0 B9R1.35 CC(=O)C1=CC(Br)=CS1 P10187 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)C1=CC(C)=CS1 D71110 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CC(=O)C1=CC(Cl)=CS1 23254 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC(=O)C1=CC=C(C)O1 28464 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 CC(=O)C1=CC=C(C)S1 23304 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 CC(=O)C1=CN(C)C=C1 D87533 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 CC(=O)C1=CN(C)N=C1 Y10380 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 CC(=O)C1=NC(C)=CS1 78610 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 CC(=O)N1C=C(I)C=N1 28193 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.35 CC(C)C1=NNC(N)=C1 51349 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.35 CC1=CC(C(=O)Cl)=NO1 29720 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.35 CC1=CC(C(=O)O)=CN1 26248 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.35 CC1=CC(C(=O)O)=NN1 CL3431 [0,0,0,0,0,0|0,0,0]=0 13 B9R1.35 CC1=CC(C(=O)O)=NO1 28331 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.35 CC1=CC(C(F)F)=NN1 F10451 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.35 CC1=CC(C(N)=O)=NO1 24771 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.35 CC1=CC([N+](=O)[O-])=NN1 85048 [0,0,0,0,0,0|1,0,1]=2 17 B9R1.35 CC1=CC=C(C(=O)O)N1 O11470 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.35 CC1=CC=C(C(=O)O)O1 33208 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.35 CC1=CC=C(C(=O)O)S1 F11216 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.35 CC1=CN=C(C(=O)O)S1 BL001513 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.35 CC1=CNC(C(=O)O)=C1 59367 [0,0,0,0,0,0|1,0,1]=2 22 B9R1.35 CC1=CSC(B(O)O)=C1 F11801 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.35 CC1=CSC(C(=O)O)=C1 CL9298 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.35 CC1=CSC(C(=O)O)=N1 69756 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.35 CC1=NC(C(=O)O)=CN1 24690 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.35 CC1=NC(C(=O)O)=CO1 69012 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.35 CC1=NC(C(=O)O)=CS1 69867 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.35 CC1=NC(C(=O)[O-])=NO1 80209 [0,0,0,0,0,0|2,0,1]=3 29 B9R1.35 CC1=NC([N+](=O)[O-])=CN1 44415 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.35 CC1=NC=C(C(=O)O)S1 35338 [0,0,0,0,0,0|2,0,1]=3 31 B9R1.35 CC1=NN=C(C(=O)[O-])O1 65656 [0,0,0,0,0,0|1,0,2]=3 32 B9R1.35 CC1=NNC(C(=O)O)=C1 34014 [0,0,0,0,0,0|0,0,2]=2 33 B9R1.35 CC1=NNC([N+](=O)[O-])=C1 23463 [0,0,0,0,0,0|1,0,3]=4 34 B9R1.35 CC1=NOC(C(=O)O)=C1 CL3463 [0,0,0,0,0,0|1,0,1]=2 35 B9R1.35 CN1C=C(C(=O)O)C=N1 82979 [0,0,0,0,0,0|2,0,1]=3 36 B9R1.35 CN1C=C(C(N)=O)C=N1 D97607 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.35 CN1C=CC(C(=O)O)=N1 34655 