0 B10R1.18 BrC(Br)[Hg]C1=CC=CC=C1 S110507 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [1,0,0,0,0,0|1,0,2]=4 24 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.8 CCOC1=CC=CC=N1 S442267 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 CNCC1=NC=NC=C1 PH017743 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.8 CNCC1=NC=NC=C1 PH019105 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.8 COCC1=CC=CC=N1 S363146 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,1,0,0,0,0|1,0,1]=3 43 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [0,1,0,0,0,0|1,0,2]=4 44 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,1,0,0,0,0|1,0,1]=3 45 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,1,0,0,0,0|1,0,1]=3 46 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.20 CC(C)SC1=CC=C(C=C1)Cl PH000601 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,1,0,0,0,0|1,0,1]=3 57 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S614556 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S862371 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.20 CC1=CC=C(C=C1)NC(=S)N R612898 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.20 N=C(N)NC1=CC=C(C=C1)F S614564 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,1,0,0,0,0|1,0,1]=3 65 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [0,1,0,0,0,0|1,0,1]=3 68 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br PH010901 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.20 NC(=S)NC1=CC=C(C=C1)Cl PH010858 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [0,1,0,0,0,0|0,0,0]=1 72 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [0,1,0,0,0,0|0,0,0]=1 73 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [0,1,0,0,0,0|1,0,2]=4 74 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,1,0,0,0,0|1,0,1]=3 75 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,1,0,0,0,0|1,0,1]=3 77 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 PH000523 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.36 CC(C)C(N)C1=CC=CC=N1 CBR00662 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.36 CC(C)C(N)C1=CC=CN=C1 CBR00667 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [0,1,0,0,0,0|1,0,0]=2 84 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.36 CN(N)C(=N)C1=CC=CC=C1 S32361 [0,1,0,0,0,0|1,0,1]=3 90 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [0,1,0,0,0,0|1,0,1]=3 91 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,1,0,0,0,0|1,0,1]=3 92 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.36 P(=O)([O-])C(O)C1=CC=CC=C1 S359920 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [0,1,0,0,0,0|0,0,0]=1 98 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [0,1,0,0,0,0|1,0,1]=3 102 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.40 CNC(C)CC1=NC=CC=C1 CBR00462 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,1,0,0,0,0|1,0,2]=4 105 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,1,0,0,0,0|0,0,2]=3 107 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [0,1,0,0,0,0|1,0,2]=4 111 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,1,0,0,0,0|1,0,1]=3 113 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,1,0,0,0,0|1,0,1]=3 114 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [0,1,0,0,0,0|1,0,0]=2 120 B11R1.40 OC(CCl)C[N+]1=CC=CC=C1 S65065 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.86 C/[N+](=C/C1=C(C=CC=C1)O)/[O-] L170356 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,1,0,0,0,0|1,0,1]=3 124 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.86 CC(C)OC1=CC=CC=C1N CDS002647 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.86 CC(C)OC1=NC=CC=C1I ADE000296 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.86 CC(C)SC1=CC=CC=C1N CBR00953 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.86 CC(C)SC1=CC=CC=C1N PH010950 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,1,0,0,0,0|1,0,1]=3 139 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,1,0,0,0,0|1,0,1]=3 140 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,1,0,0,0,0|1,0,1]=3 141 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,1,0,0,0,0|1,0,1]=3 142 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,1,0,0,0,0|1,0,1]=3 148 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.157 CC(N)CC1=CC=CC(=C1)Br CDS022739 [0,1,0,0,0,0|0,0,0]=1 153 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.157 CC1=CC(=CC=C1)NC(C)C S657476 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.157 CC1=CC(=NC=C1)CC(C)O PH015436 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.157 CC1=CC=CC(=N1)CC(C)O PH015426 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.157 CN(N)CC1=CC=CC(=C1)Cl PH007608 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.157 FC1=CC=CC(=C1)OC(F)F MNO000146 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.157 NC(=O)C[N+]1=CC=CC(=C1)F S914169 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.157 NC(=S)NC1=CC=CC(=C1)Cl S549614 