0 B9R1.13 BrC(=CC1=CC=CO1)Br CFSS0001 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.13 BrC(=CC1=CC=CS1)Br CFSS0002 [0,0,0,0,0,0|2,1,1]=4 2 B9R1.13 CC(=O)CC1=CC=CO1 CDS001522 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.13 CC(=O)CC1OCCO1 S561088 [0,0,0,0,0,0|1,0,3]=4 4 B9R1.13 CC(=O)CN1C=CC=N1 CBR00875 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.13 CC(=O)NC1=CSC=C1 S943886 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.13 CC(N)CC1=NC=CS1 CDS011820 [0,0,0,0,0,0|2,1,1]=4 7 B9R1.13 CC(O)CC1=CC=CS1 S365017 [0,0,0,0,0,0|0,1,2]=3 8 B9R1.13 NC(=O)CC1=CC=CS1 S90671 [0,0,0,0,0,0|1,1,0]=2 9 B9R1.13 O=C(O)CC1=CNC=C1 CDS023068 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.13 O=C(O)CC1=CSC=N1 CDS019681 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.13 O=C(O)CC1=CSC=N1 OTV000637 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.13 O=C(O)CC1=NC=CS1 CDS019262 [0,0,0,0,0,0|2,1,0]=3 13 B9R1.13 O=C(O)CN1C=CN=C1 CDS000415 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.8 CCCN1C=CC=C1 PH010280 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.8 CNCC1=CC=CS1 CDS004831 [1,0,0,0,0,0|1,1,0]=3 16 B8R1.8 CNCC1=CC=CS1 PH012021 [1,0,0,0,0,0|1,1,0]=3 17 B8R1.8 CNCC1=CSC=C1 PH015792 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.8 CNCC1=NC=CN1 CBR00689 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.8 N#CCC1=CC=CO1 JRD0290 [1,0,0,0,0,0|1,0,1]=3 20 B8R1.8 N#C[Hg]C1=CC=CO1 S815810 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.8 NCCC1=CC=CO1 CBR02448 [1,0,0,0,0,0|1,0,1]=3 22 B8R1.8 NNCC1=CC=CS1 CBR01534 [1,0,0,0,0,0|2,1,0]=4 23 B8R1.8 O=CNC1=NC=CS1 PH004567 [1,0,0,0,0,0|2,1,0]=4 24 B10R1.23 CN(C)C(=O)C1=CC=CO1 PH008437 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.27 C/C(=C\C1=CC=CO1)/C=O PH011362 [0,1,0,0,0,0|0,0,1]=2 26 B10R1.27 CCC(=O)NC1=NC=CS1 PH008993 [0,1,0,0,0,0|2,1,0]=4 27 B10R1.27 COC(=O)NC1=NC=CS1 T324566 [0,1,0,0,0,0|2,1,0]=4 28 B10R1.27 N/C(=N\O)/CC1=CC=CS1 BOG00085 [0,1,0,0,0,0|1,1,1]=4 29 B10R1.27 NNC(=O)CC1=CSC=C1 CDS014395 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.27 O=C(CCl)NC1=NC=CS1 PH009983 [0,1,0,0,0,0|2,1,0]=4 31 B10R1.54 CC(=O)NC1=NOC(=C1)C T318779 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 T272566 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.54 CC1=CC=C(O1)CN(C)C S508993 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.54 CC1=CN(N=C1)CC(=O)O CBR02380 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.54 CC1=CN=C(S1)CC(=O)[O-] CDS024580 [0,1,0,0,0,0|2,1,0]=4 36 B10R1.54 O=C(O)CC1=CSC(=N1)S L481327 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.54 O=C(O)CC1=NC(=CS1)Cl PHB00307 [0,1,0,0,0,0|2,1,0]=4 38 B10R1.64 CN1C=NC=C1CC(=O)O CDS024600 [0,1,0,0,0,0|3,0,0]=4 39 B8R0.5 C=C(C)CC(O)/C=C/C S504947 [0,0,1,0,0,0|1,0,2]=4 