0 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [0,0,0,0,0,0|2,0,1]=3 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|1,0,2]=3 5 B8R1.2 C=CC1=CC=CC=C1 S461830 [0,0,0,0,0,0|1,0,2]=3 6 B8R1.2 C=CC1=CC=CC=C1 S462152 [0,0,0,0,0,0|1,0,2]=3 7 B8R1.2 COC1=NC=CC=N1 CDS005079 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.2 CSC1=NC=CC=N1 SYX00290 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.2 CSC1=NC=CN=N1 SYX00362 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [0,0,0,0,0,0|3,0,0]=3 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|1,0,0]=1 13 B8R1.2 NCC1=CN=CC=N1 CDS009594 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [0,0,0,0,0,0|2,0,1]=3 15 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.2 OCC1=CC=CN=N1 CDS015970 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.3 BrC1=CC=CN=N1 CDS023312 [1,0,0,0,0,0|2,0,0]=3 19 B7R1.3 BrC1=CN=CC=N1 CDS005022 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.3 BrC1=CN=NC=C1 CDS022809 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.3 CC1=CC=NC=C1 T256412 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.3 CC1=CC=NC=C1 T330418 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.3 NC1=CC=CC=C1 S698326 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.3 NC1=CC=CC=N1 S822329 [1,0,0,0,0,0|3,0,0]=4 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|3,0,0]=4 27 B7R1.3 O=C1C=CNC=C1 T161470 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.3 O=C1C=CSC=C1 T162035 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.3 OC1=CC=NC=C1 CDS013613 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.3 S=C1C=CSC=C1 S874310 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.3 [O-]C1=CN=CC=N1 S451452 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.3 [S-]C1=CC=CC=C1 S578991 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.1 C#CC1=CC=C(N=C1)C CDS023335 [0,1,0,0,0,0|0,0,2]=3 35 B9R1.1 C#CC1=CC=C(N=C1)Cl CDS021113 [0,1,0,0,0,0|0,0,2]=3 36 B9R1.1 CC1=CC=C(C=C1)CS S369497 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.1 CCC1=CN=C(N=C1)O CBR01415 [0,1,0,0,0,0|1,0,0]=2 42 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [0,1,0,0,0,0|1,0,0]=2 45 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [0,1,0,0,0,0|1,0,0]=2 46 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [0,1,0,0,0,0|1,0,0]=2 48 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.1 CSC1=CC=C(C=C1)N S418595 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.1 CSC1=CC=C(N=C1)Br CBR00035 [0,1,0,0,0,0|1,0,0]=2 51 B9R1.1 CSC1=NN=C(C=C1)Cl L163783 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.1 N#CC1=CC=C(N=C1)Br CDS003693 [0,1,0,0,0,0|1,0,1]=3 53 B9R1.1 N#CC1=CC=C(N=C1)F CDS002963 [0,1,0,0,0,0|1,0,1]=3 54 B9R1.1 N#CC1=NC=C(N=C1)Br CDS023192 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.1 N#CC1=NC=C(N=C1)Cl CDS006416 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [0,1,0,0,0,0|1,0,0]=2 57 B9R1.1 NCC1=CC=C(C=C1)F R750263 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.1 NCC1=NC=C(N=C1)Cl CDS021292 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [0,1,0,0,0,0|1,0,1]=3 61 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [0,1,0,0,0,0|1,0,2]=4 62 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F PH015011 [0,1,0,0,0,0|2,0,1]=4 63 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.2 C#CC1=CC(=CC=C1)Br CDS007533 [0,1,0,0,0,0|1,0,2]=4 65 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.2 CC1=CC(=CC=N1)CO L499730 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [0,1,0,0,0,0|1,0,1]=3 71 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [0,1,0,0,0,0|1,0,0]=2 75 B9R1.2 CCC1=NC(=CC=C1)C S580031 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.2 CNC1=CC(=CC=C1)N S604097 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [0,1,0,0,0,0|1,0,0]=2 80 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [0,1,0,0,0,0|1,0,0]=2 81 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [0,1,0,0,0,0|1,0,0]=2 82 B9R1.2 COC1=CN=CC(=N1)Cl SYX00288 [0,1,0,0,0,0|2,0,0]=3 83 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [0,1,0,0,0,0|1,0,0]=2 87 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [0,1,0,0,0,0|2,0,1]=4 88 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [0,1,0,0,0,0|1,0,0]=2 91 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [0,1,0,0,0,0|1,0,1]=3 93 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [0,1,0,0,0,0|1,0,1]=3 94 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [0,1,0,0,0,0|1,0,0]=2 95 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [0,1,0,0,0,0|1,0,0]=2 96 B9R1.2 OCC1=CC=NC(=C1)F MNO000064 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [0,1,0,0,0,0|1,0,0]=2 98 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [0,1,0,0,0,0|0,0,0]=1 103 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [0,1,0,0,0,0|0,0,0]=1 104 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [0,1,0,0,0,0|1,0,0]=2 105 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [0,1,0,0,0,0|2,0,1]=4 108 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [0,1,0,0,0,0|1,0,1]=3 109 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [0,1,0,0,0,0|2,0,1]=4 110 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [0,1,0,0,0,0|2,0,1]=4 111 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.6 OB(O)C1=CN=CN=C1 CDS013999 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [0,1,0,0,0,0|0,0,0]=1 115 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [0,1,0,0,0,0|1,0,1]=3 117 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [0,1,0,0,0,0|2,0,1]=4 