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.157 OC1=CC=CC(=C1)OC(F)F CDS005791 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 R284572 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342041 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342068 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.509 C[N+](C)(N)CC1=CC=CC=C1 S761869 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.509 C[N+](C)([O-])CC1=CC=CC=C1 S428078 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.509 ClC(Cl)(Cl)[Hg]C1=CC=CC=C1 S851965 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.509 FC(F)(F)CC1=CC=CC=C1 MNO000048 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.509 FC(F)(F)[Hg]C1=CC=CC=C1 S110469 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.509 NS(=O)(=O)OC1=CC=CC=C1 PH008054 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.509 O=S(=O)([O-])CC1=CC=CC=C1 S808962 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.509 [SiH2](C1=CC=CC=C1)C(C)(C)C S831409 [0,1,0,0,0,0|1,1,0]=3 177 B11R2.10 CC1=NC2=CC=CN=C2N1 CBR01690 [0,0,0,1,0,0|2,0,1]=4 178 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [0,0,0,1,0,0|1,0,0]=2 179 B11R2.10 CN1CC2=CC=CC=C2C1 PH012966 [0,0,0,1,0,0|2,0,0]=3 180 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,0,0,1,0,0|1,0,1]=3 181 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,0,0,1,0,0|2,0,1]=4 182 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,0,0,1,0,0|2,0,1]=4 183 B11R2.10 SC1CC2=CC=CC=C2C1 CDS023745 [0,0,0,1,0,0|1,0,0]=2 184 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [0,0,0,0,1,0|2,0,0]=3 185 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [0,0,0,0,1,0|2,0,0]=3 186 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [0,0,0,0,1,0|1,0,0]=2 187 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [0,0,0,0,1,0|1,0,0]=2 188 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [0,0,0,0,1,0|1,0,0]=2 189 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [0,0,0,0,1,0|1,0,0]=2 190 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [0,0,0,0,1,0|2,0,0]=3 191 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [0,0,0,0,1,0|2,0,1]=4 192 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,0,0,0,1,0|2,0,1]=4 193 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,0,0,0,1,0|3,0,0]=4 194 B9R1.13 CC(=O)CC1=CC=CO1 CDS001522 [0,0,0,0,1,0|2,0,1]=4 195 B9R1.13 CC(N)CC1=NC=CS1 CDS011820 [0,0,0,0,1,0|2,0,0]=3 196 B9R1.13 CC(O)CC1=CC=CS1 S365017 [0,0,0,0,1,0|2,0,0]=3 197 B9R1.13 NC(=O)CC1=CC=CS1 S90671 [0,0,0,0,1,0|2,0,1]=4 198 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,0,0,0,0,1|1,0,1]=3 199 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,0,0,0,0,1|1,0,1]=3 200 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [0,0,0,0,0,1|1,0,2]=4 201 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [0,0,0,0,0,1|1,0,2]=4 202 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,0,0,0,0,1|1,0,1]=3 203 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [0,0,0,0,0,1|2,0,1]=4 204 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [0,0,0,0,0,1|2,0,1]=4 205 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [0,0,0,0,0,1|1,0,0]=2 206 B11R1.91 CC(C)N=CC1=CC=CC=C1 S376825 [0,0,0,0,0,1|1,0,1]=3 207 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [0,0,0,0,0,1|1,0,0]=2 208 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [0,0,0,0,0,1|1,0,0]=2 209 B11R1.91 CC(C)NCC1=CC=CN=C1 CBR00082 [0,0,0,0,0,1|2,0,0]=3 210 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [0,0,0,0,0,1|1,0,0]=2 211 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [0,0,0,0,0,1|0,0,0]=1 212 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [0,0,0,0,0,1|0,0,0]=1 213 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 R428108 [0,0,0,0,0,1|2,0,1]=4 214 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 S361119 [0,0,0,0,0,1|2,0,1]=4 215 B11R1.91 CN(C)CCC1=CC=NC=C1 PH000201 [0,0,0,0,0,1|3,0,0]=4 216 B11R1.91 CN(C)CCC1=NC=CC=C1 PH000750 [0,0,0,0,0,1|3,0,0]=4 217 B11R1.91 CN(C)CCC1=NC=CC=C1 S456276 [0,0,0,0,0,1|3,0,0]=4 218 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [0,0,0,0,0,1|1,0,0]=2 219 B11R1.91 CN(O)CCC1=CC=NC=C1 PH008939 [0,0,0,0,0,1|3,0,0]=4 220 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [0,0,0,0,0,1|3,0,0]=4 221 B11R1.91 N=C(N)CCC1=NC=CC=C1 PH015393 [0,0,0,0,0,1|2,0,1]=4 222 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [0,0,0,0,0,1|1,0,1]=3 223 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [0,0,0,0,0,1|1,0,1]=3 224 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [0,0,0,0,0,1|1,0,2]=4 225 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [0,0,0,0,0,1|2,0,1]=4 226 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,0,0,0,0,1|1,0,1]=3 227 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,0,0,0,0,1|1,0,1]=3 228 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [0,0,0,0,0,1|2,0,1]=4 229 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [0,0,0,0,0,1|1,0,1]=3 230 