1)N CDS005473 [0,1,0,1,0,0|2,0,0]=4 610 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [0,1,0,1,0,0|2,0,0]=4 611 B12R2.606 ClC1=CC=C2N=C(OC2=C1)Cl CDS013574 [0,1,0,1,0,0|2,0,0]=4 612 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [0,1,0,1,0,0|2,0,0]=4 613 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [0,1,0,1,0,0|2,0,0]=4 614 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [0,1,0,1,0,0|1,0,0]=3 615 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [0,1,0,1,0,0|1,0,0]=3 616 B12R2.606 O=C1NC2=C(S1)C=C(C=C2)Br R587540 [0,1,0,1,0,0|1,1,0]=4 617 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [0,1,0,1,0,0|2,0,0]=4 618 B12R2.606 O=C1NC2=NC=C(C=C2O1)Br CDS005180 [0,1,0,1,0,0|2,0,0]=4 619 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [0,1,0,1,0,0|1,1,0]=4 620 B12R2.100 CC1=C(C=C2C=NNC2=C1)Br SYX00191 [0,1,0,1,0,0|2,0,0]=4 621 B12R2.44 BrCC1=CC=C2C=NNC2=C1 CVT00142 [0,1,0,1,0,0|2,0,0]=4 622 B12R2.44 COC1=CC=C2OCOC2=C1 PH008541 [0,1,0,1,0,0|2,0,0]=4 623 B12R2.44 NCC1=CC2=C(C=CN2)C=C1 CDS006666 [0,1,0,1,0,0|2,0,0]=4 624 B12R2.44 OCC1=CC=C2C=NNC2=C1 PHB00052 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.1 CC1=CN=C(S1)C=O CDS011813 [1,0,0,0,1,0|2,0,0]=4 626 B8R1.1 CC1=NOC(=C1)C=O CDS014208 [1,0,0,0,1,0|2,0,0]=4 627 B8R1.11 C(=O)C1=C(C=CN1)Cl T266418 [1,0,0,0,1,0|2,0,0]=4 628 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [1,0,0,0,1,0|2,0,0]=4 629 B8R1.11 O=CC1=C(C=CO1)Br CDS004540 [1,0,0,0,1,0|2,0,0]=4 630 B8R1.11 O=CC1=C(SC=C1)Br CDS015492 [1,0,0,0,1,0|2,0,0]=4