0 B9R1.35 CC(=O)C1=CN=C(Cl)S1 F13142 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC(=O)C1=CSC(Br)=C1 25953 [0,0,0,0,0,0|3,1,0]=4 3 B9R1.35 CC(=O)C1=CSC(Br)=N1 51523 [0,0,0,0,0,0|3,1,0]=4 4 B9R1.35 CC(=O)C1=CSC(C)=N1 A12305 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 CC(=O)C1=CSC(Cl)=C1 37629 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CC(=O)C1=CSC(N)=N1 35110 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 CC(=O)C1=NC(Br)=CS1 C15281 [0,0,0,0,0,0|3,1,0]=4 8 B9R1.35 CC(=O)C1=NC(C)=CO1 36487 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.35 CC(=O)C1=NC=C(Br)S1 P10802 [0,0,0,0,0,0|2,1,0]=3 10 B9R1.35 CC(=O)C1=NC=C(C)S1 78720 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.35 CC(=O)C1=NC=C(Cl)S1 P10801 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.35 CC(=O)C1=NN(C)C=C1 P10302 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 CC(=O)N1C=CC(=O)N1 C76740 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.35 CC1=CC(C(=O)O)=NS1 AT21128 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.35 CC1=CN=C(C(=O)[O-])O1 P15538 [0,0,0,0,0,0|2,1,1]=4 17 B9R1.35 CC1=CNC(C(=O)O)=N1 C16255 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.35 CC1=CNC(C(=O)O)=N1 Y11423 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.35 CC1=NC(C(N)=O)=CO1 D72598 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.35 CC1=NC(C(N)=O)=CS1 F19208 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.35 CC1=NC=C(C(=O)O)O1 F13461 [0,0,0,0,0,0|2,1,0]=3 22 B9R1.35 CC1=NN=C(C(=O)O)S1 I11693 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.35 CC1=NN=C(C(=O)[O-])S1 I10757 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.35 CN1C=CC(C(=O)O)=C1 26121 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.35 CN1C=CC(C(N)=O)=N1 Y10580 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.35 CN1C=NC(C(=O)O)=N1 72561 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.35 C[C@H](O)C1=CSC(Cl)=C1 38491 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.35 FC(F)C1=CC=C(Br)S1 W16588 [0,0,0,0,0,0|2,1,1]=4 29 B9R1.35 NC(=O)C1=CC(Br)=CN1 C73743 [0,0,0,0,0,0|3,1,0]=4 30 B9R1.35 NC(=O)C1=CC(Br)=CO1 C77306 [0,0,0,0,0,0|3,1,0]=4 31 B9R1.35 NC(=O)C1=CC=C(Br)N1 38755 [0,0,0,0,0,0|2,1,0]=3 32 B9R1.35 NC(=O)C1=CC=C(N)S1 C90315 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.35 NC(=O)C1=CN=C(Br)S1 S10763 [0,0,0,0,0,0|2,1,0]=3 34 B9R1.35 NC(=O)C1=COC(Cl)=N1 D94445 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.35 NC(=O)C1=NC(Br)=CN1 D94566 [0,0,0,0,0,0|3,1,0]=4 36 B9R1.35 NC(=O)C1=NN=C(Cl)S1 72503 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.35 NC1=CNC(C(=O)O)=C1 F14489 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.35 NC1=CNC(C(=O)O)=N1 D94530 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.35 NC1=NC(C(=O)O)=CN1 F14481 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.35 NC1=NC(C(=O)O)=CO1 38367 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 77750 [0,0,0,0,0,0|2,0,2]=4 42 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 D76148 [0,0,0,0,0,0|2,0,2]=4 43 B9R1.35 O=C(O)C1=CC(Br)=CO1 25418 [0,0,0,0,0,0|2,1,0]=3 44 B9R1.35 O=C(O)C1=CC(Br)=NN1 D80317 [0,0,0,0,0,0|3,1,0]=4 45 B9R1.35 O=C(O)C1=CC(Br)=NO1 69280 [0,0,0,0,0,0|3,1,0]=4 46 B9R1.35 O=C(O)C1=CC(Cl)=CS1 24303 [0,0,0,0,0,0|2,0,0]=2 47 B9R1.35 O=C(O)C1=CC(F)=CS1 C10503 [0,0,0,0,0,0|2,1,0]=3 48 B9R1.35 O=C(O)C1=CC(I)=CN1 86089 [0,0,0,0,0,0|2,1,0]=3 49 B9R1.35 O=C(O)C1=CC=C(F)S1 83084 [0,0,0,0,0,0|0,1,0]=1 50 B9R1.35 O=C(O)C1=CC=C(I)S1 C75812 [0,0,0,0,0,0|0,1,0]=1 51 B9R1.35 O=C(O)C1=CNC(Cl)=C1 72647 [0,0,0,0,0,0|2,0,0]=2 52 B9R1.35 O=C(O)C1=COC(Cl)=N1 Y10043 [0,0,0,0,0,0|2,0,0]=2 53 B9R1.35 O=C(O)C1=COC(I)=N1 D95450 [0,0,0,0,0,0|2,1,0]=3 54 B9R1.35 O=C(O)C1=CSC(Cl)=C1 24618 [0,0,0,0,0,0|2,0,0]=2 55 B9R1.35 O=C(O)C1=NC=C(Br)S1 FD9045 [0,0,0,0,0,0|1,1,0]=2 56 B9R1.35 O=C(O)C1=NC=C(Cl)S1 P10902 [0,0,0,0,0,0|1,0,0]=1 57 B9R1.35 O=C(O)C1=NNC(Cl)=C1 20415 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.35 O=C(O)C1=NNC(O)=C1 C77021 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.35 O=C(O)C1=NOC(Cl)=C1 D80865 [0,0,0,0,0,0|3,0,0]=3 60 B9R1.35 O=[N+]([O-])C1=CC=C(Br)O1 AC1555 [0,0,0,0,0,0|1,2,1]=4 61 B9R1.35 O=[N+]([O-])C1=NC=C(Br)S1 C73532 [0,0,0,0,0,0|2,1,1]=4 62 B9R1.35 OB(O)C1=CN=C(Cl)S1 D83610 [0,0,0,0,0,0|2,0,1]=3 63 B8R1.1 CC1=CC(C=O)=CS1 P15425 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.1 CC1=CC=C(C=O)N1 29847 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.1 CC1=CC=C(CN)S1 71266 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.1 CC1=CC=C(CO)S1 W10513 [1,0,0,0,0,0|1,0,1]=3 67 B8R1.1 CC1=CN=C(C=O)S1 25174 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.1 CC1=CN=C(CO)S1 C73831 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.1 CC1=CNC(C=O)=C1 D84258 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.1 CC1=CNC(C=O)=N1 23109 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.1 CC1=COC(C=O)=N1 P10997 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.1 CC1=NC=C(C=O)O1 C10143 [1,0,0,0,0,0|2,1,0]=4 73 B8R1.1 CC1=NN=C(C=O)S1 Y10085 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.1 CN1C=CC(C=O)=C1 AT16322 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.1 N#CC1=CC=C(F)S1 37626 [1,0,0,0,0,0|1,1,1]=4 76 B8R1.1 N#CC1=CC=C(I)S1 C73627 [1,0,0,0,0,0|1,1,1]=4 77 B8R1.1 N#CC1=CC=C(N)S1 53143 [1,0,0,0,0,0|2,0,1]=4 78 B8R1.1 NCC1=CC=C(Br)S1 P15264 [1,0,0,0,0,0|1,1,1]=4 79 B8R1.1 NCC1=CC=C(Cl)S1 P10560 [1,0,0,0,0,0|1,0,1]=3 80 