0 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.35 CC(=O)C1=CSC(Br)=C1 25953 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC(=O)C1=CSC(C)=N1 A12305 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC(=O)C1=CSC(Cl)=C1 37629 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 CC(=O)C1=NC(C)=CO1 36487 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 CC(=O)C1=NC=C(Br)S1 P10802 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 CC(=O)C1=NC=C(C)S1 78720 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 CC(=O)C1=NC=C(Cl)S1 P10801 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 CC(=O)C1=NNC(C)=C1 Y10230 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.35 CC(=O)C1=NOC(C)=C1 72215 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.35 CC(=O)C1=NOC(N)=C1 88477 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.35 CC1=CC(C(=O)O)=NS1 AT21128 [0,0,0,0,0,0|1,0,0]=1 13 B9R1.35 CC1=CN=C(C(=O)[O-])O1 P15538 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.35 CC1=CNC(C(=O)O)=N1 C16255 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.35 CC1=CNC(C(=O)O)=N1 Y11423 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.35 CC1=NC(C(N)=O)=CO1 D72598 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.35 CC1=NC(C(N)=O)=CS1 F19208 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.35 CC1=NC=C(C(=O)O)O1 F13461 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.35 CC1=NN=C(C(=O)O)S1 I11693 [0,0,0,0,0,0|1,0,1]=2 20 B9R1.35 CC1=NN=C(C(=O)[O-])S1 I10757 [0,0,0,0,0,0|1,0,2]=3 21 B9R1.35 CC1=NOC(C(=O)[O-])=N1 80103 [0,0,0,0,0,0|2,0,2]=4 22 B9R1.35 CN1C=C([N+](=O)[O-])N=N1 39465 [0,0,0,0,0,0|2,0,2]=4 23 B9R1.35 CN1C=CC(C(=O)O)=C1 26121 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.35 CN1C=NC(C(=O)O)=N1 72561 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.35 NC(=O)C1=CC(Br)=CN1 C73743 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.35 NC(=O)C1=CC(Br)=CO1 C77306 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.35 NC(=O)C1=NN=C(Cl)S1 72503 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.35 NC(=O)C1=NNC(N)=N1 C13657 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.35 NC1=CNC(C(=O)O)=C1 F14489 [0,0,0,0,0,0|2,0,1]=3 30 B9R1.35 NC1=CNC(C(=O)O)=N1 D94530 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.35 NC1=NC(C(=O)O)=CN1 F14481 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.35 NC1=NC(C(=O)O)=CO1 38367 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.35 O=C(O)C1=CC(Br)=CO1 25418 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.35 O=C(O)C1=CC(Br)=NN1 D80317 [0,0,0,0,0,0|1,0,2]=3 35 B9R1.35 O=C(O)C1=CC(Br)=NO1 69280 [0,0,0,0,0,0|2,0,1]=3 36 B9R1.35 O=C(O)C1=CC(Cl)=CS1 24303 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.35 O=C(O)C1=CC(F)=CS1 C10503 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.35 O=C(O)C1=CC(I)=CN1 86089 [0,0,0,0,0,0|2,0,1]=3 39 B9R1.35 O=C(O)C1=CC=C(F)S1 83084 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.35 O=C(O)C1=CC=C(I)S1 C75812 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.35 O=C(O)C1=CNC(Cl)=C1 72647 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.35 O=C(O)C1=COC(Cl)=N1 Y10043 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.35 O=C(O)C1=COC(I)=N1 D95450 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.35 O=C(O)C1=CSC(Cl)=C1 24618 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.35 O=C(O)C1=NC=C(Br)S1 FD9045 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.35 O=C(O)C1=NC=C(Cl)S1 P10902 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.35 O=C(O)C1=NNC(Cl)=C1 20415 [0,0,0,0,0,0|1,0,0]=1 48 B9R1.35 O=C(O)C1=NNC(O)=C1 C77021 [0,0,0,0,0,0|1,0,0]=1 49 B9R1.35 O=C(O)C1=NOC(Cl)=C1 D80865 [0,0,0,0,0,0|2,0,0]=2 50 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P11664 [0,0,0,0,0,0|2,0,2]=4 51 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 W16754 [0,0,0,0,0,0|3,0,1]=4 52 B8R1.1 CC1=CC(C#N)=NN1 25520 [1,0,0,0,0,0|1,0,1]=3 53 B8R1.1 CC1=CC(C=O)=CS1 P15425 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.1 CC1=CC(CBr)=NO1 F30090 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.1 CC1=CC(CCl)=NO1 71171 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.1 CC1=CC=C(C=O)N1 29847 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.1 CC1=CN=C(C=O)S1 25174 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.1 CC1=CN=C(CO)N1 P16461 