0 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.2 C1(C=CCC=C1)CO T175528 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.2 C=CC1=CC=CC=C1 S460680 [0,0,0,0,0,0|1,0,1]=2 5 B8R1.2 C=CC1=CC=CC=C1 S461830 [0,0,0,0,0,0|1,0,1]=2 6 B8R1.2 C=CC1=CC=CC=C1 S462152 [0,0,0,0,0,0|1,0,1]=2 7 B8R1.2 COC1=NC=CC=N1 CDS005079 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.2 CSC1=NC=CC=N1 SYX00290 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 CSC1=NC=CN=N1 SYX00362 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.2 NCC1=CC=CC=C1 S696684 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.2 NCC1=CN=CC=C1 S763780 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.2 NCC1=CN=CC=N1 CDS009594 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [0,0,0,0,0,0|1,1,0]=2 16 B8R1.2 OCC1=CC=CN=N1 CDS015970 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.3 BrC1=CC=CN=N1 CDS023312 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.3 BrC1=CN=CC=N1 CDS005022 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.3 BrC1=CN=NC=C1 CDS022809 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.3 CC1=CC=NC=C1 T256412 [1,0,0,0,0,0|1,0,0]=2 22 B7R1.3 CC1=CC=NC=C1 T330418 [1,0,0,0,0,0|1,0,0]=2 23 B7R1.3 NC1=CC=CC=C1 S698326 [1,0,0,0,0,0|0,0,0]=1 24 B7R1.3 NC1=CC=CC=N1 S822329 [1,0,0,0,0,0|1,0,0]=2 25 B7R1.3 NC1=CC=NN=C1 CDS006078 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.3 O=C1C=CC=CN1 T160121 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.3 O=C1C=CNC=C1 T161470 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.3 O=C1C=CSC=C1 T162035 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.3 OC1=CC=NC=C1 CDS013613 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.3 S=C1C=CSC=C1 S874310 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.3 SC1=NC=CC=N1 S565652 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [1,0,0,0,0,0|1,0,0]=2 33 B7R1.3 [O-]C1=CN=CC=N1 S451452 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.3 [S-]C1=CC=CC=C1 S578991 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.1 C#CC1=CC=C(C=N1)C CBR02071 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.1 C#CC1=CC=C(N=C1)C CDS023335 [0,1,0,0,0,0|2,0,1]=4 37 B9R1.1 C#CC1=CC=C(N=C1)Cl CDS021113 [0,1,0,0,0,0|2,0,1]=4 38 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.1 CC1=CC=C(C=C1)CS S369497 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.1 CCC1=CN=C(N=C1)O CBR01415 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [0,1,0,0,0,0|0,0,0]=1 48 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [0,1,0,0,0,0|0,0,0]=1 49 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [0,1,0,0,0,0|1,0,0]=2 54 B9R1.1 CSC1=CC=C(C=C1)N S418595 [0,1,0,0,0,0|1,0,0]=2 55 B9R1.1 CSC1=CC=C(N=C1)Br CBR00035 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.1 CSC1=NC=C(C=N1)O S217581 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.1 CSC1=NN=C(C=C1)Cl L163783 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.1 C[N+]1=CC=C(C=C1)C#N S649082 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.1 N#CC1=CC=C(N=C1)Br CDS003693 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.1 N#CC1=CC=C(N=C1)F CDS002963 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.1 NCC1=CC=C(C=C1)F R750263 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F PH015011 [0,1,0,0,0,0|0,0,2]=3 68 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.2 C#CC1=CC(=CC=C1)Br CDS007533 [0,1,0,0,0,0|1,0,1]=3 70 B9R1.2 C#CC1=CC(=NC=C1)Cl RNI00128 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.2 C#CC1=CC=CC(=N1)C CBR02079 [0,1,0,0,0,0|2,0,1]=4 72 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.2 CC1=CC(=CC=N1)CO L499730 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [0,1,0,0,0,0|1,0,0]=2 83 B9R1.2 CCC1=NC(=CC=C1)C S580031 [0,1,0,0,0,0|2,0,0]=3 84 B9R1.2 CNC1=CC(=CC=C1)N S604097 [0,1,0,0,0,0|0,0,0]=1 85 B9R1.2 COC1=CC(=NC=N1)I SYX00370 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [0,1,0,0,0,0|1,0,0]=2 87 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [0,1,0,0,0,0|2,0,0]=3 88 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.2 COC1=CN=CC(=N1)Cl SYX00288 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.2 COC1=NC=CC(=N1)N CDS004264 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [0,1,0,0,0,0|1,0,0]=2 96 B9R1.2 CSC1=NC(=CC=N1)I SYX00298 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.2 CSC1=NC=CC(=N1)N ANV00048 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.2 CSC1=NC=CC(=N1)O S217336 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.2 CSC1=NC=CC(=N1)O S440043 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.2 CSC1=NC=NC(=C1)Cl SYX00015 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.2 N#CC1=CC=NC(=C1)Br CDS003642 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.2 N#CC1=CC=NC(=C1)N CDS000695 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.2 N#CC1=NC=CC(=C1)Br CDS022066 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.2 NNC1=CC=CC(=N1)Cl SYX00272 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.2 NNC1=NC(=O)NC=C1 SYX00184 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.2 OCC1=CC=NC(=C1)F MNO000064 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [0,1,0,0,0,0|1,0,0]=2 126 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [0,1,0,0,0,0|0,0,0]=1 127 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [0,1,0,0,0,0|1,0,0]=2 128 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.6 OB(O)C1=CC=CC=N1 CDS009263 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.6 OB(O)C1=CC=NC=C1 CDS006321 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [0,1,0,0,0,0|1,0,1]=3 139 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [0,1,0,0,0,0|1,0,1]=3 140 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.8 CCCC1=CC=NC=C1 S573086 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.8 CCOC1=CC=CC=N1 S442267 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.8 CNCC1=NC=NC=C1 PH017743 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.8 CNCC1=NC=NC=C1 PH019105 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.8 CNNC1=CC=CC=C1 PH012261 [0,1,0,0,0,0|0,0,0]=1 146 B9R1.8 COCC1=CC=CC=N1 S363146 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.8 IC#CC1=NC=CC=C1 RNI00054 [0,1,0,0,0,0|2,0,1]=4 149 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.8 O=C=NC1=CC=CN=C1 CDS004476 [0,1,0,0,0,0|1,0,2]=4 154 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [0,1,0,0,0,0|1,0,2]=4 160 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [0,1,0,0,0,0|1,0,2]=4 161 B9R1.15 C#CC1=CC=CN=C1F CDS021219 [0,1,0,0,0,0|2,0,1]=4 162 B9R1.15 C#CC1=CC=NC=C1Cl CDS021227 [0,1,0,0,0,0|2,0,1]=4 163 B9R1.15 C#CC1=NC=CC=C1C CDS023892 [0,1,0,0,0,0|2,0,1]=4 164 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.15 CC1=C(C=CC=C1)NN R580260 [0,1,0,0,0,0|1,0,0]=2 166 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.15 CC1=CC=CN=C1CN CDS004048 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.15 CC1=CC=NC=C1CN CDS013951 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.15 CCC1=NC=NC=C1Br CDS023071 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.15 CCN1C=CC=CC1=O S683159 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.15 CC[N+]1=C(C=CC=C1)Br S765686 [0,1,0,0,0,0|2,0,0]=3 176 B9R1.15 CC[N+]1=C(N=CC=C1)N S140686 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [0,1,0,0,0,0|0,0,0]=1 179 B9R1.15 CNC1=NC=CC=C1Cl T169315 [0,1,0,0,0,0|1,0,0]=2 180 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [0,1,0,0,0,0|2,0,0]=3 181 B9R1.15 COC1=C(CC=CC1)C S864811 [0,1,0,0,0,0|1,0,2]=4 182 B9R1.15 COC1=CC=CC=C1N CDS000192 [0,1,0,0,0,0|1,0,0]=2 183 B9R1.15 COC1=CC=NC=C1Br CDS007984 [0,1,0,0,0,0|2,0,0]=3 184 B9R1.15 COC1=NC=CC=C1N CDS002836 [0,1,0,0,0,0|2,0,0]=3 185 B9R1.15 COC1=NC=CN=C1I SYX00132 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [0,1,0,0,0,0|1,0,1]=3 188 B9R1.15 NC1=C(C=CN=C1)CO ADE000287 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [0,1,0,0,0,0|3,0,0]=4 191 B9R1.15 NC1=CC=NC=C1CO ADE000311 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.15 NC1=NC=CC=C1CO ADE000265 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.15 NCC1=CC=CC=C1Br T151114 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.15 OCC1=CC=CC=N1O S459240 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.15 OCC1=CC=NC=C1Br MNO000077 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.15 OCC1=NC=CC=C1O R578177 [0,1,0,0,0,0|3,0,0]=4 202 B7R1.1 BrCC1=CSC=C1 CDS022029 [0,0,0,0,1,0|3,0,0]=4 203 B7R1.1 C#CC1=CC=CS1 CDS010938 [0,0,0,0,1,0|2,0,1]=4 204 B7R1.1 CCC1=CNN=C1 CBR01738 [0,0,0,0,1,0|3,0,0]=4 205 B7R1.1 CSC1=CC=CS1 R436550 [0,0,0,0,1,0|2,0,0]=3 206 B7R1.1 Cl[Hg]C1=CC=CO1 S813176 [0,0,0,0,1,0|3,0,0]=4 207 B7R1.1 Cl[Hg]C1=CC=CS1 S815802 [0,0,0,0,1,0|3,0,0]=4 208 B7R1.1 Cl[Hg]C1=COC=C1 S814148 [0,0,0,0,1,0|3,0,0]=4 209 B7R1.1 NCC1=COC=C1 CDS008929 [0,0,0,0,1,0|3,0,0]=4 210 B7R1.1 OCC1=CC=CN1 CDS009556 [0,0,0,0,1,0|3,0,0]=4 211 B7R1.1 SCC1=CC=CS1 CDS000069 [0,0,0,0,1,0|3,0,0]=4 212 B6R0.4 C=COCC(=C)C T284386 [1,0,1,0,0,0|1,0,1]=4 213 B6R1.1 C1=CC=CC=C1 S458074 [2,0,0,0,0,0|0,0,0]=2 214 B6R1.1 C1=CC=NC=C1 S503533 [2,0,0,0,0,0|1,0,0]=3 215 B8R0.9 C(=C\C(=O)NC)\C(=O)O R436445 [0,1,1,0,0,0|2,0,0]=4 216 B8R0.9 C(=C\C(=O)NC)\C(=O)O S626813 [0,1,1,0,0,0|2,0,0]=4 217 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.3 CC1=CNC(=O)C=C1 T162647 [1,1,0,0,0,0|1,0,0]=3 220 B8R1.3 CC1=NC=C(C=N1)Br CDS022509 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [1,1,0,0,0,0|1,0,0]=3 226 B8R1.3 NC1=CC=C(C=C1)F S414190 [1,1,0,0,0,0|0,0,0]=2 227 B8R1.3 NC1=CC=C(C=C1)N S706698 [1,1,0,0,0,0|0,0,0]=2 228 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [1,1,0,0,0,0|1,0,0]=3 229 B8R1.3 NC1=CN=C(C=N1)Cl CDS005437 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.3 NC1=CN=C(N=C1)Cl CDS009800 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [1,1,0,0,0,0|1,0,0]=3 233 B8R1.4 CC1=CC(=O)NC=C1 T162655 [1,1,0,0,0,0|1,0,0]=3 234 B8R1.4 CC1=CC=CC(=C1)N R647047 [1,1,0,0,0,0|0,0,0]=2 235 B8R1.4 CC1=CC=CC(=O)N1 S766364 [1,1,0,0,0,0|1,0,0]=3 236 B8R1.4 CC1=CC=NC(=O)C1 S681601 [1,1,0,0,0,0|1,0,1]=4 237 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [1,1,0,0,0,0|1,0,0]=3 238 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.4 CC1=NC=NC(=C1)S R901148 [1,1,0,0,0,0|2,0,0]=4 243 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [1,1,0,0,0,0|2,0,0]=4 244 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.4 FC1=CC=CC(=N1)Br CDS002875 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [1,1,0,0,0,0|1,0,0]=3 247 B8R1.4 NC1=CC(=CN=C1)I ADE000379 [1,1,0,0,0,0|1,0,0]=3 248 B8R1.4 NC1=CC(=O)N=CN1 ANV00026 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [1,1,0,0,0,0|0,0,0]=2 250 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [1,1,0,0,0,0|1,0,0]=3 251 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [1,1,0,0,0,0|1,0,0]=3 252 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [1,1,0,0,0,0|1,0,0]=3 253 B8R1.4 NC1=NC(=CN=C1)Cl CDS013619 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.4 OC1=CC=CC(=N1)O S458678 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [1,1,0,0,0,0|1,0,0]=3 259 B8R1.5 CC1=CC=NN=C1Cl PHB00234 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.5 CC1=CN=CC=C1N CDS003217 [1,1,0,0,0,0|1,0,0]=3 261 B8R1.5 CC1=NC=CN=C1Cl CDS013629 [1,1,0,0,0,0|2,0,0]=4 262 B8R1.5 CC1=NC=CN=C1S PH014228 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [1,1,0,0,0,0|1,0,0]=3 264 B8R1.5 C[N+]1=CC=CN=C1N S142433 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.5 FC1=CC=CN=C1I ADE000285 [1,1,0,0,0,0|2,0,0]=4 267 B8R1.5 IC1=CC=CN=C1I ADE000256 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [1,1,0,0,0,0|0,0,0]=2 269 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [1,1,0,0,0,0|1,0,0]=3 270 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [1,1,0,0,0,0|1,0,0]=3 271 B8R1.5 NC1=C(C=NC=N1)Br CDS020752 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.5 NC1=CC=CC=C1O S378569 [1,1,0,0,0,0|0,0,0]=2 273 B8R1.5 NC1=CC=CC=[N+]1[O-] CDS014426 [1,1,0,0,0,0|1,0,0]=3 274 B8R1.5 NC1=CC=CN=C1O CDS007860 [1,1,0,0,0,0|1,0,0]=3 275 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [1,1,0,0,0,0|1,0,0]=3 276 B8R1.5 O=C1C=CC=CN1[K] T160997 [1,1,0,0,0,0|2,0,0]=4 277 B8R1.5 O=C1NC=CC=C1Cl T161063 [1,1,0,0,0,0|2,0,0]=4 278 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [1,1,0,0,0,0|2,0,0]=4 279 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [1,1,0,0,0,0|2,0,0]=4 280 B8R1.5 OC1=CN=CC=C1Br CDS021897 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.5 OC1=NC=CC=C1F CDS019950 [1,1,0,0,0,0|2,0,0]=4 282 B8R1.1 CNC1=NC=C(S1)Br CBR01741 [0,1,0,0,1,0|2,0,0]=4 283 