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [0,0,0,0,0,1|1,0,1]=3 231 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [0,0,0,0,0,1|1,0,1]=3 232 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [0,0,0,0,0,1|2,0,1]=4 233 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [0,0,0,0,0,1|2,0,1]=4 234 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [0,0,0,0,0,1|3,0,0]=4 235 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 236 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|0,0,2]=4 237 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|0,0,2]=4 238 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|0,0,2]=4 239 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|0,0,0]=2 241 B8R1.2 NCC1=CN=CC=C1 S763780 [2,0,0,0,0,0|1,0,0]=3 242 B8R1.2 NCC1=CN=CC=N1 CDS009594 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|2,0,0]=4 245 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.1 CC1=CC=C(C=N1)CNN PH019120 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.1 CC1=CN=C(C=C1)CNN PH019260 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,1,0,0,0,0|0,0,0]=2 250 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [1,1,0,0,0,0|1,0,0]=3 252 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.1 CCOC1=NC=C(C=C1)N PH010489 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.1 CNCC1=CC=C(N=C1)Cl CBR01530 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [1,1,0,0,0,0|0,0,0]=2 267 B10R1.4 CC1=CC=CN=C1CCN CDS009037 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.4 CC1=NC=CC=C1CNN PH019261 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.4 CCNC1=CC=CC=C1C S571016 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.4 CCOC1=CC=CC=C1F S362085 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.4 CCOC1=NC=CC=C1I ADE000294 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.4 CNCC1=CC=CN=C1Cl CBR00860 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.4 CSCC1=CC=CC=C1Br S663395 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [1,1,0,0,0,0|0,0,0]=2 278 B10R1.4 NCCN1C=CC=CC1=O PH019084 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.4 NCCN1C=CC=CC1=O T300829 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.4 O=C1C=CC=CN1CCO T161284 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [1,1,0,0,0,0|1,0,1]=4 283 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [1,1,0,0,0,0|1,0,1]=4 284 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.10 CC1=CC=CC(=N1)CNN PH019298 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.10 CC1=NC=CC(=C1)CNN PH019247 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [1,1,0,0,0,0|0,0,0]=2 290 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.10 CCOC1=CC(=CC=N1)Br CDS009065 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.10 CCOC1=NC(=CC=C1)Cl S446335 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.10 CNCC1=CC=CC(=N1)N PH015469 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.10 CNCC1=NC(=CC=C1)C S363774 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.10 COCC1=CC=CC(=N1)C S352160 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [1,1,0,0,0,0|1,0,1]=4 304 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [1,1,0,0,0,0|1,0,1]=4 305 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [1,1,0,0,0,0|1,0,1]=4 321 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [1,1,0,0,0,0|0,0,0]=2 322 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [1,1,0,0,0,0|1,0,1]=4 323 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [1,1,0,0,0,0|0,0,2]=4 327 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [1,1,0,0,0,0|0,0,1]=3 328 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [1,1,0,0,0,0|0,0,2]=4 330 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [1,1,0,0,0,0|0,0,2]=4 331 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.17 CNCCC1=NC=CC=C1 R750492 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.17 COCCC1=CC=NC=C1 PH007374 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [1,1,0,0,0,0|0,0,2]=4 337 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [1,1,0,0,0,0|1,0,0]=3 338 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.17 N#CCCC1=NC=CC=C1 CBR00364 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.17 N#CCNC1=CC=CC=C1 CDS003237 [1,1,0,0,0,0|0,0,2]=4 341 B10R1.17 NCCCC1=CN=CN=C1 PH019029 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [1,1,0,0,0,0|0,0,0]=2 343 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.17 [C-]#[N+]CCC1=NC=CC=C1 PH015418 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [1,1,0,0,0,0|0,0,0]=2 346 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [0,1,0,0,1,0|1,0,1]=4 347 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [0,1,0,0,1,0|1,0,0]=3 348 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [0,1,0,0,1,0|1,0,0]=3 349 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,1,0,0,1,0|1,0,1]=4 350 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [0,1,0,0,1,0|2,0,0]=4 351 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [0,1,0,0,1,0|1,0,1]=4 