40 B8R0.5 CCOC(=O)CC(=O)C S813079 [0,0,1,0,0,0|1,0,2]=4 41 B8R0.7 C=C/C=C/CCC(=O)O CVT00134 [0,0,1,0,0,0|2,0,1]=4 42 B8R0.7 C=CCOCCC(=O)O CDS000343 [0,0,1,0,0,0|1,0,2]=4 43 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [0,0,0,0,1,0|2,0,0]=3 44 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [0,0,0,0,1,0|2,0,0]=3 45 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [0,0,0,0,1,0|1,1,1]=4 46 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [0,0,0,0,1,0|1,1,1]=4 47 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [0,0,0,0,1,0|2,0,0]=3 48 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [0,0,0,0,1,0|2,0,0]=3 49 B8R1.7 NC(=O)C1=CN=CS1 CDS020516 [0,0,0,0,1,0|2,1,0]=4 50 B8R1.7 NC(=O)C1=CSC=N1 CDS006757 [0,0,0,0,1,0|3,0,0]=4 51 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [0,0,0,0,1,0|2,1,0]=4 52 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [0,0,0,0,1,0|1,1,0]=3 53 B8R1.7 NC(=S)C1=CC=CS1 CDS014286 [0,0,0,0,1,0|1,2,0]=4 54 B8R1.7 O=C(O)C1=CC=CO1 S927228 [0,0,0,0,1,0|1,0,0]=2 55 B8R1.7 O=C(O)C1=CC=NN1 CDS005690 [0,0,0,0,1,0|3,0,0]=4 56 B8R1.7 O=C(O)C1=CC=NS1 CDS010046 [0,0,0,0,1,0|2,1,0]=4 57 B8R1.7 O=C(O)C1=CN=CS1 CDS007958 [0,0,0,0,1,0|2,1,0]=4 58 B8R1.7 O=C(O)C1=NC=CN1 CDS019334 [0,0,0,0,1,0|3,0,0]=4 59 B8R1.7 O=C(O)C1C=CCO1 CDS025234 [0,0,0,0,1,0|1,0,2]=4 60 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,0,0,0,0,1|2,0,0]=3 61 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,0,0,0,0,1|1,0,0]=2 62 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,0,0,0,0,1|1,0,0]=2 63 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [0,0,0,0,0,1|1,0,0]=2 64 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [0,0,0,0,0,1|2,0,0]=3 65 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [0,0,0,0,0,1|2,0,0]=3 66 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [0,0,0,0,0,1|2,0,0]=3 67 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [0,0,0,0,0,1|2,0,1]=4 68 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [0,0,0,0,0,1|3,0,0]=4 69 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [0,0,0,0,0,1|3,0,0]=4 70 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [0,0,0,0,0,1|3,0,0]=4 71 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [0,0,0,0,0,1|3,0,0]=4 72 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [0,0,0,0,0,1|2,0,0]=3 73 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [0,0,0,0,0,1|3,0,0]=4 74 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [0,0,0,0,0,1|3,0,0]=4 75 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [0,0,0,0,0,1|2,0,0]=3 76 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [0,0,0,0,0,1|2,0,0]=3 77 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [0,0,0,0,0,1|3,0,0]=4 78 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [0,0,0,0,0,1|3,0,0]=4 