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [0,1,0,0,1,0|2,0,0]=4 284 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [0,1,0,0,1,0|2,0,0]=4 285 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [0,1,0,0,1,0|2,0,0]=4 286 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [0,1,0,0,1,0|2,0,0]=4 287 B8R1.8 CCCN1C=CC=C1 PH010280 [0,1,0,0,1,0|2,0,0]=4 288 B8R1.8 CNCC1=CC=CS1 CDS004831 [0,1,0,0,1,0|1,0,0]=3 289 B8R1.8 CNCC1=CC=CS1 PH012021 [0,1,0,0,1,0|1,0,0]=3 290 B8R1.8 CNCC1=CSC=C1 PH015792 [0,1,0,0,1,0|1,0,0]=3 291 B8R1.8 CNCC1=NC=CN1 CBR00689 [0,1,0,0,1,0|2,0,0]=4 292 B8R1.8 NCCC1=CC=CO1 CBR02448 [0,1,0,0,1,0|2,0,0]=4 293 B8R1.8 NNCC1=CC=CS1 CBR01534 [0,1,0,0,1,0|2,0,0]=4 294 B8R1.8 OCCN1C=CC=C1 CDS000018 [0,1,0,0,1,0|2,0,0]=4 295 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [0,2,0,0,0,0|0,0,1]=3 296 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [0,2,0,0,0,0|0,0,1]=3 297 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [0,2,0,0,0,0|1,0,1]=4 298 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [0,2,0,0,0,0|1,0,1]=4 299 B10R1.1 CC1=CC=C(C=C1)C#CI RNI00066 [0,2,0,0,0,0|1,0,1]=4 300 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [0,2,0,0,0,0|1,0,0]=3 301 B10R1.1 CC1=CC=C(C=N1)CNN PH019120 [0,2,0,0,0,0|2,0,0]=4 302 B10R1.1 CC1=CN=C(C=C1)CNN PH019260 [0,2,0,0,0,0|2,0,0]=4 303 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [0,2,0,0,0,0|2,0,0]=4 304 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [0,2,0,0,0,0|1,0,0]=3 305 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [0,2,0,0,0,0|2,0,0]=4 306 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [0,2,0,0,0,0|0,0,0]=2 307 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [0,2,0,0,0,0|1,0,0]=3 308 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [0,2,0,0,0,0|1,0,0]=3 309 B10R1.1 CCOC1=NC=C(C=C1)N PH010489 [0,2,0,0,0,0|2,0,0]=4 310 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [0,2,0,0,0,0|1,0,0]=3 311 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [0,2,0,0,0,0|1,0,0]=3 312 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [0,2,0,0,0,0|0,0,0]=2 313 B10R1.1 CNCC1=CC=C(N=C1)Cl CBR01530 [0,2,0,0,0,0|1,0,0]=3 314 B10R1.1 COCC1=CC=C(C=C1)O S392596 [0,2,0,0,0,0|1,0,0]=3 315 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [0,2,0,0,0,0|1,0,0]=3 316 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [0,2,0,0,0,0|1,0,0]=3 317 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [0,2,0,0,0,0|1,0,1]=4 318 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [0,2,0,0,0,0|1,0,0]=3 319 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [0,2,0,0,0,0|1,0,0]=3 320 B10R1.1 O/N=C/C1=CC=C(C=C1)I S907146 [0,2,0,0,0,0|1,0,1]=4 321 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [0,2,0,0,0,0|1,0,1]=4 322 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [0,2,0,0,0,0|0,0,1]=3 323 B10R1.1 ON=CC1=CC=C(C=C1)Cl S520594 [0,2,0,0,0,0|1,0,1]=4 324 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [0,2,0,0,0,0|0,0,2]=4 325 B10R1.3 BrCC1=CC=C(C=C1)CBr S36308 [0,2,0,0,0,0|2,0,0]=4 326 B10R1.3 C#CC1=CC=C(C=N1)OC CDS023940 [0,2,0,0,0,0|2,0,0]=4 327 B10R1.3 C=CC1=CC=C(C=C1)C#N CDS000773 [0,2,0,0,0,0|1,0,1]=4 328 B10R1.3 CCC1=CC=C(C=C1)CN L480800 [0,2,0,0,0,0|1,0,0]=3 329 B10R1.3 CCC1=CN=C(C=C1)CCl PH018993 [0,2,0,0,0,0|2,0,0]=4 330 B10R1.3 CCC1=CN=C(C=C1)CN PH017759 [0,2,0,0,0,0|2,0,0]=4 331 B10R1.3 CCC1=CN=C(C=C1)CO CBR01470 [0,2,0,0,0,0|2,0,0]=4 332 B10R1.3 CNC1=CC=C(C=C1)N=O S396362 [0,2,0,0,0,0|0,0,0]=2 333 B10R1.3 CNC1=NC=C(C=C1)CN PH019550 [0,2,0,0,0,0|1,0,0]=3 334 B10R1.3 CNC1=NC=C(C=N1)C#N CBR01610 [0,2,0,0,0,0|2,0,0]=4 335 B10R1.3 COC1=CC=C(C=C1)[Hg]Cl S881198 [0,2,0,0,0,0|1,0,0]=3 336 B10R1.3 COC1=CN=C(C=C1)CCl CDS023439 [0,2,0,0,0,0|2,0,0]=4 337 B10R1.3 CSC1=CC=C(C=C1)CN CDS002972 [0,2,0,0,0,0|1,0,0]=3 338 B10R1.3 N#CC1=CC=C(C=C1)CN CDS003082 [0,2,0,0,0,0|2,0,0]=4 339 B10R1.3 N#CC1=CC=C(C=C1)CS OTV000790 [0,2,0,0,0,0|2,0,0]=4 340 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [0,2,0,0,0,0|2,0,0]=4 341 B10R1.3 NCC1=CC=C(C=C1)CO CDS017680 [0,2,0,0,0,0|2,0,0]=4 342 B10R1.3 [C-]#[N+]C1=CC=C(C=C1)CC PH015675 [0,2,0,0,0,0|1,0,0]=3 343 B10R1.13 BrC1=CC=C(C=C1)[Sb](I)I PH002149 [0,2,0,0,0,0|1,1,0]=4 344 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [0,2,0,0,0,0|1,0,0]=3 345 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [0,2,0,0,0,0|2,0,0]=4 346 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [0,2,0,0,0,0|2,0,0]=4 347 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [0,2,0,0,0,0|2,0,0]=4 348 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [0,2,0,0,0,0|1,0,0]=3 349 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [0,2,0,0,0,0|1,0,0]=3 350 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,2,0,0,0,0|2,0,0]=4 351 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [0,2,0,0,0,0|2,0,0]=4 352 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [0,2,0,0,0,0|0,0,0]=2 353 B10R1.13 CN(C)C1=NC=C(C=C1)Br SYX00280 [0,2,0,0,0,0|1,0,0]=3 354 B10R1.13 C[N+]1=CC=C(C=C1)[S+](C)C S887838 [0,2,0,0,0,0|2,0,0]=4 355 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [0,2,0,0,0,0|2,0,0]=4 356 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [0,2,0,0,0,0|2,0,0]=4 357 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [0,2,0,0,0,0|2,0,0]=4 358 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [0,2,0,0,0,0|2,0,0]=4 359 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [0,2,0,0,0,0|2,0,0]=4 360 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [0,2,0,0,0,0|2,0,0]=4 361 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,2,0,0,0,0|2,0,0]=4 362 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [0,2,0,0,0,0|2,0,0]=4 363 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [0,2,0,0,0,0|2,0,0]=4 364 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [0,2,0,0,0,0|2,0,0]=4 365 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [0,2,0,0,0,0|1,0,1]=4 366 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [0,2,0,0,0,0|2,0,0]=4 367 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [0,2,0,0,0,0|2,0,0]=4 368 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [0,2,0,0,0,0|2,0,0]=4 369 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [0,2,0,0,0,0|2,0,0]=4 370 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [0,2,0,0,0,0|2,0,0]=4 371 B10R1.25 CC1=CC(=CC=C1C#N)N CDS015445 [0,2,0,0,0,0|2,0,0]=4 372 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [0,2,0,0,0,0|2,0,0]=4 373 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [0,2,0,0,0,0|1,0,1]=4 374 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [0,2,0,0,0,0|2,0,0]=4 375 B10R1.25 CC[N+]1=CC=C(C=C1C)C S635375 [0,2,0,0,0,0|2,0,0]=4 376 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [0,2,0,0,0,0|1,0,0]=3 377 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [0,2,0,0,0,0|1,0,0]=3 378 B10R1.25 COC1=C(N=C(C=C1)N)Cl PHB00092 [0,2,0,0,0,0|2,0,0]=4 379 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [0,2,0,0,0,0|1,0,0]=3 380 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [0,2,0,0,0,0|1,0,0]=3 381 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [0,2,0,0,0,0|1,0,0]=3 382 B10R1.25 COC1=CC=C(N=C1Br)I ADE000467 [0,2,0,0,0,0|2,0,0]=4 383 B10R1.25 COC1=CC=C(N=C1I)I ADE000548 [0,2,0,0,0,0|2,0,0]=4 384 B10R1.25 COC1=CC=[N+](C=C1C)C S580449 [0,2,0,0,0,0|2,0,0]=4 385 B10R1.25 COC1=NC=C(C=C1I)Br ADE000276 [0,2,0,0,0,0|2,0,0]=4 386 B10R1.25 COC1=NC=C(C=C1I)C ADE000726 [0,2,0,0,0,0|2,0,0]=4 387 B10R1.25 COC1=NC=C(C=C1I)Cl ADE000169 [0,2,0,0,0,0|2,0,0]=4 388 B10R1.25 COC1=NC=C(C=C1N)Br ADE000451 [0,2,0,0,0,0|2,0,0]=4 389 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [0,2,0,0,0,0|2,0,0]=4 390 B10R1.25 COC1=NC=C(C=C1O)Cl ADE000171 [0,2,0,0,0,0|2,0,0]=4 391 B10R1.25 FC1=CC(=CC=C1CS)Cl CDS003831 [0,2,0,0,0,0|2,0,0]=4 392 B10R1.25 FC1=CC=C(C(=C1)Cl)CBr CDS001435 [0,2,0,0,0,0|2,0,0]=4 393 B10R1.25 N#CC1=CC=C(C=C1Cl)Cl S654361 [0,2,0,0,0,0|2,0,0]=4 394 B10R1.25 NCC1=CC=C(C=C1F)Br CDS003182 [0,2,0,0,0,0|2,0,0]=4 395 B10R1.25 NNC1=C(C=C(C=C1)Cl)Br PH008591 [0,2,0,0,0,0|1,0,0]=3 396 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [0,2,0,0,0,0|2,0,0]=4 397 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [0,2,0,0,0,0|2,0,0]=4 398 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [0,2,0,0,0,0|2,0,0]=4 399 B10R1.176 C(=O)C1=CC(=C(C=C1)Br)Br R277363 [0,2,0,0,0,0|2,0,0]=4 400 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [0,2,0,0,0,0|2,0,0]=4 401 B10R1.176 CC1=C(C=CC(=C1)C#N)N CDS001194 [0,2,0,0,0,0|2,0,0]=4 402 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [0,2,0,0,0,0|2,0,0]=4 403 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [0,2,0,0,0,0|2,0,0]=4 404 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [0,2,0,0,0,0|1,0,1]=4 405 B10R1.176 CC1=CC=C(C=C1C)C#N S454001 [0,2,0,0,0,0|2,0,0]=4 406 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [0,2,0,0,0,0|2,0,0]=4 407 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [0,2,0,0,0,0|1,0,0]=3 408 B10R1.176 CC[N+]1=CC=C(C(=C1)C)C S621005 [0,2,0,0,0,0|2,0,0]=4 409 B10R1.176 CNC1=CC(=C(C=N1)Br)C CDS022503 [0,2,0,0,0,0|1,0,0]=3 410 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [0,2,0,0,0,0|1,0,0]=3 411 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [0,2,0,0,0,0|1,0,0]=3 412 B10R1.176 COC1=CC(=C(C=N1)N)C CDS017400 [0,2,0,0,0,0|2,0,0]=4 413 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [0,2,0,0,0,0|1,0,0]=3 414 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [0,2,0,0,0,0|1,0,0]=3 415 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [0,2,0,0,0,0|1,0,0]=3 416 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [0,2,0,0,0,0|1,0,0]=3 417 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [0,2,0,0,0,0|1,0,0]=3 418 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [0,2,0,0,0,0|1,0,0]=3 419 B10R1.176 CSC1=CC=C(C(=C1)Cl)Cl S696323 [0,2,0,0,0,0|1,0,0]=3 420 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [0,2,0,0,0,0|1,0,0]=3 421 B10R1.176 ClC1=CC(=CC=C1Br)CBr MNO000028 [0,2,0,0,0,0|2,0,0]=4 422 B10R1.176 FC1=C(C=C(C=C1)CBr)Cl CDS003168 [0,2,0,0,0,0|2,0,0]=4 423 B10R1.176 FC1=CC(=CC=C1Cl)CBr CDS019938 [0,2,0,0,0,0|2,0,0]=4 424 B10R1.176 FC1=CC=C(C=C1F)CS CDS003759 [0,2,0,0,0,0|2,0,0]=4 425 B10R1.176 N#CC1=CC(=C(C=C1)O)F CDS004642 [0,2,0,0,0,0|2,0,0]=4 426 B10R1.176 N#CC1=CC=C(C(=C1)F)Br CDS010530 [0,2,0,0,0,0|2,0,0]=4 427 B10R1.176 N#CC1=CC=C(C(=C1)O)F CDS022789 [0,2,0,0,0,0|2,0,0]=4 428 B10R1.176 NCC1=CC=C(C(=C1)Br)F CDS001554 [0,2,0,0,0,0|2,0,0]=4 429 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [0,2,0,0,0,0|2,0,0]=4 430 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [0,2,0,0,0,0|1,0,1]=4 431 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [0,2,0,0,0,0|2,0,0]=4 432 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [0,2,0,0,0,0|2,0,0]=4 433 B10R1.176 [C-]#[N+]C1=CC=C(C(=C1)C)C PH014891 [0,2,0,0,0,0|0,0,2]=4 434 B10R1.2 CC1=C(C(=CC=C1)C#N)C S445304 [0,2,0,0,0,0|2,0,0]=4 435 B10R1.2 CC1=C(C(=CC=C1)CBr)C CDS022040 [0,2,0,0,0,0|2,0,0]=4 436 B10R1.2 CC1=C(C=CC=C1CO)Cl CDS023048 [0,2,0,0,0,0|2,0,0]=4 437 B10R1.2 CC1=C(C=CC=C1NN)Cl CBR00783 [0,2,0,0,0,0|1,0,0]=3 438 B10R1.2 CC1=CC=CC(=C1C)NN R436321 [0,2,0,0,0,0|1,0,0]=3 439 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [0,2,0,0,0,0|1,0,0]=3 440 B10R1.2 COC1=C(C(=NC=C1)N)I ADE000406 [0,2,0,0,0,0|2,0,0]=4 441 B10R1.2 COC1=C(C(=NC=C1)N)N PH019206 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [0,2,0,0,0,0|1,0,0]=3 443 B10R1.2 COC1=CC=CC(=C1N)Br CDS022850 [0,2,0,0,0,0|1,0,0]=3 444 B10R1.2 COC1=CN=CC(=C1C)N ADE000538 [0,2,0,0,0,0|2,0,0]=4 445 B10R1.2 COC1=CN=CC(=C1Cl)N ADE000480 [0,2,0,0,0,0|2,0,0]=4 446 B10R1.2 COC1=CN=CC(=C1I)N ADE000461 [0,2,0,0,0,0|2,0,0]=4 447 B10R1.2 COC1=NC=CC(=C1Cl)O CDS024134 [0,2,0,0,0,0|2,0,0]=4 448 B10R1.2 ClC1=C(C(=CC=C1)CBr)Cl CDS003275 [0,2,0,0,0,0|2,0,0]=4 449 B10R1.2 ClCC1=CC=CC(=C1Cl)Cl CDS013551 [0,2,0,0,0,0|2,0,0]=4 450 B10R1.2 FC1=C(C=CC=C1CBr)Cl CDS003049 [0,2,0,0,0,0|2,0,0]=4 451 B10R1.2 NNC1=CC=CC(=C1Cl)Cl S455369 [0,2,0,0,0,0|1,0,0]=3 452 B10R1.2 O=CC1=C(C(=CC=C1)O)Br CDS004521 [0,2,0,0,0,0|2,0,0]=4 453 B10R1.2 O=CC1=CC=CC(=C1F)Br CDS017326 [0,2,0,0,0,0|2,0,0]=4 454 B10R1.2 O=CC1=CC=CC(=C1F)O PH015405 [0,2,0,0,0,0|2,0,0]=4 455 B10R1.2 OCC1=C(C(=CC=C1)Cl)F CDS021698 [0,2,0,0,0,0|2,0,0]=4 456 B10R1.2 OCC1=CC=CC(=C1F)Br CDS016758 [0,2,0,0,0,0|2,0,0]=4 457 B10R1.8 C#CC1=CC(=CC(=C1)C)C CDS021024 [0,2,0,0,0,0|1,0,1]=4 458 B10R1.8 CC1=CC(=CC(=C1)C=O)F CDS010702 [0,2,0,0,0,0|2,0,0]=4 459 B10R1.8 CC1=CC(=CC(=C1)CN)C CDS003079 [0,2,0,0,0,0|2,0,0]=4 460 B10R1.8 CNC1=NC(=NC(=C1)C)Cl CBR00058 [0,2,0,0,0,0|2,0,0]=4 461 B10R1.8 COC1=CC(=[O+]C(=C1)C)C R251313 [0,2,0,0,0,0|2,0,0]=4 462 B10R1.8 COC1=CC(=[O+]C(=C1)C)C S242004 [0,2,0,0,0,0|2,0,0]=4 463 B10R1.8 COC1=CC(=[O+]C(=C1)C)C