0 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CC(=O)C1=CN=C(O1)N CBR01750 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC(=O)C1=CNC(=N1)C PH000026 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 CC(=O)C1=CSC(=C1)Cl PHB00060 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.35 CC(O)C1=CSC(=C1)Cl PHB00211 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.35 CC1=CC(=CS1)C(=O)O SYX00379 [0,0,0,0,0,0|0,0,0]=0 6 B9R1.35 CC1=CC=C(O1)B(O)O CDS019945 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.35 CC1=CC=C(O1)[N+](=O)[O-] R397482 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.35 CC1=CNC(=N1)C(=O)O CBR02470 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.35 CC1=CSC(=C1)B(O)O CDS003645 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.35 CC1=CSC(=N1)C(=O)O CDS022513 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.35 CC1=NC(=CN1)C(=S)N CDS014746 [0,0,0,0,0,0|3,1,0]=4 13 B9R1.35 CC1=NC(=CS1)C(C)N CBR00686 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.35 CC1=NC(=NO1)C(=O)O CDS019560 [0,0,0,0,0,0|2,1,0]=3 15 B9R1.35 CC1=NC=C(S1)C(=O)O ANV00256 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.35 CC1=NOC(=C1)C(=O)O PH000227 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.35 CC1=NOC(C1)C(=O)O CBR01505 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.35 CN1C=C(C=N1)B(O)O BML00203 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.35 CN1C=C(C=N1)[N+](=O)[O-] MNO000037 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.35 NC(=O)C1=CC=C(S1)Br CBR00204 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.35 NC(=O)C1=NNC(=C1)N CBR00929 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.35 NC1=CSC(=C1)C(=O)O CDS010170 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.35 NC1=NC(=CS1)C(=O)O CDS003787 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.35 NC1=NC=C(O1)C(=O)O CDS023546 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.35 NC1=NC=C(S1)C(=O)O CDS004559 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.35 NC1=N[C@@H](CS1)C(=O)O PH008387 [0,0,0,0,0,0|2,0,2]=4 27 B9R1.35 O=C(Cl)C1=CC(=CS1)Br CDS013861 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.35 O=C(O)C1=CN=C(S1)Cl CDS005928 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.35 O=C(O)C1=CNC(=N1)O CDS002053 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.35 O=C(O)C1=CSC(=C1)Br CDS013228 [0,0,0,0,0,0|1,0,0]=1 32 B9R1.35 O=C(O)C1=CSC(=N1)Br CDS004762 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.35 O=C(O)C1=CSC(=N1)Br SYX00342 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.35 O=C(O)C1=CSC(=N1)Cl JRD0388 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.35 O=C(O)C1=NNC(=N1)Cl CBR01522 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.35 O=C1NC=C(N1)C(=O)O CBR00002 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.1 C(=O)C1=CN=C(S1)Br CDS004410 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.1 C(=O)C1=CSC(=N1)Cl SYX00410 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.1 CC1=CC(=CS1)CO TMT00554 [1,0,0,0,0,0|0,0,1]=2 40 B8R1.1 CC1=CC(=NO1)CO L482684 [1,0,0,0,0,0|1,1,1]=4 41 B8R1.1 CC1=CN=C(S1)C=O CDS011813 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.1 CC1=NC(=CO1)CO CBR02085 [1,0,0,0,0,0|1,1,1]=4 43 B8R1.1 CC1=NC(=CS1)CN CBR00687 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.1 CC1=NOC(=C1)C=O CDS014208 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.1 O=CC1=CN=C(S1)Cl CDS016382 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.1 O=CC1=CN=C(S1)Cl SYX00395 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.1 OCC1=CSC(=N1)Br SYX00394 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.7 NC(=O)C1=CN=CS1 CDS020516 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.7 