118 B9R1.8 CCCC1=CC=NC=C1 S573086 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.8 CCOC1=CC=CC=N1 S442267 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.8 CNCC1=NC=NC=C1 PH017743 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.8 CNCC1=NC=NC=C1 PH019105 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.8 CNNC1=CC=CC=C1 PH012261 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.8 COCC1=CC=CC=N1 S363146 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [0,1,0,0,0,0|0,0,0]=1 127 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [0,1,0,0,0,0|0,0,0]=1 128 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.8 O=C=NC1=CC=CN=C1 CDS004476 [0,1,0,0,0,0|1,0,1]=3 130 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [0,1,0,0,0,0|0,0,0]=1 131 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [0,1,0,0,0,0|0,0,1]=2 136 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [0,1,0,0,0,0|2,0,1]=4 137 B9R1.15 C#CC1=CC=CN=C1F CDS021219 [0,1,0,0,0,0|0,0,2]=3 138 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [0,1,0,0,0,0|2,0,1]=4 139 B9R1.15 CC1=C(C=CC=C1)NN R580260 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.15 CC1=C(C=NC=N1)C#N CBR01753 [0,1,0,0,0,0|2,0,1]=4 142 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.15 CC1=CC=CN=C1CN CDS004048 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.15 CC1=CC=NC=C1CN CDS013951 [0,1,0,0,0,0|1,0,0]=2 145 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [0,1,0,0,0,0|1,0,0]=2 146 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [0,1,0,0,0,0|1,0,0]=2 147 B9R1.15 CCC1=NC=NC=C1Br CDS023071 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.15 CCN1C=CC=CC1=O S683159 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.15 CC[N+]1=C(C=CC=C1)Br S765686 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.15 CC[N+]1=C(N=CC=C1)N S140686 [0,1,0,0,0,0|1,0,0]=2 151 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.15 CNC1=NC=CC=C1Cl T169315 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.15 COC1=C(CC=CC1)C S864811 [0,1,0,0,0,0|2,0,1]=4 156 B9R1.15 COC1=CC=CC=C1N CDS000192 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.15 COC1=CC=NC=C1Br CDS007984 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.15 COC1=NC=CC=C1N CDS002836 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.15 COC1=NC=CN=C1I SYX00132 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [0,1,0,0,0,0|1,0,0]=2 161 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.15 NC1=C(C=CN=C1)CO ADE000287 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [0,1,0,0,0,0|1,0,1]=3 164 B9R1.15 NC1=CC=NC=C1CO ADE000311 [0,1,0,0,0,0|1,0,0]=2 165 B9R1.15 NC1=NC=CC=C1CO ADE000265 [0,1,0,0,0,0|1,0,0]=2 166 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.15 NCC1=CC=CC=C1Br T151114 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.15 OCC1=CC=CC=N1O S459240 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.15 OCC1=CC=NC=C1Br MNO000077 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.15 OCC1=NC=CC=C1O R578177 [0,1,0,0,0,0|3,0,0]=4 173 B7R1.1 BrCC1=CSC=C1 CDS022029 [0,0,0,0,1,0|2,0,0]=3 174 B7R1.1 C#CC1=CC=CS1 CDS010938 [0,0,0,0,1,0|1,0,2]=4 175 B7R1.1 C#CC1=CC=NN1 CDS015894 [0,0,0,0,1,0|1,0,2]=4 176 B7R1.1 CCC1=CNN=C1 CBR01738 [0,0,0,0,1,0|1,0,0]=2 177 B7R1.1 CCC1C=CCC1 S416223 [0,0,0,0,1,0|0,0,3]=4 178 B7R1.1 CSC1=CC=CS1 R436550 [0,0,0,0,1,0|2,0,0]=3 179 B7R1.1 ClCC1=CN=CS1 CBR02473 [0,0,0,0,1,0|2,0,0]=3 180 B7R1.1 ClCC1=CNC=N1 CBR00821 [0,0,0,0,1,0|2,0,0]=3 181 B7R1.1 ClCC1=CSC=N1 SYX00282 [0,0,0,0,1,0|2,0,0]=3 182 B7R1.1 ClCC1=NC=CS1 CBR01833 [0,0,0,0,1,0|2,0,0]=3 183 B7R1.1 Cl[Hg]C1=CC=CO1 S813176 [0,0,0,0,1,0|3,0,0]=4 184 B7R1.1 Cl[Hg]C1=CC=CS1 S815802 [0,0,0,0,1,0|3,0,0]=4 185 B7R1.1 Cl[Hg]C1=COC=C1 S814148 [0,0,0,0,1,0|3,0,0]=4 186 B7R1.1 N#CC1=CN=CN1 CDS006565 [0,0,0,0,1,0|2,0,1]=4 187 B7R1.1 N#CN1C=CN=C1 CDS017338 [0,0,0,0,1,0|2,0,1]=4 188 B7R1.1 NCC1=CN=CS1 CDS007657 [0,0,0,0,1,0|2,0,0]=3 189 B7R1.1 NCC1=COC=C1 CDS008929 [0,0,0,0,1,0|2,0,0]=3 190 B7R1.1 NCC1=CSN=N1 CDS019170 [0,0,0,0,1,0|3,0,0]=4 191 B7R1.1 NCC1=NC=CS1 CDS023086 [0,0,0,0,1,0|2,0,0]=3 192 B7R1.1 NCC1=NC=CS1 PHB00196 [0,0,0,0,1,0|2,0,0]=3 193 B7R1.1 NCC1=NOC=N1 CDS019857 [0,0,0,0,1,0|3,0,0]=4 194 B7R1.1 O=CC1=CC=NN1 CDS003145 [0,0,0,0,1,0|2,0,1]=4 195 B7R1.1 O=CC1=NNC=C1 CDS009918 [0,0,0,0,1,0|2,0,1]=4 196 B7R1.1 O=CC1=NOC=C1 CDS009683 [0,0,0,0,1,0|2,0,1]=4 197 B7R1.1 OCC1=CC=CN1 CDS009556 [0,0,0,0,1,0|1,0,1]=3 198 B7R1.1 OCC1=CN=CS1 CDS004659 [0,0,0,0,1,0|2,0,0]=3 199 B7R1.1 OCC1=CNN=C1 CDS015812 [0,0,0,0,1,0|2,0,0]=3 200 B7R1.1 OCC1=NOC=C1 PHB00207 [0,0,0,0,1,0|2,0,0]=3 201 B7R1.1 SCC1=CC=CS1 CDS000069 [0,0,0,0,1,0|2,0,0]=3 202 B6R0.4 C=COCC(=C)C T284386 [1,0,1,0,0,0|1,0,1]=4 203 B6R1.1 C1=CC=CC=C1 S458074 [2,0,0,0,0,0|1,0,0]=3 204 B6R1.1 C1=CC=NC=C1 S503533 [2,0,0,0,0,0|0,0,0]=2 205 B8R0.7 C(=C/C=C/C(C)C)\CO T265454 [0,1,1,0,0,0|2,0,0]=4 206 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [1,1,0,0,0,0|1,0,0]=3 207 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [1,1,0,0,0,0|1,0,0]=3 208 B8R1.3 CC1=CNC(=O)C=C1 T162647 [1,1,0,0,0,0|0,0,1]=3 209 B8R1.3 CC1=NC=C(C=N1)Br CDS022509 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [1,1,0,0,0,0|1,0,0]=3 211 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [1,1,0,0,0,0|1,0,1]=4 212 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [1,1,0,0,0,0|1,0,0]=3 213 B8R1.3 ClC1=CC=C(N=N1)I KOB0085 [1,1,0,0,0,0|2,0,0]=4 214 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [1,1,0,0,0,0|1,0,0]=3 215 B8R1.3 ClC1=CN=C(N=C1)I SYX00017 [1,1,0,0,0,0|2,0,0]=4 