S272183 [0,2,0,0,0,0|2,0,0]=4 464 B10R1.8 CSC1=CC(=[O+]C(=C1)C)C S874264 [0,2,0,0,0,0|2,0,0]=4 465 B10R1.8 CSC1=CC(=[S+]C(=C1)C)C S874256 [0,2,0,0,0,0|2,0,0]=4 466 B10R1.8 ClCC1=CC(=CC(=C1)Cl)Cl PH011765 [0,2,0,0,0,0|2,0,0]=4 467 B10R1.8 FC1=CC(=CC(=C1)CS)F CDS003557 [0,2,0,0,0,0|2,0,0]=4 468 B10R1.8 N#CC1=CC(=CC(=C1)Br)F CDS003867 [0,2,0,0,0,0|2,0,0]=4 469 B10R1.8 N#CC1=CC(=CC(=C1)Cl)O CDS015881 [0,2,0,0,0,0|2,0,0]=4 470 B10R1.8 N#CC1=CC(=CC(=C1)F)N CDS010984 [0,2,0,0,0,0|2,0,0]=4 471 B10R1.8 O=CC1=CC(=CC(=C1)Cl)F L300993 [0,2,0,0,0,0|2,0,0]=4 472 B10R1.8 OCC1=CC(=CC(=C1)F)Cl L300985 [0,2,0,0,0,0|2,0,0]=4 473 B10R1.8 [C-]#[N+]C1=CC(=CC(=C1)C)C PH015602 [0,2,0,0,0,0|0,0,2]=4 474 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [0,2,0,0,0,0|1,0,1]=4 475 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [0,2,0,0,0,0|0,0,1]=3 476 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [0,2,0,0,0,0|1,0,0]=3 477 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [0,2,0,0,0,0|2,0,0]=4 478 B10R1.10 CC1=CC=CC(=N1)CNN PH019298 [0,2,0,0,0,0|2,0,0]=4 479 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [0,2,0,0,0,0|2,0,0]=4 480 B10R1.10 CC1=NC=CC(=C1)CNN PH019247 [0,2,0,0,0,0|2,0,0]=4 481 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [0,2,0,0,0,0|1,0,0]=3 482 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [0,2,0,0,0,0|0,0,0]=2 483 B10R1.10 CCNC1=NC(=NC=C1)Cl CBR00491 [0,2,0,0,0,0|2,0,0]=4 484 B10R1.10 CCOC1=CC(=CC=N1)Br CDS009065 [0,2,0,0,0,0|2,0,0]=4 485 B10R1.10 CCOC1=NC(=CC=C1)Cl S446335 [0,2,0,0,0,0|2,0,0]=4 486 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [0,2,0,0,0,0|1,0,0]=3 487 B10R1.10 CNCC1=CC=CC(=N1)N PH015469 [0,2,0,0,0,0|1,0,0]=3 488 B10R1.10 CNCC1=NC(=CC=C1)C S363774 [0,2,0,0,0,0|1,0,0]=3 489 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [0,2,0,0,0,0|0,0,0]=2 490 B10R1.10 COCC1=CC=CC(=N1)C S352160 [0,2,0,0,0,0|2,0,0]=4 491 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [0,2,0,0,0,0|1,0,0]=3 492 B10R1.10 ClC1=CC(=CC=C1)C#CI RNI00103 [0,2,0,0,0,0|1,0,1]=4 493 B10R1.10 FC1=CC=CC(=C1)C#CI RNI00108 [0,2,0,0,0,0|1,0,1]=4 494 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [0,2,0,0,0,0|1,0,0]=3 495 B10R1.10 NC1=CC(=CC=C1)C=NO PH009193 [0,2,0,0,0,0|1,0,1]=4 496 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [0,2,0,0,0,0|1,0,0]=3 497 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [0,2,0,0,0,0|1,0,0]=3 498 B10R1.10 O/N=C/C1=CC=CC(=C1)I S907049 [0,2,0,0,0,0|1,0,1]=4 499 B10R1.10 O/N=C\C1=CC(=CC=C1)Cl L169935 [0,2,0,0,0,0|1,0,1]=4 500 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [0,2,0,0,0,0|1,0,1]=4 501 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [0,2,0,0,0,0|0,0,1]=3 502 B10R1.10 ON=CC1=CC=CC(=C1)F S550558 [0,2,0,0,0,0|1,0,1]=4 503 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [0,2,0,0,0,0|0,0,2]=4 504 B10R1.30 C#CC1=C(C=CC(=C1)C)N RNI00125 [0,2,0,0,0,0|1,0,1]=4 505 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [0,2,0,0,0,0|2,0,0]=4 506 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [0,2,0,0,0,0|2,0,0]=4 507 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [0,2,0,0,0,0|2,0,0]=4 508 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [0,2,0,0,0,0|2,0,0]=4 509 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [0,2,0,0,0,0|2,0,0]=4 510 B10R1.30 CC1=CC=C(C=C1CN)Cl CDS002947 [0,2,0,0,0,0|2,0,0]=4 511 B10R1.30 CC1=CC=C(C=C1NN)Cl S513245 [0,2,0,0,0,0|1,0,0]=3 512 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [0,2,0,0,0,0|1,0,0]=3 513 B10R1.30 CCC1=C(C=CC(=N1)Cl)C CBR01609 [0,2,0,0,0,0|2,0,0]=4 514 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [0,2,0,0,0,0|1,0,0]=3 515 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [0,2,0,0,0,0|1,0,0]=3 516 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [0,2,0,0,0,0|1,0,0]=3 517 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [0,2,0,0,0,0|1,0,0]=3 518 B10R1.30 CNC1=C(C=NC(=N1)Cl)F CBR00088 [0,2,0,0,0,0|2,0,0]=4 519 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [0,2,0,0,0,0|0,0,0]=2 520 B10R1.30 CNC1=CC(=NN=C1Cl)Cl T163481 [0,2,0,0,0,0|2,0,0]=4 521 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [0,2,0,0,0,0|2,0,0]=4 522 B10R1.30 COC1=C(N=CC(=C1)O)I ADE000212 [0,2,0,0,0,0|2,0,0]=4 523 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [0,2,0,0,0,0|1,0,0]=3 524 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [0,2,0,0,0,0|1,0,0]=3 525 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [0,2,0,0,0,0|1,0,0]=3 526 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [0,2,0,0,0,0|1,0,0]=3 527 B10R1.30 COC1=CC(=CN=C1Br)Br ADE000499 [0,2,0,0,0,0|2,0,0]=4 528 B10R1.30 COC1=CC(=CN=C1Br)I ADE000493 [0,2,0,0,0,0|2,0,0]=4 529 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [0,2,0,0,0,0|2,0,0]=4 530 B10R1.30 COC1=CC(=CN=C1Cl)Cl ADE000192 [0,2,0,0,0,0|2,0,0]=4 531 B10R1.30 COC1=CC(=CN=C1I)Br ADE000418 [0,2,0,0,0,0|2,0,0]=4 532 B10R1.30 COC1=CC(=CN=C1I)I ADE000564 [0,2,0,0,0,0|2,0,0]=4 533 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [0,2,0,0,0,0|1,0,0]=3 534 B10R1.30 CSC1=CC(=CC=C1Cl)Cl S393142 [0,2,0,0,0,0|1,0,0]=3 535 B10R1.30 ClC1=CC(=C(C=C1)Br)CBr PH000507 [0,2,0,0,0,0|2,0,0]=4 536 B10R1.30 FC1=CC=C(C(=C1)CBr)Br CDS003096 [0,2,0,0,0,0|2,0,0]=4 537 B10R1.30 N#CC1=C(C=CC(=C1)N)O CBR02119 [0,2,0,0,0,0|2,0,0]=4 538 B10R1.30 N#CC1=CC(=CC=C1Br)Cl CDS003564 [0,2,0,0,0,0|2,0,0]=4 539 B10R1.30 N#CC1=CC(=CC=C1Cl)N CDS017173 [0,2,0,0,0,0|2,0,0]=4 540 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [0,2,0,0,0,0|2,0,0]=4 541 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [0,2,0,0,0,0|2,0,0]=4 542 B10R1.30 NCC1=CC(=CC=C1Cl)Br CDS023703 [0,2,0,0,0,0|2,0,0]=4 543 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [0,2,0,0,0,0|2,0,0]=4 545 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [0,2,0,0,0,0|2,0,0]=4 546 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [0,2,0,0,0,0|2,0,0]=4 547 B10R1.113 BrC1=CC(=CC=C1)C(Br)Br S600709 [0,2,0,0,0,0|2,0,0]=4 548 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [0,2,0,0,0,0|1,0,0]=3 549 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [0,2,0,0,0,0|2,0,0]=4 550 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [0,2,0,0,0,0|2,0,0]=4 551 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [0,2,0,0,0,0|1,0,0]=3 552 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [0,2,0,0,0,0|1,0,0]=3 553 B10R1.113 CC(C)C1=CC=CC(=N1)N CDS009744 [0,2,0,0,0,0|2,0,0]=4 554 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [0,2,0,0,0,0|1,0,0]=3 555 B10R1.113 CC(O)C1=CC=CC(=N1)N PH018818 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.113 CC(O)C1=C[N+](=CC=C1)[O-] S668419 [0,2,0,0,0,0|2,0,0]=4 557 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [0,2,0,0,0,0|1,0,0]=3 558 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [0,2,0,0,0,0|1,0,0]=3 559 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [0,2,0,0,0,0|0,0,0]=2 561 B10R1.113 CN(C)C1=CC(=NC=N1)Cl CBR00409 [0,2,0,0,0,0|2,0,0]=4 562 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [0,2,0,0,0,0|0,0,0]=2 563 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [0,2,0,0,0,0|0,0,0]=2 564 B10R1.113 CN(C)C1=CC=CC(=N1)Br CDS004323 [0,2,0,0,0,0|1,0,0]=3 565 B10R1.113 CN(C)C1=CN=CC(=N1)I SYX00371 [0,2,0,0,0,0|2,0,0]=4 566 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [0,2,0,0,0,0|0,0,0]=2 567 B10R1.113 FC1=CC=CC(=C1)C(F)F MNO000026 [0,2,0,0,0,0|2,0,0]=4 568 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [0,2,0,0,0,0|2,0,0]=4 569 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [0,2,0,0,0,0|2,0,0]=4 570 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [0,2,0,0,0,0|2,0,0]=4 571 B10R1.113 NC1=CC(=CC=C1)C(F)F MNO000180 [0,2,0,0,0,0|2,0,0]=4 572 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [0,2,0,0,0,0|1,0,1]=4 573 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [0,2,0,0,0,0|2,0,0]=4 574 B10R1.172 C#CC1=CC=CC(=C1)C#N PH000486 [0,2,0,0,0,0|1,0,1]=4 575 B10R1.172 C(=O)C1=CC=CC(=C1)[Hg]Cl S881856 [0,2,0,0,0,0|2,0,0]=4 576 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [0,2,0,0,0,0|1,0,0]=3 577 B10R1.172 COC1=CC(=CC=N1)CO KOB0133 [0,2,0,0,0,0|2,0,0]=4 578 B10R1.172 COC1=CC(=NC=C1)CO ADE000337 [0,2,0,0,0,0|2,0,0]=4 579 B10R1.172 COC1=CC=CC(=N1)CN CDS023584 [0,2,0,0,0,0|2,0,0]=4 580 B10R1.172 COC1=CC=CC(=N1)CO ADE000358 [0,2,0,0,0,0|2,0,0]=4 581 B10R1.172 COC1=CN=CC(=C1)C#N ADE000443 [0,2,0,0,0,0|2,0,0]=4 582 B10R1.172 COC1=CN=CC(=C1)CO ADE000457 [0,2,0,0,0,0|2,0,0]=4 583 B10R1.172 COC1=NC(=CC=C1)CCl CDS023330 [0,2,0,0,0,0|2,0,0]=4 584 B10R1.172 COC1=NC=CC(=C1)CBr CDS024133 [0,2,0,0,0,0|2,0,0]=4 585 B10R1.172 CSC1=CC=CC(=C1)CN CBR01014 [0,2,0,0,0,0|1,0,0]=3 586 B10R1.172 N#CC1=CC(=CC=C1)CS OTV000789 [0,2,0,0,0,0|2,0,0]=4 587 B10R1.172 NCC1=CC=CC(=C1)CO CBR00928 [0,2,0,0,0,0|2,0,0]=4 588 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,2,0,0,0,0|1,0,0]=3 589 B10R1.15 C/C(=N\O)/C1=CC=NC=C1 S101478 [0,2,0,0,0,0|2,0,0]=4 590 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [0,2,0,0,0,0|2,0,0]=4 591 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,2,0,0,0,0|1,0,0]=3 592 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [0,2,0,0,0,0|1,0,0]=3 593 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [0,2,0,0,0,0|1,0,0]=3 594 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [0,2,0,0,0,0|1,0,0]=3 595 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [0,2,0,0,0,0|2,0,0]=4 596 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [0,2,0,0,0,0|2,0,0]=4 597 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [0,2,0,0,0,0|2,0,0]=4 598 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [0,2,0,0,0,0|2,0,0]=4 599 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [0,2,0,0,0,0|0,0,0]=2 600 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [0,2,0,0,0,0|0,0,0]=2 601 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [0,2,0,0,0,0|0,0,0]=2 602 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [0,2,0,0,0,0|0,0,0]=2 603 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [0,2,0,0,0,0|0,0,0]=2 604 B10R1.15 CNC(C)C1=CC=NC=N1 CBR00694 [0,2,0,0,0,0|2,0,0]=4 605 B10R1.15 CSC(=N)C1=CC=CC=N1 BOG00223 [0,2,0,0,0,0|2,0,0]=4 606 B10R1.15 CSC(=N)C1=CC=NC=C1 BOG00224 [0,2,0,0,0,0|2,0,0]=4 607 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,2,0,0,0,0|1,0,0]=3 608 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [0,2,0,0,0,0|1,0,0]=3 609 B10R1.15 N#CN(N)C1=CC=CC=C1 PH008710 [0,2,0,0,0,0|0,0,1]=3 610 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [0,2,0,0,0,0|1,0,1]=4 611 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [0,2,0,0,0,0|1,0,0]=3 612 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [0,2,0,0,0,0|2,0,0]=4 613 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [0,2,0,0,0,0|2,0,0]=4 614 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [0,2,0,0,0,0|1,0,0]=3 615 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [0,2,0,0,0,0|1,0,0]=3 616 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [0,2,0,0,0,0|2,0,0]=4 617 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [0,2,0,0,0,0|2,0,0]=4 618 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [0,2,0,0,0,0|1,0,0]=3 619 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [0,2,0,0,0,0|2,0,0]=4 620 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [0,2,0,0,0,0|2,0,0]=4 621 B10R1.28 Br[Te](Br)(Br)C1=CC=CC=C1 S949361 [0,2,0,0,0,0|2,0,0]=4 622 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [0,2,0,0,0,0|1,0,0]=3 623 B10R1.28 CC(C)(O)C1=CN=CC=C1 PH009821 [0,2,0,0,0,0|2,0,0]=4 624 B10R1.28 CP(=S)(C)C1=CC=CC=C1 S543330 [0,2,0,0,0,0|0,1,0]=3 625 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 R750611 [0,2,0,0,0,0|0,0,1]=3 626 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S370363 [0,2,0,0,0,0|0,0,1]=3 627 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S96440 [0,2,0,0,0,0|0,0,1]=3 628 B10R1.28 C[Sn](C)(C)C1=CC=NC=C1 PH000422 [0,2,0,0,0,0|2,0,0]=4 629 B10R1.28 C[Te](Br)(Br)C1=CC=CC=C1 S14827 [0,2,0,0,0,0|1,0,0]=3 630 B10R1.28 Cl[Te](Cl)(Cl)C1=CC=CC=C1 S940674 [0,2,0,0,0,0|2,0,0]=4 631 B10R1.28 O=P([O-])([O-])C1=CC=CC=C1 S828351 [0,2,0,0,0,0|1,1,0]=4 632 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 S828335 [0,2,0,0,0,0|2,0,0]=4 633 B10R1.28 S=P(Cl)(Cl)C1=CC=CC=C1 CDS000508 [0,2,0,0,0,0|1,1,0]=4 634 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,2,0,0,0,0|1,0,0]=3 635 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [0,2,0,0,0,0|1,0,0]=3 636 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [0,2,0,0,0,0|1,0,0]=3 637 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [0,2,0,0,0,0|1,0,0]=3 638 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [0,2,0,0,0,0|1,0,0]=3 639 B10R1.61 CC(O)C1=CC=CC=[N+]1C S236144 [0,2,0,0,0,0|2,0,0]=4 640 