B8R1.1 O=CC1=CC(I)=CS1 Y10451 [1,0,0,0,0,0|2,1,0]=4 81 B8R1.1 O=CC1=CC=C(Br)N1 O11353 [1,0,0,0,0,0|1,1,0]=3 82 B8R1.1 O=CC1=CC=C(Cl)N1 D95169 [1,0,0,0,0,0|1,0,0]=2 83 B8R1.1 O=CC1=CNC(Br)=C1 F13792 [1,0,0,0,0,0|2,1,0]=4 84 B8R1.1 O=CC1=COC(Br)=N1 AT11059 [1,0,0,0,0,0|2,1,0]=4 85 B8R1.1 O=CC1=CSC(Br)=C1 P10686 [1,0,0,0,0,0|2,1,0]=4 86 B8R1.1 O=CC1=CSC(Cl)=C1 37628 [1,0,0,0,0,0|2,0,0]=3 87 B8R1.1 O=CC1=CSC(Cl)=N1 25211 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.1 O=CC1=NC=C(Cl)S1 38230 [1,0,0,0,0,0|1,0,0]=2 89 B8R1.1 O=CC1=NN=C(Cl)S1 Y11504 [1,0,0,0,0,0|2,0,0]=3 90 B8R1.1 OCC1=CSC(Cl)=C1 37630 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.1 OCC1=NC=C(Br)S1 37717 [1,0,0,0,0,0|1,1,1]=4 92 B8R1.1 OCC1=NC=C(Cl)S1 P11456 [1,0,0,0,0,0|1,0,1]=3 93 B8R1.7 CC(=O)C1=CC=NO1 I11392 [1,0,0,0,0,0|2,1,0]=4 94 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [1,0,0,0,0,0|2,1,0]=4 95 B8R1.7 CC(=O)C1=CC=NS1 62850 [1,0,0,0,0,0|2,0,0]=3 96 B8R1.7 CC(=O)C1=CN=CS1 66660 [1,0,0,0,0,0|2,0,0]=3 97 B8R1.7 CC(=O)C1=CN=NS1 66662 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.7 CC(=O)C1=NC=CO1 33464 [1,0,0,0,0,0|2,1,0]=4 99 B8R1.7 CC(=O)C1=NOC=C1 33729 [1,0,0,0,0,0|3,0,0]=4 100 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [1,0,0,0,0,0|2,0,1]=4 101 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [1,0,0,0,0,0|2,0,1]=4 102 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [1,0,0,0,0,0|2,0,1]=4 103 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [1,0,0,0,0,0|2,0,1]=4 104 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [1,0,0,0,0,0|2,0,1]=4 105 B8R1.7 C[C@H](O)C1=CN=CS1 AT14805 [1,0,0,0,0,0|2,0,1]=4 106 B8R1.7 N=C(N)C1=CC=CS1 C15965 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.7 NC(=O)C1=CC=NO1 F30843 [1,0,0,0,0,0|2,1,0]=4 108 B8R1.7 NC(=O)C1=CN=CO1 78451 [1,0,0,0,0,0|2,1,0]=4 109 B8R1.7 NC(=O)C1=CN=CS1 D79735 [1,0,0,0,0,0|2,0,0]=3 110 B8R1.7 NC(=O)C1=COC=N1 35847 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.7 NC(=O)C1=NC=CS1 A10602 [1,0,0,0,0,0|2,0,0]=3 112 B8R1.7 NC(=O)C1=NSC=C1 F14137 [1,0,0,0,0,0|3,0,0]=4 113 B8R1.7 O=C(Cl)N1C=CC=N1 72878 [1,0,0,0,0,0|3,0,0]=4 114 B8R1.7 O=C(O)C1=CN=NN1 28556 [1,0,0,0,0,0|3,0,0]=4 115 B8R1.7 O=C(O)C1=CSN=C1 83094 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.7 O=C(O)C1=NNN=C1 O10789 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.7 O=C(O)C1=NOC=N1 AC6968 [1,0,0,0,0,0|3,0,0]=4 118 B8R1.7 O=C(O)C1=NSC=C1 83207 [1,0,0,0,0,0|2,0,0]=3 119 B8R1.7 O=C(O)C1=NSN=C1 F16493 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.7 O=[N+]([O-])C1=CC=CN1 26912 [1,0,0,0,0,0|2,0,1]=4 121 B10R1.14 CC1=CC=C(C(=O)NN)O1 79439 [0,1,0,0,0,0|2,1,0]=4 122 B10R1.14 CNC(=O)C1=CN=C(N)S1 C71570 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.14 COC(=O)C1=CC(C)=CN1 F53538 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.14 COC(=O)C1=CC(Cl)=CS1 P12968 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.14 COC(=O)C1=CC(F)=CN1 68046 [0,1,0,0,0,0|2,1,0]=4 126 B10R1.14 COC(=O)C1=CC(F)=CS1 F21319 [0,1,0,0,0,0|2,1,0]=4 127 B10R1.14 COC(=O)C1=CC(I)=CN1 80242 [0,1,0,0,0,0|2,1,0]=4 128 B10R1.14 COC(=O)C1=CC=C(Cl)O1 76672 [0,1,0,0,0,0|0,1,0]=2 129 B10R1.14 COC(=O)C1=CC=C(Cl)S1 O11960 [0,1,0,0,0,0|0,0,0]=1 130 B10R1.14 COC(=O)C1=CC=C(I)S1 C76903 [0,1,0,0,0,0|0,1,0]=2 131 B10R1.14 COC(=O)C1=CC=C(N)N1 F14198 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.14 COC(=O)C1=CN(C)C=C1 W18273 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.14 COC(=O)C1=CN=C(Br)O1 26636 [0,1,0,0,0,0|1,2,0]=4 134 B10R1.14 COC(=O)C1=CN=C(Cl)O1 24825 [0,1,0,0,0,0|1,1,0]=3 135 B10R1.14 COC(=O)C1=CN=C(N)O1 C77206 [0,1,0,0,0,0|2,1,0]=4 136 B10R1.14 COC(=O)C1=CNC(=O)N1 32398 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.14 COC(=O)C1=CNC(Br)=C1 30522 [0,1,0,0,0,0|2,1,0]=4 138 B10R1.14 COC(=O)C1=CNC(C)=N1 C77526 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.14 COC(=O)C1=COC(Br)=N1 24396 [0,1,0,0,0,0|2,1,0]=4 140 B10R1.14 COC(=O)C1=COC(C)=C1 C15656 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.14 COC(=O)C1=CSC(N)=C1 W15215 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.14 COC(=O)C1=NC=C(Br)S1 P11750 [0,1,0,0,0,0|1,1,0]=3 143 B10R1.14 COC(=O)C1=NC=C(C)S1 25239 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.14 COC(=O)C1=NC=C(N)N1 D80282 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.14 COC(=O)C1=NNC(Cl)=C1 P15511 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.14 O=C(CBr)C1=CC=C(Br)O1 C90418 [0,1,0,0,0,0|1,2,0]=4 147 B10R1.31 CCC1=NC(C(=O)O)=CS1 69872 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.31 CCC1=NC(C(=O)O)=CS1 C73183 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.31 COC1=CC=C(C(=O)O)S1 31392 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.31 COC1=CN=C(C(=O)O)O1 C75184 [0,1,0,0,0,0|2,1,0]=4 151 B10R1.31 N#CC1=CC=C(C(=O)O)N1 C16499 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.31 N#CC1=CC=C(C(=O)O)O1 N12973 [0,1,0,0,0,0|1,1,0]=3 153 B10R1.31 N#CC1=CC=C(C(=O)O)S1 89049 [0,1,0,0,0,0|1,0,0]=2 154 B10R1.31 N#CC1=COC(C(=O)O)=C1 C72484 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.31 N#CC1=CSC(C(=O)O)=C1 76094 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.31 NCC1=CC=C([N+](=O)[O-])S1 31756 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.31 O=C(O)C1=CSC(CO)=N1 W17565 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.31 O=CC1=CC(C(=O)O)=CO1 AT17491 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.31 O=CC1=NC=C(C(=O)O)S1 F14409 