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.1 CC1=CN=C(CO)S1 C73831 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.1 CC1=CNC(C=O)=C1 D84258 [1,0,0,0,0,0|1,0,1]=3 61 B8R1.1 CC1=CNC(C=O)=N1 23109 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.1 CC1=COC(C=O)=N1 P10997 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.1 CC1=NC(C=O)=NO1 F13848 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.1 CC1=NC(CO)=CN1 22905 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.1 CC1=NC=C(C=O)O1 C10143 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.1 CC1=NN=C(C=O)N1 AC2083 [1,0,0,0,0,0|1,0,1]=3 67 B8R1.1 CC1=NN=C(C=O)S1 Y10085 [1,0,0,0,0,0|1,0,1]=3 68 B8R1.1 CC1=NN=C(CO)S1 F13044 [1,0,0,0,0,0|1,0,2]=4 69 B8R1.1 CC1=NNC(CO)=C1 71135 [1,0,0,0,0,0|0,0,3]=4 70 B8R1.1 CN1C=CC(C=O)=C1 AT16322 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.1 CN1C=NC(C=O)=N1 D82935 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.1 CN1N=NC(C=O)=N1 AC1629 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.1 CNC1=NOC(C)=C1 AT19776 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.1 CSC1=NNC(N)=C1 75644 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.1 N#CC1=NNC(N)=C1 37878 [1,0,0,0,0,0|2,0,1]=4 76 B8R1.1 NC1=NC(CO)=NN1 52868 [1,0,0,0,0,0|2,0,1]=4 77 B8R1.1 O=CC1=CC(Br)=NO1 69281 [1,0,0,0,0,0|2,0,1]=4 78 B8R1.1 O=CC1=CC(I)=CS1 Y10451 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.1 O=CC1=CNC(Br)=C1 F13792 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.1 O=CC1=CSC(Br)=C1 P10686 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.1 O=CC1=CSC(Cl)=C1 37628 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.1 O=CC1=NC=C(Cl)S1 38230 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.1 O=CC1=NN=C(Cl)S1 Y11504 [1,0,0,0,0,0|2,0,1]=4 84 B8R1.1 OCC1=NNC(Br)=C1 P17372 [1,0,0,0,0,0|1,0,1]=3 85 B8R1.7 CC(=O)C1=CC=NO1 I11392 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [1,0,0,0,0,0|2,0,1]=4 87 B8R1.7 CC(=O)C1=CC=NS1 62850 [1,0,0,0,0,0|2,0,1]=4 88 B8R1.7 CC(=O)C1=CNN=C1 50308 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.7 CC(=O)C1=NC=CO1 33464 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.7 CC(=O)C1=NOC=C1 33729 [1,0,0,0,0,0|2,0,0]=3 91 B8R1.7 C[C@H](N)C1=NNC=C1 AT26928 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.7 C[C@H](N)C1=NNC=C1 C90952 [1,0,0,0,0,0|2,0,1]=4 93 B8R1.7 C[C@H](N)C1=NNC=C1 W11012 [1,0,0,0,0,0|2,0,1]=4 94 B8R1.7 C[C@H](O)C1=NNC=C1 AT15828 [1,0,0,0,0,0|1,0,1]=3 95 B8R1.7 FC(F)C1=NNC=C1 AT15834 [1,0,0,0,0,0|2,0,1]=4 96 B8R1.7 NC(=O)C1=CC=NO1 F30843 [1,0,0,0,0,0|2,0,1]=4 97 B8R1.7 NC(=O)C1=COC=N1 35847 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.7 NC(=O)C1=NC=CS1 A10602 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.7 NC(=O)C1=NSC=C1 F14137 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.7 O=C(Cl)N1C=CC=N1 72878 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.7 O=C(O)C1=CN=NN1 28556 [1,0,0,0,0,0|1,0,2]=4 102 B8R1.7 O=C(O)C1=CSN=C1 83094 [1,0,0,0,0,0|2,0,1]=4 103 B8R1.7 O=C(O)C1=NN=NN1 F19598 [1,0,0,0,0,0|2,0,1]=4 104 B8R1.7 O=C(O)C1=NNN=C1 O10789 [1,0,0,0,0,0|1,0,0]=2 105 B8R1.7 O=C(O)C1=NOC=N1 AC6968 [1,0,0,0,0,0|2,0,0]=3 106 B8R1.7 O=C(O)C1=NSC=C1 83207 [1,0,0,0,0,0|1,0,0]=2 107 B8R1.7 O=C(O)C1=NSN=C1 F16493 [1,0,0,0,0,0|2,0,0]=3 108 B8R1.7 O=[N+]([O-])C1=CNC=C1 29669 [1,0,0,0,0,0|2,0,1]=4 109 B8R1.7 O=[N+]([O-])C1=NNN=C1 P20596 [1,0,0,0,0,0|2,0,1]=4 110 B8R1.7 OB(O)C1=NNC=C1 C72260 [1,0,0,0,0,0|1,0,1]=3 111 B10R1.14 CC1=NOC(C(=O)CBr)=C1 O10667 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.14 CNC(=O)C1=NOC(C)=C1 C11165 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.14 COC(=O)C1=CC(=O)CC1 24403 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.14 COC(=O)C1=CC(Br)=NO1 69278 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.14 COC(=O)C1=CC(C)=CN1 F53538 [0,1,0,0,0,0|1,0,1]=3 116 B10R1.14 COC(=O)C1=CC(C)=NO1 W10289 [0,1,0,0,0,0|1,0,1]=3 117 B10R1.14 COC(=O)C1=CC(Cl)=CS1 P12968 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.14 COC(=O)C1=CC(F)=CN1 68046 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.14 COC(=O)C1=CC(F)=CS1 F21319 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.14 COC(=O)C1=CC(I)=CN1 80242 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.14 COC(=O)C1=CC(O)=NN1 F30450 [0,1,0,0,0,0|1,0,2]=4 122 B10R1.14 COC(=O)C1=CN(C)C=C1 W18273 