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [0,2,0,0,0,0|2,0,0]=4 641 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [0,2,0,0,0,0|2,0,0]=4 642 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [0,2,0,0,0,0|1,0,0]=3 643 B10R1.61 CC1=CC=CN=C1C(C)N CBR00418 [0,2,0,0,0,0|2,0,0]=4 644 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [0,2,0,0,0,0|0,0,0]=2 645 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [0,2,0,0,0,0|1,0,0]=3 646 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [0,2,0,0,0,0|1,0,0]=3 647 B10R1.61 FC1=C(C=CC=C1)C(F)F MNO000027 [0,2,0,0,0,0|2,0,0]=4 648 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [0,2,0,0,0,0|2,0,0]=4 649 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [0,2,0,0,0,0|2,0,0]=4 650 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [0,2,0,0,0,0|2,0,0]=4 651 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [0,2,0,0,0,0|2,0,0]=4 652 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [0,2,0,0,0,0|2,0,0]=4 653 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [0,2,0,0,0,0|1,0,1]=4 654 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [0,2,0,0,0,0|1,0,1]=4 655 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [0,2,0,0,0,0|2,0,0]=4 656 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [0,2,0,0,0,0|2,0,0]=4 657 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [0,2,0,0,0,0|0,0,1]=3 658 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [0,2,0,0,0,0|0,0,1]=3 659 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [0,2,0,0,0,0|0,0,1]=3 660 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [0,2,0,0,0,0|1,0,1]=4 661 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [0,2,0,0,0,0|1,0,0]=3 662 B10R1.4 CC1=C(N=CC=C1)NC=O S906697 [0,2,0,0,0,0|1,0,1]=4 663 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [0,2,0,0,0,0|1,0,0]=3 664 B10R1.4 CC1=CC=CN=C1CCN CDS009037 [0,2,0,0,0,0|2,0,0]=4 665 B10R1.4 CC1=NC=CC=C1CNN PH019261 [0,2,0,0,0,0|2,0,0]=4 666 B10R1.4 CCNC1=CC=CC=C1C S571016 [0,2,0,0,0,0|0,0,0]=2 667 B10R1.4 CCOC1=CC=CC=C1F S362085 [0,2,0,0,0,0|1,0,0]=3 668 B10R1.4 CCOC1=NC=CC=C1I ADE000294 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [0,2,0,0,0,0|1,0,0]=3 670 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [0,2,0,0,0,0|0,0,0]=2 671 B10R1.4 CNCC1=CC=CN=C1Cl CBR00860 [0,2,0,0,0,0|1,0,0]=3 672 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [0,2,0,0,0,0|1,0,0]=3 673 B10R1.4 CSCC1=CC=CC=C1Br S663395 [0,2,0,0,0,0|1,0,0]=3 674 B10R1.4 ClC1=CC=CC=C1C#CI RNI00102 [0,2,0,0,0,0|1,0,1]=4 675 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [0,2,0,0,0,0|1,0,0]=3 676 B10R1.4 NCCN1C=CC=CC1=O PH019084 [0,2,0,0,0,0|2,0,0]=4 677 B10R1.4 NCCN1C=CC=CC1=O T300829 [0,2,0,0,0,0|2,0,0]=4 678 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [0,2,0,0,0,0|1,0,0]=3 679 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [0,2,0,0,0,0|1,0,1]=4 680 B10R1.4 O=C1C=CC=CN1CCO T161284 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [0,2,0,0,0,0|1,0,1]=4 682 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [0,2,0,0,0,0|0,0,1]=3 683 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [0,2,0,0,0,0|0,0,0]=2 684 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [0,2,0,0,0,0|1,0,0]=3 685 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [0,2,0,0,0,0|1,0,0]=3 686 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [0,2,0,0,0,0|1,0,0]=3 687 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [0,2,0,0,0,0|1,0,0]=3 688 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [0,2,0,0,0,0|0,0,1]=3 689 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [0,2,0,0,0,0|1,0,0]=3 690 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [0,2,0,0,0,0|1,0,0]=3 691 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [0,2,0,0,0,0|2,0,0]=4 692 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [0,2,0,0,0,0|1,0,0]=3 693 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [0,2,0,0,0,0|1,0,0]=3 694 B10R1.17 CNCCC1=NC=CC=C1 R750492 [0,2,0,0,0,0|1,0,0]=3 695 B10R1.17 COCCC1=CC=NC=C1 PH007374 [0,2,0,0,0,0|2,0,0]=4 696 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [0,2,0,0,0,0|1,0,0]=3 697 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [0,2,0,0,0,0|2,0,0]=4 698 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.17 N#CCCC1=NC=CC=C1 CBR00364 [0,2,0,0,0,0|2,0,0]=4 700 B10R1.17 N#CCNC1=CC=CC=C1 CDS003237 [0,2,0,0,0,0|0,0,0]=2 701 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [0,2,0,0,0,0|1,0,0]=3 702 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [0,2,0,0,0,0|2,0,0]=4 703 B10R1.17 [C-]#[N+]CCC1=NC=CC=C1 PH015418 [0,2,0,0,0,0|2,0,0]=4 704 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [0,2,0,0,0,0|1,0,0]=3 705 B10R1.18 BrC(Br)[Hg]C1=CC=CC=C1 S110507 [0,2,0,0,0,0|1,0,0]=3 706 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,2,0,0,0,0|1,0,0]=3 707 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,2,0,0,0,0|2,0,0]=4 708 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,2,0,0,0,0|2,0,0]=4 709 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [0,2,0,0,0,0|2,0,0]=4 710 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [0,2,0,0,0,0|2,0,0]=4 711 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [0,2,0,0,0,0|1,0,0]=3 712 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [0,2,0,0,0,0|1,0,0]=3 713 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [0,2,0,0,0,0|2,0,0]=4 714 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [0,2,0,0,0,0|0,0,0]=2 715 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [0,2,0,0,0,0|0,0,0]=2 716 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [0,2,0,0,0,0|1,0,0]=3 717 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [0,2,0,0,0,0|0,0,0]=2 718 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [0,2,0,0,0,0|0,0,1]=3 719 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [0,2,0,0,0,0|1,0,1]=4 720 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [0,2,0,0,0,0|1,0,1]=4 721 B10R1.20 C#CC1=CC=CC=C1C#N CDS017415 [0,2,0,0,0,0|1,0,1]=4 722 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [0,2,0,0,0,0|1,0,1]=4 723 B10R1.20 CNC1=CC=CC=C1C#N PH010322 [0,2,0,0,0,0|0,0,0]=2 724 B10R1.20 CNC1=CC=CC=C1CN PH016819 [0,2,0,0,0,0|0,0,0]=2 725 B10R1.20 CNC1=CC=CN=C1NC PH018784 [0,2,0,0,0,0|1,0,0]=3 726 B10R1.20 COC1=CC=CC=C1NN S264407 [0,2,0,0,0,0|1,0,0]=3 727 B10R1.20 COC1=CC=CC=C1[Hg]Cl S826243 [0,2,0,0,0,0|1,0,0]=3 728 B10R1.20 COC1=CC=CN=C1C=O CDS007985 [0,2,0,0,0,0|2,0,0]=4 729 B10R1.20 COC1=NC=CC=C1C#N CBR01155 [0,2,0,0,0,0|2,0,0]=4 730 B10R1.20 CSC1=C(C=CC=C1)CCl OTV000976 [0,2,0,0,0,0|1,0,0]=3 731 B10R1.20 CSC1=CC=CC=C1CO PH002490 [0,2,0,0,0,0|1,0,0]=3 732 B10R1.20 O=CC1=C(C=CC=C1)[Te]Br S50270 [0,2,0,0,0,0|2,0,0]=4 733 B10R1.245 C#CC1=C(C=CC=C1Cl)Cl CDS021281 [0,2,0,0,0,0|1,0,1]=4 734 B10R1.245 C#CC1=C(C=CC=C1F)F CDS021025 [0,2,0,0,0,0|1,0,1]=4 735 B10R1.245 CC1=C(C(=CC=C1)Br)C=O CDS024325 [0,2,0,0,0,0|2,0,0]=4 736 B10R1.245 CC1=C(C(=CC=C1)Cl)CN CDS000918 [0,2,0,0,0,0|2,0,0]=4 737 B10R1.245 CC1=CC=CC(=C1CBr)C CDS022041 [0,2,0,0,0,0|2,0,0]=4 738 B10R1.245 CC1=CC=CC(=C1CBr)F CDS020960 [0,2,0,0,0,0|2,0,0]=4 739 B10R1.245 CC1=CC=CC(=C1CO)C PH002994 [0,2,0,0,0,0|2,0,0]=4 740 B10R1.245 COC1=C(C=CC=C1Br)N CDS023930 [0,2,0,0,0,0|1,0,0]=3 741 B10R1.245 COC1=C(C=CC=C1Cl)F CDS002901 [0,2,0,0,0,0|1,0,0]=3 742 B10R1.245 COC1=C(C=CN=C1Br)I ADE000177 [0,2,0,0,0,0|2,0,0]=4 743 B10R1.245 COC1=C(C=CN=C1Br)O ADE000159 [0,2,0,0,0,0|2,0,0]=4 744 B10R1.245 COC1=C(C=CN=C1C)Cl CDS024135 [0,2,0,0,0,0|2,0,0]=4 745 B10R1.245 FC1=CC=CC(=C1CS)F CDS006153 [0,2,0,0,0,0|2,0,0]=4 746 B10R1.245 NCC1=C(C=CC=C1Cl)Cl L480827 [0,2,0,0,0,0|2,0,0]=4 747 B8R1.22 O=C1C=CC=CC=C1 T166987 [0,0,1,1,0,0|2,0,0]=4 748 B10R2.41 ON1C2=CC=CC1C=C2 T281840 [0,0,0,1,0,1|1,0,0]=3 749 B10R2.335 O=C1C=CC2(C=C1)CO2 T273554 [0,1,0,1,0,0|1,0,1]=4 750 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,1,0,1,0,0|1,0,0]=3 751 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [0,1,0,1,0,0|0,0,2]=4 752 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [0,1,0,1,0,0|0,0,0]=2 753 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [0,1,0,1,0,0|0,0,2]=4 754 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [0,1,0,1,0,0|1,0,1]=4 755 B10R2.7 C1=CC2=C(C=N1)C=NN2 BLN00013 [0,1,0,1,0,0|1,0,1]=4 756 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [0,1,0,1,0,0|1,0,1]=4 757 B10R2.7 C1=CC2=C(C=N1)NN=C2 BLN00001 [0,1,0,1,0,0|1,0,1]=4 758 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [0,1,0,1,0,0|2,0,0]=4 759 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [0,1,0,1,0,0|1,0,1]=4 760 B10R2.7 C1=CN=C2C=NNC2=C1 BLN00003 [0,1,0,1,0,0|1,0,1]=4 761 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [0,1,0,1,0,0|0,0,2]=4 762 B6R1.2 BrC1=CC=CO1 CDS020809 [1,0,0,0,1,0|2,0,0]=4 763 B6R1.2 CC1=CC=NN1 CDS002430 [1,0,0,0,1,0|2,0,0]=4 764 B6R1.2 CC1=COC=C1 CDS019631 [1,0,0,0,1,0|1,0,0]=3 765 B6R1.2 CC1=NC=CS1 CDS000301 [1,0,0,0,1,0|2,0,0]=4 766 B6R1.2 N1C=CN=C1N CDS020502 [1,0,0,0,1,0|2,0,0]=4 767 B6R1.2 NC1=CN=CS1 CDS008189 [1,0,0,0,1,0|2,0,0]=4 768 B6R1.2 NC1=CSC=C1 PHB00043 [1,0,0,0,1,0|1,0,0]=3 769 B6R1.2 NC1=NC=CS1 R646520 [1,0,0,0,1,0|2,0,0]=4 770 B6R1.2 NN1C=CC=C1 CDS000078 [1,0,0,0,1,0|1,0,0]=3 771 B10R1.161 COC1=CC=CC=CC=C1 T179892 [0,0,0,0,0,2|1,0,0]=3 772 B10R1.161 COC1=NC=CCC=CC1 T174092 [0,0,0,0,0,2|1,0,1]=4 773 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [0,2,1,0,0,0|1,0,0]=4 774 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [1,2,0,0,0,0|0,0,0]=3 775 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [1,2,0,0,0,0|0,0,0]=3 776 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [1,2,0,0,0,0|0,0,0]=3 777 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [1,2,0,0,0,0|0,0,0]=3 778 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [1,2,0,0,0,0|0,0,0]=3 779 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [1,2,0,0,0,0|0,0,0]=3 780 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [1,2,0,0,0,0|0,0,0]=3 781 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [1,2,0,0,0,0|0,0,0]=3 782 B9R1.69 CC1=C(C=CC(=N1)N)I ADE000318 [1,2,0,0,0,0|1,0,0]=4 783 B9R1.69 CC1=C(C=CC(=N1)O)I BCH00049 [1,2,0,0,0,0|1,0,0]=4 784 B9R1.69 CC1=C(C=NC(=C1)N)I ADE000313 [1,2,0,0,0,0|1,0,0]=4 785 B9R1.69 CC1=C(C=[N+](C=C1)[O-])C T161616 [1,2,0,0,0,0|1,0,0]=4 786 B9R1.69 CC1=C(C=[N+](C=C1)[O-])Cl T161411 [1,2,0,0,0,0|1,0,0]=4 787 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [1,2,0,0,0,0|1,0,0]=4 788 B9R1.69 CC1=C(N=C(C=C1)Cl)I ADE001345 [1,2,0,0,0,0|1,0,0]=4 789 B9R1.69 CC1=C(N=CC(=C1)Br)F CDS003028 [1,2,0,0,0,0|1,0,0]=4 790 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [1,2,0,0,0,0|0,0,0]=3 791 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [1,2,0,0,0,0|0,0,0]=3 792 B9R1.69 CC1=CC(=C(N=C1)F)I SYX00020 [1,2,0,0,0,0|1,0,0]=4 793 B9R1.69 CC1=CC(=CC=C1N)N S442275 [1,2,0,0,0,0|0,0,0]=3 794 B9R1.69 CC1=CC(=CN=C1Br)N CDS014715 [1,2,0,0,0,0|1,0,0]=4 795 B9R1.69 CC1=CC(=CN=C1F)N CDS017686 [1,2,0,0,0,0|1,0,0]=4 796 B9R1.69 CC1=CC(=CN=C1N)I ADE000317 [1,2,0,0,0,0|1,0,0]=4 797 B9R1.69 CC1=CC(=NC=C1Cl)F CDS003110 [1,2,0,0,0,0|1,0,0]=4 798 B9R1.69 CC1=CC(=NC=C1N)Br CDS022688 [1,2,0,0,0,0|1,0,0]=4 799 B9R1.69 CC1=CC(=NC=C1N)Br PHB00200 [1,2,0,0,0,0|1,0,0]=4 800 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [1,2,0,0,0,0|0,0,0]=3 801 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [1,2,0,0,0,0|0,0,0]=3 802 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [1,2,0,0,0,0|0,0,0]=3 803 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [1,2,0,0,0,0|0,0,0]=3 804 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [1,2,0,0,0,0|0,0,0]=3 805 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [1,2,0,0,0,0|0,0,0]=3 806 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [1,2,0,0,0,0|1,0,0]=4 807 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [1,2,0,0,0,0|1,0,0]=4 808 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [1,2,0,0,0,0|1,0,0]=4 809 B9R1.69 CC1=CN=C(C(=C1)Cl)Cl ADE000749 [1,2,0,0,0,0|1,0,0]=4 810 B9R1.69 CC1=CN=C(C(=C1)I)Cl ADE000728 [1,2,0,0,0,0|1,0,0]=4 811 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [1,2,0,0,0,0|1,0,0]=4 812 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [1,2,0,0,0,0|1,0,0]=4 813 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [1,2,0,0,0,0|1,0,0]=4 814 B9R1.69 CC1=CN=C(C=C1I)Cl ADE000739 [1,2,0,0,0,0|1,0,0]=4 815 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [1,2,0,0,0,0|1,0,0]=4 816 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [1,2,0,0,0,0|1,0,0]=4 817 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [1,2,0,0,0,0|1,0,0]=4 818 B9R1.69 CC1=NC(=CC=C1F)Br CDS002984 [1,2,0,0,0,0|1,0,0]=4 819 B9R1.69 CC1=[N+](C=C(C=C1)O)[O-] S580147 [1,2,0,0,0,0|1,0,0]=4 820 B9R1.69 