NC(=O)C1=CSC=N1 CDS006757 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.7 NC(=S)C1=CSC=C1 CDS001408 [1,0,0,0,0,0|1,1,0]=3 54 B8R1.7 NC(=S)C1=CSC=N1 PH015038 [1,0,0,0,0,0|2,1,0]=4 55 B8R1.7 O=C(O)C1=CC=CO1 S927228 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.7 O=C(O)C1=CC=NN1 CDS005690 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.7 O=C(O)C1=CC=NS1 CDS010046 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.7 O=C(O)C1=CN=CS1 CDS007958 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.7 O=C(O)C1=CN=NN1 CDS001736 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.7 O=C(O)C1=CNN=N1 CDS008829 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.7 O=C(O)C1=CON=C1 CDS009962 [1,0,0,0,0,0|1,1,0]=3 62 B8R1.7 O=C(O)C1=CSN=C1 T312894 [1,0,0,0,0,0|1,0,0]=2 63 B8R1.7 O=C(O)C1=CSN=N1 CDS016592 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.7 O=C(O)C1=NC=CN1 CDS019334 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.7 O=C(O)C1=NON=C1 CDS009561 [1,0,0,0,0,0|2,1,0]=4 66 B8R1.7 O=C(O)C1C=CCO1 CDS025234 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.14 CC1=CC=C(S1)/C(=N\O)/C S755737 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.14 CCC(=O)C1=CC=C(S1)C CBR00320 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.14 COC(=O)C1=CC(=CS1)Br CDS005911 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.14 COC(=O)C1=CC=C(O1)Br S810541 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.14 COC(=O)C1=CN=C(S1)Cl SYX00302 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.14 COC(=O)C1=CN=C(S1)N PH011707 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.14 COC(=O)C1=COC(=N1)Cl SYX00378 [0,1,0,0,0,0|2,1,0]=4 74 B10R1.14 COC(=O)C1=COC(=N1)N SYX00318 [0,1,0,0,0,0|2,1,0]=4 75 B10R1.14 COC(=O)C1=CSC(=N1)C SYX00285 [0,1,0,0,0,0|1,0,0]=2 76 B10R1.14 COC(=O)C1=CSC(=N1)Cl SYX00303 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.14 COC(=O)C1=NOC(=C1)C EME00018 [0,1,0,0,0,0|1,1,0]=3 78 B10R1.31 CC(=O)C1=CC(=CS1)CCl CBR01251 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.31 CCC1=CC=C(O1)C(=O)O CDS002389 [0,1,0,0,0,0|2,0,0]=3 80 B10R1.31 CCC1=CC=C(S1)C(=O)O CDS012603 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.31 CCC1=NC(=CO1)C(=O)O CDS009034 [0,1,0,0,0,0|1,1,0]=3 82 B10R1.31 CCC1=NOC(=C1)C(=O)O CDS009381 [0,1,0,0,0,0|2,0,0]=3 83 B10R1.31 CCC1=NOC(=N1)C(=O)O CDS016583 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.31 CCN1C=C(C=N1)C(=O)O CDS008621 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.31 COC1=NOC(=C1)C(=O)O CDS005261 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.31 CSC1=CC=C(S1)C(=O)O CDS017426 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.31 N#CC1=CNC(=C1)C(=O)O CDS006896 [0,1,0,0,0,0|2,0,1]=4 88 B10R1.31 NCC1=CC=C(S1)C(=O)O PH015546 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.31 O=CC1=CC(=CS1)B(O)O CDS004568 [0,1,0,0,0,0|1,0,2]=4 90 B10R1.31 O=CC1=CC=C(N1)C(=O)O CDS004821 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.31 O=CC1=CC=C(O1)C(=O)O CDS000126 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.58 CC1=C(OC(=C1)C(=O)O)C CDS011379 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.58 O=C(O)C1=CC(=C(S1)Br)Br PH010473 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.59 CC(=O)C1=C(C=C(N1)C)C PH014632 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.59 CC1=C(N=C(S1)Br)C(=O)O CDS023795 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.59 CC1=C(SC(=O)N1)C(=O)O OTV000413 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PH010596 [0,1,0,0,0,0|1,0,0]=2 98 B10R1.59 CC1=CC(=C(O1)C(=O)O)C PH014459 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.59 CC1=CC(=C(O1)C)C(=O)N S825395 [0,1,0,0,0,0|1,1,0]=3 100 B10R1.59 CC1=CC(=C(S1)C)B(O)O BCH00023 [0,1,0,0,0,0|1,0,1]=3 101 B10R1.59 CC1=CC(=C(S1)N)C(=O)N OTV000759 [0,1,0,0,0,0|1,0,0]=2 102 B10R1.59 CC1=CC(=C(S1)N)C(=O)O CBR00110 [0,1,0,0,0,0|0,0,0]=1 103 B10R1.59 CC1=NC(=C(O1)Br)C(=O)O CDS023266 [0,1,0,0,0,0|1,1,0]=3 104 B10R1.59 CC1=NC(=C(O1)C(=O)O)C T324817 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.59 CC1=NC(=C(S1)C)C(=O)O CDS007381 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.59 CC1=NN(C=C1C(=O)O)C CBR00325 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.59 CN1C=C(C(=N1)C(=O)O)Cl L119547 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.59 CN1C=C(C(=N1)C(=O)O)I R432741 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.59 O=C(O)C1=C(C=C(O1)Br)Br S813745 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.194 CC1=C(C(=NO1)C(=O)O)Br CDS022825 [0,1,0,0,0,0|1,1,0]=3 111 B10R1.194 CC1=C(C(=NO1)C(=O)O)C CDS002734 [0,1,0,0,0,0|1,1,0]=3 112 B10R1.194 CC1=C(C=NN1C)C(=O)O CDS015133 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.194 CC1=CC=C(N1C)C(=O)O CBR01594 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.194 CC1=NNC(=C1N)C(=O)N S784079 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.194 CN1N=CC(=C1N)C(=O)N S783048 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.194 O=C(O)C1=NSC(=C1Cl)Cl CDS020735 [0,1,0,0,0,0|2,0,0]=3 117 B8R0.8 CCC/C=C(\C)/C(=O)O CDS000408 [0,0,1,0,0,0|1,0,2]=4 118 B8R0.9 C(=C\C(=O)NC)\C(=O)O R436445 [0,0,1,0,0,0|2,0,1]=4 119 B8R0.9 C(=C\C(=O)NC)\C(=O)O S626813 [0,0,1,0,0,0|2,0,1]=4 120 B8R0.23 C(=C(/Br)\C(=O)O)\C(=O)O S455768 [0,0,1,0,0,0|2,1,0]=4 121 B8R0.23 C/C(=C\C(C)C)/C(=O)O CDS001260 [0,0,1,0,0,0|1,0,2]=4 122 B8R0.23 O=C(O)/C=C(\Cl)/C(=O)O S864625 [0,0,1,0,0,0|2,1,0]=4 123 B8R0.28 CC(=O)/C=C/C=C(C)C CDS001465 [0,0,1,0,0,0|2,0,1]=4 124 B8R0.28 N=C(N)S/C=C\C(=O)O PH006862 [0,0,1,0,0,0|2,0,0]=3 125 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [0,0,0,0,0,1|2,0,0]=3 126 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [0,0,0,0,0,1|3,0,0]=4 127 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [0,0,0,0,0,1|3,0,0]=4 128 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,0,0,0,0,1|3,0,0]=4 129 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [0,0,0,0,0,1|2,0,0]=3 130 B10R1.13 CC1=CC=C(C=N1)B(O)O CDS020001 [0,0,0,0,0,1|2,0,1]=4 131 B10R1.13 CC1=CC=C(C=N1)[N+](=O)[O-] PH010163 [0,0,0,0,0,1|2,0,1]=4 132 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [0,0,0,0,0,1|1,0,0]=2 133 B10R1.13 CC1=CC=C(N=N1)C(=O)O CDS023095 [0,0,0,0,0,1|2,0,0]=3 134 B10R1.13 CC1=CN=C(C=N1)C(=N)N CDS008457 [0,0,0,0,0,1|3,0,0]=4 135 B10R1.13 CC1=NC=C(C=N1)C(=O)O CBR01580 [0,0,0,0,0,1|1,0,0]=2 136 B10R1.13 CC1C=CC(C=C1)C(=O)O T167762 [0,0,0,0,0,1|1,0,2]=4 137 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [0,0,0,0,0,1|2,0,0]=3 138 B10R1.13 N1N=C(C=CC1=O)C(=O)O S909475 [0,0,0,0,0,1|3,0,0]=4 139 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [0,0,0,0,0,1|3,0,0]=4 140 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,0,0,0,0,1|2,0,0]=3 141 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [0,0,0,0,0,1|2,0,1]=4 142 B10R1.13 NC1=NN=C(CS1)C(=O)O SYX00097 [0,0,0,0,0,1|2,0,1]=4 143 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [0,0,0,0,0,1|2,0,0]=3 144 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [0,0,0,0,0,1|2,0,0]=3 145 B10R1.13 O=C(O)C1=CN=C(N=C1)Cl CDS009961 [0,0,0,0,0,1|2,0,0]=3 146 B10R1.13 O=C(O)C1=NN=C(C=C1)Cl CDS020720 [0,0,0,0,0,1|3,0,0]=4 147 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [0,0,0,0,0,1|2,0,1]=4 148 B10R1.13 O=C1C=CC(=NN1)C(=O)O CDS015149 [0,0,0,0,0,1|3,0,0]=4 149 B10R1.54 CC(=O)NC1=NOC(=C1)C T318779 [0,0,0,0,0,1|2,1,0]=4 150 B10R1.54 CC1=CN(N=C1)CC(=O)O CBR02380 [0,0,0,0,0,1|3,0,0]=4 151 B10R1.54 CC1=CN(N=N1)CC(=O)O PH018469 [0,0,0,0,0,1|3,0,0]=4 152 