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.14 COC(=O)C1=CN(C)N=C1 F17310 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.14 COC(=O)C1=CN(C)N=N1 30681 [0,1,0,0,0,0|1,0,1]=3 125 B10R1.14 COC(=O)C1=CNC(=O)N1 32398 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.14 COC(=O)C1=CNC(Br)=C1 30522 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.14 COC(=O)C1=CNC(C)=N1 C77526 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.14 COC(=O)C1=COC(C)=C1 C15656 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.14 COC(=O)C1=CSC(N)=C1 W15215 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.14 COC(=O)C1=NC(C)=NO1 W16221 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.14 COC(=O)C1=NC(C)=NS1 72369 [0,1,0,0,0,0|2,0,1]=4 132 B10R1.14 COC(=O)C1=NC=C(Br)S1 P11750 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.14 COC(=O)C1=NC=C(C)S1 25239 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.14 COC(=O)C1=NC=C(N)N1 D80282 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.14 COC(=O)C1=NN(C)C=N1 26857 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.14 COC(=O)C1=NNC(Cl)=C1 P15511 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.14 COC(=O)C1=NNC(N)=C1 69262 [0,1,0,0,0,0|1,0,0]=2 138 B10R1.14 COC(=O)C1=NNC(O)=C1 64189 [0,1,0,0,0,0|1,0,0]=2 139 B10R1.14 COC(=O)C1=NOC(C)=N1 C90423 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.14 COC(=O)C1=NOC(N)=C1 88479 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.14 COC(=O)C1=NSC(N)=C1 D97206 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.31 CCC1=CC(C(=O)O)=NN1 79051 [0,1,0,0,0,0|0,0,0]=1 143 B10R1.31 CCC1=NC(C(=O)O)=CS1 69872 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.31 CCC1=NC(C(=O)O)=CS1 C73183 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.31 CCN1C=C(C(=O)O)C=N1 30841 [0,1,0,0,0,0|2,0,1]=4 146 B10R1.31 CCN1C=NC(C(=O)O)=C1 AT15392 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.31 COC1=CC=C(C(=O)O)S1 31392 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.31 COC1=CN=C(C(=O)O)O1 C75184 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.31 COC1=NOC(C(C)=O)=C1 98350 [0,1,0,0,0,0|2,0,1]=4 150 B10R1.31 N#CC1=COC(C(=O)O)=C1 C72484 [0,1,0,0,0,0|2,0,1]=4 151 B10R1.31 N#CC1=CSC(C(=O)O)=C1 76094 [0,1,0,0,0,0|2,0,1]=4 152 B10R1.31 NC(=O)C1=NNC(CO)=C1 F20188 [0,1,0,0,0,0|1,0,0]=2 153 B10R1.31 O=C(O)C1=CC(CO)=NN1 C72595 [0,1,0,0,0,0|0,0,2]=3 154 B10R1.31 O=C(O)C1=CSC(CO)=N1 W17565 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.31 O=CC1=CC(C(=O)O)=CO1 AT17491 [0,1,0,0,0,0|2,0,1]=4 156 B10R1.31 O=[N+]([O-])C1=NNC(CO)=C1 P19078 [0,1,0,0,0,0|1,0,1]=3 157 B10R1.55 CC1=CC(C(C)(C)C)=NN1 F13489 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 O10304 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 36278 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.58 CC1=C(Br)SC(C(=O)O)=N1 F13815 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.58 CC1=C(C)NC(C(=O)O)=C1 F30544 [0,1,0,0,0,0|1,0,1]=3 162 B10R1.58 CC1=CC(C(=O)O)=CN1C 72960 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.58 CN1N=C(C(=O)O)C=C1Br 80200 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.58 CN1N=C(C(=O)O)C=C1Cl 80334 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.58 CN1N=C(C(=O)O)C=C1N 38065 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.58 O=C(O)C1=CC(Br)=C(Cl)S1 C16067 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.58 O=C(O)C1=CC(Cl)=C(Br)S1 C71923 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)N1 W17455 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.58 O=C(O)C1=NC(Cl)=C(Cl)N1 96262 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.59 CC(=O)C1=CC(C)=NN1C 25727 [0,1,0,0,0,0|1,0,2]=4 171 B10R1.59 CC1=C(C(=O)O)C=C(Br)S1 W11336 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.59 CC1=CC(Br)=C(C(=O)O)S1 D95614 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 F16072 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 F52431 [0,1,0,0,0,0|1,0,0]=2 175 B10R1.59 CC1=CC(C(N)=O)=C(N)S1 C75414 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 61000 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.59 CC1=NC(C(=O)O)=C(N)S1 C11013 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.59 CN1C=C(Br)C=C1C(=O)O 26615 [0,1,0,0,0,0|2,0,1]=4 179 B10R1.59 CN1C=C(C(=O)O)C(Br)=N1 F52238 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.59 CN1C=C(C(=O)O)C(I)=N1 D71949 [0,1,0,0,0,0|2,0,1]=4 181 B10R1.59 CN1C=C(C(=O)O)C(N)=N1 54034 [0,1,0,0,0,0|2,0,1]=4 182 B10R1.59 CN1C=C(F)C=C1C(=O)O 73060 [0,1,0,0,0,0|2,0,1]=4 183 B10R1.59 CN1C=C(N)C=C1C(=O)O 84211 [0,1,0,0,0,0|2,0,1]=4 184 B10R1.59 CN1N=C(Br)C=C1C(=O)O C77500 [0,1,0,0,0,0|1,0,2]=4 185 B10R1.59 CN1N=C(Cl)C=C1C(=O)O 66055 [0,1,0,0,0,0|1,0,2]=4 186 B10R1.59 O=C(O)C1=C(Cl)SC(Br)=C1 C10404 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.194 CC(=O)C1=CNC(Br)=C1C S10057 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.194 CC1=C(Br)C(C(N)=O)=NN1 80335 [0,1,0,0,0,0|1,0,0]=2 189 B10R1.194 CC1=C(C(=O)O)C=NN1C 35139 [0,1,0,0,0,0|2,0,1]=4 190 B10R1.194 CC1=C(C(=O)O)N=CN1C C76569 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.194 CC1=C(C(=O)O)NN=C1Br O10964 [0,1,0,0,0,0|1,0,2]=4 192 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 71336 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.194 CC1=CC=C(C(=O)O)N1C D83409 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.194 CC1=CSC(C(=O)O)=C1C C77023 [0,1,0,0,0,0|2,0,0]=3 195 B10R1.194 CC1=NC=C(C(=O)O)N1C F11120 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.194 CC1=NNC(C(=O)O)=C1C 26230 [0,1,0,0,0,0|0,0,2]=3 197 B10R1.194 CC1=NNC(C(=O)O)=C1Cl W19203 [0,1,0,0,0,0|0,0,2]=3 198 B10R1.194 CC1=NNC(C(=O)O)=C1N 76005 [0,1,0,0,0,0|0,0,2]=3 199 B10R1.194 CC1=NSC(C(=O)O)=C1N 76006 [0,1,0,0,0,0|1,0,1]=3 200 B10R1.194 CN1C=NC(C(N)=O)=C1N 88954 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.194 CN1N=CC(C(=O)O)=C1Br AT10392 [0,1,0,0,0,0|2,0,1]=4 202 B10R1.194 NC1=NNC(C(=O)O)=C1Br I10724 [0,1,0,0,0,0|1,0,2]=4 203 B8R0.9 CCC(C)=CCC(=O)O C75612 [0,0,1,0,0,0|2,0,1]=4 204 B10R2.14 CC1=CC(C2CC2)=NN1 A11992 [0,0,0,1,0,0|2,0,1]=4 205 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P10146 [0,0,0,0,1,0|1,0,2]=4 206 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P11831 [0,0,0,0,1,0|1,0,2]=4 207 B8R1.31 CC1NCC1C(=O)O P14366 [0,0,0,0,1,0|1,0,2]=4 208 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 38376 [0,0,0,0,0,1|3,0,0]=4 209 B10R1.13 CC(=O)C1=NC=C(C)C=N1 79366 [0,0,0,0,0,1|2,0,0]=3 210 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [0,0,0,0,0,1|2,0,0]=3 211 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [0,0,0,0,0,1|3,0,0]=4 212 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [0,0,0,0,0,1|3,0,0]=4 213 B10R1.13 CC(=O)C1=NC=C(O)N=C1 C71512 [0,0,0,0,0,1|3,0,0]=4 214 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 P10979 [0,0,0,0,0,1|2,0,1]=4 215 B10R1.13 CC1=CCC(C(=O)O)=CC1 A12608 [0,0,0,0,0,1|2,0,0]=3 216 B10R1.13 CC1=CC[C@@H](C(=O)O)CC1 71380 [0,0,0,0,0,1|2,0,1]=4 217 B10R1.13 CC1=CN=C(C(=O)O)N=C1 RB3298 [0,0,0,0,0,1|1,0,0]=2 218 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [0,0,0,0,0,1|2,0,1]=4 219 B10R1.13 C[C@@H]1CC=C(C(=O)O)CC1 D79048 [0,0,0,0,0,1|2,0,1]=4 220 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [0,0,0,0,0,1|3,0,0]=4 221 B10R1.13 NC(=O)C1=NC=C(N)C=N1 30495 [0,0,0,0,0,1|3,0,0]=4 222 B10R1.13 NC(=O)C1=NC=C(N)N=C1 W17933 [0,0,0,0,0,1|3,0,0]=4 223 B10R1.13 NC1=CN=C(C(=O)O)N=C1 P10377 [0,0,0,0,0,1|2,0,0]=3 224 B10R1.13 O=C(O)C1=CN=C(Br)N=C1 F11671 [0,0,0,0,0,1|2,0,1]=4 225 B10R1.13 O=C(O)C1=CN=C(F)C=N1 70428 [0,0,0,0,0,1|2,0,0]=3 226 B10R1.13 O=C(O)C1=NC=C(F)C=N1 38641 [0,0,0,0,0,1|2,0,0]=3 227 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [0,0,0,0,0,1|2,0,0]=3 228 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 P10335 [0,0,0,0,0,1|1,0,1]=3 229 B10R1.13 O=C(O)C1=NN=C(O)C=C1 C73877 [0,0,0,0,0,1|1,0,1]=3 230 B10R1.13 O=C1N=CC(C(=O)O)=CN1 P13001 [0,0,0,0,0,1|2,0,0]=3 231 B10R1.54 CC1=CN(CC(=O)O)N=C1 I12012 [0,0,0,0,0,1|2,0,0]=3 232 B10R1.54 CC1=NC(CC(=O)O)=NO1 72173 [0,0,0,0,0,1|2,0,0]=3 233 B10R1.54 CC1=NN=C(CC(=O)O)O1 71814 [0,0,0,0,0,1|1,0,1]=3 234 B10R1.54 CC1=NNC(CC(=O)O)=N1 F13045 [0,0,0,0,0,1|1,0,2]=4 235 B10R1.54 CC1=NOC(CC(=O)O)=N1 72406 [0,0,0,0,0,1|2,0,1]=4 236 B10R1.54 CN1C=C(CC(=O)O)C=N1 C77601 [0,0,0,0,0,1|2,0,1]=4 237 B10R1.54 CN1C=NC(CC(=O)O)=C1 P10612 [0,0,0,0,0,1|2,0,0]=3 238 B10R1.54 CN1C=NC(CC(=O)O)=C1 P16507 [0,0,0,0,0,1|2,0,0]=3 239 B10R1.54 NC1=CN(CC(=O)O)N=C1 C72642 [0,0,0,0,0,1|3,0,0]=4 240 B10R1.54 NC1=NNC(CC(=O)O)=C1 52101 [0,0,0,0,0,1|1,0,2]=4 241 B10R1.54 O=C(O)CN1C=C(Cl)C=N1 71046 [0,0,0,0,0,1|3,0,0]=4 242 B10R1.113 CC(=O)C1=CC(C)=NC=C1 27585 [0,0,0,0,0,1|2,0,1]=4 243 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [0,0,0,0,0,1|3,0,0]=4 244 