352 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [0,1,0,0,1,0|1,0,1]=4 353 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [0,1,0,0,1,0|1,0,1]=4 354 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [0,1,0,0,1,0|1,0,1]=4 355 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [0,1,0,0,1,0|1,0,1]=4 356 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [0,1,0,0,1,0|1,0,1]=4 357 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [0,1,0,0,1,0|0,0,0]=2 358 B10R1.28 CC(C)(O)C1=CN=CC=C1 PH009821 [0,1,0,0,1,0|2,0,0]=4 359 B10R1.28 CP(=S)(C)C1=CC=CC=C1 S543330 [0,1,0,0,1,0|2,0,0]=4 360 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 R750611 [0,1,0,0,1,0|2,0,0]=4 361 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S370363 [0,1,0,0,1,0|2,0,0]=4 362 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S96440 [0,1,0,0,1,0|2,0,0]=4 363 B10R1.28 C[Te](Br)(Br)C1=CC=CC=C1 S14827 [0,1,0,0,1,0|2,0,0]=4 364 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,1,0,0,1,0|1,0,1]=4 365 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [0,1,0,0,1,0|1,0,0]=3 366 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [0,1,0,0,1,0|0,0,0]=2 367 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [0,1,0,0,1,0|0,0,0]=2 368 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [0,1,0,0,1,0|1,0,0]=3 369 B10R1.61 CC(O)C1=CC=CC=[N+]1C S236144 [0,1,0,0,1,0|2,0,0]=4 370 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [0,1,0,0,1,0|1,0,1]=4 371 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [0,1,0,0,1,0|1,0,1]=4 372 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [0,1,0,0,1,0|0,0,0]=2 373 B10R1.61 CC1=CC=CN=C1C(C)N CBR00418 [0,1,0,0,1,0|1,0,0]=3 374 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [0,1,0,0,1,0|2,0,0]=4 375 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [0,1,0,0,1,0|2,0,0]=4 376 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [0,1,0,0,1,0|0,0,0]=2 377 B10R1.61 FC1=C(C=CC=C1)C(F)F MNO000027 [0,1,0,0,1,0|2,0,0]=4 378 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [0,1,0,0,1,0|1,0,1]=4 379 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [0,1,0,0,1,0|1,0,1]=4 380 B10R1.113 BrC1=CC(=CC=C1)C(Br)Br S600709 [0,1,0,0,1,0|2,0,0]=4 381 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [0,1,0,0,1,0|1,0,1]=4 382 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [0,1,0,0,1,0|1,0,0]=3 383 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [0,1,0,0,1,0|1,0,0]=3 384 B10R1.113 CC(C)C1=CC=CC(=N1)N CDS009744 [0,1,0,0,1,0|2,0,0]=4 385 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [0,1,0,0,1,0|0,0,0]=2 386 B10R1.113 CC(O)C1=CC=CC(=N1)N PH018818 [0,1,0,0,1,0|2,0,0]=4 387 B10R1.113 CC(O)C1=C[N+](=CC=C1)[O-] S668419 [0,1,0,0,1,0|2,0,0]=4 388 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [0,1,0,0,1,0|0,0,0]=2 389 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [0,1,0,0,1,0|0,0,0]=2 390 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [0,1,0,0,1,0|1,0,1]=4 391 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [0,1,0,0,1,0|1,0,0]=3 392 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [0,1,0,0,1,0|2,0,0]=4 393 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [0,1,0,0,1,0|2,0,0]=4 394 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [0,1,0,0,1,0|1,0,0]=3 395 B10R1.113 FC1=CC=CC(=C1)C(F)F MNO000026 [0,1,0,0,1,0|2,0,0]=4 396 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [0,1,0,0,1,0|1,0,1]=4 397 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [0,1,0,0,1,0|1,0,1]=4 398 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [0,1,0,0,1,0|1,0,1]=4 399 B10R1.113 NC1=CC(=CC=C1)C(F)F MNO000180 [0,1,0,0,1,0|2,0,0]=4 400 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [0,1,0,0,0,1|1,0,1]=4 401 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Br VBP00216 [0,1,0,0,0,1|1,0,1]=4 402 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [0,1,0,0,0,1|1,0,1]=4 403 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [0,1,0,0,0,1|1,0,1]=4 404 B12R1.21 CC(C)/N=C/C1=CC=C(C=C1)Cl PH008253 [0,1,0,0,0,1|1,0,1]=4 405 B12R1.21 CC(C)CCC1=CC=C(C=C1)O S511803 [0,1,0,0,0,1|1,0,0]=3 406 B12R1.21 CC(C)COC1=CC=C(C=C1)N CDS008265 [0,1,0,0,0,1|1,0,0]=3 407 B12R1.21 CC(C)NCC1=CC=C(C=C1)Cl PH011090 [0,1,0,0,0,1|1,0,0]=3 408 B12R1.21 CC1=CC=C(C=C1)OCC(C)O PH015463 [0,1,0,0,0,1|1,0,0]=3 409 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S452254 [0,1,0,0,0,1|2,0,0]=4 410 B12R1.21 CN(C)CSC1=CC=C(C=C1)Cl PH007326 [0,1,0,0,0,1|2,0,0]=4 411 B12R1.21 N=C(N)COC1=CC=C(C=C1)Br CBR01126 [0,1,0,0,0,1|1,0,1]=4 412 B12R1.21 N=C(N)COC1=CC=C(C=C1)F PH015367 [0,1,0,0,0,1|1,0,1]=4 413 B12R1.21 N=C(N)SCC1=CC=C(C=C1)Cl PH012544 [0,1,0,0,0,1|1,0,1]=4 414 B12R1.21 N=C(N)SCC1=CC=C(C=C1)F T165948 [0,1,0,0,0,1|1,0,1]=4 415 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [0,1,0,0,0,1|1,0,1]=4 416 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [0,1,0,0,0,1|1,0,1]=4 417 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [0,1,0,0,0,1|1,0,1]=4 