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.35 CN1C=NC(C(=O)O)=C1 35173 [0,0,0,0,0,0|2,0,0]=2 39 B9R1.35 CN1C=NC([N+](=O)[O-])=C1 CL2229 [0,0,0,0,0,0|3,0,1]=4 40 B9R1.35 NC(=O)C1=CSC(Br)=C1 F52622 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.35 NC(=O)C1=NNC(N)=C1 31823 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.35 NC1=CC(C(=O)O)=NN1 30226 [0,0,0,0,0,0|1,0,0]=1 43 B9R1.35 NC1=NC(C(=O)O)=CS1 AB1129 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.35 NC1=NC(C(=O)O)=CS1 AB2631 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.35 NC1=NC=C(C(=O)O)S1 34663 [0,0,0,0,0,0|3,0,1]=4 46 B9R1.35 NC1=NNC(C(=O)O)=N1 F14876 [0,0,0,0,0,0|2,0,2]=4 47 B9R1.35 NN1C=C(C(=O)O)CS1 29247 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.35 O=C(O)C1=CC(Br)=CN1 CL2806 [0,0,0,0,0,0|2,0,1]=3 49 B9R1.35 O=C(O)C1=CC(Br)=CS1 54466 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.35 O=C(O)C1=CC(O)=NO1 11160 [0,0,0,0,0,0|2,0,1]=3 51 B9R1.35 O=C(O)C1=CC=C(Br)O1 FD17049 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.35 O=C(O)C1=CC=C(Br)S1 76236 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CL8867 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.35 O=C(O)C1=CC=C(Cl)S1 37624 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.35 O=C(O)C1=CN=C(Br)S1 CL2509 [0,0,0,0,0,0|3,0,1]=4 56 B9R1.35 O=C(O)C1=CN=C(Cl)S1 28365 [0,0,0,0,0,0|3,0,1]=4 57 B9R1.35 O=C(O)C1=CNC(O)=N1 F31133 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.35 O=C(O)C1=COC(Br)=C1 31115 [0,0,0,0,0,0|3,0,0]=3 59 B9R1.35 O=C(O)C1=COC(Br)=N1 27561 [0,0,0,0,0,0|4,0,0]=4 60 B9R1.35 O=C(O)C1=CSC(Br)=C1 55810 [0,0,0,0,0,0|3,0,0]=3 61 B9R1.35 O=C(O)C1=CSC(Br)=N1 23823 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.35 O=C(O)C1=CSC(Cl)=N1 VT1399 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.35 O=C(O)C1=NC(Br)=CS1 51377 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.35 O=C(O)C1=NNC(Br)=C1 20417 [0,0,0,0,0,0|1,0,0]=1 65 B9R1.35 O=C(O)C1=NNC(Br)=N1 26332 [0,0,0,0,0,0|2,0,0]=2 66 B9R1.35 O=C(O)C1=NNC(Cl)=N1 26328 [0,0,0,0,0,0|2,0,0]=2 67 B9R1.35 O=C1C=C(C(=O)O)CC1 D82157 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P10333 [0,0,0,0,0,0|2,0,2]=4 69 B8R1.1 CC1=CC(C#N)=NO1 24768 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.1 CC1=CC(C=O)=NO1 29715 [1,0,0,0,0,0|1,0,0]=2 71 B8R1.1 CC1=CC(CN)=NO1 29741 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.1 CC1=CC(CN)=NO1 71216 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.1 CC1=CC(CO)=NO1 TD8128 [1,0,0,0,0,0|1,0,1]=3 74 B8R1.1 CC1=CC=C(C=O)O1 AC7802 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.1 CC1=CC=C(C=O)S1 F11208 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.1 CC1=CSC(C=O)=C1 F10375 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.1 CC1=CSC(C=O)=N1 78529 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.1 