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [0,0,0,0,0,1|3,0,0]=4 245 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [0,0,0,0,0,1|3,0,0]=4 246 B10R1.113 CC(=O)C1=NC=CC(N)=C1 C72011 [0,0,0,0,0,1|3,0,0]=4 247 B10R1.113 CC1=CC(C(=N)N)=NC=C1 W12205 [0,0,0,0,0,1|3,0,0]=4 248 B10R1.113 CC1=CC(C(=O)O)=NN=C1 P15424 [0,0,0,0,0,1|0,0,1]=2 249 B10R1.113 CC1=CC([C@H](C)O)=NC=C1 AB7628 [0,0,0,0,0,1|2,0,1]=4 250 B10R1.113 CC1=CC=NC(C(=O)O)=N1 26974 [0,0,0,0,0,1|2,0,0]=3 251 B10R1.113 CC1=NC=CC(C(N)=O)=C1 F11696 [0,0,0,0,0,1|2,0,1]=4 252 B10R1.113 NC(=O)C1=CN=CC(O)=C1 W18378 [0,0,0,0,0,1|3,0,0]=4 253 B10R1.113 NC(=O)C1=NC=CC(N)=C1 S11442 [0,0,0,0,0,1|3,0,0]=4 254 B10R1.113 NC(=O)C1=NC=NC(O)=C1 F17317 [0,0,0,0,0,1|2,0,1]=4 255 B10R1.113 NC1=CC(C(=O)O)=CN=N1 P17402 [0,0,0,0,0,1|1,0,1]=3 256 B10R1.113 NC1=CC(C(=O)O)=NC=N1 26498 [0,0,0,0,0,1|1,0,1]=3 257 B10R1.113 NC1=CN=CC(C(=O)O)=N1 26349 [0,0,0,0,0,1|3,0,0]=4 258 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=N1 F18835 [0,0,0,0,0,1|2,0,1]=4 259 B10R1.113 O=C(O)C1=CC(S)=NC=C1 77943 [0,0,0,0,0,1|2,0,1]=4 260 B10R1.113 O=C(O)C1=NC=CC(Cl)=N1 F19652 [0,0,0,0,0,1|3,0,0]=4 261 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CL0347 [0,0,0,0,0,1|2,0,0]=3 262 B10R1.113 O=C1C=CNC(C(=O)O)=C1 N13374 [0,0,0,0,0,1|2,0,1]=4 263 B7R0.4 C\C=C/C=C/C(=O)O D86563 [1,0,1,0,0,0|2,0,0]=4 264 B7R0.6 CC(C)=CCC(=O)O 24307 [1,0,1,0,0,0|1,0,1]=4 265 B7R1.1 C=CC1=NNC=C1 P13173 [2,0,0,0,0,0|1,0,0]=3 266 B7R1.1 CNC1=NNC=C1 72540 [2,0,0,0,0,0|2,0,0]=4 267 B7R1.1 COC1=NNC=C1 D79536 [2,0,0,0,0,0|2,0,0]=4 268 B7R1.1 NCC1=NNC=C1 36190 [2,0,0,0,0,0|1,0,1]=4 269 B7R1.1 O=CC1=CC=C[Se]1 T72165 [2,0,0,0,0,0|2,0,0]=4 270 B7R1.1 O=CC1=CC=NS1 62852 [2,0,0,0,0,0|1,0,1]=4 271 B7R1.1 O=CC1=CCC=C1 77835 [2,0,0,0,0,0|2,0,0]=4 272 B7R1.1 O=CC1=CNN=N1 F13257 [2,0,0,0,0,0|1,0,1]=4 273 B7R1.1 O=CC1=NOC=C1 P10400 [2,0,0,0,0,0|1,0,0]=3 274 B7R1.1 OCC1=NNC=N1 83468 [2,0,0,0,0,0|1,0,1]=4 275 B7R1.1 OCC1=NNC=N1 F53081 [2,0,0,0,0,0|1,0,1]=4 276 B7R1.2 CC1=CC(=O)CO1 Y10351 [2,0,0,0,0,0|2,0,0]=4 277 B7R1.2 CC1=NC(=O)NN1 79696 [2,0,0,0,0,0|1,0,1]=4 278 B7R1.2 NC1=CC(N)=NN1 F12619 [2,0,0,0,0,0|2,0,0]=4 279 B7R1.2 NC1=NNC(Cl)=C1 P14071 [2,0,0,0,0,0|2,0,0]=4 280 B7R1.2 NC1=NNC(F)=C1 38194 [2,0,0,0,0,0|2,0,0]=4 281 B7R1.2 OC1=NSC(Cl)=C1 O11410 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.21 CCC1=NOC(C=O)=C1 D79227 [1,1,0,0,0,0|1,0,1]=4 283 B9R1.21 CCN1C=NC(C=O)=C1 AT15572 [1,1,0,0,0,0|2,0,0]=4 284 B9R1.21 OCC1=CC(CO)=NN1 F11497 [1,1,0,0,0,0|0,0,1]=3 285 B9R1.23 CC1=CC(C#N)=NN1C F20638 [1,1,0,0,0,0|1,0,1]=4 286 B9R1.23 CC1=CC(CCl)=NN1C 38503 [1,1,0,0,0,0|1,0,1]=4 287 B9R1.132 CC1=C(C=O)N=CN1C 25051 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.132 CC1=CNC(C=O)=C1C 39169 [1,1,0,0,0,0|1,0,1]=4 289 B9R1.132 CC1=CSC(C=O)=C1Cl W10338 [1,1,0,0,0,0|2,0,0]=4 290 B9R1.11 COC(=O)C1=CC=NS1 62854 [1,1,0,0,0,0|1,0,1]=4 291 B9R1.11 COC(=O)C1=COC=N1 22956 [1,1,0,0,0,0|2,0,0]=4 292 B9R1.11 COC(=O)C1=CSN=N1 W15897 [1,1,0,0,0,0|1,0,1]=4 293 B9R1.11 COC(=O)C1=NC=CO1 C74629 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.41 CC(=O)C1=CNC=C1C W17613 [1,1,0,0,0,0|2,0,0]=4 296 B9R1.41 CC1=C(C(=O)O)C=CN1 W10234 [1,1,0,0,0,0|1,0,0]=3 297 B9R1.41 CC1=C(C(=O)O)N=NS1 71555 [1,1,0,0,0,0|1,0,1]=4 298 B9R1.41 NC(=O)C1=NNC=C1Br 25218 [1,1,0,0,0,0|1,0,0]=3 299 B9R1.41 O=C(O)C1=C(Br)C=CN1 C10492 [1,1,0,0,0,0|1,0,1]=4 300 B9R1.41 O=C(O)C1=C(Br)C=CO1 71103 [1,1,0,0,0,0|2,0,0]=4 301 B9R1.41 O=C(O)C1=C(Br)NC=N1 D86912 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.41 O=C(O)C1=C(Cl)C=NN1 W10253 [1,1,0,0,0,0|0,0,2]=4 303 B9R1.41 O=C(O)C1=C(Cl)C=NS1 S11450 [1,1,0,0,0,0|1,0,1]=4 304 B9R1.41 O=C(O)C1=C(Cl)OC=C1 W18500 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.41 O=C(O)C1=C(Cl)SC=C1 27789 [1,1,0,0,0,0|2,0,0]=4 306 B9R1.41 O=C(O)C1=C(F)C=CN1 91531 [1,1,0,0,0,0|1,0,1]=4 307 B9R1.41 O=C(O)C1=C(I)SC=C1 A11648 [1,1,0,0,0,0|2,0,0]=4 308 B9R1.41 O=C(O)C1=C(O)C=CS1 Y10188 [1,1,0,0,0,0|2,0,0]=4 309 B9R1.41 O=C(O)C1=NNC=C1Cl 24966 [1,1,0,0,0,0|0,0,0]=2 310 B9R1.41 O=C(O)C1=NNC=C1F C91234 [1,1,0,0,0,0|0,0,0]=2 311 B9R1.164 CC1(C)C=C(C(=O)O)C1 37683 [0,1,0,0,1,0|1,0,1]=4 312 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 S10908 [0,1,0,0,0,1|1,0,0]=3 313 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 W10833 [0,1,0,0,0,1|1,0,1]=4 314 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 69207 [0,1,0,0,0,1|1,0,1]=4 315 