B10R1.54 O=C(O)CC1=CSC(=N1)S L481327 [0,0,0,0,0,1|2,0,0]=3 153 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [0,0,0,0,0,1|3,0,0]=4 154 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [0,0,0,0,0,1|3,0,0]=4 155 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [0,0,0,0,0,1|3,0,0]=4 156 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [0,0,0,0,0,1|2,1,0]=4 157 B10R1.113 CC1=CN=CC(=C1)B(O)O CDS020146 [0,0,0,0,0,1|2,0,1]=4 158 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [0,0,0,0,0,1|2,0,0]=3 159 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [0,0,0,0,0,1|2,0,0]=3 160 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [0,0,0,0,0,1|2,0,0]=3 161 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [0,0,0,0,0,1|3,0,0]=4 162 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [0,0,0,0,0,1|3,0,0]=4 163 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [0,0,0,0,0,1|3,0,0]=4 164 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [0,0,0,0,0,1|3,0,0]=4 165 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [0,0,0,0,0,1|3,0,0]=4 166 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [0,0,0,0,0,1|3,0,0]=4 167 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [0,0,0,0,0,1|3,0,0]=4 168 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [0,0,0,0,0,1|2,0,0]=3 169 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [0,0,0,0,0,1|2,0,0]=3 170 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [0,0,0,0,0,1|2,0,0]=3 171 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [0,0,0,0,0,1|3,0,0]=4 172 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [0,0,0,0,0,1|2,0,0]=3 173 B10R1.113 O=C(O)C1=CC(=NC=N1)O S362735 [0,0,0,0,0,1|2,0,0]=3 174 B10R1.113 O=C(O)C1=C[N+](=CC=N1)[O-] PH009754 [0,0,0,0,0,1|3,0,0]=4 175 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [0,0,0,0,0,1|3,0,0]=4 176 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [0,0,0,0,0,1|2,0,0]=3 177 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [0,0,0,0,0,1|2,0,0]=3 178 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [0,0,0,0,0,1|2,0,0]=3 179 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [0,0,0,0,0,1|2,0,0]=3 180 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [0,0,0,0,0,1|2,0,1]=4 181 B10R1.113 O=C1C=C(C=NN1)C(=O)O CDS022708 [0,0,0,0,0,1|2,0,0]=3 182 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [0,0,0,0,0,1|3,0,0]=4 183 B7R0.4 CCO/C=C/C(=O)O CDS016341 [1,0,1,0,0,0|0,1,1]=4 184 B7R0.4 N#CS/C=C\C(=O)O PH008397 [1,0,1,0,0,0|1,0,1]=4 185 B7R0.5 CO/C=C(\C)/C(=O)O PH008422 [1,0,1,0,0,0|0,1,1]=4 186 B7R0.6 CC(C)/C=C/C(=O)O CDS003369 [1,0,1,0,0,0|0,0,2]=4 187 B7R1.1 BrCC1=CSC=C1 CDS022029 [2,0,0,0,0,0|1,0,1]=4 188 B7R1.1 O=CC1=CC=NN1 CDS003145 [2,0,0,0,0,0|2,0,0]=4 189 B7R1.1 O=CC1=NNC=C1 CDS009918 [2,0,0,0,0,0|2,0,0]=4 190 B7R1.1 O=CC1=NOC=C1 CDS009683 [2,0,0,0,0,0|1,1,0]=4 191 B9R0.13 C/C=C/C=C(\C#N)/C(=O)O PH010529 [0,1,1,0,0,0|1,0,1]=4 192 B9R1.21 CCC1=NC(=CN1)C=O PH017761 [1,1,0,0,0,0|2,0,0]=4 193 B9R1.21 CSC1=CC=C(S1)C=O CDS013663 [1,1,0,0,0,0|2,0,0]=4 194 B9R1.21 N#CC1=CC(=CN1)C=O CBR01512 [1,1,0,0,0,0|1,0,1]=4 195 B9R1.21 N1C(=CC=C1CC)C=O CBR01642 [1,1,0,0,0,0|2,0,0]=4 196 B9R1.22 C(=O)C1=C(NC(=C1)C)C CDS008742 [1,1,0,0,0,0|1,0,0]=3 197 B9R1.22 CC1=NN(C(=C1)C=O)C TMT00498 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.23 C(=O)C1=NN(C(=C1)C)C CDS014622 [1,1,0,0,0,0|2,0,0]=4 199 B9R1.132 CC1=C(C(=CS1)CO)C TMT00539 [1,1,0,0,0,0|0,0,1]=3 200 B9R1.11 COC(=O)C1=NNC=C1 CDS009495 [1,1,0,0,0,0|2,0,0]=4 201 B9R1.11 N/C(=N\O)/C1=CSC=C1 CDS017788 [1,1,0,0,0,0|1,0,0]=3 202 B9R1.19 O[B-](O)(O)C1=CSC=C1 BCH00022 [1,1,0,0,0,0|1,0,1]=4 203 B9R1.41 CC(=O)C1=CNC=C1C L164399 [1,1,0,0,0,0|2,0,0]=4 204 B9R1.41 CC1=C(C=CN1)C(=O)O CBR01791 [1,1,0,0,0,0|1,0,0]=3 205 B9R1.41 