216 B8R1.3 ClC1=NC=C(C=N1)I SYX00335 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.3 FC1=NC=C(C=N1)Br CDS004432 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.3 FC1=NC=C(C=N1)Br SYX00292 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [1,1,0,0,0,0|1,0,1]=4 220 B8R1.3 NC1=CC=C(C=C1)F S414190 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.3 NC1=CC=C(C=C1)N S706698 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [1,1,0,0,0,0|1,0,0]=3 223 B8R1.3 NC1=CN=C(C=N1)Cl CDS005437 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.3 NC1=CN=C(N=C1)Cl CDS009800 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [1,1,0,0,0,0|1,0,1]=4 226 B8R1.3 OC1=CC=C(N=N1)Cl CVT00040 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.3 OC1=CC=C(N=N1)Cl SYX00271 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.4 CC1=CC(=O)NC=C1 T162655 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.4 CC1=CC=CC(=C1)N R647047 [1,1,0,0,0,0|1,0,0]=3 231 B8R1.4 CC1=CC=CC(=O)N1 S766364 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [1,1,0,0,0,0|0,0,1]=3 233 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [1,1,0,0,0,0|1,0,0]=3 234 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [1,1,0,0,0,0|1,0,0]=3 235 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [1,1,0,0,0,0|1,0,0]=3 236 B8R1.4 ClC1=CN=CC(=N1)Br ANV00065 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.4 ClC1=CN=NC(=C1)Cl MNO000179 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.4 IC1=CN=CC(=N1)I SYX00011 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [1,1,0,0,0,0|1,0,0]=3 240 B8R1.4 NC1=CC(=CN=C1)I ADE000379 [1,1,0,0,0,0|1,0,0]=3 241 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.4 NC1=NC(=CN=C1)Cl CDS013619 [1,1,0,0,0,0|2,0,0]=4 243 B8R1.4 O=C1C=C(C=NN1)Cl CDS021192 [1,1,0,0,0,0|2,0,0]=4 244 B8R1.4 O=C1C=C(C=NN1)I SYX00367 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [1,1,0,0,0,0|1,0,0]=3 246 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [1,1,0,0,0,0|1,0,0]=3 247 B8R1.4 OC1=NC(=CN=C1)Cl CBR01733 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [1,1,0,0,0,0|1,0,0]=3 249 B8R1.5 CC1=CC=NN=C1Cl PHB00234 [1,1,0,0,0,0|1,0,0]=3 250 B8R1.5 CC1=CN=CC=C1N CDS003217 [1,1,0,0,0,0|0,0,0]=2 251 B8R1.5 CC1=NC=CN=C1Cl CDS013629 [1,1,0,0,0,0|1,0,0]=3 252 B8R1.5 CC1=NC=CN=C1S PH014228 [1,1,0,0,0,0|1,0,0]=3 253 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.5 C[N+]1=CC=CN=C1N S142433 [1,1,0,0,0,0|1,0,0]=3 255 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [1,1,0,0,0,0|1,0,0]=3 256 B8R1.5 FC1=CC=CN=C1I ADE000285 [1,1,0,0,0,0|1,0,0]=3 257 B8R1.5 FC1=CN=CN=C1S S217271 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.5 IC1=CC=CN=C1I ADE000256 [1,1,0,0,0,0|1,0,0]=3 259 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [1,1,0,0,0,0|1,0,0]=3 261 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [1,1,0,0,0,0|1,0,0]=3 262 B8R1.5 NC1=C(C=NC=N1)Br CDS020752 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.5 NC1=CC=CC=C1O S378569 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.5 NC1=CC=CN=C1O CDS007860 [1,1,0,0,0,0|1,0,0]=3 265 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [1,1,0,0,0,0|1,0,0]=3 266 B8R1.5 O=C1NC=CC=C1Cl T161063 [1,1,0,0,0,0|1,0,1]=4 267 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [1,1,0,0,0,0|1,0,0]=3 268 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [1,1,0,0,0,0|1,0,0]=3 269 B8R1.5 OC1=CN=CC=C1Br CDS021897 [1,1,0,0,0,0|1,0,0]=3 270 B8R1.5 OC1=NC=CC=C1F CDS019950 [1,1,0,0,0,0|1,0,0]=3 271 B8R1.1 CC1=CC(=CS1)CO TMT00554 [0,1,0,0,1,0|2,0,0]=4 272 B8R1.1 CC1=CC(=NO1)CO L482684 [0,1,0,0,1,0|2,0,0]=4 273 B8R1.1 CC1=CN=C(O1)CN CDS008557 [0,1,0,0,1,0|2,0,0]=4 274 B8R1.1 CC1=CN=C(S1)CN CDS011809 [0,1,0,0,1,0|2,0,0]=4 275 B8R1.1 CC1=NC(=CO1)CO CBR02085 [0,1,0,0,1,0|2,0,0]=4 276 B8R1.1 CC1=NC(=CS1)CN CBR00687 [0,1,0,0,1,0|2,0,0]=4 277 B8R1.1 CC1=NNC(=C1)CN CBR01017 [0,1,0,0,1,0|2,0,0]=4 278 B8R1.1 CC1=NOC(=C1)CN CBR00041 [0,1,0,0,1,0|2,0,0]=4 279 B8R1.1 CCC1=CSC(=N1)N CBR01525 [0,1,0,0,1,0|1,0,0]=3 280 B8R1.1 CCC1=CSC(=S)N1 PH006951 [0,1,0,0,1,0|1,0,1]=4 281 B8R1.1 CCC1=NN=C(N1)S CDS017489 [0,1,0,0,1,0|2,0,0]=4 282 B8R1.1 CCC1=NNC(=C1)N CDS019625 [0,1,0,0,1,0|1,0,0]=3 283 B8R1.1 CCC1=NNC(=N1)N CBR00022 [0,1,0,0,1,0|2,0,0]=4 284 B8R1.1 CCC1=NOC(=N1)O CBR01637 [0,1,0,0,1,0|2,0,0]=4 285 B8R1.1 CCN1C=C(C=N1)Br CDS003673 [0,1,0,0,1,0|1,0,0]=3 286 B8R1.1 CCN1C=NC(=N1)N CBR02286 [0,1,0,0,1,0|2,0,0]=4 287 B8R1.1 CN1C=C(C=N1)CCl CBR01696 [0,1,0,0,1,0|2,0,0]=4 288 B8R1.1 CN1C=NC(=C1)CN CDS017640 [0,1,0,0,1,0|2,0,0]=4 289 B8R1.1 CN1C=NC(=C1)CO CDS017610 [0,1,0,0,1,0|2,0,0]=4 290 B8R1.1 CNC1=NC=C(S1)Br CBR01741 [0,1,0,0,1,0|2,0,0]=4 291 B8R1.1 COC1=CN=C(S1)N CDS021689 [0,1,0,0,1,0|2,0,0]=4 292 B8R1.1 COC1=NC(=CS1)Br SYX00375 [0,1,0,0,1,0|2,0,0]=4 293 B8R1.1 COC1=NC=C(S1)Br SYX00323 [0,1,0,0,1,0|2,0,0]=4 294 B8R1.1 CSC1=NC(=CS1)Br SYX00338 [0,1,0,0,1,0|2,0,0]=4 295 B8R1.1 ClCC1=CSC(=N1)Cl SYX00330 [0,1,0,0,1,0|2,0,0]=4 296 B8R1.1 NCC1=CC=C(S1)Br CDS007961 [0,1,0,0,1,0|2,0,0]=4 297 B8R1.1 NCC1=CC=C(S1)Cl CDS013426 [0,1,0,0,1,0|2,0,0]=4 298 B8R1.1 OCC1=CC(=CS1)Br CDS016046 [0,1,0,0,1,0|2,0,0]=4 299 B8R1.1 OCC1=CC=C(S1)F PHB00247 [0,1,0,0,1,0|2,0,0]=4 300 B8R1.1 OCC1=CN=C(S1)Br SYX00336 [0,1,0,0,1,0|2,0,0]=4 301 B8R1.1 OCC1=CN=C(S1)Cl CDS013997 [0,1,0,0,1,0|2,0,0]=4 302 B8R1.1 OCC1=CSC(=N1)Br SYX00394 [0,1,0,0,1,0|2,0,0]=4 303 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [0,1,0,0,1,0|0,0,2]=4 304 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [0,1,0,0,1,0|1,0,1]=4 305 B8R1.7 CC(C)C1=CNN=C1 CBR01677 [0,1,0,0,1,0|1,0,0]=3 