CC1=CSC(CO)=C1 30206 [1,0,0,0,0,0|2,0,1]=4 79 B8R1.1 CC1=NC(C=O)=CN1 79259 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.1 CC1=NC(C=O)=CO1 64592 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.1 CC1=NC(C=O)=CS1 24082 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.1 CC1=NC(CO)=NO1 F13043 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.1 CC1=NC=C(C=O)S1 24244 [1,0,0,0,0,0|2,0,1]=4 84 B8R1.1 CC1=NN=C(CO)O1 F30282 [1,0,0,0,0,0|1,0,2]=4 85 B8R1.1 CC1=NNC(C=O)=C1 71136 [1,0,0,0,0,0|0,0,2]=3 86 B8R1.1 CC1=NOC(C=O)=C1 52031 [1,0,0,0,0,0|1,0,1]=3 87 B8R1.1 CC1=NOC(CO)=C1 F52509 [1,0,0,0,0,0|1,0,2]=4 88 B8R1.1 CCC1=NNC(N)=C1 50999 [1,0,0,0,0,0|2,0,1]=4 89 B8R1.1 CN1C=C(C=O)C=N1 81674 [1,0,0,0,0,0|2,0,1]=4 90 B8R1.1 CN1C=NC(C=O)=C1 38399 [1,0,0,0,0,0|2,0,0]=3 91 B8R1.1 CN1C=NC(CO)=C1 83431 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.1 O=CC1=CC(Br)=CN1 24720 [1,0,0,0,0,0|2,0,1]=4 93 B8R1.1 O=CC1=CC(Br)=CO1 54612 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.1 O=CC1=CC(Br)=CS1 21502 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.1 O=CC1=CC(I)=CN1 C74720 [1,0,0,0,0,0|2,0,1]=4 96 B8R1.1 O=CC1=NC=C(Br)S1 FD9072 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.7 CC(=O)C1=CC=CN1 F14878 [1,0,0,0,0,0|2,0,1]=4 98 B8R1.7 CC(=O)C1=CC=CO1 55774 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.7 CC(=O)C1=CC=CS1 W18336 [1,0,0,0,0,0|3,0,0]=4 100 B8R1.7 CC(=O)C1=CCC=C1 TD8050 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.7 CC(=O)C1=CNC=C1 30137 [1,0,0,0,0,0|2,0,0]=3 102 B8R1.7 CC(=O)C1=CNC=N1 50330 [1,0,0,0,0,0|3,0,0]=4 103 B8R1.7 CC(=O)C1=COC=C1 N12485 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.7 CC(=O)C1=CSC=C1 50448 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.7 CC(=O)C1=CSC=N1 23438 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.7 CC(=O)C1=NC=CN1 50314 [1,0,0,0,0,0|3,0,0]=4 107 B8R1.7 CC(=O)C1=NC=CS1 F11223 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.7 CC(=O)C1=NNC=C1 36103 [1,0,0,0,0,0|1,0,0]=2 109 B8R1.7 CC(=O)C1=NNC=C1 D94907 [1,0,0,0,0,0|1,0,0]=2 110 B8R1.7 CC(=O)N1C=CC=N1 65440 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.7 CC(C)C1=NNC=C1 84161 [1,0,0,0,0,0|2,0,1]=4 112 B8R1.7 NC(=O)C1=CC=CN1 D83540 [1,0,0,0,0,0|2,0,1]=4 113 B8R1.7 NC(=O)C1=CC=CO1 A51100 [1,0,0,0,0,0|3,0,0]=4 114 B8R1.7 NC(=O)C1=CC=CS1 D85795 [1,0,0,0,0,0|3,0,0]=4 115 B8R1.7 NC(=O)C1=CNC=N1 S10625 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.7 NC(=O)C1=CNN=C1 88190 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.7 NC(=O)C1=CSC=N1 W10298 [1,0,0,0,0,0|3,0,0]=4 118 B8R1.7 NC(=O)C1=NC=CN1 O10408 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.7 NC(=O)C1=NC=CO1 74132 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.7 NC(=O)C1=NNC=C1 CL3448 [1,0,0,0,0,0|1,0,0]=2 121 B8R1.7 O=C(Cl)C1=CC=CS1 D78154 [1,0,0,0,0,0|3,0,0]=4 122 B8R1.7 O=C(Cl)C1=CC=NO1 D82349 [1,0,0,0,0,0|2,0,1]=4 123 B8R1.7 O=C(O)C1=CC=CN1 33105 [1,0,0,0,0,0|1,0,1]=3 124 B8R1.7 O=C(O)C1=CC=CS1 D70571 [1,0,0,0,0,0|2,0,0]=3 125 B8R1.7 O=C(O)C1=CC=NO1 28558 [1,0,0,0,0,0|1,0,1]=3 126 B8R1.7 O=C(O)C1=CC=NS1 62856 [1,0,0,0,0,0|1,0,1]=3 127 B8R1.7 O=C(O)C1=CCC=C1 36684 [1,0,0,0,0,0|2,0,0]=3 128 B8R1.7 O=C(O)C1=CCCC1 C10074 [1,0,0,0,0,0|2,0,1]=4 129 B8R1.7 O=C(O)C1=CN=CO1 80167 [1,0,0,0,0,0|2,0,1]=4 130 B8R1.7 O=C(O)C1=CN=CS1 69866 [1,0,0,0,0,0|2,0,1]=4 131 B8R1.7 O=C(O)C1=CNC=C1 65414 [1,0,0,0,0,0|1,0,0]=2 132 B8R1.7 O=C(O)C1=CNC=N1 69188 [1,0,0,0,0,0|2,0,0]=3 133 B8R1.7 O=C(O)C1=CNN=C1 65412 [1,0,0,0,0,0|2,0,0]=3 134 B8R1.7 O=C(O)C1=COC=C1 83420 [1,0,0,0,0,0|2,0,0]=3 135 B8R1.7 O=C(O)C1=COC=N1 64870 [1,0,0,0,0,0|2,0,0]=3 136 B8R1.7 O=C(O)C1=COCC1 60301 [1,0,0,0,0,0|3,0,0]=4 137 B8R1.7 O=C(O)C1=CON=C1 25393 [1,0,0,0,0,0|2,0,1]=4 138 B8R1.7 O=C(O)C1=CSC=C1 P17867 [1,0,0,0,0,0|2,0,0]=3 139 B8R1.7 O=C(O)C1=CSC=N1 83445 [1,0,0,0,0,0|2,0,0]=3 140 B8R1.7 O=C(O)C1=CSN=N1 71069 [1,0,0,0,0,0|1,0,1]=3 141 B8R1.7 O=C(O)C1=NC=CN1 CL2211 [1,0,0,0,0,0|2,0,0]=3 142 B8R1.7 O=C(O)C1=NC=CS1 29143 [1,0,0,0,0,0|2,0,0]=3 143 B8R1.7 O=C(O)C1=NNC=C1 CL3512 [1,0,0,0,0,0|0,0,0]=1 144 B8R1.7 O=C(O)C1=NNC=N1 F14915 [1,0,0,0,0,0|1,0,0]=2 145 B8R1.7 O=C(O)C1=NOC=C1 24572 [1,0,0,0,0,0|1,0,0]=2 146 B8R1.7 O=C(O)C1=NON=C1 23711 [1,0,0,0,0,0|2,0,0]=3 147 B8R1.7 O=C(O)[C-]1C=CC=C1 D77984 [1,0,0,0,0,0|2,0,1]=4 148 B8R1.7 O=C(O)[C@@H]1C=CCN1 60104 [1,0,0,0,0,0|1,0,2]=4 149 B8R1.7 O=C(O)[C@@H]1C=CCN1 60105 [1,0,0,0,0,0|1,0,2]=4 150 B8R1.7 O=C([O-])C1=CC=CS1 F16481 [1,0,0,0,0,0|2,0,1]=4 151 B8R1.7 O=C([O-])C1=CC=CS1 H10133 [1,0,0,0,0,0|2,0,1]=4 152 B8R1.7 O=C([O-])C1=NC=CO1 57409 [1,0,0,0,0,0|2,0,1]=4 153 B8R1.7 O=[N+]([O-])C1=NNC=C1 28978 [1,0,0,0,0,0|1,0,1]=3 154 B8R1.7 O=[N+]([O-])C1=NNC=N1 AT11942 [1,0,0,0,0,0|2,0,1]=4 155 B10R1.14 CC1=CC(C(=O)NN)=CS1 D86469 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.14 CC1=CC(C(=O)NN)=NN1 W15798 [0,1,0,0,0,0|1,0,0]=2 157 B10R1.14 CC1=CC(C(=O)NN)=NO1 20661 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.14 CC1=NNC(C(=O)NN)=C1 AT10954 [0,1,0,0,0,0|1,0,2]=4 159 B10R1.14 COC(=O)C1=CC(Br)=CN1 CL2807 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.14 COC(=O)C1=CC(Br)=CO1 25677 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.14 COC(=O)C1=CC(Br)=CS1 25584 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.14 COC(=O)C1=CC(Br)=NN1 D70033 [0,1,0,0,0,0|1,0,2]=4 163 B10R1.14 COC(=O)C1=CC(N)=CS1 26318 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.14 COC(=O)C1=CC(N)=NN1 38195 [0,1,0,0,0,0|1,0,2]=4 165 B10R1.14 COC(=O)C1=CC(O)=NO1 11171 [0,1,0,0,0,0|2,0,1]=4 166 B10R1.14 COC(=O)C1=CC=C(C)N1 F19949 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.14 COC(=O)C1=CC=C(C)O1 Y10250 