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 O10304 [0,1,0,0,0,0|1,1,0]=3 161 B10R1.58 CC(=O)C1=CC(Cl)=C(Br)S1 O10303 [0,1,0,0,0,0|1,1,0]=3 162 B10R1.58 CC(=O)C1=CC(Cl)=C(Cl)S1 C75701 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.58 CC1=C(Br)C=C(B(O)O)S1 63233 [0,1,0,0,0,0|2,0,1]=4 164 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 36278 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.58 CC1=C(Br)SC(C(=O)O)=N1 F13815 [0,1,0,0,0,0|1,1,0]=3 166 B10R1.58 CC1=C(Br)SC(C(=O)[O-])=N1 AT24928 [0,1,0,0,0,0|1,1,1]=4 167 B10R1.58 CC1=C(C)NC(C(=O)O)=C1 F30544 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.58 CC1=CC(C(=O)O)=CN1C 72960 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.58 CN1N=C(C(=O)O)C=C1Br 80200 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.58 CN1N=C(C(=O)O)C=C1Cl 80334 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.58 CN1N=C(C(=O)O)C=C1N 38065 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.58 NC(=O)C1=CC(Cl)=C(Cl)N1 C75354 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.58 O=C(O)C1=CC(Br)=C(Cl)S1 C16067 [0,1,0,0,0,0|0,0,0]=1 174 B10R1.58 O=C(O)C1=CC(Cl)=C(Br)S1 C71923 [0,1,0,0,0,0|0,1,0]=2 175 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)N1 W17455 [0,1,0,0,0,0|1,0,0]=2 176 B10R1.58 O=C(O)C1=NC(Cl)=C(Cl)N1 96262 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 C74181 [0,1,0,0,0,0|2,1,0]=4 178 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 83678 [0,1,0,0,0,0|2,1,0]=4 179 B10R1.59 CC(=O)C1=C(C)N=C(Cl)S1 W17906 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.59 CC1=C(C(=O)O)C=C(Br)S1 W11336 [0,1,0,0,0,0|2,1,0]=4 181 B10R1.59 CC1=C(C(=O)O)N=C(Br)S1 27125 [0,1,0,0,0,0|2,1,0]=4 182 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 A11936 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.59 CC1=C(C(=O)O)N=C(N)S1 A11196 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 D73863 [0,1,0,0,0,0|1,0,0]=2 185 B10R1.59 CC1=CC(Br)=C(C(=O)O)S1 D95614 [0,1,0,0,0,0|1,0,0]=2 186 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 F52431 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 61000 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.59 CC1=CN(C)N=C1C(=O)O 22968 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.59 CC1=NC(C(=O)O)=C(N)S1 C11013 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.59 CN1C=C(Br)C=C1C(=O)O 26615 [0,1,0,0,0,0|2,1,0]=4 191 B10R1.59 CN1C=C(Cl)C(C(=O)O)=N1 57638 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.59 CN1C=C(F)C=C1C(=O)O 73060 [0,1,0,0,0,0|2,1,0]=4 193 B10R1.59 CN1C=C(I)C(C(=O)O)=N1 C10776 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.59 CN1C=C(N)C(C(=O)O)=N1 AC1879 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.59 CN1C=C(N)C=C1C(=O)O 84211 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.59 CN1N=C(Cl)C=C1C(=O)O 66055 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.59 NC(=O)C1=C(N)C=C(Br)S1 F30708 [0,1,0,0,0,0|1,1,0]=3 198 B10R1.59 O=C(O)C1=C(Br)C=C(Cl)S1 C10746 [0,1,0,0,0,0|0,0,0]=1 199 B10R1.59 O=C(O)C1=C(Br)N=C(Br)S1 27825 [0,1,0,0,0,0|1,1,0]=3 200 B10R1.59 O=C(O)C1=C(Cl)C=C(Br)S1 N12995 [0,1,0,0,0,0|0,1,0]=2 201 B10R1.59 O=C(O)C1=C(Cl)C=C(Cl)S1 F16141 [0,1,0,0,0,0|0,0,0]=1 202 B10R1.59 O=C(O)C1=C(Cl)SC(Br)=C1 C10404 [0,1,0,0,0,0|2,1,0]=4 203 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 71336 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.194 CC1=CC=C(C(=O)O)N1C D83409 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.194 CC1=CSC(C(=O)O)=C1C C77023 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.194 CC1=NC=C(C(=O)O)N1C F11120 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.194 CN1C(Br)=CC=C1C(=O)O 26338 [0,1,0,0,0,0|1,1,0]=3 208 B10R1.194 CN1C(C(=O)O)=CN=C1O W11944 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [0,0,0,0,0,1|2,1,0]=4 210 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [0,0,0,0,0,1|3,0,0]=4 211 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [0,0,0,0,0,1|3,0,0]=4 212 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 P10979 [0,0,0,0,0,1|2,0,0]=3 213 B10R1.13 CC1=CCC(C(=O)O)=CC1 A12608 [0,0,0,0,0,1|2,0,1]=4 214 B10R1.13 CC1=CN=C(C(=O)O)N=C1 RB3298 [0,0,0,0,0,1|3,0,0]=4 215 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [0,0,0,0,0,1|2,0,1]=4 216 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [0,0,0,0,0,1|2,0,1]=4 217 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 W16706 [0,0,0,0,0,1|3,0,0]=4 218 B10R1.13 N=C(N)C1=NC=C(Cl)C=C1 37719 [0,0,0,0,0,1|3,0,0]=4 219 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [0,0,0,0,0,1|3,0,0]=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 NC1=CC=C(C(=O)[O-])C=C1 A11465 [0,0,0,0,0,1|2,0,1]=4 222 B10R1.13 NC1=CN=C(C(=O)O)N=C1 P10377 [0,0,0,0,0,1|3,0,0]=4 223 B10R1.13 O=C(O)C1=CN=C(Br)N=C1 F11671 [0,0,0,0,0,1|2,1,0]=4 224 B10R1.13 O=C(O)C1=CN=C(F)C=N1 70428 [0,0,0,0,0,1|2,1,0]=4 225 B10R1.13 O=C(O)C1=NC=C(F)C=N1 38641 [0,0,0,0,0,1|2,1,0]=4 226 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [0,0,0,0,0,1|1,1,0]=3 227 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 P10335 [0,0,0,0,0,1|1,1,0]=3 228 B10R1.13 O=C(O)C1=NN=C(O)C=C1 C73877 [0,0,0,0,0,1|2,0,0]=3 229 B10R1.13 O=C1N=CC(C(=O)O)=CN1 P13001 [0,0,0,0,0,1|3,0,0]=4 230 B10R1.54 NC1=NC=C(CC(=O)O)S1 38971 [0,0,0,0,0,1|2,0,0]=3 231 B10R1.54 O=C(O)CC1=CC=C(Br)S1 79437 [0,0,0,0,0,1|0,1,0]=2 232 B10R1.54 O=C(O)CC1=CSC(Br)=N1 AT14613 [0,0,0,0,0,1|2,1,0]=4 233 B10R1.54 O=C(O)CN1C=C(Cl)C=N1 71046 [0,0,0,0,0,1|3,0,0]=4 234 