306 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [0,1,0,0,1,0|1,0,0]=3 307 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [0,1,0,0,1,0|1,0,0]=3 308 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [0,1,0,0,1,0|1,0,0]=3 309 B8R1.7 CC(N)C1=NOC=C1 CDS017372 [0,1,0,0,1,0|1,0,0]=3 310 B8R1.8 BrCCN1C=CC=N1 CDS002854 [0,1,0,0,1,0|1,0,0]=3 311 B8R1.8 BrCCN1C=NN=C1 CBR02437 [0,1,0,0,1,0|2,0,0]=4 312 B8R1.8 CCCN1C=CC=C1 PH010280 [0,1,0,0,1,0|1,0,0]=3 313 B8R1.8 CCNC1=NN=CS1 PH014535 [0,1,0,0,1,0|2,0,0]=4 314 B8R1.8 CNCC1=CC=CS1 CDS004831 [0,1,0,0,1,0|1,0,0]=3 315 B8R1.8 CNCC1=CC=CS1 PH012021 [0,1,0,0,1,0|1,0,0]=3 316 B8R1.8 CNCC1=CSC=C1 PH015792 [0,1,0,0,1,0|1,0,0]=3 317 B8R1.8 CNCC1=NC=CN1 CBR00689 [0,1,0,0,1,0|1,0,0]=3 318 B8R1.8 ClCCC1=CNN=C1 CBR00809 [0,1,0,0,1,0|1,0,0]=3 319 B8R1.8 ClCCN1C=CC=N1 CDS015079 [0,1,0,0,1,0|1,0,0]=3 320 B8R1.8 N#CCC1=CC=CO1 JRD0290 [0,1,0,0,1,0|1,0,1]=4 321 B8R1.8 NCCC1=CC=CO1 CBR02448 [0,1,0,0,1,0|1,0,0]=3 322 B8R1.8 NCCN1C=CC=N1 CDS008012 [0,1,0,0,1,0|1,0,0]=3 323 B8R1.8 NNCC1=CC=CS1 CBR01534 [0,1,0,0,1,0|2,0,0]=4 324 B8R1.8 OCCN1C=CC=C1 CDS000018 [0,1,0,0,1,0|1,0,0]=3 325 B8R1.8 OCCN1C=CC=N1 CDS004224 [0,1,0,0,1,0|1,0,0]=3 326 B8R1.8 OCCN1C=CN=N1 CDS008475 [0,1,0,0,1,0|2,0,0]=4 327 B8R1.11 CC1=C(C=CO1)CN CDS019848 [0,1,0,0,1,0|2,0,0]=4 328 B8R1.11 CC1=C(NC=N1)CN CBR01683 [0,1,0,0,1,0|2,0,0]=4 329 B8R1.11 CC1=C(SC=C1)CN CDS015230 [0,1,0,0,1,0|2,0,0]=4 330 B8R1.11 CCN1C=CN=C1Br CBR01693 [0,1,0,0,1,0|1,0,0]=3 331 B8R1.11 CCN1C=NN=C1S CDS013450 [0,1,0,0,1,0|2,0,0]=4 332 B8R1.11 CCN1N=CN=C1Br CBR01775 [0,1,0,0,1,0|2,0,0]=4 333 B8R1.11 CCN1N=CN=C1N CBR00782 [0,1,0,0,1,0|2,0,0]=4 334 B8R1.11 CN1C=CN=C1CN CDS002678 [0,1,0,0,1,0|2,0,0]=4 335 B8R1.11 CN1C=CN=C1CO CDS014909 [0,1,0,0,1,0|2,0,0]=4 336 B8R1.11 CN1N=CC=C1CBr CDS023901 [0,1,0,0,1,0|2,0,0]=4 337 B8R1.52 CC1(C=CC=C1)CO T236756 [0,1,0,0,1,0|1,0,1]=4 338 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [0,2,0,0,0,0|2,0,0]=4 339 B10R1.1 CC1=CC=C(C=N1)CNN PH019120 [0,2,0,0,0,0|1,0,0]=3 340 B10R1.1 CC1=CN=C(C=N1)CNN PH019269 [0,2,0,0,0,0|2,0,0]=4 341 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [0,2,0,0,0,0|0,0,0]=2 342 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [0,2,0,0,0,0|1,0,0]=3 343 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [0,2,0,0,0,0|2,0,0]=4 344 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [0,2,0,0,0,0|1,0,0]=3 345 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [0,2,0,0,0,0|1,0,0]=3 346 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [0,2,0,0,0,0|1,0,0]=3 347 B10R1.1 CCOC1=NC=C(C=C1)N PH010489 [0,2,0,0,0,0|2,0,0]=4 348 B10R1.1 CCOC1=NN=C(C=C1)Cl T160105 [0,2,0,0,0,0|1,0,0]=3 349 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [0,2,0,0,0,0|1,0,0]=3 350 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [0,2,0,0,0,0|1,0,0]=3 351 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [0,2,0,0,0,0|1,0,0]=3 352 B10R1.1 CNCC1=CC=C(N=C1)Cl CBR01530 [0,2,0,0,0,0|0,0,0]=2 353 B10R1.1 COCC1=CC=C(C=C1)O S392596 [0,2,0,0,0,0|1,0,0]=3 354 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [0,2,0,0,0,0|1,0,0]=3 355 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [0,2,0,0,0,0|1,0,0]=3 356 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [0,2,0,0,0,0|1,0,0]=3 357 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [0,2,0,0,0,0|2,0,0]=4 358 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [0,2,0,0,0,0|1,0,1]=4 359 B10R1.3 BrCC1=CC=C(C=C1)CBr S36308 [0,2,0,0,0,0|2,0,0]=4 360 B10R1.3 C#CC1=CC=C(C=N1)OC CDS023940 [0,2,0,0,0,0|1,0,0]=3 361 B10R1.3 CCC1=CC=C(C=C1)CN L480800 [0,2,0,0,0,0|1,0,0]=3 362 B10R1.3 CCC1=CN=C(C=C1)CCl PH018993 [0,2,0,0,0,0|0,0,0]=2 363 B10R1.3 CCC1=CN=C(C=C1)CN PH017759 [0,2,0,0,0,0|0,0,0]=2 364 B10R1.3 CCC1=CN=C(C=C1)CO CBR01470 [0,2,0,0,0,0|0,0,0]=2 365 B10R1.3 CNC1=CC=C(C=C1)N=O S396362 [0,2,0,0,0,0|2,0,0]=4 366 B10R1.3 CNC1=NC=C(C=C1)CN PH019550 [0,2,0,0,0,0|1,0,0]=3 367 B10R1.3 COC1=CC=C(C=C1)[Hg]Cl S881198 [0,2,0,0,0,0|2,0,0]=4 368 B10R1.3 COC1=CN=C(C=C1)CCl CDS023439 [0,2,0,0,0,0|1,0,0]=3 369 B10R1.3 CSC1=CC=C(C=C1)CN CDS002972 [0,2,0,0,0,0|2,0,0]=4 370 B10R1.3 N#CC1=CC=C(C=C1)CN CDS003082 [0,2,0,0,0,0|2,0,0]=4 371 B10R1.3 N#CC1=CC=C(C=C1)CS OTV000790 [0,2,0,0,0,0|2,0,0]=4 372 B10R1.3 N#CC1=CC=C(C=N1)CN CDS007218 [0,2,0,0,0,0|1,0,0]=3 373 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [0,2,0,0,0,0|2,0,0]=4 374 B10R1.3 NCC1=CC=C(C=C1)CO CDS017680 [0,2,0,0,0,0|2,0,0]=4 375 B10R1.3 O=CC1=CC=C(N=C1)CF PH016021 [0,2,0,0,0,0|1,0,1]=4 376 B10R1.3 [C-]#[N+]C1=CC=C(C=C1)CC PH015675 [0,2,0,0,0,0|1,0,0]=3 377 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [0,2,0,0,0,0|1,0,1]=4 378 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [0,2,0,0,0,0|0,0,1]=3 379 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [0,2,0,0,0,0|1,0,0]=3 380 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [0,2,0,0,0,0|1,0,0]=3 381 B10R1.13 CC1=CC=C(C=N1)B(O)O CDS020001 [0,2,0,0,0,0|2,0,0]=4 382 B10R1.13 CC1=CC=C(C=N1)[N+](=O)[O-] PH010163 [0,2,0,0,0,0|2,0,0]=4 383 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [0,2,0,0,0,0|2,0,0]=4 384 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [0,2,0,0,0,0|1,0,1]=4 385 B10R1.13 O=[N+]([O-])C1=CC=C(N=C1)S PH009935 [0,2,0,0,0,0|2,0,0]=4 386 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [0,2,0,0,0,0|2,0,0]=4 387 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [0,2,0,0,0,0|2,0,0]=4 388 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [0,2,0,0,0,0|2,0,0]=4 389 B10R1.25 CCN1C=CC(=O)NC1=O S787973 [0,2,0,0,0,0|1,0,1]=4 390 B10R1.25 