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.14 COC(=O)C1=CC=C(C)S1 S10433 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.14 COC(=O)C1=CN(C)C=N1 VT1447 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.14 COC(=O)C1=CN=C(C)O1 64594 [0,1,0,0,0,0|2,0,1]=4 171 B10R1.14 COC(=O)C1=CN=C(C)S1 F12364 [0,1,0,0,0,0|2,0,1]=4 172 B10R1.14 COC(=O)C1=COC(C)=N1 49472 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.14 COC(=O)C1=CSC(Br)=C1 P11679 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.14 COC(=O)C1=CSC(C)=N1 S10725 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.14 COC(=O)C1=CSC(Cl)=C1 38490 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.14 COC(=O)C1=NC(C)=CS1 35804 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.14 COC(=O)C1=NC=C(C)O1 P10796 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.14 COC(=O)C1=NN=C(Br)N1 26631 [0,1,0,0,0,0|2,0,1]=4 179 B10R1.14 COC(=O)C1=NNC(Br)=C1 36428 [0,1,0,0,0,0|1,0,0]=2 180 B10R1.14 COC(=O)C1=NNC(C)=C1 F11978 [0,1,0,0,0,0|0,0,0]=1 181 B10R1.14 COC(=O)C1=NNC(N)=N1 23613 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.14 COC(=O)C1=NOC(C)=C1 76675 [0,1,0,0,0,0|1,0,0]=2 183 B10R1.31 CCC1=CC(C(=O)O)=CS1 54988 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.31 CCC1=CC(C(=O)O)=NO1 F11842 [0,1,0,0,0,0|1,0,0]=2 185 B10R1.31 CCC1=NC(C(=O)O)=CO1 W18325 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.31 CSC1=CC=C(C(=O)O)S1 W17807 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.31 CSC1=NC(C(=O)O)=CS1 D82192 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.31 N#CC1=CNC(C(=O)O)=C1 59469 [0,1,0,0,0,0|1,0,2]=4 189 B10R1.31 O=C(O)C1=CC(CO)=CS1 D82538 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.31 O=C(O)C1=CC=C(CO)O1 67726 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.55 CC1=CC(C(F)(F)F)=NN1 N10403 [0,1,0,0,0,0|2,0,1]=4 192 B10R1.58 CC1=C(Br)SC(C(=O)O)=C1 F19706 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.58 CC1=C(C)OC(C(=O)O)=C1 83430 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.58 CC1=C(C)SC(C(=O)O)=N1 S10220 [0,1,0,0,0,0|2,0,0]=3 195 B10R1.58 CC1=CC(C(=O)O)=NN1C 68167 [0,1,0,0,0,0|0,0,0]=1 196 B10R1.58 CC1=CC(C(N)=O)=NN1C AC1278 [0,1,0,0,0,0|1,0,0]=2 197 B10R1.58 CN1N=C(C(=O)O)C=C1O 78449 [0,1,0,0,0,0|1,0,0]=2 198 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 33084 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 91269 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)S1 26271 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 AT17488 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 O10254 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 60580 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.59 CC1=NC(C(=O)O)=C(C)O1 86688 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 36072 [0,1,0,0,0,0|2,0,1]=4 206 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 