CC1=C(C=CS1)C(=O)O PH005181 [1,1,0,0,0,0|0,0,0]=2 206 B9R1.41 CC1=C(N=CS1)C(=O)O CDS007674 [1,1,0,0,0,0|1,0,0]=3 207 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [1,1,0,0,0,0|2,0,0]=4 208 B9R1.41 CC1=C(NC=N1)C(=O)O CDS007137 [1,1,0,0,0,0|2,0,0]=4 209 B9R1.41 CC1=C(ON=C1)C(=O)O CDS012084 [1,1,0,0,0,0|2,0,0]=4 210 B9R1.41 CC1=NSC=C1C(=O)O CVT00118 [1,1,0,0,0,0|1,0,0]=3 211 B9R1.41 NC(=O)C1=C(SC=C1)N CDS007582 [1,1,0,0,0,0|1,0,0]=3 212 B9R1.41 NC1=C(C=NN1)C(=O)O CDS005670 [1,1,0,0,0,0|2,0,0]=4 213 B9R1.41 NC1=NSC=C1C(=O)O CBR02439 [1,1,0,0,0,0|1,0,0]=3 214 B9R1.41 O=C(O)C1=C(C=CN1)Cl T266515 [1,1,0,0,0,0|2,0,0]=4 215 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [1,1,0,0,0,0|2,0,0]=4 216 B9R1.41 O=C(O)C1=C(OC=C1)Cl PH008831 [1,1,0,0,0,0|0,1,0]=3 217 B9R1.41 O=C(O)C1=NNC=C1I R432806 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [0,1,0,0,0,1|2,0,0]=4 219 B11R1.3 CCC1=NC=C(C=N1)C(=O)O CBR00401 [0,1,0,0,0,1|1,0,0]=3 220 B11R1.3 CNC1=NC=C(C=N1)C(=O)O CBR00047 [0,1,0,0,0,1|1,0,0]=3 221 B11R1.3 COC1=CN=C(C=N1)C(=O)O CDS021112 [0,1,0,0,0,1|1,0,0]=3 222 B11R1.3 COC1=NC=C(C=C1)C(=O)O CDS003134 [0,1,0,0,0,1|1,0,0]=3 223 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [0,1,0,0,0,1|2,0,0]=4 224 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr S283436 [0,1,0,0,0,1|2,0,0]=4 225 B11R1.3 O=C(O)C1=CC=C(N=C1)CBr CDS023271 [0,1,0,0,0,1|1,0,0]=3 226 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00049 [0,1,0,0,0,1|2,0,0]=4 227 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00050 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013111 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013337 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013753 [0,1,0,0,0,1|2,0,0]=4 231 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R162280 [0,1,0,0,0,1|2,0,0]=4 232 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R466972 [0,1,0,0,0,1|2,0,0]=4 233 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S430110 [0,1,0,0,0,1|2,0,0]=4 234 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500577 [0,1,0,0,0,1|2,0,0]=4 235 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500623 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S656747 [0,1,0,0,0,1|2,0,0]=4 237 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S822663 [0,1,0,0,0,1|2,0,0]=4 238 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862304 [0,1,0,0,0,1|2,0,0]=4 239 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862495 [0,1,0,0,0,1|2,0,0]=4 240 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862509 [0,1,0,0,0,1|2,0,0]=4 241 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862517 [0,1,0,0,0,1|2,0,0]=4 242 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862541 [0,1,0,0,0,1|2,0,0]=4 243 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862568 [0,1,0,0,0,1|2,0,0]=4 244 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S896683 [0,1,0,0,0,1|2,0,0]=4 245 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181021 [0,1,0,0,0,1|2,0,0]=4 246 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181307 [0,1,0,0,0,1|2,0,0]=4 247 B11R1.19 CC1=CC=C(C=N1)S(=O)(=O)O PH015233 [0,1,0,0,0,1|2,0,0]=4 248 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [0,1,0,0,0,1|2,0,0]=4 249 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [0,1,0,0,0,1|2,0,0]=4 250 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [0,1,0,0,0,1|2,0,0]=4 251 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [0,1,0,0,0,1|2,0,0]=4 252 B11R1.21 CN1C=CC(=CC1=O)C(=O)O CBR00106 [0,1,0,0,0,1|2,0,0]=4 253 B11R1.21 NC1=NC=C(C=C1I)C(=O)O CVT00091 [0,1,0,0,0,1|2,0,0]=4 254 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [0,1,0,0,0,1|2,0,0]=4 255 B11R1.21 O=C(O)C1=CC=C(C(=N1)Br)F CDS023920 [0,1,0,0,0,1|2,0,0]=4 256 