CC[N+]1=CC=C(C=C1C)C S635375 [0,2,0,0,0,0|2,0,0]=4 391 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [0,2,0,0,0,0|2,0,0]=4 392 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [0,2,0,0,0,0|2,0,0]=4 393 B10R1.25 COC1=C(N=C(C=C1)N)Cl PHB00092 [0,2,0,0,0,0|1,0,0]=3 394 B10R1.25 COC1=C(N=C(N=C1)N)O S108472 [0,2,0,0,0,0|2,0,0]=4 395 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [0,2,0,0,0,0|2,0,0]=4 396 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [0,2,0,0,0,0|2,0,0]=4 397 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [0,2,0,0,0,0|2,0,0]=4 398 B10R1.25 COC1=CC=C(N=C1Br)I ADE000467 [0,2,0,0,0,0|1,0,0]=3 399 B10R1.25 COC1=CC=C(N=C1I)I ADE000548 [0,2,0,0,0,0|1,0,0]=3 400 B10R1.25 COC1=CN=C(N=C1O)C S217115 [0,2,0,0,0,0|2,0,0]=4 401 B10R1.25 COC1=CN=C(N=C1[O-])[S-] S217034 [0,2,0,0,0,0|2,0,0]=4 402 B10R1.25 FC1=CC(=CC=C1CS)Cl CDS003831 [0,2,0,0,0,0|2,0,0]=4 403 B10R1.25 FC1=CC=C(C(=C1)Cl)CBr CDS001435 [0,2,0,0,0,0|2,0,0]=4 404 B10R1.25 N#CC1=C(C=C(N=C1)Cl)Cl CDS006486 [0,2,0,0,0,0|1,0,1]=4 405 B10R1.25 NCC1=CC=C(C=C1F)Br CDS003182 [0,2,0,0,0,0|2,0,0]=4 406 B10R1.25 O=CC1=CC=C(N=C1Cl)Br ADE000570 [0,2,0,0,0,0|1,0,1]=4 407 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [0,2,0,0,0,0|2,0,0]=4 408 B10R1.25 OCC1=CC=C(N=C1Cl)Cl KOB0069 [0,2,0,0,0,0|1,0,0]=3 409 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [0,2,0,0,0,0|2,0,0]=4 410 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [0,2,0,0,0,0|2,0,0]=4 411 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [0,2,0,0,0,0|2,0,0]=4 412 B10R1.176 CC1=C(N=CC(=C1)C=O)Cl KOB0126 [0,2,0,0,0,0|1,0,1]=4 413 B10R1.176 CC1=CC(=CN=C1F)C#N CDS014714 [0,2,0,0,0,0|1,0,1]=4 414 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [0,2,0,0,0,0|1,0,0]=3 415 B10R1.176 CC[N+]1=CC=C(C(=C1)C)C S621005 [0,2,0,0,0,0|2,0,0]=4 416 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [0,2,0,0,0,0|2,0,0]=4 417 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [0,2,0,0,0,0|2,0,0]=4 418 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [0,2,0,0,0,0|2,0,0]=4 419 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [0,2,0,0,0,0|2,0,0]=4 420 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [0,2,0,0,0,0|2,0,0]=4 421 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [0,2,0,0,0,0|2,0,0]=4 422 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [0,2,0,0,0,0|2,0,0]=4 423 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [0,2,0,0,0,0|2,0,0]=4 424 B10R1.176 CSC1=CC=C(C(=C1)Cl)Cl S696323 [0,2,0,0,0,0|2,0,0]=4 425 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [0,2,0,0,0,0|2,0,0]=4 426 B10R1.176 ClC1=CC(=CC=C1Br)CBr MNO000028 [0,2,0,0,0,0|2,0,0]=4 427 B10R1.176 FC1=C(C=C(C=C1)CBr)Cl CDS003168 [0,2,0,0,0,0|2,0,0]=4 428 B10R1.176 FC1=CC(=CC=C1Cl)CBr CDS019938 [0,2,0,0,0,0|2,0,0]=4 429 B10R1.176 FC1=CC=C(C=C1F)CS CDS003759 [0,2,0,0,0,0|2,0,0]=4 430 B10R1.176 N#CC1=CC(=C(N=C1)Cl)Br PHB00170 [0,2,0,0,0,0|1,0,1]=4 431 B10R1.176 NCC1=CC=C(C(=C1)Br)F CDS001554 [0,2,0,0,0,0|2,0,0]=4 432 B10R1.176 O=CC1=CN=C(C(=C1)F)Cl CDS023935 [0,2,0,0,0,0|1,0,1]=4 433 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [0,2,0,0,0,0|2,0,0]=4 434 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [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 COC1=C(C(=CC=C1)C)O L167932 [0,2,0,0,0,0|2,0,0]=4 438 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [0,2,0,0,0,0|2,0,0]=4 439 B10R1.2 COC1=CC=CC(=C1N)Br CDS022850 [0,2,0,0,0,0|2,0,0]=4 440 B10R1.2 COC1=CN=CC(=C1C)N ADE000538 [0,2,0,0,0,0|1,0,0]=3 441 B10R1.2 COC1=CN=CC(=C1Cl)N ADE000480 [0,2,0,0,0,0|1,0,0]=3 442 B10R1.2 COC1=CN=CC(=C1I)N ADE000461 [0,2,0,0,0,0|1,0,0]=3 443 B10R1.2 ClC1=C(C(=CC=C1)CBr)Cl CDS003275 [0,2,0,0,0,0|2,0,0]=4 444 B10R1.2 ClCC1=CC=CC(=C1Cl)Cl CDS013551 [0,2,0,0,0,0|2,0,0]=4 445 B10R1.2 FC1=C(C=CC=C1CBr)Cl CDS003049 [0,2,0,0,0,0|2,0,0]=4 446 B10R1.2 OCC1=C(C(=CC=C1)Cl)F CDS021698 [0,2,0,0,0,0|2,0,0]=4 447 B10R1.2 OCC1=CC=CC(=C1F)Br CDS016758 [0,2,0,0,0,0|2,0,0]=4 448 B10R1.8 CC1=CC(=CC(=C1)CN)C CDS003079 [0,2,0,0,0,0|2,0,0]=4 449 B10R1.8 ClCC1=CC(=CC(=C1)Cl)Cl PH011765 [0,2,0,0,0,0|2,0,0]=4 450 B10R1.8 FC1=CC(=CC(=C1)CS)F CDS003557 [0,2,0,0,0,0|2,0,0]=4 451 B10R1.8 OCC1=CC(=CC(=C1)F)Cl L300985 [0,2,0,0,0,0|2,0,0]=4 452 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [0,2,0,0,0,0|1,0,1]=4 453 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [0,2,0,0,0,0|2,0,0]=4 454 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [0,2,0,0,0,0|2,0,0]=4 455 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [0,2,0,0,0,0|2,0,0]=4 456 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [0,2,0,0,0,0|1,0,0]=3 457 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [0,2,0,0,0,0|1,0,0]=3 458 B10R1.10 CCOC1=CC(=CC=N1)Br CDS009065 [0,2,0,0,0,0|2,0,0]=4 459 B10R1.10 CCOC1=NC(=CC=C1)Cl S446335 [0,2,0,0,0,0|2,0,0]=4 460 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [0,2,0,0,0,0|1,0,0]=3 461 B10R1.10 CNCC1=CC=CC(=N1)N PH015469 [0,2,0,0,0,0|2,0,0]=4 462 B10R1.10 CNCC1=NC(=CC=C1)C S363774 [0,2,0,0,0,0|2,0,0]=4 463 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [0,2,0,0,0,0|2,0,0]=4 464 B10R1.10 COCC1=CC=CC(=N1)C S352160 [0,2,0,0,0,0|2,0,0]=4 465 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [0,2,0,0,0,0|1,0,0]=3 466 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [0,2,0,0,0,0|1,0,0]=3 467 B10R1.10 N#CCC1=CC(=CN=C1)Br PHB00054 [0,2,0,0,0,0|0,0,1]=3 468 B10R1.10 N#CCC1=C[N+](=CC=C1)[O-] PH004983 [0,2,0,0,0,0|0,0,2]=4 469 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [0,2,0,0,0,0|2,0,0]=4 470 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [0,2,0,0,0,0|2,0,0]=4 