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 AC1313 [0,0,0,0,0,1|3,0,0]=4 235 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 A10170 [0,0,0,0,0,1|2,1,0]=4 236 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 W17608 [0,0,0,0,0,1|2,1,0]=4 237 B10R1.113 CC(=O)C1=CC(C)=NC=C1 27585 [0,0,0,0,0,1|3,0,0]=4 238 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [0,0,0,0,0,1|2,0,0]=3 239 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [0,0,0,0,0,1|2,1,0]=4 240 B10R1.113 CC(=O)C1=CC(F)=NC=C1 52239 [0,0,0,0,0,1|2,1,0]=4 241 B10R1.113 CC(=O)C1=CC(N)=NC=C1 82952 [0,0,0,0,0,1|3,0,0]=4 242 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [0,0,0,0,0,1|2,0,0]=3 243 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F30144 [0,0,0,0,0,1|2,1,0]=4 244 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 Y14516 [0,0,0,0,0,1|2,0,0]=3 245 B10R1.113 CC(=O)C1=NC(C)=NC=C1 D70257 [0,0,0,0,0,1|3,0,0]=4 246 B10R1.113 CC(=O)C1=NC(N)=NC=C1 75052 [0,0,0,0,0,1|3,0,0]=4 247 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [0,0,0,0,0,1|2,1,0]=4 248 B10R1.113 CC(=O)C1=NC=CC(N)=C1 C72011 [0,0,0,0,0,1|3,0,0]=4 249 B10R1.113 CC1=CC(C(=O)O)=NN=C1 P15424 [0,0,0,0,0,1|3,0,0]=4 250 B10R1.113 CC1=CC=CC(C(N)=O)=N1 AB10051 [0,0,0,0,0,1|3,0,0]=4 251 B10R1.113 CC1=CC=NC(C(=O)O)=N1 26974 [0,0,0,0,0,1|2,0,0]=3 252 B10R1.113 CC1=NC=CC(C(N)=O)=C1 F11696 [0,0,0,0,0,1|3,0,0]=4 253 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1260 [0,0,0,0,0,1|2,0,1]=4 254 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1269 [0,0,0,0,0,1|2,0,1]=4 255 B10R1.113 NC(=O)C1=CC(O)=CC=C1 C75901 [0,0,0,0,0,1|3,0,0]=4 256 B10R1.113 NC(=O)C1=CC=CC(Cl)=N1 78773 [0,0,0,0,0,1|2,0,0]=3 257 B10R1.113 NC(=O)C1=CC=NC(Cl)=N1 24231 [0,0,0,0,0,1|2,0,0]=3 258 B10R1.113 NC(=O)C1=CN=CC(O)=C1 W18378 [0,0,0,0,0,1|3,0,0]=4 259 B10R1.113 NC(=O)C1=NC(N)=NC=C1 C73521 [0,0,0,0,0,1|3,0,0]=4 260 B10R1.113 NC(=O)C1=NC(O)=CC=C1 C77024 [0,0,0,0,0,1|3,0,0]=4 261 B10R1.113 NC(=O)C1=NC=CC(N)=C1 S11442 [0,0,0,0,0,1|3,0,0]=4 262 B10R1.113 NC1=CC(C(=O)O)=CN=N1 P17402 [0,0,0,0,0,1|3,0,0]=4 263 B10R1.113 NC1=CC(C(=O)O)=NC=N1 26498 [0,0,0,0,0,1|3,0,0]=4 264 B10R1.113 NC1=CN=CC(C(=O)O)=N1 26349 [0,0,0,0,0,1|2,0,0]=3 265 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 78664 [0,0,0,0,0,1|2,0,0]=3 266 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=N1 F18835 [0,0,0,0,0,1|3,0,0]=4 267 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C76563 [0,0,0,0,0,1|2,0,0]=3 268 B10R1.113 O=C(O)C1=CC(S)=NC=C1 77943 [0,0,0,0,0,1|2,0,0]=3 269 B10R1.113 O=C(O)C1=CC=NC(Br)=N1 W17831 [0,0,0,0,0,1|1,1,0]=3 270 B10R1.113 O=C(O)C1=NC=CC(Cl)=N1 F19652 [0,0,0,0,0,1|1,0,0]=2 271 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CL0347 [0,0,0,0,0,1|1,1,0]=3 272 B10R1.113 O=C([O-])C1=NC(O)=CN=C1 P19772 [0,0,0,0,0,1|2,0,1]=4 273 B10R1.113 O=C1C=CC[C@H](C(=O)O)C1 F18279 [0,0,0,0,0,1|2,0,1]=4 274 B10R1.113 O=C1C=CNC(C(=O)O)=C1 N13374 [0,0,0,0,0,1|2,0,0]=3 275 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=N1 BL000528 [0,0,0,0,0,1|2,0,1]=4 276 B10R1.113 OB(O)C1=NC=CC(Cl)=C1 S11103 [0,0,0,0,0,1|2,0,1]=4 277 B7R0.4 C\C=C/C=C/C(=O)O D86563 [1,0,1,0,0,0|1,0,0]=3 278 B7R1.1 C=CC1=CC=CS1 C10114 [2,0,0,0,0,0|1,0,0]=3 279 B7R1.1 ClCC1=CC=CS1 79790 [2,0,0,0,0,0|1,0,1]=4 280 B7R1.1 O=CC1=CC=C[Se]1 T72165 [2,0,0,0,0,0|0,1,0]=3 281 B7R1.1 O=CC1=CC=NS1 62852 [2,0,0,0,0,0|1,0,0]=3 282 B7R1.1 O=CC1=CCC=C1 77835 [2,0,0,0,0,0|1,0,1]=4 283 B7R1.1 O=CC1=CN=CO1 39069 [2,0,0,0,0,0|1,1,0]=4 284 B7R1.1 O=CC1=NOC=C1 P10400 [2,0,0,0,0,0|2,0,0]=4 285 B7R1.1 OCC1=CC=NS1 53001 [2,0,0,0,0,0|1,0,1]=4 286 B7R1.2 CC1=CNC(=O)S1 C90545 [2,0,0,0,0,0|2,0,0]=4 287 B7R1.2 ClC1=CN=C(Cl)S1 P13000 [2,0,0,0,0,0|2,0,0]=4 288 B7R1.2 OC1=CC=C(Br)S1 C72253 [2,0,0,0,0,0|0,1,0]=3 289 B9R1.21 CCC1=NC=C(C=O)S1 O10772 [1,1,0,0,0,0|2,0,0]=4 290 B9R1.21 O=CC1=CC=C(CBr)O1 N16894 [1,1,0,0,0,0|0,2,0]=4 291 B9R1.21 O=CC1=CC=C(CO)N1 O11303 [1,1,0,0,0,0|2,0,0]=4 292 B9R1.22 CC1=C(C=O)SC(Br)=N1 C77197 [1,1,0,0,0,0|1,1,0]=4 293 B9R1.22 O=CC1=C(Cl)NC(=O)S1 F20156 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.22 O=CC1=C(Cl)SC(Cl)=C1 26316 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.23 O=CC1=CC(Br)=C(Br)S1 D77762 [1,1,0,0,0,0|0,1,0]=3 296 B9R1.132 CN1C(Br)=CC=C1C=O O11356 [1,1,0,0,0,0|1,1,0]=4 297 B9R1.11 CCC(=O)C1=NC=CS1 F53520 [1,1,0,0,0,0|2,0,0]=4 298 B9R1.11 COC(=O)C1=CC=NS1 62854 [1,1,0,0,0,0|1,0,0]=3 299 B9R1.11 COC(=O)C1=COC=N1 22956 [1,1,0,0,0,0|2,0,0]=4 300 B9R1.11 COC(=O)C1=NC=CO1 C74629 [1,1,0,0,0,0|1,1,0]=4 301 B9R1.11 NNC(=O)C1=CN=CS1 D79739 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.11 NNC(=O)C1=NC=CS1 78397 [1,1,0,0,0,0|2,0,0]=4 303 B9R1.11 N[C@@H](CO)C1=CC=CS1 F16920 [1,1,0,0,0,0|1,0,1]=4 304 B9R1.11 N[C@@H](CO)C1=CC=CS1 Y11116 [1,1,0,0,0,0|1,0,1]=4 305 B9R1.11 O=C(CBr)C1=CC=CO1 D79351 [1,1,0,0,0,0|1,1,0]=4 306 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [1,1,0,0,0,0|0,1,0]=3 307 B9R1.11 O=CC(=O)C1=CC=CO1 D94856 [1,1,0,0,0,0|0,1,1]=4 308 B9R1.19 O=S(=O)(O)C1=CC=CS1 C76553 [1,1,0,0,0,0|1,0,0]=3 309 B9R1.41 CC1=C(C(=O)O)C=CN1 W10234 [1,1,0,0,0,0|2,0,0]=4 310 B9R1.41 NC(=O)C1=CC=CN1N P15055 [1,1,0,0,0,0|2,0,0]=4 311 B9R1.41 O=C(O)C1=C(Br)C=CN1 C10492 [1,1,0,0,0,0|1,0,0]=3 312 B9R1.41 O=C(O)C1=C(Br)C=CO1 71103 [1,1,0,0,0,0|0,1,0]=3 313 B9R1.41 O=C(O)C1=C(Br)N=CS1 88253 [1,1,0,0,0,0|1,0,0]=3 314 B9R1.41 O=C(O)C1=C(Br)NC=N1 D86912 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.41 O=C(O)C1=C(Cl)C=NN1 W10253 [1,1,0,0,0,0|2,0,0]=4 316 B9R1.41 O=C(O)C1=C(Cl)C=NS1 