FC1=CC(=CC=C1Cl)Br CDS014130 [1,2,0,0,0,0|1,0,0]=4 821 B9R1.69 FC1=CC=C(C(=C1)Cl)Br CDS004020 [1,2,0,0,0,0|1,0,0]=4 822 B9R1.69 FC1=CC=C(C(=C1)Cl)I CDS003030 [1,2,0,0,0,0|1,0,0]=4 823 B9R1.69 FC1=CC=C(C(=C1)I)Cl CDS010723 [1,2,0,0,0,0|1,0,0]=4 824 B9R1.69 FC1=CC=C(C(=C1)S)F CDS011187 [1,2,0,0,0,0|1,0,0]=4 825 B9R1.69 FC1=CC=C(C=C1Br)S CDS008156 [1,2,0,0,0,0|1,0,0]=4 826 B9R1.69 NC1=C(C=C(C=C1)S)F KOB0167 [1,2,0,0,0,0|0,0,0]=3 827 B9R1.69 NC1=C(C=C(C=N1)I)I BCH00048 [1,2,0,0,0,0|1,0,0]=4 828 B9R1.69 NC1=CC(=C(C=N1)I)Cl ADE001302 [1,2,0,0,0,0|1,0,0]=4 829 B9R1.69 NC1=CC(=CN=C1Br)Br ADE000414 [1,2,0,0,0,0|1,0,0]=4 830 B9R1.69 NC1=CC(=CN=C1Br)I ADE000540 [1,2,0,0,0,0|1,0,0]=4 831 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [1,2,0,0,0,0|0,0,0]=3 832 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [1,2,0,0,0,0|0,0,0]=3 833 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [1,2,0,0,0,0|0,0,0]=3 834 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [1,2,0,0,0,0|0,0,0]=3 835 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [1,2,0,0,0,0|0,0,0]=3 836 B9R1.69 NC1=CC=C(C(=N1)Cl)Br ADE001344 [1,2,0,0,0,0|1,0,0]=4 837 B9R1.69 NC1=CC=C(C(=N1)Cl)I ADE001343 [1,2,0,0,0,0|1,0,0]=4 838 B9R1.69 NC1=CC=C(C=C1Cl)Cl S851930 [1,2,0,0,0,0|0,0,0]=3 839 B9R1.69 NC1=CC=C(N=C1Cl)Br ADE000545 [1,2,0,0,0,0|1,0,0]=4 840 B9R1.69 NC1=CC=C(N=C1Cl)I ADE000546 [1,2,0,0,0,0|1,0,0]=4 841 B9R1.69 NC1=NC(=CC=C1Cl)Cl R428159 [1,2,0,0,0,0|1,0,0]=4 842 B9R1.69 NC1=NC=C(C(=C1)Cl)Cl PHB00293 [1,2,0,0,0,0|1,0,0]=4 843 B9R1.69 NC1=NC=C(C=C1Br)Br R464333 [1,2,0,0,0,0|1,0,0]=4 844 B9R1.69 NC1=NC=C(C=C1I)Cl ADE000363 [1,2,0,0,0,0|1,0,0]=4 845 B9R1.69 NC1=NC=C(C=C1I)F ADE000390 [1,2,0,0,0,0|1,0,0]=4 846 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [1,2,0,0,0,0|1,0,0]=4 847 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [1,2,0,0,0,0|1,0,0]=4 848 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [1,2,0,0,0,0|1,0,0]=4 849 B9R1.69 [O-]C1=CC=C(C(=C1)Cl)Cl S697400 [1,2,0,0,0,0|1,0,0]=4 850 B9R1.3 BrC1=CC=CC(=C1I)Br S110086 [1,2,0,0,0,0|1,0,0]=4 851 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [1,2,0,0,0,0|0,0,0]=3 852 B9R1.3 CC1=C(C=CC=C1Br)F CDS003017 [1,2,0,0,0,0|0,0,0]=3 853 B9R1.3 CC1=C(C=CC=C1O)Cl CDS003050 [1,2,0,0,0,0|0,0,0]=3 854 B9R1.3 CC1=C(C=NC=C1Br)N CDS022526 [1,2,0,0,0,0|1,0,0]=4 855 B9R1.3 CC1=C([N+](=CC=C1)C)C S619205 [1,2,0,0,0,0|1,0,0]=4 856 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [1,2,0,0,0,0|0,0,0]=3 857 B9R1.3 CC1=CC=CC(=O)N1C T294608 [1,2,0,0,0,0|1,0,0]=4 858 B9R1.3 CC1=CC=CC(=[N+]1C)C R255319 [1,2,0,0,0,0|1,0,0]=4 859 B9R1.3 CC1=CC=CC(=[N+]1C)C S874248 [1,2,0,0,0,0|1,0,0]=4 860 B9R1.3 CC1=COC=C(C1=O)C T162310 [1,2,0,0,0,0|1,0,0]=4 861 B9R1.3 NC1=C(C(=CN=C1)Br)O ADE000768 [1,2,0,0,0,0|1,0,0]=4 862 B9R1.3 NC1=C(C(=NC=C1)Cl)I ADE000415 [1,2,0,0,0,0|1,0,0]=4 863 B9R1.3 NC1=C(C(=NC=C1)F)Br PHB00158 [1,2,0,0,0,0|1,0,0]=4 864 B9R1.3 NC1=C(C(=NC=C1)I)O ADE000631 [1,2,0,0,0,0|1,0,0]=4 865 B9R1.3 NC1=C(C=CC=C1Cl)I KOB0053 [1,2,0,0,0,0|0,0,0]=3 866 B9R1.3 NC1=C(C=CC=C1I)O CDS007998 [1,2,0,0,0,0|0,0,0]=3 867 B9R1.3 NC1=C(C=CC=C1O)O CDS003448 [1,2,0,0,0,0|0,0,0]=3 868 B9R1.3 NC1=C(C=CC=C1O)O PH009922 [1,2,0,0,0,0|0,0,0]=3 869 B9R1.3 NC1=C(C=NC=C1I)I VBP00076 [1,2,0,0,0,0|1,0,0]=4 870 B9R1.3 NC1=CC=CC(=C1Br)Cl CDS023345 [1,2,0,0,0,0|0,0,0]=3 871 B9R1.3 NC1=CC=CC(=C1Br)F CDS004255 [1,2,0,0,0,0|0,0,0]=3 872 B9R1.3 NC1=CC=CC(=C1F)Br CDS023142 [1,2,0,0,0,0|0,0,0]=3 873 B9R1.3 NC1=CC=CC(=C1N)Br CDS020072 [1,2,0,0,0,0|0,0,0]=3 874 B9R1.3 NC1=CC=CC(=C1N)F CDS011409 [1,2,0,0,0,0|0,0,0]=3 875 B9R1.3 NC1=CC=CC(=C1N)N S915041 [1,2,0,0,0,0|0,0,0]=3 876 B9R1.3 NC1=CC=CC(=C1O)Br CDS020010 [1,2,0,0,0,0|0,0,0]=3 877 B9R1.3 NC1=CC=CC(=C1O)Cl TMT00393 [1,2,0,0,0,0|0,0,0]=3 878 B9R1.3 NC1=NC=CC(=C1I)Cl ADE000408 [1,2,0,0,0,0|1,0,0]=4 879 B9R1.3 OC1=C(C(=CC=C1)Cl)F CDS003101 [1,2,0,0,0,0|1,0,0]=4 880 B9R1.3 SC1=CC=CC(=C1Cl)Cl R239429 [1,2,0,0,0,0|1,0,0]=4 881 B9R1.34 CC1=CC(=CC(=C1)Br)F CDS003810 [1,2,0,0,0,0|0,0,0]=3 882 B9R1.34 CC1=CC(=CC(=N1)C)N CDS019979 [1,2,0,0,0,0|1,0,0]=4 883 B9R1.34 CC1=CC(=CC(=N1)C)O PH010817 [1,2,0,0,0,0|1,0,0]=4 884 B9R1.34 CC1=CC(=CC(=N1)O)O PH010608 [1,2,0,0,0,0|1,0,0]=4 885 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [1,2,0,0,0,0|1,0,0]=4 886 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [1,2,0,0,0,0|1,0,0]=4 887 B9R1.34 CC1=CC(=NC(=C1)C)C SYX00268 [1,2,0,0,0,0|1,0,0]=4 888 B9R1.34 CC1=CC(=S)C=C(O1)C S874272 [1,2,0,0,0,0|1,0,0]=4 889 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S24105 [1,2,0,0,0,0|1,0,0]=4 890 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S626848 [1,2,0,0,0,0|1,0,0]=4 891 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S920134 [1,2,0,0,0,0|1,0,0]=4 892 B9R1.34 FC1=CC(=CC(=C1)S)F CDS003868 [1,2,0,0,0,0|1,0,0]=4 893 B9R1.34 NC1=CC(=CC(=C1)Cl)N S751774 [1,2,0,0,0,0|0,0,0]=3 894 B9R1.34 NC1=CC(=CC(=C1)F)Cl CDS002929 [1,2,0,0,0,0|0,0,0]=3 895 B9R1.34 NC1=NC(=CC(=C1)Cl)Cl CDS005457 [1,2,0,0,0,0|1,0,0]=4 896 B9R1.7 CNCC1=CC=C(O1)C CDS003835 [0,2,0,0,1,0|1,0,0]=4 897 B9R1.11 CNC(C)C1=CC=CS1 CBR01263 [0,2,0,0,1,0|1,0,0]=4 898 B9R1.13 CC(=O)NC1=CSC=C1 S943886 [0,2,0,0,1,0|1,0,0]=4 899 B9R1.33 N(C)CC1=CC=CN1C T316350 [0,2,0,0,1,0|1,0,0]=4 900 B11R1.1 BrCCOC1=CC=C(C=C1)Br S463000 [0,3,0,0,0,0|1,0,0]=4 901 B11R1.1 C#CCOC1=CC=C(C=C1)F CDS024010 [0,3,0,0,0,0|1,0,0]=4 902 B11R1.1 C#CCSC1=CC=C(C=C1)Br CDS024016 [0,3,0,0,0,0|1,0,0]=4 903 B11R1.1 C(=O)NNC1=CC=C(C=C1)C R751820 [0,3,0,0,0,0|0,0,1]=4 904 B11R1.1 C=CCOC1=CC=C(C=C1)C S433047 [0,3,0,0,0,0|1,0,0]=4 905 B11R1.1 C=CCSC1=CC=C(C=C1)Br S767891 [0,3,0,0,0,0|1,0,0]=4 906 B11R1.1 C=CCSC1=CC=C(C=C1)C S648388 [0,3,0,0,0,0|1,0,0]=4 907 B11R1.1 CC1=CC=C(C=C1)CCNN PH018986 [0,3,0,0,0,0|1,0,0]=4 908 B11R1.1 CC1=CC=C(C=C1)OCC#N S114081 [0,3,0,0,0,0|1,0,0]=4 909 B11R1.1 CC1=CC=C(C=C1)OCCBr PH000131 [0,3,0,0,0,0|1,0,0]=4 910 B11R1.1 CC1=CC=C(C=C1)OCCN OTV000145 [0,3,0,0,0,0|1,0,0]=4 911 B11R1.1 CC1=CC=C(C=C1)SCCO S550264 [0,3,0,0,0,0|1,0,0]=4 912 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [0,3,0,0,0,0|1,0,0]=4 913 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [0,3,0,0,0,0|1,0,0]=4 914 B11R1.1 CCCSC1=CC=C(C=C1)C S832839 [0,3,0,0,0,0|1,0,0]=4 915 B11R1.1 CCCSC1=CC=C(C=C1)N CBR01435 [0,3,0,0,0,0|1,0,0]=4 916 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [0,3,0,0,0,0|0,0,0]=3 917 B11R1.1 CSCSC1=CC=C(C=C1)C S592749 [0,3,0,0,0,0|1,0,0]=4 918 B11R1.1 ClCCSC1=CC=C(C=C1)Cl S614041 [0,3,0,0,0,0|1,0,0]=4 919 B11R1.1 N#CCCC1=CC=C(C=C1)O PH011727 [0,3,0,0,0,0|1,0,0]=4 920 B11R1.1 N#CCNC1=CC=C(C=C1)O S136581 [0,3,0,0,0,0|0,0,0]=3 921 B11R1.1 N#CCNC1=CC=C(C=C1)O S245933 [0,3,0,0,0,0|0,0,0]=3 922 B11R1.1 N#CCNC1=CC=C(C=C1)O S281433 [0,3,0,0,0,0|0,0,0]=3 923 B11R1.1 N#CCOC1=CC=C(C=C1)Br VBP00033 [0,3,0,0,0,0|1,0,0]=4 924 B11R1.1 N#CCSC1=CC=C(C=C1)Cl EME00140 [0,3,0,0,0,0|1,0,0]=4 925 B11R1.1 NC1=CC=C(C=C1)NCCO TMT00030 [0,3,0,0,0,0|0,0,0]=3 926 B11R1.1 NCCCC1=CC=C(C=C1)F CDS009095 [0,3,0,0,0,0|1,0,0]=4 927 B11R1.1 NCCOC1=CC=C(C=C1)F CBR00598 [0,3,0,0,0,0|1,0,0]=4 928 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [0,3,0,0,0,0|1,0,0]=4 929 B11R1.1 NCCSC1=CC=C(C=C1)Cl L308153 [0,3,0,0,0,0|1,0,0]=4 930 B11R1.1 NNCCC1=CC=C(C=C1)F PH019072 [0,3,0,0,0,0|1,0,0]=4 931 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [0,3,0,0,0,0|1,0,0]=4 932 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [0,3,0,0,0,0|1,0,0]=4 933 B11R1.1 O=CNNC1=CC=C(C=C1)Br PH007135 [0,3,0,0,0,0|0,0,1]=4 934 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [0,3,0,0,0,0|1,0,0]=4 935 B11R1.1 OCCOC1=CC=C(C=C1)Cl S359610 [0,3,0,0,0,0|1,0,0]=4 936 B11R1.1 OCCSC1=CC=C(C=C1)Cl L308781 [0,3,0,0,0,0|1,0,0]=4 937 B11R1.1 [C-]#[N+]CCC1=CC=C(C=C1)F PH015031 [0,3,0,0,0,0|1,0,0]=4 938 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,3,0,0,0,0|1,0,0]=4 939 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [0,3,0,0,0,0|1,0,0]=4 940 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,3,0,0,0,0|1,0,0]=4 941 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,3,0,0,0,0|1,0,0]=4 942 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,3,0,0,0,0|0,0,0]=3 943 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,3,0,0,0,0|0,0,0]=3 944 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,3,0,0,0,0|0,0,0]=3 945 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [0,3,0,0,0,0|1,0,0]=4 946 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [0,3,0,0,0,0|1,0,0]=4 947 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,3,0,0,0,0|1,0,0]=4 948 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [0,3,0,0,0,0|1,0,0]=4 949 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [0,3,0,0,0,0|1,0,0]=4 950 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [0,3,0,0,0,0|1,0,0]=4 951 B11R1.20 CC(C)SC1=CC=C(C=C1)Cl PH000601 [0,3,0,0,0,0|1,0,0]=4 952 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S614556 [0,3,0,0,0,0|0,0,1]=4 953 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S862371 [0,3,0,0,0,0|0,0,1]=4 954 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,3,0,0,0,0|0,0,1]=4 955 B11R1.20 CC1=CC=C(C=C1)NC(=S)N R612898 [0,3,0,0,0,0|0,0,1]=4 956 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [0,3,0,0,0,0|0,0,0]=3 957 B11R1.20 N=C(N)NC1=CC=C(C=C1)F S614564 [0,3,0,0,0,0|0,0,1]=4 958 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,3,0,0,0,0|0,0,1]=4 959 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,3,0,0,0,0|0,0,1]=4 960 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br PH010901 [0,3,0,0,0,0|0,0,1]=4 961 B11R1.20 NC(=S)NC1=CC=C(C=C1)Cl PH010858 [0,3,0,0,0,0|0,0,1]=4 962 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [0,3,0,0,0,0|0,0,1]=4 963 B11R1.22 BrCC(Br)C1=CC=C(C=C1)Br S568422 [0,3,0,0,0,0|1,0,0]=4 964 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [0,3,0,0,0,0|1,0,0]=4 965 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [0,3,0,0,0,0|1,0,0]=4 966 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [0,3,0,0,0,0|1,0,0]=4 967 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [0,3,0,0,0,0|1,0,0]=4 968 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [0,3,0,0,0,0|1,0,0]=4 969 B11R1.22 CC1=CC=C(C=C1)S(=O)NN R279870 [0,3,0,0,0,0|1,0,0]=4 970 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [0,3,0,0,0,0|1,0,0]=4 971 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [0,3,0,0,0,0|1,0,0]=4 972 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [0,3,0,0,0,0|1,0,0]=4 973 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [0,3,0,0,0,0|1,0,0]=4 974 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [0,3,0,0,0,0|1,0,0]=4 975 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [0,3,0,0,0,0|1,0,0]=4 976 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [0,3,0,0,0,0|1,0,0]=4 977 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [0,3,0,0,0,0|1,0,0]=4 978 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [0,3,0,0,0,0|1,0,0]=4 979 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [0,3,0,0,0,0|1,0,0]=4 980 B11R1.22 CN(C=O)C1=CC=C(C=C1)N PH009942 [0,3,0,0,0,0|0,0,0]=3 981 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [0,3,0,0,0,0|0,0,0]=3 982 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [0,3,0,0,0,0|0,0,0]=3 983 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [0,3,0,0,0,0|0,0,0]=3 984 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [0,3,0,0,0,0|0,0,0]=3 985 B11R1.22 CNC(=O)C1=CC=C(C=N1)Br CDS007754 [0,3,0,0,0,0|1,0,0]=4 986 B11R1.22 CNC(=O)C1=CNC(=O)C=C1 EME00410 [0,3,0,0,0,0|1,0,0]=4 987 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [0,3,0,0,0,0|0,0,0]=3 988 B11R1.22 NC(CF)C1=CC=C(C=C1)F CVT00026 [0,3,0,0,0,0|1,0,0]=4 989 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [0,3,0,0,0,0|1,0,0]=4 990 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [0,3,0,0,0,0|1,0,0]=4 991 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,3,0,0,0,0|1,0,0]=4 992 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [0,3,0,0,0,0|1,0,0]=4 993 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [0,3,0,0,0,0|1,0,0]=4 994 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [0,3,0,0,0,0|1,0,0]=4 995 B11R1.81 C(=O)NC1=C(C=C(C=C1)Cl)Cl S576786 [0,3,0,0,0,0|0,0,1]=4 996 B11R1.81 CC1=C(C=CC(=C1)Br)NC=O S624586 [0,3,0,0,0,0|0,0,1]=4 997 B11R1.81 CC1=C(C=CC(=C1)Cl)NC=O S576395 [0,3,0,0,0,0|0,0,1]=4 998 B11R1.81 CCOC1=C(C=C(C=C1)N)Cl CBR01472 [0,3,0,0,0,0|1,0,0]=4 999 B11R1.81 CCOC1=CC=C(C=C1N)N S454931 [0,3,0,0,0,0|1,0,0]=4 1000 B11R1.81 NCCC1=CC=C(C=C1F)Cl CDS022235 [0,3,0,0,0,0|1,0,0]=4 1001 B11R1.81 NCCC1=CC=C(C=C1F)F L300241 [0,3,0,0,0,0|1,0,0]=4 1002 B11R1.81 O=CNC1=C(C=C(C=C1)Br)Cl S746355 [0,3,0,0,0,0|0,0,1]=4 1003 B11R1.83 C#CC1=CC=C(C=C1)CCC CDS004646 [0,3,0,0,0,0|1,0,0]=4 1004 B11R1.83 CCC1=CC=C(C=C1)CC#N