471 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [0,2,0,0,0,0|1,0,1]=4 472 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [0,2,0,0,0,0|1,0,1]=4 473 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [0,2,0,0,0,0|2,0,0]=4 474 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [0,2,0,0,0,0|2,0,0]=4 475 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [0,2,0,0,0,0|2,0,0]=4 476 B10R1.30 CC1=CC=C(C=C1CN)Cl CDS002947 [0,2,0,0,0,0|2,0,0]=4 477 B10R1.30 CC1=CN=C(C(=C1)C#N)Cl ADE000761 [0,2,0,0,0,0|1,0,1]=4 478 B10R1.30 CC1=CN=C(C(=C1)C=O)Cl ADE000744 [0,2,0,0,0,0|1,0,1]=4 479 B10R1.30 CC1=CN=C(C(=C1)C=O)N ADE000734 [0,2,0,0,0,0|1,0,1]=4 480 B10R1.30 CC1=CN=C(C(=C1)CO)Cl ADE000776 [0,2,0,0,0,0|1,0,0]=3 481 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [0,2,0,0,0,0|1,0,0]=3 482 B10R1.30 CCC1=C(C=CC(=N1)Cl)C CBR01609 [0,2,0,0,0,0|2,0,0]=4 483 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [0,2,0,0,0,0|1,0,0]=3 484 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [0,2,0,0,0,0|1,0,0]=3 485 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [0,2,0,0,0,0|1,0,0]=3 486 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [0,2,0,0,0,0|1,0,0]=3 487 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [0,2,0,0,0,0|2,0,0]=4 488 B10R1.30 CNC1=CC(=NN=C1Cl)Cl T163481 [0,2,0,0,0,0|2,0,0]=4 489 B10R1.30 COC1=C(N=CC(=C1)O)I ADE000212 [0,2,0,0,0,0|1,0,0]=3 490 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [0,2,0,0,0,0|2,0,0]=4 491 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [0,2,0,0,0,0|2,0,0]=4 492 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [0,2,0,0,0,0|2,0,0]=4 493 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [0,2,0,0,0,0|2,0,0]=4 494 B10R1.30 COC1=CC(=CN=C1Br)Br ADE000499 [0,2,0,0,0,0|1,0,0]=3 495 B10R1.30 COC1=CC(=CN=C1Br)I ADE000493 [0,2,0,0,0,0|1,0,0]=3 496 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [0,2,0,0,0,0|1,0,0]=3 497 B10R1.30 COC1=CC(=CN=C1Cl)Cl ADE000192 [0,2,0,0,0,0|1,0,0]=3 498 B10R1.30 COC1=CC(=CN=C1I)Br ADE000418 [0,2,0,0,0,0|1,0,0]=3 499 B10R1.30 COC1=CC(=CN=C1I)I ADE000564 [0,2,0,0,0,0|1,0,0]=3 500 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [0,2,0,0,0,0|2,0,0]=4 501 B10R1.30 CSC1=CC(=CC=C1Cl)Cl S393142 [0,2,0,0,0,0|2,0,0]=4 502 B10R1.30 ClC1=CC(=C(C=C1)Br)CBr PH000507 [0,2,0,0,0,0|2,0,0]=4 503 B10R1.30 FC1=CC=C(C(=C1)CBr)Br CDS003096 [0,2,0,0,0,0|2,0,0]=4 504 B10R1.30 N#CC1=CC(=CN=C1N)Br ADE000394 [0,2,0,0,0,0|1,0,1]=4 505 B10R1.30 NC1=NC=C(C=C1C=O)F ADE000398 [0,2,0,0,0,0|1,0,1]=4 506 B10R1.30 NC1=NC=C(C=C1C=O)I ADE000277 [0,2,0,0,0,0|1,0,1]=4 507 B10R1.30 NC1=NC=C(C=C1CO)I ADE000278 [0,2,0,0,0,0|1,0,0]=3 508 B10R1.30 NCC1=CC(=CC=C1Cl)Br CDS023703 [0,2,0,0,0,0|2,0,0]=4 509 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [0,2,0,0,0,0|2,0,0]=4 510 B10R1.30 O=CC1=CC(=CN=C1Cl)Br ADE000401 [0,2,0,0,0,0|1,0,1]=4 511 B10R1.30 O=CC1=CC(=CN=C1Cl)Cl ADE000188 [0,2,0,0,0,0|1,0,1]=4 512 B10R1.30 O=CC1=CC(=CN=C1Cl)F ADE000400 [0,2,0,0,0,0|1,0,1]=4 513 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [0,2,0,0,0,0|2,0,0]=4 514 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [0,2,0,0,0,0|2,0,0]=4 515 B10R1.30 OCC1=CC(=CN=C1Cl)Br ADE000402 [0,2,0,0,0,0|1,0,0]=3 516 B10R1.30 OCC1=CC(=CN=C1Cl)F ADE000404 [0,2,0,0,0,0|1,0,0]=3 517 B10R1.113 BrC1=CC(=CC=C1)C(Br)Br S600709 [0,2,0,0,0,0|2,0,0]=4 518 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [0,2,0,0,0,0|1,0,1]=4 519 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [0,2,0,0,0,0|0,0,2]=4 520 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [0,2,0,0,0,0|1,0,0]=3 521 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [0,2,0,0,0,0|1,0,0]=3 522 B10R1.113 CC(C)C1=CC=CC(=N1)N CDS009744 [0,2,0,0,0,0|2,0,0]=4 523 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [0,2,0,0,0,0|1,0,0]=3 524 B10R1.113 CC(O)C1=CC=CC(=N1)N PH018818 [0,2,0,0,0,0|2,0,0]=4 525 B10R1.113 CC(O)C1=C[N+](=CC=C1)[O-] S668419 [0,2,0,0,0,0|0,0,1]=3 526 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [0,2,0,0,0,0|1,0,0]=3 527 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [0,2,0,0,0,0|1,0,0]=3 528 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [0,2,0,0,0,0|2,0,0]=4 529 B10R1.113 CC1=CN=CC(=C1)B(O)O CDS020146 [0,2,0,0,0,0|2,0,0]=4 530 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [0,2,0,0,0,0|2,0,0]=4 531 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [0,2,0,0,0,0|2,0,0]=4 532 B10R1.113 CN(C)C1=CN=CC(=N1)I SYX00371 [0,2,0,0,0,0|2,0,0]=4 533 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [0,2,0,0,0,0|2,0,0]=4 534 B10R1.113 FC1=CC=CC(=C1)C(F)F MNO000026 [0,2,0,0,0,0|2,0,0]=4 535 B10R1.113 NC1=CC(=CC=C1)C(F)F MNO000180 [0,2,0,0,0,0|2,0,0]=4 536 B10R1.113 O=N(=O)C1=CN=CC(=C1)Br ANV00040 [0,2,0,0,0,0|2,0,0]=4 537 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [0,2,0,0,0,0|1,0,0]=3 538 B10R1.172 COC1=CN=CC(=C1)C#N ADE000443 [0,2,0,0,0,0|1,0,0]=3 539 B10R1.172 COC1=CN=CC(=C1)CO ADE000457 [0,2,0,0,0,0|1,0,0]=3 540 B10R1.172 CSC1=CC=CC(=C1)CN CBR01014 [0,2,0,0,0,0|2,0,0]=4 541 B10R1.172 N#CC1=CC(=CC=C1)CS OTV000789 [0,2,0,0,0,0|2,0,0]=4 542 B10R1.172 NCC1=CC=CC(=C1)CO CBR00928 [0,2,0,0,0,0|2,0,0]=4 543 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,2,0,0,0,0|1,0,1]=4 544 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [0,2,0,0,0,0|0,0,1]=3 545 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,2,0,0,0,0|1,0,1]=4 546 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [0,2,0,0,0,0|1,0,0]=3 547 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [0,2,0,0,0,0|1,0,0]=3 548 