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 C80031 [0,1,0,0,0,1|1,0,1]=4 316 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 H10198 [0,1,0,0,0,1|1,0,1]=4 317 B11R1.3 COC1=CN=C(C(=O)O)N=C1 72368 [0,1,0,0,0,1|1,0,0]=3 318 B11R1.3 COC1=CN=C(C(C)=O)C=N1 S10058 [0,1,0,0,0,1|2,0,0]=4 319 B11R1.3 COC1=CN=C(C(C)=O)N=C1 97279 [0,1,0,0,0,1|2,0,0]=4 320 B11R1.3 COC1=NN=C(C(=O)O)C=C1 P10767 [0,1,0,0,0,1|0,0,1]=3 321 B11R1.3 N#CC1=CN=C(C(=O)O)C=N1 O11418 [0,1,0,0,0,1|1,0,1]=4 322 B11R1.3 N#CC1=CN=C(C(=O)O)N=C1 55103 [0,1,0,0,0,1|1,0,1]=4 323 B11R1.3 NC(=O)C1=NC=C(CO)N=C1 A10669 [0,1,0,0,0,1|2,0,0]=4 324 B11R1.3 NCC1=CN=C(C(=O)O)C=C1 N14194 [0,1,0,0,0,1|1,0,0]=3 325 B11R1.3 NCC1=NC=C(C(=O)O)C=C1 51960 [0,1,0,0,0,1|1,0,1]=4 326 B11R1.3 N\N=C1\C=CC(C(N)=O)=NN1 AC1183 [0,1,0,0,0,1|2,0,0]=4 327 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 P18087 [0,1,0,0,0,1|1,0,1]=4 328 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 C75020 [0,1,0,0,0,1|1,0,0]=3 329 B11R1.21 CC1=C(Br)C=C(C(=O)O)N=C1 C71660 [0,1,0,0,0,1|1,0,0]=3 330 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 C76662 [0,1,0,0,0,1|1,0,0]=3 331 B11R1.21 CC1=C(Cl)C=C(C(=O)O)N=C1 O11218 [0,1,0,0,0,1|1,0,0]=3 332 B11R1.21 CC1=C(F)C=C(C(=O)O)C=N1 C10557 [0,1,0,0,0,1|1,0,1]=4 333 B11R1.21 CC1=C(O)N=C(C(=O)O)C=C1 90209 [0,1,0,0,0,1|1,0,0]=3 334 B11R1.21 CC1=CC(C(=O)O)=CN=C1C D86774 [0,1,0,0,0,1|1,0,1]=4 335 B11R1.21 CC1=CC(C(=O)O)=CNC1=O RB1153 [0,1,0,0,0,1|2,0,0]=4 336 B11R1.21 CC1=CC=C(C(=O)O)N=C1Br 87755 [0,1,0,0,0,1|1,0,0]=3 337 B11R1.21 CC1=NC(C(=O)O)=CN=C1Cl 57161 [0,1,0,0,0,1|2,0,0]=4 338 B11R1.21 CC1=NC=C(C(=O)O)C=C1N 38876 [0,1,0,0,0,1|1,0,1]=4 339 B11R1.21 NC1=C(Br)C=NC(C(=O)O)=C1 P12943 [0,1,0,0,0,1|2,0,0]=4 340 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=N1 D83582 [0,1,0,0,0,1|2,0,0]=4 341 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br 37237 [0,1,0,0,0,1|2,0,0]=4 342 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=N1 A51162 [0,1,0,0,0,1|2,0,0]=4 343 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=N1 P19208 [0,1,0,0,0,1|2,0,0]=4 344 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=N1 22742 [0,1,0,0,0,1|2,0,0]=4 345 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=N1 22761 [0,1,0,0,0,1|2,0,0]=4 346 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=N1 N13206 [0,1,0,0,0,1|2,0,0]=4 347 B11R1.21 O=C(O)C1=CNC(=O)C(O)=C1 AC2078 [0,1,0,0,0,1|2,0,0]=4 348 B11R1.22 COC(=O)C1=CNC(=O)N=C1 C75373 [0,1,0,0,0,1|2,0,0]=4 349 B11R1.22 COC(=O)C1=CNC(=O)N=C1 F12628 [0,1,0,0,0,1|2,0,0]=4 350 B11R1.22 COC(=O)C1=NC=C(C)C=N1 37740 [0,1,0,0,0,1|1,0,0]=3 351 B11R1.22 COC(=O)C1=NC=C(Cl)C=N1 72490 [0,1,0,0,0,1|2,0,0]=4 352 B11R1.22 COC(=O)C1=NC=C(F)C=N1 28016 [0,1,0,0,0,1|2,0,0]=4 353 B11R1.22 COC(=O)C1=NC=C(N)C=N1 P13628 [0,1,0,0,0,1|2,0,0]=4 354 B11R1.22 COC(=O)C1=NC=C(O)C=N1 P14075 [0,1,0,0,0,1|2,0,0]=4 355 B11R1.22 COC(=O)C1=NN=C(Br)C=C1 72416 [0,1,0,0,0,1|1,0,1]=4 356 B11R1.22 COC(=O)C1=NN=C(C)C=C1 29806 [0,1,0,0,0,1|0,0,1]=3 357 B11R1.22 COC(=O)C1=NN=C(N)C=C1 30525 [0,1,0,0,0,1|1,0,1]=4 358 B11R1.166 CC1=CC(F)=C(C(=O)O)N=C1 P12274 [0,1,0,0,0,1|1,0,0]=3 359 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 27738 [0,1,0,0,0,1|1,0,0]=3 360 B11R1.166 CC1=CN=C(C(N)=O)C(=O)N1 W17787 [0,1,0,0,0,1|2,0,0]=4 361 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 Y10097 [0,1,0,0,0,1|1,0,1]=4 362 B11R1.166 CC1=NC(N)=C(C(=O)O)C=N1 F52074 [0,1,0,0,0,1|1,0,1]=4 363 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=N1 C16751 [0,1,0,0,0,1|1,0,1]=4 364 B11R1.166 NC1=C(C(=O)O)N=CC(Cl)=N1 77983 [0,1,0,0,0,1|2,0,0]=4 365 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O 38415 [0,1,0,0,0,1|2,0,0]=4 366 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=N1 BL010109 [0,1,0,0,0,1|2,0,0]=4 367 B11R1.166 O=C(O)C1=C(F)C=C(O)C=N1 D79760 [0,1,0,0,0,1|2,0,0]=4 368 B11R1.166 O=C(O)C1=NC=C(Br)C=C1O 54575 [0,1,0,0,0,1|2,0,0]=4 369 B11R1.166 O=C(O)C1=NC=C(Cl)NC1=O W17937 [0,1,0,0,0,1|2,0,0]=4 370 B11R1.166 O=C1C=C(O)C(C(=O)O)=NN1 W19694 [0,1,0,0,0,1|1,0,0]=3 371 B11R1.39 COC(=O)CC1=NNC(C)=C1 33650 [0,1,0,0,0,1|0,0,0]=2 372 B11R1.23 CC1=CC(C(=O)NN)=CN=C1 79461 [0,1,0,0,0,1|2,0,0]=4 373 B11R1.23 COC(=O)C1=CC(Br)=NC=N1 C71735 [0,1,0,0,0,1|1,0,1]=4 374 B11R1.23 COC(=O)C1=NC=NC(C)=C1 P11578 [0,1,0,0,0,1|0,0,1]=3 375 B11R1.23 COC(=O)C1=NC=NC(N)=C1 39272 [0,1,0,0,0,1|1,0,1]=4 376 B11R1.23 COC(=O)C1=NN=CC(C)=C1 F30429 [0,1,0,0,0,1|0,0,1]=3 377 