B11R1.21 O=C(O)C1=CC=C(C(=N1)Cl)F MNO000118 [0,1,0,0,0,1|2,0,0]=4 257 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [0,1,0,0,0,1|2,0,0]=4 258 B11R1.22 CC1=CC=C(C=C1)C(=O)C#N S34623 [0,1,0,0,0,1|2,0,0]=4 259 B11R1.22 CC1=CC=C(C=N1)C(=O)CCl PH019170 [0,1,0,0,0,1|2,0,0]=4 260 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [0,1,0,0,0,1|2,0,0]=4 261 B11R1.22 COC(=O)C1=CC=C(C=N1)Br CDS003613 [0,1,0,0,0,1|2,0,0]=4 262 B11R1.22 COC(=O)C1=CC=C(C=N1)O CDS005288 [0,1,0,0,0,1|2,0,0]=4 263 B11R1.22 COC(=O)C1=CC=C(N=C1)Br CDS004061 [0,1,0,0,0,1|2,0,0]=4 264 B11R1.22 COC(=O)C1=CN=C(N=C1)N ANV00033 [0,1,0,0,0,1|2,0,0]=4 265 B11R1.22 COC(=O)C1=NC=C(C=N1)C PHB00068 [0,1,0,0,0,1|2,0,0]=4 266 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [0,1,0,0,0,1|1,0,0]=3 267 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)C CDS011445 [0,1,0,0,0,1|1,0,0]=3 268 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)O PH011699 [0,1,0,0,0,1|1,0,0]=3 269 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br CDS022505 [0,1,0,0,0,1|2,0,0]=4 270 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [0,1,0,0,0,1|2,0,0]=4 271 B11R1.166 CC1=CC=C(C(=N1)C)C(=O)O CDS013247 [0,1,0,0,0,1|1,0,0]=3 272 B11R1.166 CC1=NC=C(C(=N1)N)C(=O)N PH016867 [0,1,0,0,0,1|2,0,0]=4 273 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [0,1,0,0,0,1|2,0,0]=4 274 B11R1.166 NC1=CC(=CN=C1C(=O)O)Br ADE000138 [0,1,0,0,0,1|2,0,0]=4 275 B11R1.166 NC1=NC(=O)NC=C1C(=O)O CDS009934 [0,1,0,0,0,1|2,0,0]=4 276 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [0,1,0,0,0,1|2,0,0]=4 277 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [0,1,0,0,0,1|2,0,0]=4 278 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,1,0,0,0,1|2,0,0]=4 279 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Br ADE000582 [0,1,0,0,0,1|2,0,0]=4 280 B11R1.166 O=C(O)C1=CNC(=S)NC1=O PH000413 [0,1,0,0,0,1|2,0,0]=4 281 B11R1.166 O=C(O)C1=NC=C(C=C1F)Br ADE000140 [0,1,0,0,0,1|2,0,0]=4 282 B11R1.645 NC(=O)CC1=C(SC(=C1)Cl)Cl S605026 [0,1,0,0,0,1|2,0,0]=4 283 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [0,1,0,0,0,1|2,0,0]=4 284 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [0,1,0,0,0,1|2,0,0]=4 285 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [0,1,0,0,0,1|2,0,0]=4 286 B11R1.23 COC(=O)C1=CC(=CC=N1)Br CDS014039 [0,1,0,0,0,1|2,0,0]=4 287 B11R1.23 COC(=O)C1=CC(=CC=N1)N CDS021624 [0,1,0,0,0,1|2,0,0]=4 288 B11R1.23 COC(=O)C1=CC(=NC=C1)I ADE000319 [0,1,0,0,0,1|2,0,0]=4 289 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [0,1,0,0,0,1|2,0,0]=4 290 B11R1.23 COC(=O)C1=CN=CC(=C1)C PH016250 [0,1,0,0,0,1|1,0,0]=3 291 B11R1.23 COC(=O)C1=CN=CC(=C1)F CDS020854 [0,1,0,0,0,1|2,0,0]=4 292 B11R1.23 COC(=O)C1=C[N+](=CC=C1)C S385360 [0,1,0,0,0,1|2,0,0]=4 293 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000255 [0,1,0,0,0,1|2,0,0]=4 294 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000348 [0,1,0,0,0,1|2,0,0]=4 295 B11R1.23 COC(=O)[N+]1=CC(=CC=C1)C R434086 [0,1,0,0,0,1|2,0,0]=4 296 B11R1.23 O=C(NO)C1=CC(=CC=C1)Cl PH010173 [0,1,0,0,0,1|2,0,0]=4 297 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CDS000426 [0,1,0,0,0,1|2,0,0]=4 298 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)Br S17907 [0,1,0,0,0,1|1,0,0]=3 299 B11R1.74 CC1=CC(=O)C=C(N1)C(=O)O CBR02144 [0,1,0,0,0,1|2,0,0]=4 300 B11R1.74 CC1=CC(=O)C=C(O1)C(=O)O CBR01516 [0,1,0,0,0,1|2,0,0]=4 301 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O PH011754 [0,1,0,0,0,1|2,0,0]=4 302 B11R1.74 O=C(O)C1=CC(=NC(=C1)F)F CDS001979 [0,1,0,0,0,1|2,0,0]=4 303 B11R1.74 O=C(O)C1=CC(=NC(=N1)S)O S409146 [0,1,0,0,0,1|2,0,0]=4 304 B11R1.74 O=C1C=C(NC(=O)N1)C(=O)O R288055 [0,1,0,0,0,1|2,0,0]=4 305 B11R1.155 CC1=CC(=CC=C1)P(=O)(O)O S915750 [0,1,0,0,0,1|2,0,0]=4 306 B11R1.155 CC1=CC(=NC=C1)S(=O)(=O)O