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [0,2,0,0,0,0|1,0,0]=3 549 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [0,2,0,0,0,0|2,0,0]=4 550 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [0,2,0,0,0,0|2,0,0]=4 551 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [0,2,0,0,0,0|0,0,0]=2 552 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [0,2,0,0,0,0|2,0,0]=4 553 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [0,2,0,0,0,0|1,0,0]=3 554 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [0,2,0,0,0,0|1,0,0]=3 555 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [0,2,0,0,0,0|1,0,0]=3 557 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [0,2,0,0,0,0|1,0,0]=3 558 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,2,0,0,0,0|1,0,1]=4 559 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [0,2,0,0,0,0|1,0,0]=3 560 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [0,2,0,0,0,0|1,0,0]=3 561 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [0,2,0,0,0,0|0,0,0]=2 562 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [0,2,0,0,0,0|1,0,0]=3 563 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [0,2,0,0,0,0|2,0,0]=4 564 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [0,2,0,0,0,0|1,0,0]=3 565 B10R1.28 CC(C)(O)C1=CN=CC=C1 PH009821 [0,2,0,0,0,0|0,0,0]=2 566 B10R1.28 CP(=S)(C)C1=CC=CC=C1 S543330 [0,2,0,0,0,0|2,0,0]=4 567 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 R750611 [0,2,0,0,0,0|2,0,0]=4 568 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S370363 [0,2,0,0,0,0|2,0,0]=4 569 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S96440 [0,2,0,0,0,0|2,0,0]=4 570 B10R1.28 C[Te](Br)(Br)C1=CC=CC=C1 S14827 [0,2,0,0,0,0|2,0,0]=4 571 B10R1.28 FC(F)(F)C1=CN=CN=C1 MNO000108 [0,2,0,0,0,0|2,0,0]=4 572 B10R1.28 O=S(=O)(Cl)C1=CN=CC=C1 CDS013908 [0,2,0,0,0,0|2,0,0]=4 573 B10R1.28 O=S(=O)([O-])C1=CN=CC=C1 S370525 [0,2,0,0,0,0|2,0,0]=4 574 B10R1.28 O[B-](O)(O)C1=CN=CC=C1 BCH00013 [0,2,0,0,0,0|2,0,0]=4 575 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,2,0,0,0,0|1,0,1]=4 576 B10R1.61 CC(=O)C1=NC=CN=C1Cl PHB00229 [0,2,0,0,0,0|1,0,1]=4 577 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [0,2,0,0,0,0|1,0,0]=3 578 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [0,2,0,0,0,0|1,0,0]=3 579 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [0,2,0,0,0,0|1,0,0]=3 580 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [0,2,0,0,0,0|1,0,0]=3 581 B10R1.61 CC(O)C1=CC=CC=[N+]1C S236144 [0,2,0,0,0,0|2,0,0]=4 582 B10R1.61 CC1=C(C=CC=N1)B(O)O BML00230 [0,2,0,0,0,0|2,0,0]=4 583 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [0,2,0,0,0,0|1,0,1]=4 584 B10R1.61 CC1=C(C=NC=C1)B(O)O BML00295 [0,2,0,0,0,0|2,0,0]=4 585 B10R1.61 CC1=C(C=NC=C1)B(O)O CDS003860 [0,2,0,0,0,0|2,0,0]=4 586 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [0,2,0,0,0,0|1,0,1]=4 587 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [0,2,0,0,0,0|1,0,0]=3 588 B10R1.61 CC1=CC=CN=C1C(C)N CBR00418 [0,2,0,0,0,0|2,0,0]=4 589 B10R1.61 CC1=NC=CC=C1B(O)O CDS019614 [0,2,0,0,0,0|2,0,0]=4 590 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [0,2,0,0,0,0|2,0,0]=4 591 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [0,2,0,0,0,0|2,0,0]=4 592 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [0,2,0,0,0,0|1,0,0]=3 593 B10R1.61 FC1=C(C=CC=C1)C(F)F MNO000027 [0,2,0,0,0,0|2,0,0]=4 594 B10R1.61 OB(O)C1=CN=CC=C1Cl CDS023251 [0,2,0,0,0,0|2,0,0]=4 595 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [0,2,0,0,0,0|2,0,0]=4 596 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [0,2,0,0,0,0|1,0,0]=3 597 B10R1.4 CC1=CC=CN=C1CCN CDS009037 [0,2,0,0,0,0|2,0,0]=4 598 B10R1.4 CC1=NC=CC=C1CNN PH019261 [0,2,0,0,0,0|1,0,0]=3 599 B10R1.4 CCNC1=CC=CC=C1C S571016 [0,2,0,0,0,0|1,0,0]=3 600 B10R1.4 CCOC1=CC=CC=C1F S362085 [0,2,0,0,0,0|1,0,0]=3 601 B10R1.4 CCOC1=NC=CC=C1I ADE000294 [0,2,0,0,0,0|2,0,0]=4 602 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [0,2,0,0,0,0|1,0,0]=3 603 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [0,2,0,0,0,0|1,0,0]=3 604 B10R1.4 CNCC1=CC=CN=C1Cl CBR00860 [0,2,0,0,0,0|0,0,0]=2 605 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [0,2,0,0,0,0|1,0,0]=3 606 B10R1.4 CSCC1=CC=CC=C1Br S663395 [0,2,0,0,0,0|1,0,0]=3 607 B10R1.4 NC1=NC=CC=C1/C=N/O ADE000280 [0,2,0,0,0,0|1,0,1]=4 608 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [0,2,0,0,0,0|1,0,0]=3 609 B10R1.4 NCCN1C=CC=CC1=O PH019084 [0,2,0,0,0,0|2,0,0]=4 610 B10R1.4 NCCN1C=CC=CC1=O T300829 [0,2,0,0,0,0|2,0,0]=4 611 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [0,2,0,0,0,0|2,0,0]=4 612 B10R1.4 O/N=C/C1=C(C=CN=C1)Cl ADE000661 [0,2,0,0,0,0|1,0,1]=4 613 B10R1.4 O=C1C=CC=CN1CCO T161284 [0,2,0,0,0,0|2,0,0]=4 614 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [0,2,0,0,0,0|1,0,1]=4 615 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [0,2,0,0,0,0|1,0,0]=3 616 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [0,2,0,0,0,0|1,0,0]=3 617 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [0,2,0,0,0,0|1,0,1]=4 618 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [0,2,0,0,0,0|1,0,1]=4 619 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [0,2,0,0,0,0|1,0,1]=4 620 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [0,2,0,0,0,0|1,0,1]=4 621 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [0,2,0,0,0,0|1,0,1]=4 622 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [0,2,0,0,0,0|2,0,0]=4 623 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [0,2,0,0,0,0|2,0,0]=4 624 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [0,2,0,0,0,0|2,0,0]=4 