B11R1.74 CC(=O)C1=NC(C)=CC(C)=C1 N10847 [0,1,0,0,0,1|2,0,0]=4 378 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=N1 D95055 [0,1,0,0,0,1|2,0,0]=4 379 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=N1 90621 [0,1,0,0,0,1|1,0,1]=4 380 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 85554 [0,1,0,0,0,1|1,0,1]=4 381 B11R1.74 CC1=CC(C(=O)O)=CC(N)=C1 34945 [0,1,0,0,0,1|2,0,0]=4 382 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 96460 [0,1,0,0,0,1|2,0,0]=4 383 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 C73547 [0,1,0,0,0,1|2,0,0]=4 384 B11R1.74 CC1=CC(I)=CC(C(=O)O)=C1 C77507 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.74 CC1=NC(C(=O)O)=CC(=O)N1 75580 [0,1,0,0,0,1|1,0,0]=3 386 B11R1.74 CC1=NC(Cl)=NC(C(=O)O)=C1 W15432 [0,1,0,0,0,1|0,0,1]=3 387 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=N1 O11188 [0,1,0,0,0,1|2,0,0]=4 388 B11R1.74 O=C(O)C1=CC(Cl)=CC(Br)=N1 C71247 [0,1,0,0,0,1|2,0,0]=4 389 B11R1.74 O=C(O)C1=CC(O)=CC(Br)=N1 F53706 [0,1,0,0,0,1|2,0,0]=4 390 B11R1.155 CC1=CC(S(=O)(=O)O)=CN=C1 C10904 [0,1,0,0,0,1|2,0,0]=4 391 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O Y10130 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.159 CC1=C(Br)C=NC=C1C(=O)O 82203 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.159 CC1=C(C(=O)O)N=CN=C1Cl 70443 [0,1,0,0,0,1|1,0,1]=4 394 B11R1.159 CC1=C(C)C(C(=O)O)=NC=N1 72793 [0,1,0,0,0,1|0,0,1]=3 395 B11R1.159 CC1=C(N)C(C(=O)O)=NC=C1 D83392 [0,1,0,0,0,1|1,0,0]=3 396 B11R1.159 CC1=NC=CC(C(=O)O)=C1N C90386 [0,1,0,0,0,1|1,0,1]=4 397 B11R1.159 O=C(O)C1=CN=CC(Br)=C1I H10040 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.159 O=C(O)C1=CN=CC(Br)=C1O Y10035 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.159 O=C(O)C1=CNC=C(Br)C1=O O11379 [0,1,0,0,0,1|2,0,0]=4 400 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1F S10232 [0,1,0,0,0,1|2,0,0]=4 401 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl D82211 [0,1,0,0,0,1|2,0,0]=4 402 B11R1.167 CC1=C(C(=O)O)C=C(N)C=N1 D94837 [0,1,0,0,0,1|2,0,0]=4 403 B11R1.167 CC1=CC(C(=O)O)=C(C)C=N1 P18651 [0,1,0,0,0,1|1,0,1]=4 404 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=N1 C71246 [0,1,0,0,0,1|1,0,1]=4 405 B11R1.167 CC1=CC(C(=O)O)=C(F)C=N1 W16972 [0,1,0,0,0,1|1,0,1]=4 406 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 37636 [0,1,0,0,0,1|1,0,1]=4 407 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 C76925 [0,1,0,0,0,1|1,0,1]=4 408 B11R1.167 CC1=CC(C(=O)O)=C(N)N=C1 C75497 [0,1,0,0,0,1|1,0,0]=3 409 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 36485 [0,1,0,0,0,1|2,0,0]=4 410 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 26345 [0,1,0,0,0,1|1,0,0]=3 411 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 C71175 [0,1,0,0,0,1|1,0,0]=3 412 B11R1.167 CC1=NC=C(Cl)C=C1C(=O)O I11983 [0,1,0,0,0,1|2,0,0]=4 413 B11R1.167 CC1=NNC(=O)C(C(=O)O)=C1 94812 [0,1,0,0,0,1|1,0,0]=3 414 B11R1.167 NC1=CN=C(Cl)C(C(=O)O)=C1 37564 [0,1,0,0,0,1|2,0,0]=4 415 B11R1.167 NC1=NC=C(F)C=C1C(=O)O P15966 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.167 O=C(O)C1=CC(F)=CN=C1Br 24198 [0,1,0,0,0,1|2,0,0]=4 417 B11R1.167 O=C(O)C1=CC(F)=CN=C1F AT10057 [0,1,0,0,0,1|2,0,0]=4 418 B11R1.167 O=C(O)C1=CC(F)=CN=C1O A12916 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.167 O=C(O)C1=CC(O)=CN=C1Cl F13413 [0,1,0,0,0,1|2,0,0]=4 420 B11R1.167 O=C1C=C(C(=O)O)C(Br)=CN1 54617 [0,1,0,0,0,1|2,0,0]=4 421 B11R1.266 CCC1=CC(C(=O)O)=NC=C1 FD10613 [0,1,0,0,0,1|1,0,0]=3 422 B11R1.266 CCC1=CC=CC(C(=O)O)=C1 C13682 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.266 COC1=CC(C(=O)O)=CN=N1 P13867 [0,1,0,0,0,1|0,0,1]=3 424 B11R1.266 COC1=CC(C(=O)O)=NC=N1 P10129 [0,1,0,0,0,1|0,0,1]=3 425 B11R1.266 COC1=CC(C(C)=O)=NC=C1 52385 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.266 COC1=CN=CC(C(=O)O)=N1 26232 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 AB9436 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.266 O=C(O)C1=CC(CO)=NC=C1 A10630 [0,1,0,0,0,1|1,0,1]=4 429 B11R1.15 CC1=CC(C(=O)CC#N)=NO1 C72209 [0,2,0,0,0,0|2,0,0]=4 430 B11R1.15 CCOC(=O)C1=CC(=O)NN1 FD10514 [0,2,0,0,0,0|1,0,1]=4 431 B11R1.15 CCOC(=O)C1=CC(C)=CN1 83098 [0,2,0,0,0,0|1,0,1]=4 432 B11R1.15 CCOC(=O)C1=CC(C)=CS1 H11525 [0,2,0,0,0,0|2,0,0]=4 433 B11R1.15 CCOC(=O)C1=CNC(C)=C1 D76379 [0,2,0,0,0,0|1,0,0]=3 434 B11R1.15 CCOC(=O)C1=CNC(C)=N1 D95741 [0,2,0,0,0,0|2,0,0]=4 435 B11R1.15 CCOC(=O)C1=CNC(Cl)=C1 