418 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [0,1,0,0,0,1|1,0,1]=4 419 B12R1.21 NC(=[S+]CC1=CC=C(C=C1)Cl)N R278254 [0,1,0,0,0,1|1,0,1]=4 420 B12R1.27 C=CC(C)CSC1=CC=CC=C1 T215546 [0,1,0,0,0,1|1,0,0]=3 421 B12R1.27 CC(C#N)CSC1=CC=CC=C1 S614289 [0,1,0,0,0,1|0,0,1]=3 422 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [0,1,0,0,0,1|1,0,1]=4 423 B12R1.27 CNC(=S)NCC1=CC=CC=C1 R278815 [0,1,0,0,0,1|1,0,1]=4 424 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [0,1,0,0,0,1|1,0,1]=4 425 B12R1.27 CSC(=S)OCC1=CC=CC=C1 S863475 [0,1,0,0,0,1|1,0,1]=4 426 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 PH012682 [0,1,0,0,0,1|1,0,1]=4 427 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [0,1,0,0,0,1|1,0,1]=4 428 B12R1.27 NCC(O)COC1=CC=CC=C1 PH010102 [0,1,0,0,0,1|1,0,0]=3 429 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [0,1,0,0,0,1|1,0,1]=4 430 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [0,1,0,0,0,1|1,0,1]=4 431 B12R1.27 NNC(=S)NCC1=CC=CC=C1 S539333 [0,1,0,0,0,1|1,0,1]=4 432 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CBR01981 [0,1,0,0,0,1|1,0,1]=4 433 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [0,1,0,0,0,1|1,0,1]=4 434 B12R1.27 OC(CCl)CSC1=CC=CC=C1 PH009388 [0,1,0,0,0,1|1,0,0]=3 435 B12R1.27 OCC(O)COC1=CN=CC=C1 PH008942 [0,1,0,0,0,1|2,0,0]=4 436 B12R1.27 OCC(O)CSC1=CC=CC=C1 S614637 [0,1,0,0,0,1|1,0,0]=3 437 B12R1.43 CC(C)C(=O)NC1=CC=CC=C1 S799874 [0,1,0,0,0,1|1,0,1]=4 438 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 S939773 [0,1,0,0,0,1|1,0,1]=4 439 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [0,1,0,0,0,1|1,0,1]=4 440 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [0,1,0,0,0,1|1,0,1]=4 441 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [0,1,0,0,0,1|1,0,1]=4 442 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 PH011659 [0,1,0,0,0,1|1,0,1]=4 443 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 S889105 [0,1,0,0,0,1|2,0,0]=4 444 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N PH015234 [0,1,0,0,0,1|1,0,1]=4 445 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N CBR01175 [0,1,0,0,0,1|1,0,1]=4 446 B12R1.43 CN(N)C(=S)NC1=CC=CC=C1 PH009743 [0,1,0,0,0,1|1,0,1]=4 447 B12R1.107 C/C(=C/C(C)C)/C1=CC=CC=C1 S674036 [0,1,0,0,0,1|1,0,1]=4 448 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 S561150 [0,1,0,0,0,1|1,0,0]=3 449 B12R1.107 CC(C)CC(=O)C1=CC=CN=C1 CBR01334 [0,1,0,0,0,1|2,0,0]=4 450 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CDS000576 [0,1,0,0,0,1|1,0,1]=4 451 B12R1.107 CC(CN(C)N)C1=CC=CC=C1 PH001335 [0,1,0,0,0,1|1,0,0]=3 452 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH011871 [0,1,0,0,0,1|2,0,0]=4 453 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH018832 [0,1,0,0,0,1|2,0,0]=4 454 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 PH018728 [0,1,0,0,0,1|2,0,0]=4 455 B12R1.125 C=C(C)COC1=CC=CC=C1Cl PH007539 [0,1,0,0,0,1|1,0,1]=4 456 B12R1.125 C=C(C)CSC1=CC=CC=C1C S722219 [0,1,0,0,0,1|1,0,1]=4 457 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [0,1,0,0,0,1|1,0,1]=4 458 B12R1.125 CC(O)COC1=CC=CC=C1Cl PH006972 [0,1,0,0,0,1|1,0,0]=3 459 B12R1.125 CC1=C(C=CC=C1)OCC(=S)N OTV000238 [0,1,0,0,0,1|1,0,1]=4 460 B12R1.125 CC1=C(C=CC=C1)OCC(C)O PH016252 [0,1,0,0,0,1|1,0,0]=3 461 B12R1.125 CC1=CC=CC=C1CNC(C)C CDS011840 [0,1,0,0,0,1|1,0,0]=3 462 B12R1.125 CC1=CC=CC=C1OCC(=O)N R715522 [0,1,0,0,0,1|1,0,1]=4 463 B12R1.125 N=C(N)CCC1=C(C=CC=C1)Cl PH015728 [0,1,0,0,0,1|1,0,1]=4 464 B12R1.125 N=C(N)SCC1=C(C=CC=C1)Cl T282057 [0,1,0,0,0,1|1,0,1]=4 465 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [0,1,0,0,0,1|1,0,1]=4 466 B12R1.125 NC(=O)COC1=C(C=CC=C1)O CDS020826 [0,1,0,0,0,1|1,0,1]=4 467 B12R1.226 CC(=O)COC1=CC=CC(=C1)Br OTV000350 [0,1,0,0,0,1|1,0,1]=4 468 B12R1.226 N=C(N)COC1=CC=CC(=C1)Cl CBR01127 [0,1,0,0,0,1|1,0,1]=4 469 B12R1.226 N=C(N)SCC1=CC(=CC=C1)Cl S533416 [0,1,0,0,0,1|1,0,1]=4 470 B12R1.891 CC(C)(C)OCC1=CC=CC=C1 S653853 [0,1,0,0,0,1|1,0,0]=3 471 B12R1.891 CC(C)(O)/C=C/C1=CC=CC=C1 S881074 [0,1,0,0,0,1|1,0,1]=4 472 B12R1.891 C[Si](Cl)(Cl)CCC1=CC=CC=C1 S585440 [0,1,0,0,0,1|1,1,0]=4 473 B12R1.4 C#CC1=CC=C(C=C1)CC(C)C S683094 [0,2,0,0,0,0|1,0,0]=3 474 B12R1.4 C(=O)C1=CC=C(C=C1)OC(C)C CDS014228 [0,2,0,0,0,0|2,0,0]=4 475 B12R1.4 C=CC1=CC=C(C=C1)CN(C)C TMT00671 [0,2,0,0,0,0|2,0,0]=4 476 B12R1.4 CC(C)CC1=CC=C(C=C1)C#N PH017291 [0,2,0,0,0,0|1,0,0]=3 477 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O CDS000461 [0,2,0,0,0,0|1,0,0]=3 478 B12R1.4 CN(C)CC1=CC=C(C=C1)C#N S683116 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.4 COC1=CC=C(C=C1)CC(=N)N PH014588 [0,2,0,0,0,0|1,0,1]=4 480 B12R1.4 COC1=CC=C(C=C1)CC(=O)N S580813 [0,2,0,0,0,0|1,0,1]=4 481 B12R1.4 COC1=CC=C(C=C1)CN(C)N PH007521 [0,2,0,0,0,0|1,0,0]=3 482 B12R1.4 COC1=CC=C(C=C1)NC(C)C PH009967 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.19 N=C(N)CC1=CC(=C(C=C1)F)F PH015013 [0,2,0,0,0,0|1,0,1]=4 484 B12R1.20 CC(Cl)C(=O)C1=CC=C(C=C1)F PH015115 [0,2,0,0,0,0|1,0,1]=4 485 B12R1.20 