79 B10R1.66 CC(=O)/C=C/C1=CC=CN1 L162493 [0,0,0,0,0,1|1,0,1]=3 80 B10R1.66 CC(=O)CCN1C=CC=N1 S533009 [0,0,0,0,0,1|2,0,0]=3 81 B10R1.66 CC(=O)CSC1=NC=CS1 PH010145 [0,0,0,0,0,1|1,1,0]=3 82 B10R1.66 CC(C)/N=C/C1=CC=CO1 PH008255 [0,0,0,0,0,1|1,0,2]=4 83 B10R1.66 NC(=S)NCC1=CC=CO1 CDS004582 [0,0,0,0,0,1|1,1,0]=3 84 B10R1.66 O=C(O)CCN1C=CC=N1 CBR00771 [0,0,0,0,0,1|3,0,0]=4 85 B10R1.66 O=C([O-])/C=C/C1=CC=CO1 S814792 [0,0,0,0,0,1|1,0,1]=3 86 B10R1.66 O=C([O-])/C=C/C1=CC=CO1 S826022 [0,0,0,0,0,1|1,0,1]=3 87 B10R1.66 O=C([O-])/C=C\C1=CC=CO1 S826030 [0,0,0,0,0,1|1,0,1]=3 88 B7R0.4 C=CCOCC(=O)O CDS023318 [1,0,1,0,0,0|1,0,1]=4 89 B7R1.1 CSC1=CC=CS1 R436550 [2,0,0,0,0,0|1,1,0]=4 90 B7R1.1 Cl[Hg]C1=CC=CO1 S813176 [2,0,0,0,0,0|2,0,0]=4 91 B7R1.1 O=CC1=CC=NN1 CDS003145 [2,0,0,0,0,0|2,0,0]=4 92 B7R1.1 O=CC1=NNC=C1 CDS009918 [2,0,0,0,0,0|2,0,0]=4 93 B7R1.1 O=CC1=NOC=C1 CDS009683 [2,0,0,0,0,0|2,0,0]=4 94 B7R1.1 OCC1=CC=CN1 CDS009556 [2,0,0,0,0,0|1,0,1]=4 95 B7R1.1 SCC1=CC=CS1 CDS000069 [2,0,0,0,0,0|0,2,0]=4 96 B9R1.7 CCCC1=CC=C(O1)C L159743 [1,1,0,0,0,0|0,0,1]=3 97 B9R1.7 CNCC1=CC=C(O1)C CDS003835 [1,1,0,0,0,0|1,0,0]=3 98 B9R1.11 CC(NO)C1=CC=CO1 CVT00078 [1,1,0,0,0,0|1,0,1]=4 99 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [1,1,0,0,0,0|0,0,2]=4 100 B9R1.11 CCC(N)C1=CC=CS1 T326984 [1,1,0,0,0,0|0,1,1]=4 101 B9R1.11 CNC(C)C1=CC=CS1 CBR01263 [1,1,0,0,0,0|1,1,0]=4 102 B9R1.12 C(=O)/C=C/C1=CC=CN1 L166448 [1,1,0,0,0,0|1,0,1]=4 103 B9R1.12 CCCCC1=CC=CO1 CDS001204 [1,1,0,0,0,0|0,0,1]=3 104 B9R1.12 CCCCC1=CC=CS1 CDS001487 [1,1,0,0,0,0|0,1,1]=4 105 B9R1.12 N#CCCC1=CC=CO1 T208493 [1,1,0,0,0,0|0,0,2]=4 106 B9R1.12 NCCCC1=CC=CO1 CBR00236 [1,1,0,0,0,0|0,0,1]=3 107 B9R1.12 S=C=NCC1=CC=CO1 CDS003797 [1,1,0,0,0,0|0,1,1]=4 108 B9R1.33 N(C)CC1=CC=CN1C T316350 [1,1,0,0,0,0|2,0,0]=4 109 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [0,1,0,0,1,0|0,1,0]=3 110 B9R1.35 CC(=O)C1=CN=C(O1)N CBR01750 [0,1,0,0,1,0|1,0,0]=3 111 B9R1.35 CC(=O)C1=CNC(=N1)C PH000026 [0,1,0,0,1,0|2,0,0]=4 112 B9R1.35 CC(=O)C1=CSC(=C1)Cl PHB00060 [0,1,0,0,1,0|2,0,0]=4 113 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [0,1,0,0,1,0|1,0,0]=3 114 B9R1.35 CC1=CC=C(O1)[N+](=O)[O-] R397482 [0,1,0,0,1,0|2,0,0]=4 115 B9R1.35 CC1=NOC(=C1)C(=O)O PH000227 [0,1,0,0,1,0|2,0,0]=4 116 B9R1.35 NC(=O)C1=CC=C(S1)Br CBR00204 [0,1,0,0,1,0|1,1,0]=4 117 B9R1.35 NC1=CSC(=C1)C(=O)O CDS010170 [0,1,0,0,1,0|1,1,0]=4 118 B9R1.35 NC1=NC=C(O1)C(=O)O CDS023546 [0,1,0,0,1,0|2,0,0]=4 119 B9R1.35 O=C(Cl)C1=CC(=CS1)Br CDS013861 [0,1,0,0,1,0|1,1,0]=4 120 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [0,1,0,0,1,0|1,0,0]=3 121 B9R1.41 CC(=O)C1=CNC=C1C L164399 [0,1,0,0,1,0|2,0,0]=4 122 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [0,1,0,0,1,0|2,0,0]=4 123 B9R1.41 CC1=C(ON=C1)C(=O)O CDS012084 [0,1,0,0,1,0|2,0,0]=4 124 B9R1.41 CN1C=CC=C1C(=O)Cl PH016725 [0,1,0,0,1,0|2,0,0]=4 125 B9R1.41 O=C(Cl)C1=C(C=CS1)Br PH010582 [0,1,0,0,1,0|1,1,0]=4 126 B9R1.41 O=C(Cl)C1=C(C=CS1)Cl CDS013694 [0,1,0,0,1,0|1,1,0]=4 127 B9R1.41 O=C(O)C1=C(C=CN1)Cl T266515 [0,1,0,0,1,0|2,0,0]=4 128 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [0,1,0,0,1,0|1,0,0]=3 129 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,1,0,0,0,1|1,0,0]=3 131 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,1,0,0,0,1|1,0,0]=3 132 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [0,1,0,0,0,1|1,0,0]=3 133 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,1,0,0,0,1|2,0,0]=4 134 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,1,0,0,0,1|2,0,0]=4 135 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,1,0,0,0,1|2,0,0]=4 136 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [0,1,0,0,0,1|2,0,0]=4 138 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,1,0,0,0,1|2,0,0]=4 139 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,1,0,0,0,1|2,0,0]=4 140 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,1,0,0,0,1|2,0,0]=4 141 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [0,1,0,0,0,1|2,0,0]=4 142 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,1,0,0,0,1|2,0,0]=4 143 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,1,0,0,0,1|1,0,0]=3 145 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,1,0,0,0,1|2,0,0]=4 146 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [0,1,0,0,0,1|2,0,0]=4 147 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,1,0,0,0,1|2,0,0]=4 148 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,1,0,0,0,1|2,0,0]=4 149 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,1,0,0,0,1|2,0,0]=4 150 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,1,0,0,0,1|2,0,0]=4 151 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,1,0,0,0,1|2,0,0]=4 152 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,1,0,0,0,1|2,0,0]=4 153 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [0,1,0,0,0,1|1,0,0]=3 154 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [0,1,0,0,0,1|1,0,0]=3 155 B11R1.40 COC(=O)C[N+]1=CC=CN=C1 S225894 [0,1,0,0,0,1|2,0,0]=4 156 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,1,0,0,0,1|2,0,0]=4 157 B11R1.40 COC(=O)NC1=CN=CC=C1 R427268 [0,1,0,0,0,1|2,0,0]=4 158 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,1,0,0,0,1|2,0,0]=4 159 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,1,0,0,0,1|2,0,0]=4 160 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,1,0,0,0,1|2,0,0]=4 161 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [0,1,0,0,0,1|1,0,0]=3 162 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,1,0,0,0,1|1,0,0]=3 163 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [0,1,0,0,0,1|1,0,0]=3 