S11450 [1,1,0,0,0,0|1,0,0]=3 317 B9R1.41 O=C(O)C1=C(Cl)OC=C1 W18500 [1,1,0,0,0,0|2,0,0]=4 318 B9R1.41 O=C(O)C1=C(Cl)SC=C1 27789 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.41 O=C(O)C1=C(F)C=CN1 91531 [1,1,0,0,0,0|1,0,0]=3 320 B9R1.41 O=C(O)C1=C(I)SC=C1 A11648 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.41 O=C(O)C1=C(O)C=CS1 Y10188 [1,1,0,0,0,0|0,0,0]=2 322 B9R1.41 O=C(O)C1=NNC=C1Cl 24966 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.41 O=C(O)C1=NNC=C1F C91234 [1,1,0,0,0,0|2,0,0]=4 324 B9R1.41 OB(O)C1=C(Br)C=CS1 70371 [1,1,0,0,0,0|1,0,1]=4 325 B11R1.3 C#CC1=NC=C(C(=O)O)C=C1 P18107 [0,1,0,0,0,1|2,0,0]=4 326 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 S10908 [0,1,0,0,0,1|2,0,0]=4 327 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 W10833 [0,1,0,0,0,1|2,0,0]=4 328 B11R1.3 COC1=NN=C(C(=O)O)C=C1 P10767 [0,1,0,0,0,1|2,0,0]=4 329 B11R1.3 NCC1=CN=C(C(=O)O)C=C1 N14194 [0,1,0,0,0,1|2,0,0]=4 330 B11R1.3 NCC1=NC=C(C(=O)O)C=C1 51960 [0,1,0,0,0,1|2,0,0]=4 331 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 P18087 [0,1,0,0,0,1|2,0,0]=4 332 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 C75020 [0,1,0,0,0,1|2,0,0]=4 333 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 C72016 [0,1,0,0,0,1|2,0,0]=4 334 B11R1.21 CC1=C(Br)C=C(C(=O)O)N=C1 C71660 [0,1,0,0,0,1|2,0,0]=4 335 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 C76662 [0,1,0,0,0,1|2,0,0]=4 336 B11R1.21 CC1=C(Cl)C=C(C(=O)O)N=C1 O11218 [0,1,0,0,0,1|2,0,0]=4 337 B11R1.21 CC1=C(F)C=C(C(=O)O)C=N1 C10557 [0,1,0,0,0,1|2,0,0]=4 338 B11R1.21 CC1=C(O)N=C(C(=O)O)C=C1 90209 [0,1,0,0,0,1|2,0,0]=4 339 B11R1.21 CC1=CC(C(=O)O)=CN=C1C D86774 [0,1,0,0,0,1|2,0,0]=4 340 B11R1.21 CC1=CC(C(=O)O)=CNC1=O RB1153 [0,1,0,0,0,1|2,0,0]=4 341 B11R1.21 CC1=CC=C(C(=O)O)N=C1Br 87755 [0,1,0,0,0,1|2,0,0]=4 342 B11R1.21 CC1=NC(C(=O)O)=CN=C1Cl 57161 [0,1,0,0,0,1|2,0,0]=4 343 B11R1.21 CC1=NC=C(C(=O)O)C=C1N 38876 [0,1,0,0,0,1|2,0,0]=4 344 B11R1.21 NC1=C(Br)C=NC(C(=O)O)=C1 P12943 [0,1,0,0,0,1|1,1,0]=4 345 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=N1 D83582 [0,1,0,0,0,1|1,0,0]=3 346 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 S10893 [0,1,0,0,0,1|1,1,0]=4 347 B11R1.21 NC1=CC(C(=O)O)=CN=C1N C74383 [0,1,0,0,0,1|2,0,0]=4 348 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 F31188 [0,1,0,0,0,1|2,0,0]=4 349 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=N1 A51162 [0,1,0,0,0,1|1,0,0]=3 350 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=N1 P19208 [0,1,0,0,0,1|2,0,0]=4 351 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 D84788 [0,1,0,0,0,1|1,1,0]=4 352 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 CK2246 [0,1,0,0,0,1|2,0,0]=4 353 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=N1 22742 [0,1,0,0,0,1|1,1,0]=4 354 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=N1 22761 [0,1,0,0,0,1|1,0,0]=3 355 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 31381 [0,1,0,0,0,1|1,1,0]=4 356 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=N1 N13206 [0,1,0,0,0,1|2,0,0]=4 357 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 24357 [0,1,0,0,0,1|1,0,0]=3 358 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 P10667 [0,1,0,0,0,1|1,1,0]=4 359 B11R1.21 O=C(O)C1=CNC(=O)C(O)=C1 AC2078 [0,1,0,0,0,1|2,0,0]=4 360 B11R1.22 CCC(=O)C1=CN=C(Cl)C=C1 F13171 [0,1,0,0,0,1|2,0,0]=4 361 B11R1.22 CCC(=O)C1=NC=C(Cl)C=C1 D81575 [0,1,0,0,0,1|2,0,0]=4 362 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 D83483 [0,1,0,0,0,1|2,0,0]=4 363 B11R1.22 COC(=O)C1=CC=C(S)C=C1 W12575 [0,1,0,0,0,1|2,0,0]=4 364 B11R1.22 COC(=O)C1=NC=C(Cl)C=N1 72490 [0,1,0,0,0,1|2,0,0]=4 365 B11R1.22 COC(=O)C1=NN=C(Br)C=C1 72416 [0,1,0,0,0,1|1,1,0]=4 366 B11R1.22 COC(=O)C1=NN=C(C)C=C1 29806 [0,1,0,0,0,1|2,0,0]=4 367 B11R1.22 COC(=O)C1=NN=C(N)C=C1 30525 [0,1,0,0,0,1|2,0,0]=4 368 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 A12574 [0,1,0,0,0,1|2,0,0]=4 369 B11R1.22 O=C(CBr)C1=NC=C(Cl)C=C1 80107 [0,1,0,0,0,1|2,0,0]=4 370 B11R1.22 O=C(CCl)C1=CN=C(Cl)C=C1 83967 [0,1,0,0,0,1|2,0,0]=4 371 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 27936 [0,1,0,0,0,1|1,1,0]=4 372 B11R1.22 O\N=C(/Cl)C1=CC=C(Cl)C=C1 A12381 [0,1,0,0,0,1|2,0,0]=4 373 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl 86422 [0,1,0,0,0,1|2,0,0]=4 374 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1C D79870 [0,1,0,0,0,1|2,0,0]=4 375 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1F BL010223 [0,1,0,0,0,1|2,0,0]=4 376 B11R1.166 CC1=C(C(=O)O)C=CC(I)=C1 31871 [0,1,0,0,0,1|1,1,0]=4 377 B11R1.166 CC1=C(C(=O)O)C=NC(Cl)=N1 CS1395 [0,1,0,0,0,1|2,0,0]=4 378 B11R1.166 CC1=C(C(=O)O)C=NC(N)=C1 W11094 [0,1,0,0,0,1|2,0,0]=4 379 B11R1.166 CC1=CC(F)=C(C(=O)O)N=C1 P12274 [0,1,0,0,0,1|2,0,0]=4 380 B11R1.166 NC(=O)C1=C(Cl)C=C(Cl)C=N1 RB3269 [0,1,0,0,0,1|2,0,0]=4 381 B11R1.166 NC(=O)C1=C(O)C=C(Cl)C=C1 72118 [0,1,0,0,0,1|2,0,0]=4 382 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1F D79885 [0,1,0,0,0,1|2,0,0]=4 383 B11R1.166 NC(=O)C1=NN=C(Cl)C=C1Cl P20609 [0,1,0,0,0,1|2,0,0]=4 384 B11R1.166 NC1=C(C(=O)O)C=NC(Cl)=N1 N10067 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.166 NC1=C(C(=O)O)N=CC(Cl)=N1 77983 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=N1 I11984 [0,1,0,0,0,1|2,0,0]=4 387 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O 38415 [0,1,0,0,0,1|1,0,0]=3 388 B11R1.166 NC1=CC(F)=NC=C1C(=O)O 37635 [0,1,0,0,0,1|1,1,0]=4 389 B11R1.166 NC1=CC(N)=C(C(=O)O)C=C1 D95034 [0,1,0,0,0,1|2,0,0]=4 390 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)N=C1 