CC1=CC=C(C=C1)C(=O)C(C)Br OTV000292 [0,2,0,0,0,0|1,0,1]=4 486 B12R1.20 CC1=CC=C(C=C1)C(=O)C(C)C S732516 [0,2,0,0,0,0|1,0,1]=4 487 B12R1.49 CC1=CC=C(C=C1)CC(O)CCl S838438 [0,2,0,0,0,0|1,0,0]=3 488 B12R1.49 CC1=CC=[N+](C=C1)CC(O)CCl S65057 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [0,2,0,0,0,0|0,0,0]=2 490 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PH005153 [0,2,0,0,0,0|1,0,1]=4 491 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl S734578 [0,2,0,0,0,0|1,0,1]=4 492 B12R1.49 COC(=O)CC1=CC=C(C=C1)N CDS002964 [0,2,0,0,0,0|1,0,1]=4 493 B12R1.49 CS/C(=N/C1=CC=C(C=C1)Cl)/N PH011891 [0,2,0,0,0,0|1,0,1]=4 494 B12R1.49 N/C(=N/O)/CC1=CC=C(C=C1)Br PH014888 [0,2,0,0,0,0|1,0,1]=4 495 B12R1.49 NC(CC1=CC=C(C=C1)O)N=O PH016710 [0,2,0,0,0,0|1,0,0]=3 496 B12R1.106 CC(C)(C)OC1=CC=C(C=C1)N OTV000288 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.106 CC(C)(C)SC1=CC=C(C=C1)Cl PH007438 [0,2,0,0,0,0|2,0,0]=4 498 B12R1.106 CC(C)(O)CC1=CC=C(C=C1)Cl R278378 [0,2,0,0,0,0|1,0,0]=3 499 B12R1.106 CS(=O)(=O)CC1=CC=C(C=C1)Cl PH009147 [0,2,0,0,0,0|2,0,0]=4 500 B12R1.233 CC(=O)CC1=CC=C(C=C1C)C R226734 [0,2,0,0,0,0|1,0,1]=4 501 B12R1.233 CC(C)OC1=C(C=C(C=C1)N)Cl CDS002313 [0,2,0,0,0,0|2,0,0]=4 502 B12R1.233 CC(C)OC1=CC=C(C=C1O)Cl PH018757 [0,2,0,0,0,0|2,0,0]=4 503 B12R1.233 CC(C)OC1=CC=C(C=C1O)F PH018775 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.233 CN(N)CC1=CC=C(C=C1Cl)Cl PH001217 [0,2,0,0,0,0|1,0,0]=3 505 B12R1.233 NC(=S)CC1=C(C=C(C=C1)F)Cl PH015040 [0,2,0,0,0,0|1,0,1]=4 506 B12R1.34 CC(C#N)C(=O)C1=CC=CC=C1 S452645 [0,2,0,0,0,0|0,0,2]=4 507 B12R1.34 CC(C1=CC=CC=C1)N(C)N=O PH001188 [0,2,0,0,0,0|1,0,1]=4 508 B12R1.34 CC(CCl)C(=O)C1=CC=CC=C1 S919217 [0,2,0,0,0,0|1,0,1]=4 509 B12R1.34 CCC(=O)C(C)C1=CC=CC=C1 S593516 [0,2,0,0,0,0|1,0,1]=4 510 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [0,2,0,0,0,0|1,0,0]=3 511 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [0,2,0,0,0,0|1,0,0]=3 512 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [0,2,0,0,0,0|1,0,0]=3 513 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [0,2,0,0,0,0|1,0,0]=3 514 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [0,2,0,0,0,0|1,0,1]=4 515 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 PH018434 [0,2,0,0,0,0|0,0,0]=2 516 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 T278246 [0,2,0,0,0,0|1,0,1]=4 517 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 S792535 [0,2,0,0,0,0|1,0,1]=4 518 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 S888060 [0,2,0,0,0,0|1,0,1]=4 519 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 TMT00574 [0,2,0,0,0,0|1,0,1]=4 520 B12R1.34 N#CC(Br)C(Br)C1=CC=CC=C1 S886327 [0,2,0,0,0,0|1,0,1]=4 521 B12R1.34 NC(CO)C(Cl)C1=CC=CC=C1 PH013300 [0,2,0,0,0,0|0,0,0]=2 522 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH011988 [0,2,0,0,0,0|0,0,0]=2 523 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH012669 [0,2,0,0,0,0|0,0,0]=2 524 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH018696 [0,2,0,0,0,0|0,0,0]=2 525 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 PH006903 [0,2,0,0,0,0|1,0,1]=4 526 B12R1.124 CC1=CC=CC=C1C(=O)C(C)C PH001066 [0,2,0,0,0,0|1,0,1]=4 527 B12R1.225 CC(C)C(=O)C1=CC(=CC=C1)Cl PH010271 [0,2,0,0,0,0|1,0,1]=4 528 B12R1.225 CC(C1=CC=CC(=C1)O)N(C)C CDS006914 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.225 CC1=CC(=CC=C1)C(=O)C(C)C PH010272 [0,2,0,0,0,0|1,0,1]=4 530 B12R1.225 OC(C1=CC=CC(=C1)Cl)C(Cl)Cl S407143 [0,2,0,0,0,0|2,0,0]=4 531 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S306045 [0,2,0,0,0,0|1,0,1]=4 532 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S495409 [0,2,0,0,0,0|1,0,1]=4 533 B12R1.253 CC(C)(C(=O)N)C1=CC=CC=C1 PH011015 [0,2,0,0,0,0|1,0,1]=4 534 B12R1.253 CC(O)(C(=O)N)C1=CC=CC=C1 S888540 [0,2,0,0,0,0|1,0,1]=4 535 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 R157570 [0,2,0,0,0,0|1,0,0]=3 536 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S490466 [0,2,0,0,0,0|1,0,0]=3 537 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S495131 [0,2,0,0,0,0|1,0,0]=3 538 B12R1.478 C(CC)(C1=CC=CC=C1)[C@@H](C)O S316032 [0,2,0,0,0,0|1,0,0]=3 539 B12R1.478 CC(C)/C(=N\O)/C1=CC=CC=C1 PH010705 [0,2,0,0,0,0|1,0,1]=4 540 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 S380946 [0,2,0,0,0,0|1,0,0]=3 541 B12R1.478 CCC(C(=O)N)C1=CC=CC=C1 S364401 [0,2,0,0,0,0|1,0,1]=4 542 B12R1.478 CNC(C(=O)C)C1=CC=CC=C1 PH012470 [0,2,0,0,0,0|1,0,1]=4 543 B12R1.478 COC(C(=O)N)C1=CC=CC=C1 S937428 [0,2,0,0,0,0|1,0,1]=4 544 B12R1.564 CC(C)(N)C(O)C1=CC=CC=C1 PH004997 [0,2,0,0,0,0|0,0,0]=2 545 B12R1.564 CC(C1=CC=CC=C1)[N+](C)(C)C S312444 [0,2,0,0,0,0|2,0,0]=4 546 B12R1.564 CC(C1=CC=CC=C1)[N+](C)(C)C S988030 [0,2,0,0,0,0|2,0,0]=4 547 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F CVT00059 [0,2,0,0,0,0|2,0,0]=4 548 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F MNO000085 [0,2,0,0,0,0|2,0,0]=4 549 B12R1.32 C=CCC(O)CC1=CC=CC=C1 PH010446 [0,2,0,0,0,0|1,0,0]=3 550 B12R1.32 C=CCN(C)CC1=CC=CC=C1 S879746 [0,2,0,0,0,0|2,0,0]=4 551 B12R1.32 C=CCN(N)CC1=CC=CC=C1 PH001229 [0,2,0,0,0,0|1,0,0]=3 552 B12R1.32 CC#CC(O)CC1=CC=CC=C1 S935468 [0,2,0,0,0,0|1,0,0]=3 553 B12R1.32 CC(CCN)SC1=CC=CC=C1 S117501 [0,2,0,0,0,0|1,0,0]=3 554 B12R1.32 CC(CNN)OC1=CC=CC=C1 PH018967 [0,2,0,0,0,0|1,0,0]=3 555 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [0,2,0,0,0,0|1,0,0]=3 556 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [0,2,0,0,0,0|1,0,1]=4 557 B12R1.32 CN(CCCl)CC1=CC=CC=C1 S427179 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.32 O=CNC(=O)CC1=CC=CC=C1 S909793 [0,2,0,0,0,0|1,0,1]=4 559 B12R1.50 CC1=CC(=CC=C1)C/C(=N/O)/N BOG00133 [0,2,0,0,0,0|1,0,1]=4 560 B12R1.118 CCN(CC)CC1=CC=CC=C1 R235946 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 PH008400 [0,2,0,0,0,0|0,0,0]=2 562 B12R1.118 COC(OC)SC1=CC=CC=C1 S866296 [0,2,0,0,0,0|2,0,0]=4 563 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 OTV000771 [0,2,0,0,0,0|0,0,1]=3 564 B12R1.194 CC(C)(C#N)SC1=CC=CC=C1 S919322 [0,2,0,0,0,0|1,0,1]=4 565 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 PH007325 [0,2,0,0,0,0|0,0,0]=2 566 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 R425613 [0,2,0,0,0,0|1,0,0]=3 567 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 PH010917 [0,2,0,0,0,0|1,0,0]=3 568 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 PH000278 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.194 CNS(=O)(=O)CC1=CC=CC=C1 PH011278 [0,2,0,0,0,0|2,0,0]=4 570 B12R1.194 O=S(=O)(CCl)CC1=CC=CC=C1 T163902 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.371 CCN(N)CC1=C(C=CC=C1)Br PH000635 [0,2,0,0,0,0|1,0,0]=3 572 B12R1.371 CNC(C)CC1=NC=CC=C1C PH015005 [0,2,0,0,0,0|1,0,0]=3 573 B12R1.371 COC(=O)CC1=C(C=CC=C1)Cl EME00173 [0,2,0,0,0,0|1,0,1]=4 574 B12R1.371 COC(=O)CC1=CC=CC=C1Br CDS003546 [0,2,0,0,0,0|1,0,1]=4 575 B12R1.371 COC(=O)CC1=CC=CC=C1F VBP00089 [0,2,0,0,0,0|1,0,1]=4 576 B12R1.371 NNC(=O)CC1=C(C=CC=C1)F CBR02131 [0,2,0,0,0,0|1,0,1]=4 577 B12R1.371 NNC(=O)CC1=CC=CC=C1O S668850 [0,2,0,0,0,0|1,0,1]=4 578 B12R1.75 C(=O)C1=C(C=CC=C1)OC(C)C CDS002654 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.75 CN(C)CC1=CC=CC=C1C=O CDS011836 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.75 COC1=C(C=CC=C1)CC(=N)N PH016267 [0,2,0,0,0,0|1,0,1]=4 581 B12R1.75 COC1=C(C=CC=C1)CC(=O)N EME00432 [0,2,0,0,0,0|1,0,1]=4 582 B12R1.75 COC1=CC=CC=C1CN(C)N PH007520 [0,2,0,0,0,0|1,0,0]=3 583 B12R1.75 CSC1=CC=CC=C1CN(C)N PH013334 [0,2,0,0,0,0|1,0,0]=3 584 B12R1.127 CC(C)OC1=CC(=CC=C1Br)F CDS023353 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.127 CC1=CC=C(C(=C1)CN(C)C)O PH019553 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.127 CN(C)CC1=C(C=CC(=C1)Cl)O PH002200 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.127 CN(C)CC1=CC(=CC=C1Br)O CDS022289 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.151 NS(=O)(=O)CC1=C(C=CC=C1)Cl T281255 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.224 CC1=CC=CC(=C1O)CN(C)C PH019066 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.224 CN(C)CC1=C(C(=CC=C1)F)O PH019178 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.224 CN(C)CC1=CC=CC(=C1O)Cl PH018977 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.224 CN(N)CC1=CC=CC(=C1Cl)Cl PH001312 [0,2,0,0,0,0|1,0,0]=3 593 B12R1.1009 CN(C)CC1=C(C=CC=C1F)O PH018981 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.1009 CN(N)CC1=C(C=CC=C1Cl)Cl PH007582 [0,2,0,0,0,0|1,0,0]=3 595 B12R1.1009 N=C(N)CC1=C(C=CC=C1F)Cl PH015036 [0,2,0,0,0,0|1,0,1]=4 596 B12R1.1009 NC(=S)CC1=C(C=CC=C1Cl)Cl PH014656 [0,2,0,0,0,0|1,0,1]=4 597 B12R1.438 CC(C)OC1=CC=CC(=C1)C=O CDS005989 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.438 CN(C)CC1=CC(=CC=C1)C#N S879878 [0,2,0,0,0,0|2,0,0]=4 599 B12R1.438 CN(C)CC1=CC(=CC=C1)CN CBR02345 [0,2,0,0,0,0|2,0,0]=4 600 B12R1.438 CN(C)CC1=CC=CC(=C1)C=O CDS010130 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.438 COC1=CC(=CC=C1)CC(=O)N PH011680 [0,2,0,0,0,0|1,0,1]=4 602 B12R1.438 COC1=CC(=CC=C1)CN(C)N PH013329 [0,2,0,0,0,0|1,0,0]=3 603 B12R1.438 CSC1=CC(=CC=C1)CN(C)N PH007580 [0,2,0,0,0,0|1,0,0]=3 604 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [1,0,0,1,0,0|1,0,0]=3 605 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [1,0,0,1,0,0|2,0,0]=4 606 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|1,0,1]=4 607 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [0,0,0,1,0,1|0,0,2]=4 608 B12R2.24 CC1CNC2=CC=CC=C2O1 VBP00114 [0,0,0,1,0,1|1,0,0]=3 609 B12R2.24 N=C1CSC2=C(N1)C=CC=C2 PH008148 [0,0,0,1,0,1|1,0,1]=4 610 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [0,0,0,1,0,1|1,0,1]=4 611 B12R2.24 NC1COC2=CC=CC=C2C1 CBR01531 [0,0,0,1,0,1|0,0,0]=2 612 B12R2.24 NC1COC2=CC=CC=C2C1 CDS007242 [0,0,0,1,0,1|0,0,0]=2 613 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,0,0,1,0,1|1,0,1]=4 614 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,0,0,1,0,1|1,0,1]=4 615 B12R2.24 OC1CCC2=C(C1)C=CC=C2 TMT00302 [0,0,0,1,0,1|1,0,0]=3 616 B12R2.24 OC1CCC2=CC=CC=C2O1 PH008577 [0,0,0,1,0,1|2,0,0]=4 