164 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [0,1,0,0,0,1|2,0,0]=4 165 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,1,0,0,0,1|2,0,0]=4 166 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [0,1,0,0,0,1|2,0,0]=4 167 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [0,1,0,0,0,1|2,0,0]=4 168 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [0,1,0,0,0,1|2,0,0]=4 169 B11R1.86 CC(=O)NC1=NC=CC=C1Cl T300071 [0,1,0,0,0,1|2,0,0]=4 170 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [0,1,0,0,0,1|2,0,0]=4 171 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,1,0,0,0,1|2,0,0]=4 172 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [0,1,0,0,0,1|2,0,0]=4 173 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,1,0,0,0,1|2,0,0]=4 174 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,1,0,0,0,1|2,0,0]=4 175 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,1,0,0,0,1|2,0,0]=4 176 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,1,0,0,0,1|2,0,0]=4 177 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [0,1,0,0,0,1|2,0,0]=4 178 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,1,0,0,0,1|1,0,0]=3 179 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [0,1,0,0,0,1|1,0,0]=3 180 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,1,0,0,0,1|2,0,0]=4 181 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,1,0,0,0,1|2,0,0]=4 182 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,1,0,0,0,1|2,0,0]=4 183 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [0,1,0,0,0,1|2,0,0]=4 184 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [0,1,0,0,0,1|2,0,0]=4 185 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [0,1,0,0,0,1|2,0,0]=4 186 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [0,1,0,0,0,1|2,0,0]=4 187 B11R1.25 CCC(=O)/C=C/C1=CC=CN1 L167339 [0,1,0,0,0,1|1,0,1]=4 188 B11R1.25 COC(=O)/C=C/C1=CC=CS1 PH011225 [0,1,0,0,0,1|0,1,1]=4 189 B11R1.25 COC(=O)CCC1=CC=CN1 CDS005344 [0,1,0,0,0,1|1,0,0]=3 190 B11R1.25 O=C(CCl)NCC1=CC=CO1 R468177 [0,1,0,0,0,1|0,0,0]=2 191 B11R1.25 O=C(CCl)NCC1=CC=CS1 PH003716 [0,1,0,0,0,1|0,1,0]=3 192 B11R1.25 O=C(CCl)OCC1=CC=CO1 S836451 [0,1,0,0,0,1|0,0,0]=2 193 B11R1.35 O=C(O)C(=S)CC1=CC=CO1 R787000 [0,1,0,0,0,1|1,0,0]=3 194 B11R1.75 CC1=CC=C(O1)/C=C/C(=O)O S136638 [0,1,0,0,0,1|1,0,1]=4 195 B11R1.75 CC1=CC=C(O1)CCC(=O)N T311464 [0,1,0,0,0,1|1,0,0]=3 196 B11R1.75 O=C(O)CCC1=CC(=NO1)Cl CBR00339 [0,1,0,0,0,1|2,0,0]=4 197 B11R1.77 CC(=O)CC(=O)C1=CC=CS1 TMT00516 [0,1,0,0,0,1|0,1,0]=3 198 B11R1.77 NC(CC(=O)O)C1=CC=CO1 PH003730 [0,1,0,0,0,1|1,0,0]=3 199 B11R1.77 NC(CC(=O)O)C1=CC=CS1 PH003731 [0,1,0,0,0,1|1,1,0]=4 200 B11R1.298 CNC(C(=O)O)C1=CC=CS1 CBR00942 [0,2,0,0,0,0|1,1,0]=4 201 B11R1.30 CCOC(=O)CN1C=CC=N1 S945447 [0,2,0,0,0,0|2,0,0]=4 