PH014677 [0,3,0,0,0,0|1,0,0]=4 1005 B11R1.83 CCC1=CC=C(C=C1)CNC CDS016027 [0,3,0,0,0,0|0,0,0]=3 1006 B11R1.83 CCC1=CC=C(C=C1)NC=O S623113 [0,3,0,0,0,0|0,0,1]=4 1007 B11R1.83 CCC1=CN=C(C=C1)CNC CBR01310 [0,3,0,0,0,0|1,0,0]=4 1008 B11R1.83 CCNC1=CC=C(C=C1)OC PH010476 [0,3,0,0,0,0|0,0,0]=3 1009 B11R1.83 CCOC1=CC=C(C=C1)CN CDS003326 [0,3,0,0,0,0|1,0,0]=4 1010 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [0,3,0,0,0,0|0,0,0]=3 1011 B11R1.83 COC1=CC=C(C=C1)/C=N/O PH010671 [0,3,0,0,0,0|1,0,0]=4 1012 B11R1.83 COC1=CC=C(C=C1)CON CDS015332 [0,3,0,0,0,0|1,0,0]=4 1013 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [0,3,0,0,0,0|1,0,0]=4 1014 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [0,3,0,0,0,0|1,0,0]=4 1015 B11R1.83 CSC1=CC=C(C=C1)CNN PH018710 [0,3,0,0,0,0|1,0,0]=4 1016 B11R1.83 N#CC1=CC=C(C=C1)CCBr CDS023693 [0,3,0,0,0,0|1,0,0]=4 1017 B11R1.83 N#CC1=CC=C(C=C1)CCO CDS014190 [0,3,0,0,0,0|1,0,0]=4 1018 B11R1.83 N#CSC1=CC=C(C=C1)NN S355992 [0,3,0,0,0,0|1,0,0]=4 1019 B11R1.83 [C-]#[N+]CC1=CC=C(C=C1)OC PH014520 [0,3,0,0,0,0|1,0,0]=4 1020 B11R1.192 C(=O)NC1=CC(=C(C=C1)C)C S399191 [0,3,0,0,0,0|0,0,1]=4 1021 B11R1.192 C(=O)NC1=CC(=C(C=C1)Cl)Cl S580163 [0,3,0,0,0,0|0,0,1]=4 1022 B11R1.192 C/C=N/C1=CC(=C(C=C1)Cl)Cl R466204 [0,3,0,0,0,0|0,0,1]=4 1023 B11R1.192 CC1=C(C=C(C=C1)NC=O)Cl S714062 [0,3,0,0,0,0|0,0,1]=4 1024 B11R1.192 CC1=CC=C(C=C1C)CCN CDS003135 [0,3,0,0,0,0|1,0,0]=4 1025 B11R1.192 CCCC1=CC=C(C(=C1)N)O R703311 [0,3,0,0,0,0|1,0,0]=4 1026 B11R1.192 CCOC1=CC=C(C(=C1)N)Cl PH004977 [0,3,0,0,0,0|1,0,0]=4 1027 B11R1.192 CCOC1=CC=C(C(=C1)N)N CDS007491 [0,3,0,0,0,0|1,0,0]=4 1028 B11R1.192 CNCC1=CC(=C(C=C1)Cl)Cl PH010199 [0,3,0,0,0,0|0,0,0]=3 1029 B11R1.192 OCCC1=CC(=C(C=C1)F)Cl CDS022215 [0,3,0,0,0,0|1,0,0]=4 1030 B11R1.192 OCCC1=CC=C(C(=C1)Br)O S739227 [0,3,0,0,0,0|1,0,0]=4 1031 B11R1.3 C#CC1=CC=C(C=C1)C(C)C CDS003828 [0,3,0,0,0,0|1,0,0]=4 1032 B11R1.3 CC(C)C1=CC=C(C=C1)CN L481181 [0,3,0,0,0,0|1,0,0]=4 1033 B11R1.3 CC(C)C1=CC=C(C=C1)CN S362883 [0,3,0,0,0,0|1,0,0]=4 1034 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [0,3,0,0,0,0|1,0,0]=4 1035 B11R1.3 CCC1=CC=C(C=C1)C(=S)N BOG00041 [0,3,0,0,0,0|1,0,0]=4 1036 B11R1.3 CCC1=CC=C(C=C1)C(=S)N OTV000389 [0,3,0,0,0,0|1,0,0]=4 1037 B11R1.3 CCC1=CC=C(C=C1)C(C)N CBR00761 [0,3,0,0,0,0|1,0,0]=4 1038 B11R1.3 CCC1=CC=C(C=C1)C(C)N OTV000097 [0,3,0,0,0,0|1,0,0]=4 1039 B11R1.3 CCC1=CC=C(C=C1)[N+](=O)[O-] R750689 [0,3,0,0,0,0|1,0,0]=4 1040 B11R1.3 CN(C)C1=CC=C(C=N1)C=O CDS015705 [0,3,0,0,0,0|1,0,0]=4 1041 B11R1.3 CNC1=CC=C(C=N1)B(O)O CDS023687 [0,3,0,0,0,0|1,0,0]=4 1042 B11R1.3 COC1=CC=C(C=C1)C(=N)N CDS006449 [0,3,0,0,0,0|1,0,0]=4 1043 B11R1.3 COC1=CC=C(C=C1)[Te](=O)Cl S50289 [0,3,0,0,0,0|1,0,0]=4 1044 B11R1.3 CSC1=CC=C(C=C1)C(=S)N BOG00226 [0,3,0,0,0,0|1,0,0]=4 1045 B11R1.279 CCC1=CC(=C(C=C1)CC)N PH010292 [0,3,0,0,0,0|1,0,0]=4 1046 B11R1.279 CCC1=CC(=C(C=C1)CN)F PH018848 [0,3,0,0,0,0|1,0,0]=4 1047 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [0,3,0,0,0,0|1,0,0]=4 1048 B11R1.279 COC1=CC=C(C(=C1)C)SC S323705 [0,3,0,0,0,0|1,0,0]=4 1049 B11R1.279 COC1=CC=C(C(=C1)Cl)C=O CDS013130 [0,3,0,0,0,0|1,0,0]=4 1050 B11R1.279 COC1=CC=C(C(=C1)F)CCl CDS022915 [0,3,0,0,0,0|1,0,0]=4 1051 B11R1.279 COC1=CC=C(C=C1Br)SC PH001313 [0,3,0,0,0,0|1,0,0]=4 1052 B11R1.279 COC1=CC=C(C=C1C)CO PH017423 [0,3,0,0,0,0|1,0,0]=4 1053 B11R1.279 COC1=CC=C(C=C1C)NN PH017197 [0,3,0,0,0,0|1,0,0]=4 1054 B11R1.279 COC1=CC=C(C=C1Cl)CS PH002997 [0,3,0,0,0,0|1,0,0]=4 1055 B11R1.19 CC(C)(N)C1=CC=C(C=C1)Cl OTV000619 [0,3,0,0,0,0|1,0,0]=4 1056 B11R1.19 CC(C)(N)C1=CC=C(C=C1)F OTV000626 [0,3,0,0,0,0|1,0,0]=4 1057 B11R1.19 CC1=CC=C(C=C1)C(C)(C)N PH010321 [0,3,0,0,0,0|1,0,0]=4 1058 B11R1.19 CC1=CC=C(C=C1)[Te](C)(Br)Br S200956 [0,3,0,0,0,0|1,0,0]=4 1059 B11R1.19 CC1=CC=C(C=C1)[Te](C)(C)I S200972 [0,3,0,0,0,0|1,0,0]=4 1060 B11R1.19 CC1=CC=C(C=C1)[Te](C)(Cl)Cl S200948 [0,3,0,0,0,0|1,0,0]=4 1061 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N CDS012661 [0,3,0,0,0,0|1,0,0]=4 1062 B11R1.19 C[Si](C)(C)C1=CC=C(C=C1)O S757365 [0,3,0,0,0,0|1,0,0]=4 1063 B11R1.21 C=C(C)C1=CC=C(C(=C1)Cl)Cl PH007056 [0,3,0,0,0,0|1,0,0]=4 1064 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [0,3,0,0,0,0|1,0,0]=4 1065 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [0,3,0,0,0,0|1,0,0]=4 1066 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [0,3,0,0,0,0|1,0,0]=4 1067 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [0,3,0,0,0,0|1,0,0]=4 1068 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [0,3,0,0,0,0|1,0,0]=4 1069 B11R1.21 CC(C)C1=CC(=C(C=C1)N)N CDS009515 [0,3,0,0,0,0|1,0,0]=4 1070 B11R1.21 CC(C)C1=CC=C(C(=C1)N)O S818887 [0,3,0,0,0,0|1,0,0]=4 1071 B11R1.21 CC(N)C1=CC=C(C(=C1)F)F CDS011131 [0,3,0,0,0,0|1,0,0]=4 1072 B11R1.21 CC(O)C1=CC=C(C(=C1)Cl)Cl S345539 [0,3,0,0,0,0|1,0,0]=4 1073 B11R1.21 CC1=CC=C(C=C1C)C(C)C S412686 [0,3,0,0,0,0|1,0,0]=4 1074 B11R1.21 CC1=CC=C(C=C1O)N(C)C PH006982 [0,3,0,0,0,0|0,0,0]=3 1075 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [0,3,0,0,0,0|1,0,0]=4 1076 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,3,0,0,0,0|1,0,0]=4 1077 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,3,0,0,0,0|1,0,0]=4 1078 B11R1.166 CC(N)C1=CC=C(C=C1Cl)Cl CDS000450 [0,3,0,0,0,0|1,0,0]=4 1079 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl R161403 [0,3,0,0,0,0|1,0,0]=4 1080 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl S463965 [0,3,0,0,0,0|1,0,0]=4 1081 B11R1.166 CC1=CC=C(C(=C1)Br)C(C)C S406864 [0,3,0,0,0,0|1,0,0]=4 1082 B11R1.166 CC1=CC=C(C(=C1)Cl)N(C)C S504149 [0,3,0,0,0,0|0,0,0]=3 1083 B11R1.166 CC1=CC=C(C(=C1)S)C(C)C PH007971 [0,3,0,0,0,0|1,0,0]=4 1084 B11R1.166 CN(C)C1=C(C=C(C=C1)Br)N CBR01423 [0,3,0,0,0,0|0,0,0]=3 1085 B11R1.166 CN(C)C1=C(C=C(C=C1)N)Cl CBR00671 [0,3,0,0,0,0|0,0,0]=3 1086 B11R1.166 CN(C)C1=CC=C(C=C1N)Br CDS022330 [0,3,0,0,0,0|0,0,0]=3 1087 B11R1.166 C[C@@H](O)C1=CC=C(C=C1Cl)F CDS023126 [0,3,0,0,0,0|1,0,0]=4 1088 B11R1.166 C[C@H](O)C1=CC=C(C=C1Cl)F CDS023125 [0,3,0,0,0,0|1,0,0]=4 1089 B11R1.37 C(=O)C1=C(C=CC(=C1)Cl)OC CDS005116 [0,3,0,0,0,0|1,0,0]=4 1090 B11R1.37 CCC1=CC(=CC=C1CBr)Br PH016077 [0,3,0,0,0,0|1,0,0]=4 1091 B11R1.37 COC1=C(C=CC(=C1)Cl)C#N T153745 [0,3,0,0,0,0|1,0,0]=4 1092 B11R1.37 COC1=C(C=CC(=C1)N)C#N CDS021034 [0,3,0,0,0,0|1,0,0]=4 1093 B11R1.37 COC1=CC(=CC=C1CO)C PH017728 [0,3,0,0,0,0|1,0,0]=4 1094 B11R1.37 COC1=CC(=CC=C1CO)O CDS003654 [0,3,0,0,0,0|1,0,0]=4 1095 B11R1.37 COC1=CC=C(C=C1C=O)O CDS008229 [0,3,0,0,0,0|1,0,0]=4 1096 B11R1.37 COC1=CC=C(C=C1CCl)C CDS022279 [0,3,0,0,0,0|1,0,0]=4 1097 B11R1.37 COC1=CC=C(C=C1CO)F CDS020828 [0,3,0,0,0,0|1,0,0]=4 1098 B11R1.37 COC1=CC=C(C=C1NN)Cl CBR00784 [0,3,0,0,0,0|1,0,0]=4 1099 B11R1.277 CCC1=C(C=C(C(=C1)C)C)O S360961 [0,3,0,0,0,0|1,0,0]=4 1100 B11R1.277 CCC1=CC(=C(C=C1C)C)C S504343 [0,3,0,0,0,0|1,0,0]=4 1101 B11R1.277 COC1=C(C=C(C(=C1)F)F)F R276812 [0,3,0,0,0,0|1,0,0]=4 1102 B11R1.277 COC1=CC(=C(C=C1N)C)Cl PH011485 [0,3,0,0,0,0|1,0,0]=4 1103 B11R1.277 CSC1=C(C=C(C(=C1)Cl)Cl)Cl S943983 [0,3,0,0,0,0|1,0,0]=4 1104 B11R1.278 COC1=C(C(=C(C=C1)Cl)Cl)Cl R279021 [0,3,0,0,0,0|1,0,0]=4 1105 B11R1.278 COC1=C(C(=C(C=C1)F)O)Cl CDS021067 [0,3,0,0,0,0|1,0,0]=4 1106 B11R1.278 COC1=C(C(=C(C=C1)O)F)F CDS002829 [0,3,0,0,0,0|1,0,0]=4 1107 B11R1.278 COC1=CC=C(C(=C1O)O)Br L134910 [0,3,0,0,0,0|1,0,0]=4 1108 B11R1.464 COC1=C(C=C(C=C1C)O)C PH009142 [0,3,0,0,0,0|1,0,0]=4 1109 B11R1.464 COC1=C(C=C(C=C1Cl)N)Cl PH010475 [0,3,0,0,0,0|1,0,0]=4 1110 B11R1.464 COC1=C(C=C(C=C1Cl)N)F CDS021066 [0,3,0,0,0,0|1,0,0]=4 1111 B11R1.464 NNC1=C(C=C(C=C1Cl)Cl)Cl S418943 [0,3,0,0,0,0|1,0,0]=4 1112 B11R1.14 COC1=CC(=C(C(=C1)Br)C)Br S310824 [0,3,0,0,0,0|1,0,0]=4 1113 B11R1.14 COC1=CC(=C(C(=C1)Br)I)Br S17893 [0,3,0,0,0,0|1,0,0]=4 1114 B11R1.14 COC1=CC(=C(C(=C1)Br)N)Br R179124 [0,3,0,0,0,0|1,0,0]=4 1115 B11R1.14 COC1=CC(=C(C(=C1)Br)O)N CDS021998 [0,3,0,0,0,0|1,0,0]=4 1116 B11R1.14 COC1=CC(=C(C(=C1)C)Br)C OTV000869 [0,3,0,0,0,0|1,0,0]=4 1117 B11R1.280 CCC1=CC(=CC=C1F)CN PH018805 [0,3,0,0,0,0|1,0,0]=4 1118 B11R1.280 CCC1=CC(=CC=C1N)C#N CDS000771 [0,3,0,0,0,0|1,0,0]=4 1119 B11R1.280 COC1=CC(=C(C=C1)Br)CCl PH010839 [0,3,0,0,0,0|1,0,0]=4 1120 B11R1.280 COC1=CC(=C(C=C1)Br)CO PH010837 [0,3,0,0,0,0|1,0,0]=4 1121 B11R1.280 COC1=CC(=C(C=C1)Cl)CO TMT00626 [0,3,0,0,0,0|1,0,0]=4 1122 B11R1.280 COC1=CC(=C(C=C1)F)C#N MNO000003 [0,3,0,0,0,0|1,0,0]=4 1123 B11R1.280 COC1=CC(=CC=C1Br)C#N CDS023049 [0,3,0,0,0,0|1,0,0]=4 1124 B11R1.280 COC1=CC(=CC=C1F)CO CDS013926 [0,3,0,0,0,0|1,0,0]=4 1125 B11R1.280 CSC1=CC=C(C(=C1)C=O)O PH008479 [0,3,0,0,0,0|1,0,0]=4 1126 B11R1.8 COC1=C(C(=CC(=C1)O)Br)O R227900 [0,3,0,0,0,0|1,0,0]=4 1127 B11R1.8 COC1=CC(=CC(=C1N)Br)Cl CDS024289 [0,3,0,0,0,0|1,0,0]=4 1128 B11R1.13 CC1=C(C(=CC=C1)NC=O)C PH010206 [0,3,0,0,0,0|0,0,1]=4 1129 B11R1.13 CC1=C(C=CC=C1Cl)NC=O S576794 [0,3,0,0,0,0|0,0,1]=4 1130 B11R1.13 CCCC1=C(C(=CC=C1)C)O S405507 [0,3,0,0,0,0|1,0,0]=4 1131 B11R1.13 NCCC1=CC=CC(=C1Cl)Cl L300195 [0,3,0,0,0,0|1,0,0]=4 1132 B11R1.13 O=CNC1=C(C(=CC=C1)Cl)Cl S623296 [0,3,0,0,0,0|0,0,1]=4 1133 B11R1.13 OCCC1=CC=CC(=C1F)Cl CDS022327 [0,3,0,0,0,0|1,0,0]=4 1134 B11R1.72 CCC1=C(C(=CC=C1F)O)Cl PH017290 [0,3,0,0,0,0|1,0,0]=4 1135 B11R1.72 CCC1=C(C(=CC=C1O)F)Cl PH017315 [0,3,0,0,0,0|1,0,0]=4 1136 B11R1.72 COC1=C(C(=CC=C1O)F)C PH017341 [0,3,0,0,0,0|1,0,0]=4 1137 B11R1.72 COC1=C(C=CC(=C1C)O)O L300217 [0,3,0,0,0,0|1,0,0]=4 1138 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [0,3,0,0,0,0|1,0,0]=4 1139 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [0,3,0,0,0,0|1,0,0]=4 1140 B11R1.159 CC1=C(C(=CC=C1)[C@H](C)N)C CDS015873 [0,3,0,0,0,0|1,0,0]=4 1141 B11R1.265 COC1=C(C(=CC=C1)O)C=O CDS001142 [0,3,0,0,0,0|1,0,0]=4 1142 B11R1.265 COC1=C(C=CC=C1C=O)Br CDS023099 [0,3,0,0,0,0|1,0,0]=4 1143 B11R1.265 COC1=C(C=CC=C1C=O)Cl CDS021098 [0,3,0,0,0,0|1,0,0]=4 1144 B11R1.265 COC1=CC=CC(=C1C=O)Cl CDS021003 [0,3,0,0,0,0|1,0,0]=4 1145 B11R1.267 CCC1=CC=CC(=C1Br)CC S638986 [0,3,0,0,0,0|1,0,0]=4 1146 B11R1.267 CCC1=CC=CC(=C1F)CC S567299 [0,3,0,0,0,0|1,0,0]=4 1147 B11R1.267 CCC1=CC=CC(=C1O)CC CBR02039 [0,3,0,0,0,0|1,0,0]=4 1148 B11R1.267 COC1=CC=CC(=C1C)NN PH019503 [0,3,0,0,0,0|1,0,0]=4 1149 B11R1.267 COC1=CC=CC(=C1N)OC CDS017316 [0,3,0,0,0,0|1,0,0]=4 1150 B11R1.9 COC1=CC(=CC(=C1)CN)F CDS014667 [0,3,0,0,0,0|1,0,0]=4 1151 B11R1.9 COC1=CC(=CC(=C1)Cl)C=O CDS022648 [0,3,0,0,0,0|1,0,0]=4 1152 B11R1.9 COC1=CC(=CC(=C1)OC)[O-] S860948 [0,3,0,0,0,0|1,0,0]=4 1153 B11R1.34 CC1=CC(=CC(=C1)CNN)C PH019430 [0,3,0,0,0,0|1,0,0]=4 1154 B11R1.34 CC1=CC(=CC(=C1)NC=O)C S625418 [0,3,0,0,0,0|0,0,1]=4 1155 B11R1.34 CCOC1=CC(=CC(=C1)C)C S798266 [0,3,0,0,0,0|1,0,0]=4 1156 B11R1.34 O=CNC1=CC(=CC(=C1)F)F S767824 [0,3,0,0,0,0|0,0,1]=4 1157 B11R1.74 CC1=CC(=CC(=C1)C(C)C)C S369373 [0,3,0,0,0,0|1,0,0]=4 1158 B11R1.74 CC1=CC(=CC(=O)N1)N(C)C R101338 [0,3,0,0,0,0|1,0,0]=4 1159 B11R1.74 CN(C)C1=CC(=CC(=C1)Cl)Cl S886807 [0,3,0,0,0,0|0,0,0]=3 1160 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [0,3,0,0,0,0|1,0,0]=4 1161 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [0,3,0,0,0,0|1,0,0]=4 1162 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [0,3,0,0,0,0|1,0,0]=4 1163 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [0,3,0,0,0,0|1,0,0]=4 1164 B11R1.23 CC[C@@H](O)C1=CC(=CC=C1)F PH018824 [0,3,0,0,0,0|1,0,0]=4 1165 B11R1.23 CC[C@H](O)C1=CC(=CC=C1)F PH018897 [0,3,0,0,0,0|1,0,0]=4 1166 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [0,3,0,0,0,0|0,0,0]=3 1167 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [0,3,0,0,0,0|0,0,0]=3 1168 B11R1.23 CNC(=O)C1=CC(=CC=N1)Cl CDS004290 [0,3,0,0,0,0|1,0,0]=4 1169 B11R1.23 CNC(=O)C1=CC(=NC=C1)Cl CBR00287 [0,3,0,0,0,0|1,0,0]=4 1170 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [0,3,0,0,0,0|0,0,0]=3 1171 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [0,3,0,0,0,0|0,0,0]=3 1172 B11R1.23 CNN(C)C1=CC=CC(=C1)Br PH012310 [0,3,0,0,0,0|0,0,0]=3 1173 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [0,3,0,0,0,0|1,0,0]=4 1174 B11R1.23 NC(CF)C1=CC(=CC=C1)Br CVT00033 [0,3,0,0,0,0|1,0,0]=4 1175 B11R1.23 NNC(=O)C1=CC=CC(=C1)Cl PH009753 [0,3,0,0,0,0|1,0,0]=4 1176 B11R1.23 O=C(NO)C1=CC(=CC=C1)Cl PH010173 [0,3,0,0,0,0|1,0,0]=4 1177 B11R1.23 OC1=CC=CC(=C1)C(CN)O TMT00167 [0,3,0,0,0,0|1,0,0]=4 1178 B11R1.24 C#CCOC1=CC(=CC=C1)Br CDS023209 [0,3,0,0,0,0|1,0,0]=4 1179 B11R1.24 CC1=CC(=CC=C1)CCCN CBR00042 [0,3,0,0,0,0|1,0,0]=4 1180 B11R1.24 CC1=CC(=CC=C1)OCC#N OTV000130 [0,3,0,0,0,0|1,0,0]=4 1181 B11R1.24 CC1=CC(=CC=C1)OCCBr PH000370 [0,3,0,0,0,0|1,0,0]=4 1182 B11R1.24 CC1=CC(=CC=C1)OCCO S538558 [0,3,0,0,0,0|1,0,0]=4 1183 B11R1.24 CC1=CC(=NC=C1)NCCN PH015402 [0,3,0,0,0,0|1,0,0]=4 1184 B11R1.24 CC1=CC=CC(=C1)CCNN PH019073 [0,3,0,0,0,0|1,0,0]=4 1185 B11R1.24 CC1=CC=CC(=C1)OCCN R414271 [0,3,0,0,0,0|1,0,0]=4 1186 B11R1.24 CCCOC1=CC=CC(=C1)N CDS001846 [0,3,0,0,0,0|1,0,0]=4 1187 B11R1.24 ClC1=CC(=CC=C1)CCCBr