617 B12R2.24 OC1CN=C2C=CC=CN2C1 T317195 [0,0,0,1,0,1|2,0,0]=4 618 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,0,0,1,0,1|1,0,1]=4 619 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [0,0,0,1,0,1|1,0,1]=4 620 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [0,0,0,1,0,1|1,0,1]=4 621 B12R2.92 BrC1(CC1C2=CC=CC=C2)Br L168734 [0,0,0,1,0,1|2,0,0]=4 622 B12R2.2057 C1=CC(=CC=N1)CNC2CC2 CBR02374 [0,0,0,1,0,1|2,0,0]=4 623 B12R2.2057 C1=CC=C(C=C1)CNC2CC2 CDS004803 [0,0,0,1,0,1|1,0,0]=3 624 B12R2.2057 C1=CN=CC(=C1)CNC2CC2 CBR02375 [0,0,0,1,0,1|2,0,0]=4 625 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [0,1,0,1,0,0|0,0,2]=4 626 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [0,1,0,1,0,0|1,0,1]=4 627 B12R2.606 CC1=NC2=CC=C(C=C2N1)N CDS022382 [0,1,0,1,0,0|1,0,1]=4 628 B12R2.606 CC1CC2=CC(=CC=C2O1)N CBR00712 [0,1,0,1,0,0|1,0,0]=3 629 B12R2.606 CN1CC2=CC=C(C=C2C1)N CDS012772 [0,1,0,1,0,0|2,0,0]=4 630 B12R2.606 N1C(=NC2=C1C=CC(=C2)Cl)C S438812 [0,1,0,1,0,0|1,0,1]=4 631 B12R2.606 N1C2=CC=C(C=C2N=C1C)Br ANV00243 [0,1,0,1,0,0|1,0,1]=4 632 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [0,1,0,1,0,0|1,0,1]=4 633 B12R2.18 CC1CC2=C(N1C)C=CC=C2 S786780 [0,1,0,1,0,0|0,0,0]=2 634 B12R2.18 CN1C(=NC2=C1C=CC=C2)N S11372 [0,1,0,1,0,0|1,0,1]=4 635 B12R2.18 CN1CC2=C(C1=O)C=CC=C2 S701564 [0,1,0,1,0,0|2,0,0]=4 636 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [0,1,0,1,0,0|1,0,1]=4 637 B12R2.18 NC1C2=C(C=CC=C2)CC1Cl S988677 [0,1,0,1,0,0|1,0,0]=3 638 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,1,0,1,0,0|1,0,1]=4 639 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [0,1,0,1,0,0|1,0,1]=4 640 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [0,1,0,1,0,0|1,0,1]=4 641 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 CDS015636 [0,1,0,1,0,0|1,0,0]=3 642 B12R2.27 N#CC1C[C@@H]1C2=CC=CC=C2 S446866 [0,1,0,1,0,0|0,0,1]=3 643 B12R2.32 BrCC1C[N+]2=C(N1)C=CC=C2 R665673 [0,1,0,1,0,0|1,0,0]=3 644 B12R2.32 CNC1CC2=CC=CC=C2C1 CBR01430 [0,1,0,1,0,0|0,0,0]=2 645 B12R2.32 CSC1=NC2=C(N1)C=CC=C2 R429929 [0,1,0,1,0,0|1,0,1]=4 646 B12R2.32 C[Se]C1=NC2=C(N1)C=CC=C2 S202851 [0,1,0,1,0,0|1,0,1]=4 647 B12R2.32 ClCC1=NC2=C(N1)C=CC=C2 S934852 [0,1,0,1,0,0|1,0,1]=4 648 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 CDS001804 [0,1,0,1,0,0|0,0,2]=4 649 B12R2.32 NNC1CC2=C(C1)C=CC=C2 CBR01348 [0,1,0,1,0,0|0,0,0]=2 650 B12R2.32 NNC1CC2=CC=CC=C2C1 PH019071 [0,1,0,1,0,0|0,0,0]=2 651 B12R2.32 SCC1=NC2=CC=CC=C2N1 CBR00787 [0,1,0,1,0,0|1,0,1]=4 652 B12R2.2058 C1=NC=C(C=N1)CC2CNC2 PH018828 [0,1,0,1,0,0|2,0,0]=4 653 B12R2.95 CC1(NC2=C(S1)C=CC=C2)C S435333 [0,1,0,1,0,0|1,0,0]=3 654 B12R2.95 O=S1(=O)CC2=C(C1)C=CC=C2 T163449 [0,1,0,1,0,0|2,0,0]=4 655 B12R2.202 O=C1CC2=C(N1)C(=CC=C2)I PH016779 [0,1,0,1,0,0|1,0,1]=4 656 B8R1.8 CCCN1C=CC=C1 PH010280 [1,0,0,0,1,0|1,0,0]=3 657 B8R1.8 CNCC1=CC=CS1 CDS004831 [1,0,0,0,1,0|2,0,0]=4 658 B8R1.8 CNCC1=CC=CS1 PH012021 [1,0,0,0,1,0|2,0,0]=4 659 B8R1.8 CNCC1=CSC=C1 PH015792 [1,0,0,0,1,0|2,0,0]=4 660 B8R1.8 NCCC1=CC=CO1 CBR02448 [1,0,0,0,1,0|1,0,0]=3 661 B8R1.8 NCCN1C=CC=N1 CDS008012 [1,0,0,0,1,0|2,0,0]=4 662 B8R1.8 NNCC1=CC=CS1 CBR01534 [1,0,0,0,1,0|2,0,0]=4 663 B8R1.8 OCCN1C=CC=C1 CDS000018 [1,0,0,0,1,0|2,0,0]=4 664 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [0,0,0,0,2,0|1,0,0]=3 665 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [0,0,0,0,2,0|1,0,0]=3 666 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [0,0,0,0,2,0|1,0,0]=3 667 B8R1.7 CC(N)C1=NOC=C1 CDS017372 [0,0,0,0,2,0|2,0,0]=4 668 B12R1.252 CC(=CCOC1=CC=CC=C1)C S134643 [0,0,0,0,0,2|1,0,1]=4 669 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [0,0,0,0,0,2|1,0,1]=4 670 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [0,0,0,0,0,2|1,0,1]=4 671 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [0,0,0,0,0,2|1,0,1]=4 672 B12R1.252 CC(=O)O[Hg]CC1=CC=CC=C1 S881120 [0,0,0,0,0,2|1,0,1]=4 673 B12R1.252 CC(C)CCNC1=CC=CC=C1 S705780 [0,0,0,0,0,2|1,0,0]=3 674 B12R1.252 CC(C)CNCC1=CC=CC=C1 CBR01593 [0,0,0,0,0,2|1,0,0]=3 675 B12R1.252 CC(C)NCCC1=CC=CC=N1 PH010347 [0,0,0,0,0,2|2,0,0]=4 676 B12R1.252 CC(O)C/N=C/C1=CC=CC=C1 PH009580 [0,0,0,0,0,2|1,0,0]=3 677 B12R1.252 CC(O)CCCC1=CC=CC=C1 PH000677 [0,0,0,0,0,2|1,0,0]=3 678 B12R1.252 CC(O)CCSC1=CC=CC=C1 T233005 [0,0,0,0,0,2|1,0,0]=3 679 B12R1.252 CC(O)CNCC1=CC=CC=C1 PH009735 [0,0,0,0,0,2|1,0,0]=3 680 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [0,0,0,0,0,2|1,0,0]=3 681 B12R1.252 CN(C)C/C=C/C1=CC=CC=C1 S933392 [0,0,0,0,0,2|2,0,0]=4 682 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 PH007995 [0,0,0,0,0,2|1,0,0]=3 683 B12R1.252 N=C(N)NCCC1=CC=CC=C1 S370282 [0,0,0,0,0,2|1,0,1]=4 684 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [0,0,0,0,0,2|1,0,1]=4 685 B12R1.252 NC(=O)CSCC1=CC=CC=C1 S614386 [0,0,0,0,0,2|1,0,1]=4 686 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [0,0,0,0,0,2|1,0,1]=4 687 B12R1.252 NC(=S)NCCC1=CC=CC=C1 PH011268 [0,0,0,0,0,2|1,0,1]=4 688 B12R1.252 [SiH](C)(C)CCCC1=CC=CC=C1 S829870 [0,0,0,0,0,2|1,1,0]=4