202 B11R1.39 CNC(=O)CC1=CN=C(S1)N CDS023791 [0,2,0,0,0,0|1,1,0]=4 203 B11R1.39 CNC(=O)CC1=CSC(=N1)N CDS023127 [0,2,0,0,0,0|2,0,0]=4 204 B11R1.39 COC(=O)CN1C=C(C=N1)N CDS021209 [0,2,0,0,0,0|2,0,0]=4 205 B11R1.39 NNC(=O)CC1=CC=C(S1)Cl PH007716 [0,2,0,0,0,0|1,1,0]=4 206 B11R1.84 C(=O)/C(=C/C1=CC=CO1)/C#N L306681 [0,2,0,0,0,0|0,0,2]=4 207 B11R1.43 C(=O)C1=CC=C(S1)NC(=O)C L204498 [0,2,0,0,0,0|1,1,0]=4 208 B11R1.76 CC1=CC=C(O1)C[N+](C)(C)C S302872 [0,2,0,0,0,0|2,0,0]=4 209 B11R1.80 CC(=O)NC1=CC(=C(S1)C)C T326445 [0,2,0,0,0,0|1,1,0]=4 210 B11R1.645 CC1=CC(=O)OC1CC(=O)O PH001947 [0,2,0,0,0,0|1,0,1]=4 211 B9R1.50 O=C1C=CC=CC=CC1 T179078 [0,0,1,1,0,0|1,0,1]=4 212 B9R1.50 O=C1CC=CCC=CC1 T179361 [0,0,1,1,0,0|1,0,1]=4 213 B9R1.50 O=C1CC=CCC=CC1 T181854 [0,0,1,1,0,0|1,0,1]=4 214 B9R1.50 O=C1CC=CCCOC1 T168858 [0,0,1,1,0,0|0,0,2]=4 215 B11R2.10 [C@H]12C=CC=C[C@H]1CC(=O)C2 T183474 [0,0,0,1,0,1|1,0,1]=4 216 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [1,0,0,0,0,1|2,0,0]=4 217 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [1,0,0,0,0,1|1,0,1]=4 218 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,0,0,0,0,1|1,0,1]=4 219 B9R1.8 CNCC1=NC=NC=C1 PH017743 [1,0,0,0,0,1|2,0,0]=4 220 B9R1.8 CNCC1=NC=NC=C1 PH019105 [1,0,0,0,0,1|2,0,0]=4 221 B9R1.8 COCC1=CC=CC=N1 S363146 [1,0,0,0,0,1|2,0,0]=4 222 B11R1.91 C1(C=CCC=C1)COC(=O)C T175498 [0,0,0,0,0,2|1,0,1]=4 223 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,0,0,0,0,2|2,0,0]=4 224 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,0,0,0,0,2|2,0,0]=4 225 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,0,0,0,0,2|1,0,0]=3 226 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [0,0,0,0,0,2|1,0,0]=3 227 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [0,0,0,0,0,2|1,0,0]=3 228 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [0,0,0,0,0,2|2,0,0]=4 229 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,0,0,0,0,2|2,0,0]=4 230 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,0,0,0,0,2|2,0,0]=4 231 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [0,0,0,0,0,2|2,0,0]=4 232 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [0,0,0,0,0,2|2,0,0]=4 233 B11R1.91 O=C(O)CCC1=NC=CC=N1 S217417 [0,0,0,0,0,2|2,0,0]=4 234 B11R1.91 O=C(O)CCC1=NC=CN=C1 CDS022931 [0,0,0,0,0,2|2,0,0]=4 235 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [0,0,0,0,0,2|2,0,0]=4 236 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [0,0,0,0,0,2|2,0,0]=4 237 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [0,0,0,0,0,2|2,0,0]=4 238 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [0,0,0,0,0,2|2,0,0]=4 239 B11R1.172 CC(=O)N/N=C/C1=CC=CO1 S592595 [0,0,0,0,0,2|0,0,1]=3 240 B11R1.172 CC(=O)NCCC1=CC=CO1 EME00428 [0,0,0,0,0,2|0,0,0]=2 241 B11R1.172 CC(=O)NCCC1=CN=CN1 R269115 [0,0,0,0,0,2|2,0,0]=4