23323 [0,1,0,0,0,0|2,0,1]=4 207 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 CL3405 [0,1,0,0,0,0|0,0,2]=3 208 B10R1.59 CC1=NN(C)C(C(N)=O)=C1 TD8060 [0,1,0,0,0,0|1,0,2]=4 209 B10R1.59 CC1=NN(C)C=C1C(=O)O 36025 [0,1,0,0,0,0|2,0,1]=4 210 B10R1.59 O=C(O)C1=C(Br)SC(Br)=C1 F17134 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.59 O=C(O)C1=C(Cl)SC(Cl)=C1 23446 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.194 CC1=C(Br)C(C(=O)O)=NN1 K10046 [0,1,0,0,0,0|0,0,0]=1 213 B10R1.194 CC1=C(Br)C([N+](=O)[O-])=NN1 I11064 [0,1,0,0,0,0|1,0,1]=3 214 B10R1.194 CC1=C(C(=O)O)C=CN1C C77030 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.194 CC1=C(C(=O)O)SC=C1Br H10542 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.194 CC1=C(C)C(C(=O)O)=NO1 60346 [0,1,0,0,0,0|1,0,0]=2 217 B10R1.194 CC1=CNC(C(=O)O)=C1C 38037 [0,1,0,0,0,0|1,0,1]=3 218 B10R1.194 CC1=CSC(C(=O)O)=C1Cl W16284 [0,1,0,0,0,0|2,0,0]=3 219 B10R1.194 CC1=NC=C(C(=O)O)N1C W10998 [0,1,0,0,0,0|2,0,1]=4 220 B10R1.194 CN1N=CC(C(=O)O)=C1Cl F17236 [0,1,0,0,0,0|2,0,1]=4 221 B10R1.194 CN1N=CC(C(=O)O)=C1N BL009259 [0,1,0,0,0,0|2,0,1]=4 222 B10R1.194 O=C(O)C1=C(Cl)C(Cl)=NS1 60658 [0,1,0,0,0,0|2,0,1]=4 223 B8R0.9 CNC(=O)\C=C/C(=O)O D91423 [0,0,1,0,0,0|2,0,0]=3 224 B8R0.9 COC(=O)\C=C\C(=O)O A11518 [0,0,1,0,0,0|3,0,0]=4 225 B8R0.23 C=C(NC(C)=O)C(=O)O F20437 [0,0,1,0,0,0|3,0,0]=4 226 B8R0.23 C\C(=C/C(C)C)C(=O)O D83819 [0,0,1,0,0,0|2,0,1]=4 227 B8R0.23 C\C(=C\C(=O)O)C(=O)O D95321 [0,0,1,0,0,0|3,0,0]=4 228 B8R0.28 CC(=O)NCCC(=O)O 50398 [0,0,1,0,0,0|2,0,1]=4 229 B8R1.23 O=C1C[C@@H](C(=O)O)N1 31388 [0,0,0,0,1,0|1,0,2]=4 230 B10R1.13 CC(=O)C1=CC=C(C)C=C1 D70502 [0,0,0,0,0,1|3,0,0]=4 231 B10R1.13 CC(=O)C1=CN=C(C)C=C1 24573 [0,0,0,0,0,1|2,0,1]=4 232 B10R1.13 CC(=O)C1=CN=C(Cl)C=N1 25655 [0,0,0,0,0,1|3,0,0]=4 233 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 56961 [0,0,0,0,0,1|3,0,0]=4 234 B10R1.13 CC(=O)C1=NC=C(C)C=C1 AB1019 [0,0,0,0,0,1|2,0,0]=3 235 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 80291 [0,0,0,0,0,1|3,0,0]=4 236 B10R1.13 CC(=O)C1=NC=C(F)C=C1 D82396 [0,0,0,0,0,1|3,0,0]=4 237 B10R1.13 CC(=O)C1=NC=C(F)C=N1 79117 [0,0,0,0,0,1|3,0,0]=4 238 B10R1.13 CC1=CC=C(C(=N)N)N=N1 D83452 [0,0,0,0,0,1|2,0,1]=4 239 B10R1.13 CC1=CC=C(C(=O)O)C=C1 D70680 [0,0,0,0,0,1|2,0,0]=3 240 B10R1.13 CC1=CC=C(C(N)=O)C=C1 35410 [0,0,0,0,0,1|3,0,0]=4 241 B10R1.13 CC1=CN=C(C(=O)O)C=C1 23515 [0,0,0,0,0,1|1,0,0]=2 242 B10R1.13 CC1=CN=C(C(=O)O)C=C1 C13862 [0,0,0,0,0,1|1,0,0]=2 243 B10R1.13 CC1=CN=C(C(=O)O)C=N1 89310 [0,0,0,0,0,1|1,0,0]=2 244 B10R1.13 CC1=CN=C(C(N)=O)C=N1 88782 [0,0,0,0,0,1|2,0,0]=3 245 B10R1.13 CC1=CN=C([N+](=O)[O-])C=C1 25566 [0,0,0,0,0,1|2,0,1]=4 246 B10R1.13 CC1=NC=C(C(=O)O)C=C1 78731 [0,0,0,0,0,1|1,0,1]=3 247 B10R1.13 CC1=NC=C(C(=O)O)C=N1 CL1902 [0,0,0,0,0,1|1,0,1]=3 248 B10R1.13 CC1=NC=C(C(N)=O)C=C1 AB2935 [0,0,0,0,0,1|2,0,1]=4 