625 B10R1.17 CNCCC1=NC=CC=C1 R750492 [0,2,0,0,0,0|2,0,0]=4 626 B10R1.17 COCCC1=CC=NC=C1 PH007374 [0,2,0,0,0,0|2,0,0]=4 627 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [0,2,0,0,0,0|1,0,1]=4 628 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [0,2,0,0,0,0|2,0,0]=4 629 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [0,2,0,0,0,0|2,0,0]=4 630 B10R1.17 N#CCCC1=NC=CC=C1 CBR00364 [0,2,0,0,0,0|2,0,0]=4 631 B10R1.17 N#CCNC1=CC=CC=C1 CDS003237 [0,2,0,0,0,0|1,0,1]=4 632 B10R1.17 NCCCC1=CN=CN=C1 PH019029 [0,2,0,0,0,0|1,0,0]=3 633 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [0,2,0,0,0,0|1,0,0]=3 634 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [0,2,0,0,0,0|0,0,0]=2 635 B10R1.17 OCC#CC1=CN=CN=C1 T327743 [0,2,0,0,0,0|1,0,1]=4 636 B10R1.17 [C-]#[N+]CCC1=NC=CC=C1 PH015418 [0,2,0,0,0,0|2,0,0]=4 637 B10R1.17 [N-]=[N+]=NCC1=CN=CC=C1 CBR01635 [0,2,0,0,0,0|1,0,0]=3 638 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [0,2,0,0,0,0|1,0,0]=3 639 B10R1.18 BrC(Br)[Hg]C1=CC=CC=C1 S110507 [0,2,0,0,0,0|2,0,0]=4 640 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,2,0,0,0,0|1,0,0]=3 641 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,2,0,0,0,0|2,0,0]=4 642 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,2,0,0,0,0|0,0,0]=2 643 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [0,2,0,0,0,0|1,0,0]=3 644 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [0,2,0,0,0,0|2,0,0]=4 645 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [0,2,0,0,0,0|2,0,0]=4 646 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [0,2,0,0,0,0|2,0,0]=4 647 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [0,2,0,0,0,0|0,0,0]=2 648 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [0,2,0,0,0,0|1,0,0]=3 649 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [0,2,0,0,0,0|1,0,0]=3 650 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [0,2,0,0,0,0|2,0,0]=4 651 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [0,2,0,0,0,0|1,0,0]=3 652 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [0,2,0,0,0,0|1,0,1]=4 653 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [0,2,0,0,0,0|1,0,1]=4 654 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [0,2,0,0,0,0|0,0,1]=3 655 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [0,2,0,0,0,0|2,0,0]=4 656 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [0,2,0,0,0,0|2,0,0]=4 657 B10R1.20 CNC1=CC=CC=C1C#N PH010322 [0,2,0,0,0,0|2,0,0]=4 658 B10R1.20 CNC1=CC=CC=C1CN PH016819 [0,2,0,0,0,0|2,0,0]=4 659 B10R1.20 CNC1=CC=CN=C1NC PH018784 [0,2,0,0,0,0|1,0,0]=3 660 B10R1.20 COC1=CC=CC=C1NN S264407 [0,2,0,0,0,0|2,0,0]=4 661 B10R1.20 COC1=CC=CC=C1[Hg]Cl S826243 [0,2,0,0,0,0|2,0,0]=4 662 B10R1.20 COC1=CC=CN=C1C=O CDS007985 [0,2,0,0,0,0|1,0,0]=3 663 B10R1.20 COC1=NC=CC=C1C#N CBR01155 [0,2,0,0,0,0|1,0,1]=4 664 B10R1.20 CSC1=C(C=CC=C1)CCl OTV000976 [0,2,0,0,0,0|2,0,0]=4 665 B10R1.20 CSC1=CC=CC=C1CO PH002490 [0,2,0,0,0,0|2,0,0]=4 666 B10R1.245 C(=O)C1=C(C=CN=C1F)Br SYX00399 [0,2,0,0,0,0|1,0,1]=4 667 B10R1.245 C(=O)C1=C(C=CN=C1F)I SYX00351 [0,2,0,0,0,0|1,0,1]=4 668 B10R1.245 CC1=C(C(=CC=C1)Cl)CN CDS000918 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.245 CC1=CC=CC(=C1CBr)C CDS022041 [0,2,0,0,0,0|2,0,0]=4 670 B10R1.245 CC1=CC=CC(=C1CBr)F CDS020960 [0,2,0,0,0,0|2,0,0]=4 671 B10R1.245 CC1=CC=CC(=C1CO)C PH002994 [0,2,0,0,0,0|2,0,0]=4 672 B10R1.245 COC1=C(C=CC=C1Br)N CDS023930 [0,2,0,0,0,0|2,0,0]=4 673 B10R1.245 COC1=C(C=CC=C1Cl)F CDS002901 [0,2,0,0,0,0|2,0,0]=4 674 B10R1.245 COC1=C(C=CN=C1Br)I ADE000177 [0,2,0,0,0,0|1,0,0]=3 675 B10R1.245 COC1=C(C=CN=C1Br)O ADE000159 [0,2,0,0,0,0|1,0,0]=3 676 B10R1.245 COC1=C(C=CN=C1C)Cl CDS024135 [0,2,0,0,0,0|1,0,0]=3 677 B10R1.245 FC1=CC=CC(=C1CS)F CDS006153 [0,2,0,0,0,0|2,0,0]=4 678 B10R1.245 NCC1=C(C=CC=C1Cl)Cl L480827 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.245 O=CC1=C(C=CN=C1Cl)O CDS023887 [0,2,0,0,0,0|1,0,1]=4 680 B10R1.245 OCC1=C(C=CN=C1Cl)I ADE000565 [0,2,0,0,0,0|1,0,0]=3 681 B10R1.245 OCC1=C(N=CN=C1Cl)Cl CDS021203 [0,2,0,0,0,0|2,0,0]=4 682 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,1,0,1,0,0|1,0,1]=4 683 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [0,1,0,1,0,0|2,0,0]=4 684 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [0,1,0,1,0,0|0,0,2]=4 685 B10R2.7 C1=CC2=C(C=N1)C=NN2 BLN00013 [0,1,0,1,0,0|1,0,1]=4 686 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [0,1,0,1,0,0|0,0,2]=4 687 B10R2.7 C1=CC2=C(C=N1)NN=C2 BLN00001 [0,1,0,1,0,0|1,0,1]=4 688 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [0,1,0,1,0,0|0,0,2]=4 689 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [0,1,0,1,0,0|2,0,0]=4 690 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [0,1,0,1,0,0|0,0,2]=4 691 B10R2.7 C1=CN=C2C=NNC2=C1 BLN00003 [0,1,0,1,0,0|1,0,1]=4 692 B6R1.2 BrC1=CC=CO1 CDS020809 [1,0,0,0,1,0|2,0,0]=4 693 B6R1.2 BrC1=NOC=C1 CDS005417 [1,0,0,0,1,0|2,0,0]=4 694 B6R1.2 CC1=CC=NN1 CDS002430 [1,0,0,0,1,0|1,0,0]=3 695 B6R1.2 CC1=COC=C1 CDS019631 [1,0,0,0,1,0|1,0,0]=3 696 B6R1.2 CC1=NC=CS1 CDS000301 [1,0,0,0,1,0|1,0,0]=3 697 B6R1.2 CC1=NNC=N1 CDS020176 [1,0,0,0,1,0|2,0,0]=4 698 B6R1.2 ClC1=CNN=C1 CDS019988 [1,0,0,0,1,0|2,0,0]=4 699 B6R1.2 IC1=NNC=C1 BML00254 [1,0,0,0,1,0|2,0,0]=4 700 B6R1.2 N1C=CN=C1N CDS020502 [1,0,0,0,1,0|2,0,0]=4 701 B6R1.2 NC1=CN=CS1 CDS008189 [1,0,0,0,1,0|2,0,0]=4 702 B6R1.2 NC1=CSC=C1 PHB00043 [1,0,0,0,1,0|2,0,0]=4 703 B6R1.2 NC1=NC=CS1 R646520 [1,0,0,0,1,0|2,0,0]=4 704 B6R1.2 NN1C=CC=C1 CDS000078 [1,0,0,0,1,0|2,0,0]=4 705 B6R1.2 OC1=NSC=C1 CDS008627 [1,0,0,0,1,0|2,0,0]=4 706 B10R1.161 COC1=CC=CC=CC=C1 T179892 [0,0,0,0,0,2|2,0,0]=4