PH011322 [0,3,0,0,0,0|1,0,0]=4 1188 B11R1.24 N#CCCC1=CC(=CC=C1)Br CDS003023 [0,3,0,0,0,0|1,0,0]=4 1189 B11R1.24 NC1=CC=CC(=C1)OCCO CBR00211 [0,3,0,0,0,0|1,0,0]=4 1190 B11R1.24 NNCCC1=CC(=CC=C1)F PH019005 [0,3,0,0,0,0|1,0,0]=4 1191 B11R1.24 OCCCC1=CC=CC(=C1)Cl PH002730 [0,3,0,0,0,0|1,0,0]=4 1192 B11R1.24 OCCNC1=NC(=CC=C1)F CDS021253 [0,3,0,0,0,0|1,0,0]=4 1193 B11R1.24 OCCOC1=CC=CC(=C1)O CDS003378 [0,3,0,0,0,0|1,0,0]=4 1194 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,3,0,0,0,0|1,0,0]=4 1195 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,3,0,0,0,0|0,0,0]=3 1196 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,3,0,0,0,0|0,0,0]=3 1197 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,3,0,0,0,0|0,0,0]=3 1198 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [0,3,0,0,0,0|1,0,0]=4 1199 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [0,3,0,0,0,0|1,0,0]=4 1200 B11R1.157 CC(N)CC1=CC=CC(=C1)Br CDS022739 [0,3,0,0,0,0|1,0,0]=4 1201 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,3,0,0,0,0|0,0,1]=4 1202 B11R1.157 CC1=CC(=CC=C1)NC(C)C S657476 [0,3,0,0,0,0|0,0,0]=3 1203 B11R1.157 CN(N)CC1=CC=CC(=C1)Cl PH007608 [0,3,0,0,0,0|0,0,0]=3 1204 B11R1.157 FC1=CC=CC(=C1)OC(F)F MNO000146 [0,3,0,0,0,0|1,0,0]=4 1205 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [0,3,0,0,0,0|0,0,1]=4 1206 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [0,3,0,0,0,0|0,0,1]=4 1207 B11R1.157 NC(=S)NC1=CC=CC(=C1)Cl S549614 [0,3,0,0,0,0|0,0,1]=4 1208 B11R1.157 OC1=CC=CC(=C1)OC(F)F CDS005791 [0,3,0,0,0,0|1,0,0]=4 1209 B11R1.182 C(=O)NC1=C(C=CC(=C1)C)C S576549 [0,3,0,0,0,0|0,0,1]=4 1210 B11R1.182 CC1=C(C=C(C=C1)Cl)NC=O S623288 [0,3,0,0,0,0|0,0,1]=4 1211 B11R1.182 CC1=CC=C(C(=C1)CCN)O PH019198 [0,3,0,0,0,0|1,0,0]=4 1212 B11R1.182 CC1=CC=C(C(=C1)CCO)C S347248 [0,3,0,0,0,0|1,0,0]=4 1213 B11R1.182 CNCC1=CC(=CC=C1Cl)Cl PH016788 [0,3,0,0,0,0|0,0,0]=3 1214 B11R1.182 CNCC1=CC(=CC=C1O)F CDS021392 [0,3,0,0,0,0|0,0,0]=3 1215 B11R1.182 NCCC1=CC(=CC=C1F)F L300276 [0,3,0,0,0,0|1,0,0]=4 1216 B11R1.182 NCCC1=CC(=CC=C1N)Cl PH018969 [0,3,0,0,0,0|1,0,0]=4 1217 B11R1.182 NCCC1=CC(=CC=C1O)Cl PH019172 [0,3,0,0,0,0|1,0,0]=4 1218 B11R1.182 O=CNC1=CC(=CC=C1Cl)Cl PH000061 [0,3,0,0,0,0|0,0,1]=4 1219 B11R1.189 C(=O)CC1=CC=CC(=C1)OC CDS021827 [0,3,0,0,0,0|1,0,0]=4 1220 B11R1.189 C(=O)NC1=CC(=CC=C1)OC S516600 [0,3,0,0,0,0|0,0,1]=4 1221 B11R1.189 C/N=C/C1=CC=CC(=C1)OC S683248 [0,3,0,0,0,0|0,0,1]=4 1222 B11R1.189 CCNC1=CC(=CC=C1)CC PH012321 [0,3,0,0,0,0|0,0,0]=3 1223 B11R1.189 COCC1=CC=CC(=C1)CBr CDS024084 [0,3,0,0,0,0|1,0,0]=4 1224 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [0,3,0,0,0,0|1,0,0]=4 1225 B11R1.167 CC(C)C1=CC(=CC=C1O)O S841269 [0,3,0,0,0,0|1,0,0]=4 1226 B11R1.167 CC(O)C1=C(C=CC(=C1)F)O CDS021193 [0,3,0,0,0,0|1,0,0]=4 1227 B11R1.167 CC(O)C1=CC(=CC=C1Cl)Cl S546992 [0,3,0,0,0,0|1,0,0]=4 1228 B11R1.167 CC1=CC(=C(C=C1)C)C(C)N CBR01396 [0,3,0,0,0,0|1,0,0]=4 1229 B11R1.167 CC1=CC=C(C(=C1)N(C)C)Br S820725 [0,3,0,0,0,0|0,0,0]=3 1230 B11R1.167 CC1=CC=C(C=C1N(C)C)Cl S504246 [0,3,0,0,0,0|0,0,0]=3 1231 B11R1.155 CC(C)(C)C1=CC(=CC=C1)N CDS013665 [0,3,0,0,0,0|1,0,0]=4 1232 B11R1.155 CC(C)(O)C1=CC(=CC=C1)Br BML00258 [0,3,0,0,0,0|1,0,0]=4 1233 B11R1.155 CS(=O)(=O)C1=CC(=CC=C1)Br PH011722 [0,3,0,0,0,0|1,0,0]=4 1234 B11R1.266 CC(C)C1=CC=CC(=C1)C=O CDS004820 [0,3,0,0,0,0|1,0,0]=4 1235 B11R1.266 CCC1=CC=CC(=C1)B(O)O SYX00037 [0,3,0,0,0,0|1,0,0]=4 1236 B11R1.266 CN(C)C1=CC(=CC=C1)C#N S869449 [0,3,0,0,0,0|0,0,0]=3 1237 B11R1.266 COC1=CC(=CC=C1)C(C)O S460761 [0,3,0,0,0,0|1,0,0]=4 1238 B11R1.266 COC1=CC(=CC=C1)N(C)C CDS001202 [0,3,0,0,0,0|0,0,0]=3 1239 B11R1.266 COC1=CC=CC(=C1)C(C)N CDS002381 [0,3,0,0,0,0|1,0,0]=4 1240 B11R1.266 CSC1=CC=CC(=C1)[N+](=O)[O-] S549835 [0,3,0,0,0,0|1,0,0]=4 1241 B11R1.266 NNC1=CC(=CC=C1)C(=O)O CDS001221 [0,3,0,0,0,0|1,0,0]=4 1242 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S333697 [0,3,0,0,0,0|1,0,0]=4 1243 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S486078 [0,3,0,0,0,0|1,0,0]=4 1244 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S494992 [0,3,0,0,0,0|1,0,0]=4 1245 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S497304 [0,3,0,0,0,0|1,0,0]=4 1246 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 PH010973 [0,3,0,0,0,0|0,0,0]=3 1247 B11R1.7 COC(C)(C)C1=CC=CC=C1 S713104 [0,3,0,0,0,0|1,0,0]=4 1248 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 S544795 [0,3,0,0,0,0|1,0,0]=4 1249 B11R1.7 C[Si](C)(CO)C1=CC=CC=C1 S832316 [0,3,0,0,0,0|1,0,0]=4 1250 B11R1.7 O=S(=O)(N[Na])C1=CC=CC=C1 T283754 [0,3,0,0,0,0|1,0,0]=4 1251 B11R1.12 CC/C(=N/O)/C1=CC=CC=C1 S799947 [0,3,0,0,0,0|1,0,0]=4 1252 B11R1.12 CC/C(=N\O)/C1=CC=CC=C1 PH011544 [0,3,0,0,0,0|1,0,0]=4 1253 B11R1.12 CCC(CC)C1=CC=CC=C1 S109592 [0,3,0,0,0,0|1,0,0]=4 1254 B11R1.12 CCC(CC)C1=CC=CC=C1 S37940 [0,3,0,0,0,0|1,0,0]=4 1255 B11R1.12 CCC(NC)C1=CC=CC=C1 CDS000205 [0,3,0,0,0,0|0,0,0]=3 1256 B11R1.12 CCC(NC)C1=CC=CN=C1 CDS021076 [0,3,0,0,0,0|1,0,0]=4 1257 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [0,3,0,0,0,0|0,0,1]=4 1258 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [0,3,0,0,0,0|1,0,0]=4 1259 B11R1.16 C=CCN(C)C1=CC=CC=C1 S438677 [0,3,0,0,0,0|0,0,0]=3 1260 B11R1.16 CC(/C=N/O)C1=CC=CC=C1 S619094 [0,3,0,0,0,0|1,0,0]=4 1261 B11R1.16 CC(N=C=S)C1=CC=CC=C1 S645478 [0,3,0,0,0,0|1,0,0]=4 1262 B11R1.16 CC(N=[N+]=[N-])C1=CC=CC=C1 PH018363 [0,3,0,0,0,0|1,0,0]=4 1263 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [0,3,0,0,0,0|1,0,0]=4 1264 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [0,3,0,0,0,0|1,0,0]=4 1265 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [0,3,0,0,0,0|1,0,0]=4 1266 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [0,3,0,0,0,0|0,0,0]=3 1267 B11R1.16 CCNC(=O)C1=CN=CC=C1 S435422 [0,3,0,0,0,0|1,0,0]=4 1268 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [0,3,0,0,0,0|0,0,0]=3 1269 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [0,3,0,0,0,0|0,0,0]=3 1270 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [0,3,0,0,0,0|0,0,0]=3 1271 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [0,3,0,0,0,0|0,0,0]=3 1272 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [0,3,0,0,0,0|1,0,0]=4 1273 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [0,3,0,0,0,0|1,0,0]=4 1274 B11R1.16 N#CNC(=O)C1=CC=CC=C1 S923761 [0,3,0,0,0,0|0,0,1]=4 1275 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [0,3,0,0,0,0|0,0,0]=3 1276 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [0,3,0,0,0,0|1,0,0]=4 1277 B11R1.16 ONCC(O)C1=CC=CC=C1 S662003 [0,3,0,0,0,0|1,0,0]=4 1278 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [0,3,0,0,0,0|1,0,0]=4 1279 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [0,3,0,0,0,0|1,0,0]=4 1280 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [0,3,0,0,0,0|1,0,0]=4 1281 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,3,0,0,0,0|1,0,0]=4 1282 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,3,0,0,0,0|0,0,0]=3 1283 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [0,3,0,0,0,0|1,0,0]=4 1284 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,3,0,0,0,0|1,0,0]=4 1285 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [0,3,0,0,0,0|1,0,0]=4 1286 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [0,3,0,0,0,0|1,0,0]=4 1287 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [0,3,0,0,0,0|0,0,0]=3 1288 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [0,3,0,0,0,0|1,0,0]=4 1289 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [0,3,0,0,0,0|1,0,0]=4 1290 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [0,3,0,0,0,0|1,0,0]=4 1291 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [0,3,0,0,0,0|1,0,0]=4 1292 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [0,3,0,0,0,0|1,0,0]=4 1293 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [0,3,0,0,0,0|1,0,0]=4 1294 B11R1.36 CN(C)C(=O)C1=CN=CC=C1 CDS000360 [0,3,0,0,0,0|1,0,0]=4 1295 B11R1.36 CN(C)C(=S)C1=CC=NC=C1 PH007726 [0,3,0,0,0,0|1,0,0]=4 1296 B11R1.36 CN(N)C(=N)C1=CC=CC=C1 S32361 [0,3,0,0,0,0|0,0,0]=3 1297 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [0,3,0,0,0,0|1,0,0]=4 1298 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [0,3,0,0,0,0|1,0,0]=4 1299 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [0,3,0,0,0,0|1,0,0]=4 1300 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [0,3,0,0,0,0|1,0,0]=4 1301 B11R1.222 CCN(N)C1=CC=CC=C1C PH012201 [0,3,0,0,0,0|0,0,0]=3 1302 B11R1.222 CC[C@H](O)C1=CC=CC=C1F PH018898 [0,3,0,0,0,0|1,0,0]=4 1303 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [0,3,0,0,0,0|0,0,0]=3 1304 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [0,3,0,0,0,0|0,0,0]=3 1305 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [0,3,0,0,0,0|0,0,0]=3 1306 B11R1.222 CNC(=O)C1=CC=CN=C1Cl VBP00050 [0,3,0,0,0,0|1,0,0]=4 1307 B11R1.222 CNC(=S)C1=C(C=CC=C1)N PH001535 [0,3,0,0,0,0|0,0,0]=3 1308 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [0,3,0,0,0,0|1,0,0]=4 1309 B11R1.222 NCC(O)C1=CC=CC=C1Br CDS009497 [0,3,0,0,0,0|1,0,0]=4 1310 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [0,3,0,0,0,0|1,0,0]=4 1311 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [0,3,0,0,0,0|1,0,0]=4 1312 B11R1.87 CC(C)(N)C1=CC=CC=C1F OTV000632 [0,3,0,0,0,0|1,0,0]=4 1313 B11R1.87 CC(C)(O)C1=CC=CC=C1Br CDS020091 [0,3,0,0,0,0|1,0,0]=4 1314 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)C PH003545 [0,3,0,0,0,0|1,0,0]=4 1315 B11R1.87 CC1=CC=CC=C1[Si](C)(C)C S837741 [0,3,0,0,0,0|1,0,0]=4 1316 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)N CDS004952 [0,3,0,0,0,0|1,0,0]=4 1317 B11R1.87 CS(=O)(=O)C1=CC=CC=C1O CDS005712 [0,3,0,0,0,0|1,0,0]=4 1318 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N CDS017334 [0,3,0,0,0,0|1,0,0]=4 1319 B11R1.53 CC(Br)C1=CC=CC=C1CBr L480363 [0,3,0,0,0,0|1,0,0]=4 1320 B11R1.53 CC(C)C1=CC=CC=C1C=O CDS004427 [0,3,0,0,0,0|1,0,0]=4 1321 B11R1.53 CNC1=C(C=CC=C1)C(=O)N CDS003164 [0,3,0,0,0,0|0,0,0]=3 1322 B11R1.53 CNC1=C(C=CC=C1)C(=O)O PH010971 [0,3,0,0,0,0|0,0,0]=3 1323 B11R1.53 CNC1=CC=CC=C1C(=O)O R462381 [0,3,0,0,0,0|0,0,0]=3 1324 B11R1.53 COC1=CC=CC=C1C(=N)N PH017180 [0,3,0,0,0,0|1,0,0]=4 1325 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [0,3,0,0,0,0|1,0,0]=4 1326 B11R1.53 COC1=CC=CC=C1C(C)N CDS019753 [0,3,0,0,0,0|1,0,0]=4 1327 B11R1.53 COC1=CC=CC=C1C(C)N R733547 [0,3,0,0,0,0|1,0,0]=4 1328 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [0,3,0,0,0,0|1,0,0]=4 1329 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [0,3,0,0,0,0|1,0,0]=4 1330 B11R1.17 C=CCNC1=CC=CC=C1C S432768 [0,3,0,0,0,0|0,0,0]=3 1331 B11R1.17 C=CCOC1=CC=CC=C1C S432911 [0,3,0,0,0,0|1,0,0]=4 1332 B11R1.17 C=CCOC1=CC=CC=C1Cl S544744 [0,3,0,0,0,0|1,0,0]=4 1333 B11R1.17 C=CCSC1=CC=CC=C1N PH000451 [0,3,0,0,0,0|1,0,0]=4 1334 B11R1.17 CC1=C(C=CC=C1)NCC#N PH010275 [0,3,0,0,0,0|0,0,0]=3 1335 B11R1.17 CC1=C(C=CC=C1)NCCN PH010276 [0,3,0,0,0,0|0,0,0]=3 1336 B11R1.17 CC1=C(C=CC=C1)OCC#N S84612 [0,3,0,0,0,0|1,0,0]=4 1337 B11R1.17 CC1=C(C=CC=C1)OCCN R414298 [0,3,0,0,0,0|1,0,0]=4 1338 B11R1.17 CC1=C(N=CC=C1)NCCN CBR01323 [0,3,0,0,0,0|1,0,0]=4 1339 B11R1.17 CC1=CC=CC=C1OCCN OTV000147 [0,3,0,0,0,0|1,0,0]=4 1340 B11R1.17 CCCCC1=C(C=CC=C1)N CDS000462 [0,3,0,0,0,0|1,0,0]=4 1341 B11R1.17 CCCOC1=CC=CC=C1N CDS014846 [0,3,0,0,0,0|1,0,0]=4 1342 B11R1.17 CCCSC1=CC=CC=C1N PH000487 [0,3,0,0,0,0|1,0,0]=4 1343 B11R1.17 COCCC1=CC=CC=C1Br S809608 [0,3,0,0,0,0|1,0,0]=4 1344 B11R1.17 COCOC1=CC=CC=C1Br CBR01868 [0,3,0,0,0,0|1,0,0]=4 1345 B11R1.17 NCCCC1=C(C=CC=C1)F CBR02360 [0,3,0,0,0,0|1,0,0]=4 1346 B11R1.17 NCCOC1=C(C=CC=C1)Cl R414425 [0,3,0,0,0,0|1,0,0]=4 1347 B11R1.17 NCCOC1=CC=CC=C1F CBR00831 [0,3,0,0,0,0|1,0,0]=4 1348 B11R1.41 BrCCC1=CC=CC=C1CBr S809802 [0,3,0,0,0,0|1,0,0]=4 1349 B11R1.41 C(=N/O)\C1=CC=CC=C1OC S922153 [0,3,0,0,0,0|1,0,0]=4 1350 B11R1.41 CCC1=C(C=CC=C1)NC=O S623350 [0,3,0,0,0,0|0,0,1]=4 1351 B11R1.41 CCC1=CC=CC=C1CCN PH016764 [0,3,0,0,0,0|1,0,0]=4 1352 B11R1.41 CCC1=CC=CC=C1CCO T175994 [0,3,0,0,0,0|1,0,0]=4 1353 B11R1.41 CCNC1=NC=CC=C1OC VBP00022 [0,3,0,0,0,0|1,0,0]=4 1354 B11R1.41 CCOC1=CC=CN=C1NC VBP00005 [0,3,0,0,0,0|1,0,0]=4 1355 B11R1.41 COC1=CC=CC=C1CSC S697931 [0,3,0,0,0,0|1,0,0]=4 1356 B11R1.41 COCC1=CC=CC=C1CN CDS002378 [0,3,0,0,0,0|1,0,0]=4 1357 B11R1.41 CSC1=CC=CC=C1CC#N PH002491 [0,3,0,0,0,0|1,0,0]=4 1358 B11R1.41 O=CC1=C(C=CC=C1)CCBr PH009837 [0,3,0,0,0,0|1,0,0]=4 1359 B11R1.86 C/[N+](=C/C1=C(C=CC=C1)O)/[O-] L170356 [0,3,0,0,0,0|0,0,1]=4 1360 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,3,0,0,0,0|1,0,0]=4 1361 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,3,0,0,0,0|0,0,0]=3 1362 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [0,3,0,0,0,0|1,0,0]=4 1363 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [0,3,0,0,0,0|1,0,0]=4 1364 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [0,3,0,0,0,0|1,0,0]=4 