F11789 [0,1,0,0,0,1|1,0,0]=3 391 B11R1.166 O=C(O)C1=C(Br)C=C(O)C=C1 C13381 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=N1 BL010109 [0,1,0,0,0,1|1,1,0]=4 393 B11R1.166 O=C(O)C1=C(Cl)N=C(Br)C=C1 F10539 [0,1,0,0,0,1|1,1,0]=4 394 B11R1.166 O=C(O)C1=C(F)C=C(O)C=N1 D79760 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 RB3340 [0,1,0,0,0,1|1,0,0]=3 396 B11R1.166 O=C(O)C1=CC=C(F)N=C1Br F30561 [0,1,0,0,0,1|1,1,0]=4 397 B11R1.166 O=C(O)C1=CC=C(F)N=C1Cl W16949 [0,1,0,0,0,1|1,1,0]=4 398 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Br F11779 [0,1,0,0,0,1|1,1,0]=4 399 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl F11857 [0,1,0,0,0,1|1,1,0]=4 400 B11R1.166 O=C(O)C1=CN=C(F)C=C1F S10764 [0,1,0,0,0,1|1,1,0]=4 401 B11R1.166 O=C(O)C1=NC=C(Br)C=C1O 54575 [0,1,0,0,0,1|1,1,0]=4 402 B11R1.166 O=C(O)C1=NC=C(Cl)NC1=O W17937 [0,1,0,0,0,1|2,0,0]=4 403 B11R1.166 O=C([O-])C1=NN=C(Cl)C=C1Cl C11211 [0,1,0,0,0,1|1,0,1]=4 404 B11R1.166 O=C1C=C(O)C(C(=O)O)=NN1 W19694 [0,1,0,0,0,1|2,0,0]=4 405 B11R1.39 COC(=O)CC1=CC=C(Br)S1 79451 [0,1,0,0,0,1|0,1,0]=3 406 B11R1.39 COC(=O)CC1=CN=C(N)S1 P10299 [0,1,0,0,0,1|2,0,0]=4 407 B11R1.645 CC1=NC(C)=C(CC(=O)O)S1 71321 [0,1,0,0,0,1|2,0,0]=4 408 B11R1.23 CCC(=O)C1=NC=CC(Cl)=C1 FD10573 [0,1,0,0,0,1|2,0,0]=4 409 B11R1.23 COC(=O)C1=CC(=O)C=CN1 C77360 [0,1,0,0,0,1|2,0,0]=4 410 B11R1.23 COC(=O)C1=CC(F)=NC=C1 C10485 [0,1,0,0,0,1|1,1,0]=4 411 B11R1.23 COC(=O)C1=CN=CC(Br)=N1 25757 [0,1,0,0,0,1|1,1,0]=4 412 B11R1.23 COC(=O)C1=NC(=O)NC=C1 C77281 [0,1,0,0,0,1|2,0,0]=4 413 B11R1.23 COC(=O)C1=NC(C)=NC=C1 90607 [0,1,0,0,0,1|2,0,0]=4 414 B11R1.23 COC(=O)C1=NC(N)=CC=N1 AT18258 [0,1,0,0,0,1|2,0,0]=4 415 B11R1.23 COC(=O)C1=NC(N)=NC=C1 H10331 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.23 NNC(=O)C1=NC=CC(Cl)=C1 F19685 [0,1,0,0,0,1|2,0,0]=4 417 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 80119 [0,1,0,0,0,1|2,0,0]=4 418 B11R1.23 O=C(CCl)C1=NC=CC(Cl)=C1 78962 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 AC6589 [0,1,0,0,0,1|1,0,0]=3 420 B11R1.23 O=CC(=O)C1=CC=CC(Cl)=C1 N16981 [0,1,0,0,0,1|1,0,1]=4 421 B11R1.74 CC(=O)C1=CC(Cl)=NC(C)=C1 90620 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.74 CC(=O)C1=CC(Cl)=NC(Cl)=C1 72212 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=N1 D95055 [0,1,0,0,0,1|1,1,0]=4 424 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=N1 90621 [0,1,0,0,0,1|1,1,0]=4 425 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 85554 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.74 CC1=CC(C(=O)O)=CC(N)=C1 34945 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 96460 [0,1,0,0,0,1|1,0,0]=3 428 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 C73547 [0,1,0,0,0,1|1,0,0]=3 429 B11R1.74 CC1=CC(I)=CC(C(=O)O)=C1 C77507 [0,1,0,0,0,1|1,1,0]=4 430 B11R1.74 CC1=NC(C(=O)O)=CC(=O)N1 75580 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.74 CC1=NC(Cl)=NC(C(=O)O)=C1 W15432 [0,1,0,0,0,1|1,0,0]=3 432 B11R1.74 NC(=O)C1=CC(Cl)=CC(Cl)=N1 D78983 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.74 NC(=O)C1=NC(Cl)=NC(Cl)=C1 D82358 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.74 NC1=CC(C(=O)O)=CC(Cl)=N1 Y14716 [0,1,0,0,0,1|1,0,0]=3 435 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=N1 O11188 [0,1,0,0,0,1|1,0,0]=3 436 B11R1.74 O=C(O)C1=CC(Br)=NC(F)=C1 70340 [0,1,0,0,0,1|1,1,0]=4 437 B11R1.74 O=C(O)C1=CC(Cl)=CC(Br)=N1 C71247 [0,1,0,0,0,1|1,0,0]=3 438 B11R1.74 O=C(O)C1=CC(Cl)=NC(O)=C1 RB1152 [0,1,0,0,0,1|1,0,0]=3 439 B11R1.74 O=C(O)C1=CC(O)=CC(Br)=N1 F53706 [0,1,0,0,0,1|1,1,0]=4 440 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=N1 F19693 [0,1,0,0,0,1|1,0,0]=3 441 B11R1.155 O=S(=O)(O)C1=CC=CC(Cl)=C1 A12252 [0,1,0,0,0,1|2,0,0]=4 442 B11R1.159 CC(=O)C1=C(N)C(Cl)=NC=C1 F53540 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1N 51210 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O Y10130 [0,1,0,0,0,1|1,1,0]=4 445 B11R1.159 CC1=C(Br)C=NC=C1C(=O)O 82203 [0,1,0,0,0,1|1,1,0]=4 446 B11R1.159 CC1=C(C(=O)O)N=CN=C1Cl 70443 [0,1,0,0,0,1|2,0,0]=4 447 B11R1.159 CC1=C(N)C(C(=O)O)=NC=C1 D83392 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.159 CC1=NC=CC(C(=O)O)=C1N C90386 [0,1,0,0,0,1|2,0,0]=4 449 B11R1.159 CN1C(=O)C=CC=C1C(=O)O 26241 [0,1,0,0,0,1|2,0,0]=4 450 B11R1.159 NC(=O)C1=C(Cl)C(Cl)=CC=N1 58503 [0,1,0,0,0,1|2,0,0]=4 451 B11R1.159 NC(=O)C1=C(N)C(Cl)=NC=C1 C74761 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.159 NC(=O)C1=CN=CC(Cl)=C1Cl F20288 [0,1,0,0,0,1|2,0,0]=4 453 B11R1.159 NC1=C(C(=O)O)C=CN=C1Cl 36261 [0,1,0,0,0,1|1,0,0]=3 454 B11R1.159 NC1=C(F)C(C(=O)O)=CC=N1 D83637 [0,1,0,0,0,1|2,0,0]=4 455 B11R1.159 O=C(O)C1=C(Br)C(Br)=NC=C1 W17140 [0,1,0,0,0,1|1,1,0]=4 456 B11R1.159 O=C(O)C1=C(Cl)C(Br)=NC=C1 30916 [0,1,0,0,0,1|1,1,0]=4 457 B11R1.159 O=C(O)C1=CC=CC(=O)N1O 36408 [0,1,0,0,0,1|2,0,0]=4 458 B11R1.159 O=C(O)C1=CC=CC(=S)N1O W11623 [0,1,0,0,0,1|2,0,0]=4 459 B11R1.159 O=C(O)C1=CC=CC(O)=C1Cl CL9330 [0,1,0,0,0,1|2,0,0]=4 460 B11R1.159 O=C(O)C1=CC=NC(Cl)=C1Br C13624 [0,1,0,0,0,1|1,0,0]=3 461 B11R1.159 O=C(O)C1=CN=CC(Br)=C1I H10040 [0,1,0,0,0,1|1,1,0]=4 462 B11R1.159 O=C(O)C1=CN=CC(Br)=C1O Y10035 [0,1,0,0,0,1|1,1,0]=4 463 B11R1.159 O=C(O)C1=CNC=C(Br)C1=O O11379 [0,1,0,0,0,1|1,1,0]=4 464 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1F S10232 [0,1,0,0,0,1|1,0,0]=3 465 B11R1.167 CC(=O)C1=C(Br)C=NC(Cl)=C1 79385 [0,1,0,0,0,1|2,0,0]=4 466 B11R1.167 CC(=O)C1=C(C)C=NC(Cl)=N1 27765 [0,1,0,0,0,1|2,0,0]=4 467 B11R1.167 CC1=C(C(=O)O)C=C(N)C=N1 D94837 [0,1,0,0,0,1|2,0,0]=4 468 B11R1.167 CC1=C(C(=O)O)N=C(Br)C=C1 P16139 [0,1,0,0,0,1|1,1,0]=4 469 B11R1.167 CC1=CC(C(=O)O)=C(C)C=N1 P18651 [0,1,0,0,0,1|2,0,0]=4 470 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=N1 C71246 [0,1,0,0,0,1|2,0,0]=4 471 B11R1.167 CC1=CC(C(=O)O)=C(F)C=N1 W16972 [0,1,0,0,0,1|2,0,0]=4 472 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 37636 [0,1,0,0,0,1|2,0,0]=4 473 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 C76925 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.167 CC1=CC(C(=O)O)=C(N)N=C1 C75497 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.167 CC1=CC=C(C)C(C(=O)O)=N1 O10927 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.167 CC1=CC=C(N)C(C(=O)O)=N1 68795 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.167 CC1=CC=C(O)C(C(=O)O)=N1 C72632 [0,1,0,0,0,1|2,0,0]=4 478 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 36485 [0,1,0,0,0,1|2,0,0]=4 479 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 26345 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 C71175 [0,1,0,0,0,1|2,0,0]=4 481 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=C1 Y10194 [0,1,0,0,0,1|2,0,0]=4 482 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=N1 66252 [0,1,0,0,0,1|2,0,0]=4 483 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=C1 P18650 [0,1,0,0,0,1|2,0,0]=4 484 B11R1.167 CC1=NC=C(Cl)C=C1C(=O)O I11983 [0,1,0,0,0,1|1,0,0]=3 485 B11R1.167 CN1C=CC(=O)C=C1C(=O)O W19341 [0,1,0,0,0,1|2,0,0]=4 486 B11R1.167 NC(=O)C1=C(N)N=CC(Cl)=N1 75746 [0,1,0,0,0,1|2,0,0]=4 487 B11R1.167 NC(=O)C1=C(O)N=CC(Cl)=N1 83017 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.167 NC(=O)C1=CC(Cl)=NC=C1N D79795 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.167 NC(=O)C1=NC(Cl)=CN=C1Cl W18440 [0,1,0,0,0,1|2,0,0]=4 490 B11R1.167 NC1=C(C(=O)O)N=C(Br)C=C1 F31145 [0,1,0,0,0,1|1,1,0]=4 491 B11R1.167 NC1=C(C(=O)O)N=C(Cl)N=C1 W17978 [0,1,0,0,0,1|1,0,0]=3 492 B11R1.167 NC1=C(C(=O)O)N=C(I)C=N1 75748 [0,1,0,0,0,1|1,1,0]=4 493 B11R1.167 NC1=CC(C(=O)O)=C(N)C=C1 F52721 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.167 NC1=CN=C(Cl)C(C(=O)O)=C1 37564 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.167 NC1=CN=C(F)C=C1C(=O)O 71434 [0,1,0,0,0,1|1,1,0]=4 496 B11R1.167 NC1=NC(C(=O)O)=C(Br)C=C1 F31274 [0,1,0,0,0,1|2,0,0]=4 497 B11R1.167 NC1=NC(C(=O)O)=C(Br)C=N1 C77121 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.167 NC1=NC(C(=O)O)=C(Cl)C=N1 C15823 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.167 NC1=NC(C(=O)O)=C(Cl)C=N1 FD13030 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.167 NC1=NC=C(F)C=C1C(=O)O P15966 [0,1,0,0,0,1|1,1,0]=4 501 B11R1.167 O=C(Cl)C1=C(O)C=CC(Cl)=C1 W16064 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.167 O=C(O)C1=C(Br)C=CC(F)=N1 80162 [0,1,0,0,0,1|1,1,0]=4 503 B11R1.167 O=C(O)C1=C(Br)C=NC(F)=C1 F31180 [0,1,0,0,0,1|1,1,0]=4 504 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=N1 O10988 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=N1 85645 [0,1,0,0,0,1|1,1,0]=4 506 B11R1.167 O=C(O)C1=C(I)C=CC(O)=C1 69861 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=N1 26690 [0,1,0,0,0,1|1,1,0]=4 508 B11R1.167 O=C(O)C1=C(O)N=CC(Br)=N1 C10999 [0,1,0,0,0,1|1,1,0]=4 509 B11R1.167 O=C(O)C1=CC(Br)=NC=C1Cl 22950 [0,1,0,0,0,1|1,1,0]=4 510 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1O A10724 [0,1,0,0,0,1|1,0,0]=3 511 B11R1.167 O=C(O)C1=CC(F)=CN=C1Br 24198 [0,1,0,0,0,1|1,1,0]=4 512 B11R1.167 O=C(O)C1=CC(F)=CN=C1F AT10057 [0,1,0,0,0,1|1,1,0]=4 513 B11R1.167 O=C(O)C1=CC(F)=CN=C1O A12916 [0,1,0,0,0,1|1,1,0]=4 514 B11R1.167 O=C(O)C1=CC(O)=CN=C1Cl F13413 [0,1,0,0,0,1|2,0,0]=4 515 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Br 36554 [0,1,0,0,0,1|1,0,0]=3 516 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Cl N13216 [0,1,0,0,0,1|1,0,0]=3 517 B11R1.167 O=C1C=C(C(=O)O)C(Br)=CN1 54617 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.266 C=CC1=CC=CC(C(=O)O)=C1 F16168 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.266 CCC1=CC(C(=O)O)=NC=C1 FD10613 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.266 CCC1=CC=CC(C(=O)O)=C1 C13682 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.266 CNC1=CC=CC(C(=O)O)=N1 O11509 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.266 COC1=CN=CC(C(=O)O)=N1 26232 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.266 COC1=NC=CC(C(=O)O)=N1 C76423 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.266 CSC1=NC(C(=O)O)=CC=N1 24986 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.266 N#CC1=CC=CC(C(=O)O)=N1 O11586 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.266 N#CC1=NC=CC(C(=O)O)=N1 AT19519 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 AB9436 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.266 O=C(O)C1=CC(CO)=NC=C1 A10630 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.266 O=CC1=CC=CC(C(=O)O)=N1 N13223 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.266 O=CC1=NC=CC(C(=O)O)=C1 36339 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.15 CCOC(=O)C1=CC=C(Br)N1 78881 [0,2,0,0,0,0|1,1,0]=4 532 B11R1.15 CCOC(=O)C1=CN=C(S)S1 SC1360 [0,2,0,0,0,0|2,0,0]=4 533 B11R1.15 CCOC(=O)C1=CNC(Cl)=C1 P20595 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.15 CCOC(=O)C1=CSC(Cl)=C1 Y11383 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.15 CCOC(=O)C1=NC=C(Br)S1 F52709 [0,2,0,0,0,0|1,1,0]=4 536 B11R1.44 COC(=O)C1=CC=C(C#N)S1 89051 [0,2,0,0,0,0|1,0,0]=3 537 B11R1.44 COC(=O)C1=CC=C(C=O)O1 A11318 [0,2,0,0,0,0|1,1,0]=4 538 B11R1.44 COC(=O)C1=CC=C(CN)N1 O11942 [0,2,0,0,0,0|2,0,0]=4 539 B11R1.44 COC(=O)C1=CC=C(OC)S1 AC2452 [0,2,0,0,0,0|1,0,0]=3 540 B11R1.44 COC(=O)C1=CN=C(C=O)S1 P13174 [0,2,0,0,0,0|2,0,0]=4 541 B11R1.225 COC(=O)C1=C(Br)C=C(C)S1 24401 [0,2,0,0,0,0|1,0,0]=3 542 B11R1.225 COC(=O)C1=C(Br)C=C(I)S1 57934 [0,2,0,0,0,0|0,1,0]=3 543 B11R1.225 COC(=O)C1=C(Br)SC(Cl)=N1 C73390 [0,2,0,0,0,0|2,0,0]=4 544 B11R1.225 COC(=O)C1=C(C)C=C(Br)O1 W11701 [0,2,0,0,0,0|0,2,0]=4 545 B11R1.225 COC(=O)C1=C(C)C=C(Br)S1 AC2449 [0,2,0,0,0,0|0,1,0]=3 546 B11R1.225 COC(=O)C1=C(C)C=C(N)S1 W15346 [0,2,0,0,0,0|1,0,0]=3 547 B11R1.225 COC(=O)C1=C(C)N=C(C)S1 W18908 [0,2,0,0,0,0|2,0,0]=4 548 B11R1.225 COC(=O)C1=C(F)C=C(Br)S1 D82840 [0,2,0,0,0,0|0,1,0]=3 549 B11R1.225 COC(=O)C1=C(N)C=C(I)S1 O11901 [0,2,0,0,0,0|0,1,0]=3 550 B11R1.225 COC(=O)C1=C(N)SC(Cl)=C1 S10369 [0,2,0,0,0,0|2,0,0]=4 551 B11R1.225 COC(=O)C1=C(O)C=C(Cl)S1 C77287 [0,2,0,0,0,0|0,0,0]=2 552 B11R1.226 COC(=O)C1=CC(Br)=C(Cl)O1 31601 [0,2,0,0,0,0|0,1,0]=3 553 B11R1.226 COC(=O)C1=CC(Br)=C(Cl)S1 F30473 [0,2,0,0,0,0|0,0,0]=2 554 B11R1.226 COC(=O)C1=CC(Cl)=C(Cl)S1 C77003 [0,2,0,0,0,0|0,0,0]=2 555 B11R1.226 COC(=O)C1=CC(F)=C(Br)S1 O11952 [0,2,0,0,0,0|0,1,0]=3 556 B11R1.226 COC(=O)C1=CC(F)=C(Cl)S1 D83984 [0,2,0,0,0,0|0,0,0]=2 557 B11R1.226 COC(=O)C1=CC(N)=C(Br)S1 O11928 [0,2,0,0,0,0|0,1,0]=3 558 B11R1.226 COC(=O)C1=CC(N)=C(N)S1 27666 [0,2,0,0,0,0|1,0,0]=3 559 B11R1.865 COC(=O)C1=CC=C(Br)N1C 90136 [0,2,0,0,0,0|1,1,0]=4 560 B11R1.175 CC(C)C1=CC=C(C(=O)O)N1 C77075 [0,2,0,0,0,0|2,0,0]=4 561 B11R1.175 CC(C)C1=NC=C(C(=O)O)S1 44092 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.175 O=C(O)C1=CC=C(C(=O)O)N1 69598 [0,2,0,0,0,0|2,0,0]=4 563 B11R1.175 O=C(O)C1=CC=C([N+](=O)[O-])N1 D85717 [0,2,0,0,0,0|2,0,0]=4 564 B11R1.672 O=C(O)C1=C(Br)C(Br)=C(Br)S1 A12609 [0,2,0,0,0,0|0,1,0]=3 565 B11R1.672 O=C(O)C1=C(Cl)C(Cl)=C(Cl)S1 AC5753 [0,2,0,0,0,0|0,0,0]=2 566 B11R1.672 [2H]C1=C([2H])C([2H])=C(C(=O)O)O1 D87123 [0,2,0,0,0,0|1,1,0]=4 567 B11R1.49 CCC1=C(C(=O)O)SC(C)=N1 25111 [0,2,0,0,0,0|2,0,0]=4 568 B9R1.69 CC1=CC=C(Cl)NC1=O 78111 [0,0,1,1,0,0|2,0,0]=4 569 B9R1.69 O=C1NC(Cl)=CC=C1Br AT20001 [0,0,1,1,0,0|2,0,0]=4 570 B7R1.18 O=C(O)C1=CCC1 P16818 [1,0,0,0,1,0|0,0,2]=4 571 B9R1.2 C=CC1=NC=CC(Cl)=C1 C77362 [1,0,0,0,0,1|2,0,0]=4 572 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [1,0,0,0,0,1|2,0,0]=4 573 B9R1.2 NC1=CC=CC(C=O)=C1 CK2096 [1,0,0,0,0,1|2,0,0]=4 574 B9R1.2 NC1=CC=CC(C=O)=N1 D70565 [1,0,0,0,0,1|2,0,0]=4 575 B9R1.2 O=CC1=CC=CC(=O)N1 N12900 [1,0,0,0,0,1|2,0,0]=4 576 B9R1.2 O=CC1=CC=NC(Cl)=N1 P10948 [1,0,0,0,0,1|1,0,0]=3 577 B9R1.2 O=CC1=CN=CC(Cl)=N1 70892 [1,0,0,0,0,1|1,0,0]=3 578 B9R1.2 O=CC1=NC=CC(O)=C1 W18365 [1,0,0,0,0,1|2,0,0]=4 579 B9R1.2 OCC1=CC(Cl)=CN=C1 26741 [1,0,0,0,0,1|1,0,1]=4 580 B9R1.2 OCC1=CC=NC(Cl)=N1 F53087 [1,0,0,0,0,1|1,0,1]=4 581 B9R1.13 CC(=O)CC1=CC=CS1 W16827 [1,0,0,0,0,1|1,0,0]=3 582 B9R1.13 O=C(O)CC1=CC=CN1 29609 [1,0,0,0,0,1|1,0,0]=3 583 B9R1.13 O=C(O)CC1=CC=CO1 W10208 [1,0,0,0,0,1|0,1,0]=3 584 B9R1.13 O=C(O)CC1=CC=NO1 AC1452 [1,0,0,0,0,1|1,1,0]=4 585 B9R1.13 O=C(O)CC1=CCC=C1 78226 [1,0,0,0,0,1|1,0,1]=4 586 B9R1.13 O=C(O)CC1=CN=CS1 P10574 [1,0,0,0,0,1|1,0,0]=3 587 B9R1.13 O=C(O)CC1=CNC=C1 65416 [1,0,0,0,0,1|2,0,0]=4 588 B9R1.13 O=C(O)CC1=CNC=N1 C16158 [1,0,0,0,0,1|2,0,0]=4 589 B9R1.13 O=C(O)CC1=NC=CN1 F17266 [1,0,0,0,0,1|2,0,0]=4 590 B9R1.13 O=C(O)CC1=NC=CS1 26228 [1,0,0,0,0,1|1,0,0]=3 591 B9R1.13 O=C(O)CC1=NNC=C1 71426 [1,0,0,0,0,1|2,0,0]=4 592 B9R1.13 O=C(O)CC1=NOC=C1 Y10092 [1,0,0,0,0,1|2,0,0]=4 593 B11R1.20 CC(=O)NC1=NN=C(Cl)C=C1 F52718 [0,0,0,0,0,2|2,0,0]=4 594 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 56191 [0,0,0,0,0,2|2,0,0]=4 595 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 84999 [0,0,0,0,0,2|2,0,0]=4 596 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 F18175 [0,0,0,0,0,2|2,0,0]=4 597 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 52120 [0,0,0,0,0,2|2,0,0]=4 598 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 89138 [0,0,0,0,0,2|1,0,0]=3 599 B11R1.20 O=C(O)CC1=NC=C(Cl)C=N1 P10959 [0,0,0,0,0,2|2,0,0]=4 600 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 89139 [0,0,0,0,0,2|1,1,0]=4 601 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 P12089 [0,0,0,0,0,2|1,1,0]=4 602 B11R1.20 O=C(O)CC1=NC=C(O)C=C1 W18187 [0,0,0,0,0,2|2,0,0]=4 603 B11R1.75 CC1=CC=C(CCC(=O)O)O1 W18846 [0,0,0,0,0,2|1,1,0]=4 604 B11R1.75 CC1=CC=C(CCC(=O)O)S1 71574 [0,0,0,0,0,2|1,0,0]=3 605 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 Y11318 [0,0,0,0,0,2|2,0,0]=4 606 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 D80704 [0,0,0,0,0,2|2,0,0]=4 607 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 P17359 [0,0,0,0,0,2|2,0,0]=4 608 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 S10096 [0,0,0,0,0,2|2,0,0]=4 609 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 26369 [0,0,0,0,0,2|2,0,0]=4 610 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 57489 [0,0,0,0,0,2|2,0,0]=4 611 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 Y11285 [0,0,0,0,0,2|2,0,0]=4 612 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 39149 [0,0,0,0,0,2|1,1,0]=4 613 B11R1.157 O=C(O)CC1=CC=CC(Br)=N1 C71333 [0,0,0,0,0,2|1,1,0]=4 614 B11R1.157 O=C(O)CC1=CC=CC(Cl)=N1 F14480 [0,0,0,0,0,2|1,0,0]=3 615 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 P10854 [0,0,0,0,0,2|1,1,0]=4 616 B11R1.157 O=C(O)CC1=CN=CC(Cl)=N1 26805 [0,0,0,0,0,2|1,0,0]=3 617 B11R1.157 O=C(O)CC1=NC=CC(Br)=C1 C71755 [0,0,0,0,0,2|1,1,0]=4