P20595 [0,2,0,0,0,0|2,0,0]=4 436 B11R1.15 CCOC(=O)C1=NC=C(C)N1 96258 [0,2,0,0,0,0|2,0,0]=4 437 B11R1.15 CCOC(=O)C1=NC=C(C)O1 F14099 [0,2,0,0,0,0|2,0,0]=4 438 B11R1.15 CCOC(=O)C1=NN=C(C)O1 61980 [0,2,0,0,0,0|1,0,1]=4 439 B11R1.15 CCOC(=O)C1=NN=C(C)S1 31771 [0,2,0,0,0,0|1,0,1]=4 440 B11R1.15 CCOC(=O)C1=NNC(I)=C1 78224 [0,2,0,0,0,0|1,0,0]=3 441 B11R1.15 CCOC(=O)C1=NOC(Br)=C1 D84090 [0,2,0,0,0,0|2,0,0]=4 442 B11R1.15 CCOC(=O)C1=NOC(C)=N1 67364 [0,2,0,0,0,0|2,0,0]=4 443 B11R1.15 CCOC(=O)C1=NOC(N)=C1 88480 [0,2,0,0,0,0|2,0,0]=4 444 B11R1.44 COC(=O)C1=CC(CN)=CS1 C77132 [0,2,0,0,0,0|2,0,0]=4 445 B11R1.44 COC(=O)C1=CC(OC)=NO1 W11034 [0,2,0,0,0,0|1,0,1]=4 446 B11R1.44 COC(=O)C1=NC=C(OC)O1 AC6206 [0,2,0,0,0,0|2,0,0]=4 447 B11R1.225 COC(=O)C1=C(Br)SC(C)=C1 71863 [0,2,0,0,0,0|2,0,0]=4 448 B11R1.226 CNC(=O)C1=NN(C)C(C)=C1 78294 [0,2,0,0,0,0|1,0,0]=3 449 B11R1.226 COC(=O)C1=NN(C)C(Br)=C1 C10683 [0,2,0,0,0,0|1,0,0]=3 450 B11R1.226 COC(=O)C1=NN(C)C(C)=C1 W18238 [0,2,0,0,0,0|0,0,0]=2 451 B11R1.226 COC(=O)C1=NN(C)C(N)=C1 36248 [0,2,0,0,0,0|1,0,0]=3 452 B11R1.865 COC(=O)C1=C(Br)C(C)=NN1 F16315 [0,2,0,0,0,0|0,0,2]=4 453 B11R1.865 COC(=O)C1=C(I)C(C)=CS1 A12879 [0,2,0,0,0,0|2,0,0]=4 454 B11R1.865 COC(=O)C1=C(N)C(C)=NN1 C72993 [0,2,0,0,0,0|0,0,2]=4 455 B11R1.865 COC(=O)C1=C(N)C(C)=NO1 W11092 [0,2,0,0,0,0|1,0,1]=4 456 B11R1.865 COC(=O)C1=NNC(C)=C1C D82973 [0,2,0,0,0,0|0,0,0]=2 457 B11R1.48 CCC1=CC(C(=O)O)=NN1C Y10748 [0,2,0,0,0,0|0,0,0]=2 458 B11R1.48 CCN1N=C(C(=O)O)C=C1C S10907 [0,2,0,0,0,0|0,0,0]=2 459 B11R1.48 COC1=CC(C(=O)O)=NN1C W17522 [0,2,0,0,0,0|0,0,0]=2 460 B11R1.50 COC1=NN(C)C(C(=O)O)=C1 O11026 [0,2,0,0,0,0|0,0,2]=4 461 B11R1.124 COCC1=CNC(C(=O)O)=C1 C72930 [0,2,0,0,0,0|1,0,1]=4 462 B11R1.175 CC(=O)C1=CC(C(=O)O)=NN1 W11729 [0,2,0,0,0,0|0,0,0]=2 463 B11R1.175 CC(C)N1C=NC(C(=O)O)=C1 AT15452 [0,2,0,0,0,0|2,0,0]=4 464 B11R1.175 O=C(O)C1=CC(C(F)F)=NO1 W18534 [0,2,0,0,0,0|1,0,1]=4 465 B11R1.175 O=C(O)C1=NNC(C(F)F)=C1 P19151 [0,2,0,0,0,0|0,0,0]=2 466 B11R1.672 CC1=C(F)C(C(=O)O)=NN1C W13810 [0,2,0,0,0,0|0,0,0]=2 467 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Cl F30596 [0,2,0,0,0,0|0,0,2]=4 468 B7R1.18 O=C(O)C1=CCC1 P16818 [1,0,0,0,1,0|1,0,1]=4 469 B9R1.2 C=CC1=CC(C)=CN=C1 79122 [1,0,0,0,0,1|2,0,0]=4 470 B9R1.2 CC1=CC(CO)=NC=N1 38642 [1,0,0,0,0,1|0,0,2]=4 471 B9R1.2 CC1=CC(CO)=NN=C1 F30430 [1,0,0,0,0,1|0,0,2]=4 472 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [1,0,0,0,0,1|2,0,0]=4 473 B9R1.2 O=CC1=CC(Br)=NC=N1 D70857 [1,0,0,0,0,1|1,0,1]=4 474 B9R1.2 O=CC1=NC=CC(O)=C1 W18365 [1,0,0,0,0,1|2,0,0]=4 475 B9R1.2 O=CC1=NC=NC(O)=C1 82364 [1,0,0,0,0,1|1,0,1]=4 476 B9R1.13 O=C(O)CC1=CC=CN1 29609 [1,0,0,0,0,1|1,0,1]=4 477 B9R1.13 O=C(O)CC1=CC=CO1 W10208 [1,0,0,0,0,1|2,0,0]=4 478 B9R1.13 O=C(O)CC1=CC=NO1 AC1452 [1,0,0,0,0,1|1,0,1]=4 479 B9R1.13 O=C(O)CC1=CCC=C1 78226 [1,0,0,0,0,1|2,0,0]=4 480 B9R1.13 O=C(O)CC1=CNC=C1 65416 [1,0,0,0,0,1|1,0,0]=3 481 B9R1.13 O=C(O)CC1=CNC=N1 C16158 [1,0,0,0,0,1|2,0,0]=4 482 B9R1.13 O=C(O)CC1=CNN=C1 71976 [1,0,0,0,0,1|2,0,0]=4 483 B9R1.13 O=C(O)CC1=NC=CN1 F17266 [1,0,0,0,0,1|2,0,0]=4 484 B9R1.13 O=C(O)CC1=NC=CS1 26228 [1,0,0,0,0,1|2,0,0]=4 485 B9R1.13 O=C(O)CC1=NNC=C1 71426 [1,0,0,0,0,1|0,0,0]=2 486 B9R1.13 O=C(O)CC1=NOC=C1 Y10092 [1,0,0,0,0,1|1,0,0]=3 487 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 56191 [0,0,0,0,0,2|1,0,0]=3 488 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 89138 [0,0,0,0,0,2|2,0,0]=4 489 B11R1.20 O=C(O)CC1=NC=C(Cl)C=N1 P10959 [0,0,0,0,0,2|2,0,0]=4 490 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 89139 [0,0,0,0,0,2|2,0,0]=4 491 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 27383 [0,0,0,0,0,2|2,0,0]=4 492 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 P12089 [0,0,0,0,0,2|2,0,0]=4 493 B11R1.20 O=C(O)CC1=NC=C(O)C=C1 W18187 [0,0,0,0,0,2|2,0,0]=4 494 B11R1.75 CC1=CC(\C=C\C(=O)O)=NO1 W18280 [0,0,0,0,0,2|1,0,0]=3 495 B11R1.75 CC1=CSC(CCC(=O)O)=C1 72711 [0,0,0,0,0,2|2,0,0]=4 496 B11R1.75 CC1=NN=C(CCC(=O)O)S1 72788 [0,0,0,0,0,2|1,0,1]=4 497 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 D80704 [0,0,0,0,0,2|1,0,0]=3 498 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 P17359 [0,0,0,0,0,2|1,0,0]=3 499 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 S10096 [0,0,0,0,0,2|1,0,0]=3 500 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 39149 [0,0,0,0,0,2|2,0,0]=4 501 B11R1.157 O=C(O)CC1=NC=CC(Br)=C1 C71755 [0,0,0,0,0,2|2,0,0]=4