1365 B11R1.86 CC(=O)NC1=NC=CC=C1Cl T300071 [0,3,0,0,0,0|1,0,0]=4 1366 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [0,3,0,0,0,0|1,0,0]=4 1367 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,3,0,0,0,0|1,0,0]=4 1368 B11R1.86 CC(C)OC1=CC=CC=C1N CDS002647 [0,3,0,0,0,0|1,0,0]=4 1369 B11R1.86 CC(C)SC1=CC=CC=C1N CBR00953 [0,3,0,0,0,0|1,0,0]=4 1370 B11R1.86 CC(C)SC1=CC=CC=C1N PH010950 [0,3,0,0,0,0|1,0,0]=4 1371 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [0,3,0,0,0,0|0,0,0]=3 1372 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [0,3,0,0,0,0|0,0,1]=4 1373 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [0,3,0,0,0,0|0,0,0]=3 1374 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [0,3,0,0,0,0|0,0,0]=3 1375 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [0,3,0,0,0,0|0,0,1]=4 1376 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [0,3,0,0,0,0|0,0,1]=4 1377 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [0,3,0,0,0,0|0,0,1]=4 1378 B11R1.605 C(=O)NC1=C(C=CC=C1C)C S396656 [0,3,0,0,0,0|0,0,1]=4 1379 B11R1.605 C(=O)NC1=C(C=CC=C1C)Cl S625477 [0,3,0,0,0,0|0,0,1]=4 1380 B11R1.605 CCOC1=C(C=CC=C1N)N S767417 [0,3,0,0,0,0|1,0,0]=4 1381 B11R1.605 NC1=CC=CC(=C1CCO)Cl PH014566 [0,3,0,0,0,0|1,0,0]=4 1382 B11R1.605 NCCC1=C(C=CC=C1F)F T151203 [0,3,0,0,0,0|1,0,0]=4 1383 B11R1.605 NNCC1=C(C=CC=C1Cl)Cl S761540 [0,3,0,0,0,0|1,0,0]=4 1384 B11R1.605 OCCC1=C(C=CC=C1Cl)Cl PH011763 [0,3,0,0,0,0|1,0,0]=4 1385 B11R1.28 C#CCCCC1=CC=CC=C1 CDS001437 [0,3,0,0,0,0|1,0,0]=4 1386 B11R1.28 C#CCOCC1=CC=CC=C1 T268720 [0,3,0,0,0,0|1,0,0]=4 1387 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [0,3,0,0,0,0|1,0,0]=4 1388 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [0,3,0,0,0,0|1,0,0]=4 1389 B11R1.28 C=CCNCC1=CC=CC=C1 ANV00005 [0,3,0,0,0,0|0,0,0]=3 1390 B11R1.28 C=CCNCC1=CC=CC=C1 CBR01347 [0,3,0,0,0,0|0,0,0]=3 1391 B11R1.28 C=CCNCC1=NC=CC=C1 CDS020991 [0,3,0,0,0,0|1,0,0]=4 1392 B11R1.28 CC#CCOC1=CC=CC=C1 PH009632 [0,3,0,0,0,0|1,0,0]=4 1393 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [0,3,0,0,0,0|1,0,0]=4 1394 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [0,3,0,0,0,0|0,0,1]=4 1395 B11R1.28 CCNCCC1=CC=CC=N1 S361453 [0,3,0,0,0,0|1,0,0]=4 1396 B11R1.28 CCNCCC1=CC=NC=C1 OTV000969 [0,3,0,0,0,0|1,0,0]=4 1397 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [0,3,0,0,0,0|1,0,0]=4 1398 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [0,3,0,0,0,0|0,0,0]=3 1399 B11R1.28 COCCOC1=CC=CC=C1 S793000 [0,3,0,0,0,0|1,0,0]=4 1400 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [0,3,0,0,0,0|1,0,0]=4 1401 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [0,3,0,0,0,0|1,0,0]=4 1402 B11R1.28 Cl/C=C/CSC1=CC=CC=C1 S722243 [0,3,0,0,0,0|1,0,0]=4 1403 B11R1.28 ClCCCSC1=CC=CC=C1 S799211 [0,3,0,0,0,0|1,0,0]=4 1404 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [0,3,0,0,0,0|0,0,0]=3 1405 B11R1.28 N#CCOCC1=CC=CC=C1 S240400 [0,3,0,0,0,0|1,0,0]=4 1406 B11R1.28 NCCCNC1=CC=CC=C1 CDS021448 [0,3,0,0,0,0|0,0,0]=3 1407 B11R1.28 NCCCNC1=CC=CC=N1 PH014605 [0,3,0,0,0,0|1,0,0]=4 1408 B11R1.28 NCCCOC1=CC=CC=C1 PH010546 [0,3,0,0,0,0|1,0,0]=4 1409 B11R1.28 NCCCOC1=CC=CC=C1 VBP00077 [0,3,0,0,0,0|1,0,0]=4 1410 B11R1.28 NOCCOC1=CC=CC=C1 CDS015326 [0,3,0,0,0,0|1,0,0]=4 1411 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [0,3,0,0,0,0|1,0,0]=4 1412 B11R1.28 OCC/N=C/C1=CC=CC=C1 PH007114 [0,3,0,0,0,0|0,0,1]=4 1413 B11R1.28 OCCCNC1=NC=CC=C1 EME00343 [0,3,0,0,0,0|1,0,0]=4 1414 B11R1.28 OCCCSC1=CC=CC=C1 S799238 [0,3,0,0,0,0|1,0,0]=4 1415 B11R1.28 OCCNCC1=NC=CC=C1 PH014542 [0,3,0,0,0,0|1,0,0]=4 1416 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [0,3,0,0,0,0|1,0,0]=4 1417 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,3,0,0,0,0|1,0,0]=4 1418 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [0,3,0,0,0,0|0,0,0]=3 1419 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,3,0,0,0,0|0,0,0]=3 1420 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [0,3,0,0,0,0|0,0,0]=3 1421 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,3,0,0,0,0|0,0,0]=3 1422 B11R1.40 CNC(C)CC1=NC=CC=C1 CBR00462 [0,3,0,0,0,0|1,0,0]=4 1423 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,3,0,0,0,0|1,0,0]=4 1424 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [0,3,0,0,0,0|0,0,1]=4 1425 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,3,0,0,0,0|1,0,0]=4 1426 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,3,0,0,0,0|0,0,0]=3 1427 B11R1.40 COC(=O)NC1=CN=CC=C1 R427268 [0,3,0,0,0,0|1,0,0]=4 1428 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [0,3,0,0,0,0|0,0,0]=3 1429 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [0,3,0,0,0,0|0,0,0]=3 1430 B11R1.40 CSC(=S)NC1=CC=CC=N1 PH002652 [0,3,0,0,0,0|1,0,0]=4 1431 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,3,0,0,0,0|0,0,0]=3 1432 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,3,0,0,0,0|1,0,0]=4 1433 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,3,0,0,0,0|0,0,0]=3 1434 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,3,0,0,0,0|0,0,1]=4 1435 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [0,3,0,0,0,0|1,0,0]=4 1436 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,3,0,0,0,0|0,0,0]=3 1437 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,3,0,0,0,0|1,0,0]=4 1438 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [0,3,0,0,0,0|0,0,0]=3 1439 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [0,3,0,0,0,0|1,0,0]=4 1440 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,3,0,0,0,0|1,0,0]=4 1441 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [0,3,0,0,0,0|1,0,0]=4 1442 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [0,3,0,0,0,0|1,0,0]=4 1443 B11R1.91 CC(C)N=CC1=CC=CC=C1 S376825 [0,3,0,0,0,0|0,0,1]=4 1444 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [0,3,0,0,0,0|0,0,0]=3 1445 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [0,3,0,0,0,0|0,0,0]=3 1446 B11R1.91 CC(C)NCC1=CC=CN=C1 CBR00082 [0,3,0,0,0,0|1,0,0]=4 1447 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [0,3,0,0,0,0|1,0,0]=4 1448 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [0,3,0,0,0,0|1,0,0]=4 1449 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [0,3,0,0,0,0|1,0,0]=4 1450 B11R1.91 CN(C)/C=C/C1=CC=NC=C1 PH014856 [0,3,0,0,0,0|1,0,0]=4 1451 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 R428108 [0,3,0,0,0,0|0,0,0]=3 1452 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 S361119 [0,3,0,0,0,0|0,0,0]=3 1453 B11R1.91 CN(C)CCC1=CC=NC=C1 PH000201 [0,3,0,0,0,0|1,0,0]=4 1454 B11R1.91 CN(C)CCC1=NC=CC=C1 PH000750 [0,3,0,0,0,0|1,0,0]=4 1455 B11R1.91 CN(C)CCC1=NC=CC=C1 S456276 [0,3,0,0,0,0|1,0,0]=4 1456 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [0,3,0,0,0,0|0,0,0]=3 1457 B11R1.91 CN(O)CCC1=CC=NC=C1 PH008939 [0,3,0,0,0,0|1,0,0]=4 1458 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [0,3,0,0,0,0|1,0,0]=4 1459 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [0,3,0,0,0,0|0,0,1]=4 1460 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,3,0,0,0,0|0,0,0]=3 1461 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,3,0,0,0,0|1,0,0]=4 1462 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [0,3,0,0,0,0|1,0,0]=4 1463 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [0,3,0,0,0,0|0,0,1]=4 1464 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [0,3,0,0,0,0|1,0,0]=4 1465 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [0,3,0,0,0,0|1,0,0]=4 1466 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [0,3,0,0,0,0|1,0,0]=4 1467 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [0,3,0,0,0,0|1,0,0]=4 1468 B11R1.509 CS(=O)(=O)NC1=CC=CC=N1 T326070 [0,3,0,0,0,0|1,0,0]=4 1469 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 R284572 [0,3,0,0,0,0|0,0,1]=4 1470 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342041 [0,3,0,0,0,0|0,0,1]=4 1471 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342068 [0,3,0,0,0,0|0,0,1]=4 1472 B11R1.509 C[N+](C)(N)CC1=CC=CC=C1 S761869 [0,3,0,0,0,0|0,0,1]=4 1473 B11R1.509 C[N+](C)([O-])CC1=CC=CC=C1 S428078 [0,3,0,0,0,0|0,0,1]=4 1474 B11R1.509 ClC(Cl)(Cl)[Hg]C1=CC=CC=C1 S851965 [0,3,0,0,0,0|1,0,0]=4 1475 B11R1.509 FC(F)(F)CC1=CC=CC=C1 MNO000048 [0,3,0,0,0,0|1,0,0]=4 1476 B11R1.509 FC(F)(F)[Hg]C1=CC=CC=C1 S110469 [0,3,0,0,0,0|1,0,0]=4 1477 B11R1.509 [SiH2](C1=CC=CC=C1)C(C)(C)C S831409 [0,3,0,0,0,0|1,0,0]=4 1478 B9R1.50 O=C1C=CC=CC=CC1 T179078 [0,1,1,1,0,0|1,0,0]=4 1479 B11R2.36 BrC1=CC2=C(C=C1)NN=N2 CDS007659 [0,2,0,1,0,0|1,0,0]=4 1480 B11R2.36 BrC1=CC=C2CNCC2=C1 CDS019338 [0,2,0,1,0,0|0,0,0]=3 1481 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [0,2,0,1,0,0|0,0,0]=3 1482 B11R2.36 CC1=CC2=C(C=C1)NN=N2 CDS000420 [0,2,0,1,0,0|1,0,0]=4 1483 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [0,2,0,1,0,0|0,0,1]=4 1484 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [0,2,0,1,0,0|0,0,1]=4 1485 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [0,2,0,1,0,0|0,0,0]=3 1486 B11R2.36 ClC1=CC=C2C=NNC2=C1 CDS006195 [0,2,0,1,0,0|0,0,1]=4 1487 B11R2.36 ClC1=CC=C2NN=CC2=C1 CDS006550 [0,2,0,1,0,0|0,0,1]=4 1488 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [0,2,0,1,0,0|0,0,0]=3 1489 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [0,2,0,1,0,0|0,0,1]=4 1490 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [0,2,0,1,0,0|0,0,0]=3 1491 B11R2.36 FC1=CC=C2NC=NC2=C1 CDS008386 [0,2,0,1,0,0|0,0,1]=4 1492 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [0,2,0,1,0,0|0,0,0]=3 1493 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [0,2,0,1,0,0|1,0,0]=4 1494 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [0,2,0,1,0,0|1,0,0]=4 1495 B11R2.36 IC1=CC=C2OCOC2=C1 CDS003005 [0,2,0,1,0,0|1,0,0]=4 1496 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [0,2,0,1,0,0|1,0,0]=4 1497 B11R2.36 NC1=CC2=C(C=C1)NC=N2 CDS003539 [0,2,0,1,0,0|0,0,1]=4 1498 B11R2.36 NC1=CC2=C(C=C1)NN=N2 CDS000711 [0,2,0,1,0,0|1,0,0]=4 1499 B11R2.36 NC1=CC=C2NCCC2=C1 CDS019734 [0,2,0,1,0,0|0,0,0]=3 1500 B11R2.36 OC1=CC=C2NC=NC2=C1 CBR02476 [0,2,0,1,0,0|0,0,1]=4 1501 B11R2.106 BrC1=C2NN=NC2=CC=C1 CDS021140 [0,2,0,1,0,0|1,0,0]=4 1502 B11R2.106 CC1=C2C=NNC2=CC=C1 CBR00232 [0,2,0,1,0,0|0,0,1]=4 1503 B11R2.106 CC1=C2NN=CC2=CC=C1 CBR00226 [0,2,0,1,0,0|0,0,1]=4 1504 B11R2.106 ClC1=CC=CC2=C1C=NN2 BML00245 [0,2,0,1,0,0|0,0,1]=4 1505 B11R2.106 OC1=CC=CC2=C1N=CN2 CDS008334 [0,2,0,1,0,0|0,0,1]=4 1506 B11R2.106 OC1=CC=CC2=C1NC=C2 CDS005198 [0,2,0,1,0,0|0,0,1]=4 1507 B11R2.35 BrC1=CC=CC(=C1)C2CC2 MNO000086 [0,2,0,1,0,0|1,0,0]=4 1508 B11R2.35 NC1=CC=CC(=C1)C2CC2 CDS022395 [0,2,0,1,0,0|1,0,0]=4 1509 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,2,0,1,0,0|0,0,0]=3 1510 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,2,0,1,0,0|0,0,1]=4 1511 B11R2.1 CN1C=NC2=CC=CN=C12 ADE001232 [0,2,0,1,0,0|1,0,0]=4 1512 B11R2.1 C[N+]1=CSC2=CC=CC=C12 R785695 [0,2,0,1,0,0|0,0,1]=4 1513 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,2,0,1,0,0|0,0,1]=4 1514 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [0,2,0,1,0,0|1,0,0]=4 1515 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,2,0,1,0,0|0,0,0]=3 1516 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,2,0,1,0,0|0,0,1]=4 1517 B11R2.1 [O-][N+]1=CNC2=C1C=CC=C2 R429619 [0,2,0,1,0,0|0,0,1]=4 1518 B11R2.40 NC1(CC1)C2=CC=CC=C2 OTV000611 [0,2,0,1,0,0|1,0,0]=4 1519 B11R2.239 C1=CC(=CC=N1)C2CNC2 PH019033 [0,2,0,1,0,0|1,0,0]=4 1520 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [0,2,0,1,0,0|0,0,0]=3 1521 B11R2.239 C1=CN=C(C=C1)C2CNC2 PH018991 [0,2,0,1,0,0|1,0,0]=4 1522 B11R2.239 C1=CN=CC(=C1)C2CNC2 PH019032 [0,2,0,1,0,0|1,0,0]=4 1523 B11R2.55 NC1=C(C=CC=C1)C2CC2 CDS021534 [0,2,0,1,0,0|1,0,0]=4 1524 B11R2.10 CC1=NC2=CC=CN=C2N1 CBR01690 [0,2,0,1,0,0|1,0,0]=4 1525 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [0,2,0,1,0,0|1,0,0]=4 1526 B11R2.10 CN1CC2=CC=CC=C2C1 PH012966 [0,2,0,1,0,0|0,0,0]=3 1527 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,2,0,1,0,0|0,0,0]=3 1528 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,2,0,1,0,0|0,0,1]=4 1529 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,2,0,1,0,0|0,0,1]=4 1530 B11R2.10 SC1CC2=CC=CC=C2C1 CDS023745 [0,2,0,1,0,0|1,0,0]=4 1531 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [0,2,0,1,0,0|0,0,0]=3 1532 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [0,2,0,1,0,0|0,0,0]=3 1533 B11R2.20 C1=CC=C2OCCNC2=C1 CDS019685 [0,2,0,1,0,0|0,0,0]=3 1534 B11R2.20 C1=CN=C2CCCNC2=C1 T316458 [0,2,0,1,0,0|1,0,0]=4 1535 B11R2.20 C1=CN=C2NCCCC2=C1 CDS022647 [0,2,0,1,0,0|1,0,0]=4 1536 B11R2.20 C1=CN=C2OCCNC2=C1 ADE001247 [0,2,0,1,0,0|1,0,0]=4 1537 B11R2.20 C1=NC=C2CCCNC2=C1 CDS016859 [0,2,0,1,0,0|1,0,0]=4 1538 B11R2.20 C1=NC=C2OCCNC2=C1 ADE001246 [0,2,0,1,0,0|1,0,0]=4 1539 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [0,2,0,1,0,0|0,1,0]=4