PH015082 [0,1,0,0,0,1|2,0,0]=4 307 B11R1.155 CC1=NC=CC(=C1)S(=O)(=O)O PH015380 [0,1,0,0,0,1|2,0,0]=4 308 B11R1.159 CC1=C(C=CC=C1C(=O)O)O PH005167 [0,1,0,0,0,1|2,0,0]=4 309 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [0,1,0,0,0,1|2,0,0]=4 310 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [0,1,0,0,0,1|2,0,0]=4 311 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [0,1,0,0,0,1|1,0,0]=3 312 B11R1.159 CC1=[N+](C(=CC=C1)C(=O)O)[O-] PH008188 [0,1,0,0,0,1|2,0,0]=4 313 B11R1.159 CN1C=CC=C(C1=O)C(=O)O CDS019650 [0,1,0,0,0,1|2,0,0]=4 314 B11R1.159 NC1=C(C=CC=C1Br)C(=O)O CDS004818 [0,1,0,0,0,1|2,0,0]=4 315 B11R1.159 NC1=C(C=CC=C1F)C(=O)O CDS000074 [0,1,0,0,0,1|2,0,0]=4 316 B11R1.159 NC1=C(C=CC=C1O)C(=O)O CDS000116 [0,1,0,0,0,1|2,0,0]=4 317 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)F CDS021224 [0,1,0,0,0,1|2,0,0]=4 318 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)I ADE000327 [0,1,0,0,0,1|2,0,0]=4 319 B11R1.159 O=C(O)C1=C(C(=NC=C1)Cl)O PH015440 [0,1,0,0,0,1|2,0,0]=4 320 B11R1.159 O=C(O)C1=CC=CC(=C1Br)F CDS002241 [0,1,0,0,0,1|2,0,0]=4 321 B11R1.159 O=C(O)C1=NC=NC(=C1Cl)Cl CDS021401 [0,1,0,0,0,1|2,0,0]=4 322 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)C ADE000737 [0,1,0,0,0,1|2,0,0]=4 323 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [0,1,0,0,0,1|2,0,0]=4 324 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [0,1,0,0,0,1|2,0,0]=4 325 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [0,1,0,0,0,1|1,0,0]=3 326 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)Cl ADE000743 [0,1,0,0,0,1|1,0,0]=3 327 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)N ADE000740 [0,1,0,0,0,1|1,0,0]=3 328 B11R1.167 CC1=NC(=C(C=C1)F)C(=O)O CDS024247 [0,1,0,0,0,1|2,0,0]=4 329 B11R1.167 CC1=NNC(=O)C(=C1)C(=O)O CDS005993 [0,1,0,0,0,1|1,0,0]=3 330 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [0,1,0,0,0,1|2,0,0]=4 331 B11R1.167 NC1=C(C=C(C=N1)I)C(=O)O CVT00041 [0,1,0,0,0,1|2,0,0]=4 332 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [0,1,0,0,0,1|2,0,0]=4 333 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [0,1,0,0,0,1|2,0,0]=4 334 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [0,1,0,0,0,1|2,0,0]=4 335 B11R1.167 NC1=CN=C(C=C1C(=O)O)Cl CDS012312 [0,1,0,0,0,1|2,0,0]=4 336 B11R1.167 NC1=CN=C(C=C1C(=O)O)F PH016197 [0,1,0,0,0,1|2,0,0]=4 337 B11R1.167 O=C(O)C1=CC(=CN=C1Br)Cl CDS023033 [0,1,0,0,0,1|2,0,0]=4 338 B11R1.167 O=C(O)C1=CC(=CN=C1Cl)Cl ADE000187 [0,1,0,0,0,1|2,0,0]=4 339 B11R1.167 O=C(O)C1=CC(=CN=C1O)Br CDS003972 [0,1,0,0,0,1|2,0,0]=4 340 B11R1.167 O=C(O)C1=CC(=NC=C1F)Cl CDS022137 [0,1,0,0,0,1|2,0,0]=4 341 B11R1.266 COC1=CC(=NC=C1)C(=O)N ADE000336 [0,1,0,0,0,1|2,0,0]=4 342 B11R1.266 COC1=CC(=NC=C1)C(=O)O ADE000258 [0,1,0,0,0,1|1,0,0]=3 343 B11R1.266 COC1=CN=CC(=C1)C(=O)C ADE000464 [0,1,0,0,0,1|2,0,0]=4 344 B11R1.266 N#CC1=CC(=CC=N1)C(=O)O CDS017472 [0,1,0,0,0,1|1,0,1]=4 345 B11R1.266 N#CC1=CC=NC(=C1)C(=O)O CDS015447 [0,1,0,0,0,1|1,0,1]=4 346 B11R1.266 NNC1=CC(=CC=C1)C(=O)O CDS001221 [0,1,0,0,0,1|2,0,0]=4 347 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr OTV000175 [0,1,0,0,0,1|1,0,0]=3 348 B11R1.266 O=C(O)C1=CC=CC(=C1)[Hg]Cl S881821 [0,1,0,0,0,1|2,0,0]=4 349 B11R1.15 CCOC(=O)C1=CN=C(S1)C SYX00356 [0,2,0,0,0,0|2,0,0]=4 350 B11R1.15 CCOC(=O)C1=CSC(=N1)Cl JRD0389 [0,2,0,0,0,0|2,0,0]=4 351 B11R1.44 COC(=O)C1=COC(=N1)CCl PH000456 [0,2,0,0,0,0|1,1,0]=4 352 B11R1.44 COC(=O)C1=CSC(=N1)CCl PH015429 [0,2,0,0,0,0|1,0,0]=3 353 B11R1.225 COC(=O)C1=C(SC(=C1)C)N CBR01148 [0,2,0,0,0,0|0,0,0]=2 354 B11R1.225 COC(=O)C1=C(SC(=N1)Br)Br SYX00358 [0,2,0,0,0,0|2,0,0]=4 355 B11R1.225 COC(=O)C1=C(SC(=N1)Br)C SYX00223 [0,2,0,0,0,0|2,0,0]=4 356 B11R1.225 COC(=O)C1=C(SC(=N1)Br)Cl SYX00372 [0,2,0,0,0,0|2,0,0]=4 357 B11R1.225 COC(=O)C1=C(SC(=N1)N)C SYX00154 [0,2,0,0,0,0|2,0,0]=4 358 B11R1.225 COC(=O)C1=C(SC(=N1)N)Cl SYX00332 [0,2,0,0,0,0|2,0,0]=4 359 B11R1.865 COC(=O)C1=C(C(=NN1)C)Br JRD0210 [0,2,0,0,0,0|2,0,0]=4 360 B11R1.865 COC(=O)C1=C(C(=NO1)C)N CVT00140 [0,2,0,0,0,0|2,0,0]=4 361 B11R1.865 COC(=O)C1=NOC(=C1Br)C CBR01808 [0,2,0,0,0,0|1,1,0]=4 362 B11R1.48 CC1=C(SC(=C1)C(=O)O)C=O CDS024093 [0,2,0,0,0,0|2,0,0]=4 363 B11R1.50 CC1=C(C=C(O1)CO)C(=O)O CDS012935 [0,2,0,0,0,0|0,1,0]=3 364 B11R1.50 CC1=C(SC(=N1)CN)C(=O)O CDS024264 [0,2,0,0,0,0|2,0,0]=4 365 B11R1.50 CCC1=CC(=C(S1)N)C(=O)N OTV000758 [0,2,0,0,0,0|1,0,0]=3 366 B11R1.50 CCC1=NC(=C(O1)C(=O)O)C CBR01098 [0,2,0,0,0,0|2,0,0]=4 367 B11R1.50 CCC1=NC(=C(S1)C(=O)O)C CBR00267 [0,2,0,0,0,0|2,0,0]=4 368 B11R1.50 COC1=NC(=C(S1)C(=O)O)C CDS009327 [0,2,0,0,0,0|2,0,0]=4 369 B11R1.124 CCCC1=CC(=NO1)C(=O)O CBR00355 [0,2,0,0,0,0|1,1,0]=4 370 B11R1.124 CCCC1=NC(=CS1)C(=O)O CBR00412 [0,2,0,0,0,0|1,0,0]=3 371 B11R1.124 CCCC1=NC=C(S1)C(=O)O PH010792 [0,2,0,0,0,0|2,0,0]=4 372 B11R1.124 CCCC1=NNC(=C1)C(=O)O CBR00431 [0,2,0,0,0,0|2,0,0]=4 373 B11R1.124 CCSC1=CC=C(S1)C(=O)O CDS006005 [0,2,0,0,0,0|2,0,0]=4 374 B11R1.124 COCC1=CC=C(S1)C(=O)O T312819 [0,2,0,0,0,0|2,0,0]=4 375 B11R1.124 CSCC1=CC=C(O1)C(=O)O CDS004925 [0,2,0,0,0,0|2,0,0]=4 376 B11R1.175 CC(=O)C1=CC=C(O1)C(=O)O PH008438 [0,2,0,0,0,0|2,0,0]=4 377 B11R1.175 CC(C)N1C=C(C=N1)C(=O)O CBR00220 [0,2,0,0,0,0|2,0,0]=4 378 B11R1.175 O=C(O)C1=CSC(=C1)[N+](=O)[O-] CDS014514 [0,2,0,0,0,0|1,0,0]=3 379 B11R1.473 CCC1=NNC(=C1C)C(=O)O CBR00040 [0,2,0,0,0,0|2,0,0]=4 380 B11R1.646 CC1=CC(=C(S1)C)S(=O)(=O)[O-] S798843 [0,2,0,0,0,0|1,0,1]=4 381 B11R1.673 CC(=O)C1=C(NC(=C1C)C)C PH008921 [0,2,0,0,0,0|2,0,0]=4 382 B11R1.673 CC1=C(C(=C(N1)C)C(=O)O)C PH014755 [0,2,0,0,0,0|1,0,0]=3 383 B11R1.673 CC1=NN(C(=C1C(=O)O)C)C S940313 [0,2,0,0,0,0|2,0,0]=4 384 B11R1.64 COC1=C(SC=C1C(=O)O)Cl CDS015144 [0,2,0,0,0,0|1,0,0]=3 385 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [0,0,1,1,0,0|2,0,0]=4 386 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [1,0,0,0,0,1|2,0,0]=4 387 B9R1.2 CC1=CC(=CC=N1)CO L499730 [1,0,0,0,0,1|1,0,1]=4 388 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [1,0,0,0,0,1|1,0,0]=3 389 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [1,0,0,0,0,1|2,0,0]=4 390 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [1,0,0,0,0,1|2,0,0]=4 391 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [1,0,0,0,0,1|2,0,0]=4 392 B9R1.13 CC(=O)NC1=CSC=C1 S943886 [1,0,0,0,0,1|1,0,0]=3 393 B9R1.13 O=C(O)CC1=CNC=C1 CDS023068 [1,0,0,0,0,1|1,0,0]=3 394 B9R1.13 O=C(O)CC1=CSC=N1 CDS019681 [1,0,0,0,0,1|1,0,0]=3 395 B9R1.13 O=C(O)CC1=CSC=N1 OTV000637 [1,0,0,0,0,1|1,0,0]=3 396 B9R1.13 O=C(O)CN1C=CN=C1 CDS000415 [1,0,0,0,0,1|2,0,0]=4 397 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [0,0,0,0,0,2|2,0,0]=4 398 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [0,0,0,0,0,2|2,0,0]=4 399 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,0,0,0,0,2|2,0,0]=4 400 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,0,0,0,0,2|2,0,0]=4 401 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,0,0,0,0,2|2,0,0]=4 402 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,0,0,0,0,2|2,0,0]=4 403 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [0,0,0,0,0,2|1,0,0]=3 404 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [0,0,0,0,0,2|2,0,0]=4 405 B11R1.75 CC1=CC=C(O1)/C=C/C(=O)O S136638 [0,0,0,0,0,2|2,0,0]=4 406 B11R1.75 CN1C=C(C=N1)CCC(=O)O T312622 [0,0,0,0,0,2|2,0,0]=4 407 B11R1.75 NC1=NC(=CS1)CCC(=O)O CBR00812 [0,0,0,0,0,2|2,0,0]=4 408 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,0,0,0,0,2|2,0,0]=4 409 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [0,0,0,0,0,2|2,0,0]=4 410 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,0,0,0,0,2|2,0,0]=4