249 B10R1.13 CC1=NN=C(C(=O)O)C=C1 51799 [0,0,0,0,0,1|0,0,1]=2 250 B10R1.13 NC(=O)C1=CN=C(Cl)C=N1 35602 [0,0,0,0,0,1|3,0,0]=4 251 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 BL003043 [0,0,0,0,0,1|3,0,0]=4 252 B10R1.13 NC(=O)C1=NC=C(Br)C=N1 26440 [0,0,0,0,0,1|3,0,0]=4 253 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 F51214 [0,0,0,0,0,1|3,0,0]=4 254 B10R1.13 NC(=O)C1=NC=C(F)C=C1 H10045 [0,0,0,0,0,1|3,0,0]=4 255 B10R1.13 NC(=O)C1=NC=C(O)C=C1 P11310 [0,0,0,0,0,1|3,0,0]=4 256 B10R1.13 NC(=O)C1=NN=C(Cl)C=C1 25997 [0,0,0,0,0,1|2,0,1]=4 257 B10R1.13 NC(=O)C1=NN=C(N)C=C1 37899 [0,0,0,0,0,1|2,0,1]=4 258 B10R1.13 NC1=CC=C(C(=O)O)C=C1 20052 [0,0,0,0,0,1|3,0,0]=4 259 B10R1.13 NC1=CN=C(C(=O)O)C=C1 20196 [0,0,0,0,0,1|2,0,0]=3 260 B10R1.13 NC1=CN=C(C(=O)O)C=N1 RB3194 [0,0,0,0,0,1|2,0,0]=3 261 B10R1.13 NC1=NC=C(C(=O)O)C=C1 CL1029 [0,0,0,0,0,1|2,0,1]=4 262 B10R1.13 NC1=NC=C(C(=O)O)C=N1 20118 [0,0,0,0,0,1|2,0,1]=4 263 B10R1.13 NC1=NN=C(C(=O)O)C=C1 20191 [0,0,0,0,0,1|1,0,1]=3 264 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 AB10302 [0,0,0,0,0,1|3,0,0]=4 265 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 D77513 [0,0,0,0,0,1|3,0,0]=4 266 B10R1.13 O=C(O)C1=CC=C(F)C=C1 D70922 [0,0,0,0,0,1|3,0,0]=4 267 B10R1.13 O=C(O)C1=CC=C(I)C=C1 D70923 [0,0,0,0,0,1|3,0,0]=4 268 B10R1.13 O=C(O)C1=CC=C(O)C=C1 D86505 [0,0,0,0,0,1|3,0,0]=4 269 B10R1.13 O=C(O)C1=CC=C(S)C=C1 22131 [0,0,0,0,0,1|3,0,0]=4 270 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 56134 [0,0,0,0,0,1|2,0,1]=4 271 B10R1.13 O=C(O)C1=CN=C(Br)C=N1 RB3133 [0,0,0,0,0,1|2,0,0]=3 272 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 CX1097 [0,0,0,0,0,1|2,0,1]=4 273 B10R1.13 O=C(O)C1=CN=C(Cl)C=N1 RB3034 [0,0,0,0,0,1|2,0,0]=3 274 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 57263 [0,0,0,0,0,1|2,0,1]=4 275 B10R1.13 O=C(O)C1=CN=C(F)C=C1 11221 [0,0,0,0,0,1|2,0,1]=4 276 B10R1.13 O=C(O)C1=CN=C(O)C=C1 CX1100 [0,0,0,0,0,1|2,0,1]=4 277 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 56132 [0,0,0,0,0,1|2,0,0]=3 278 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 23833 [0,0,0,0,0,1|2,0,0]=3 279 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 FD17030 [0,0,0,0,0,1|2,0,0]=3 280 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 27137 [0,0,0,0,0,1|2,0,0]=3 281 B10R1.13 O=C(O)C1=NC=C(F)C=C1 22539 [0,0,0,0,0,1|2,0,0]=3 282 B10R1.13 O=C(O)C1=NC=C(O)C=C1 32448 [0,0,0,0,0,1|2,0,0]=3 283 B10R1.13 O=C(O)C1=NC=C(O)C=C1 CX1286 [0,0,0,0,0,1|2,0,0]=3 284 B10R1.13 O=C(O)C1=NC=C(O)C=C1 W10240 [0,0,0,0,0,1|2,0,0]=3 285 B10R1.13 O=C(O)C1=NC=C(O)N=C1 62307 [0,0,0,0,0,1|2,0,0]=3 286 B10R1.13 O=C(O)C1=NN=C(Cl)C=C1 57277 [0,0,0,0,0,1|1,0,1]=3 287 B10R1.13 O=C(O)C1=NN=C(O)C=C1 20193 [0,0,0,0,0,1|1,0,1]=3 288 B10R1.13 O=C(O)C1=NN=C(O)C=C1 23421 [0,0,0,0,0,1|1,0,1]=3 289 B10R1.13 O=C1C=CC(C(=O)O)=CO1 38123 [0,0,0,0,0,1|3,0,0]=4 290 B10R1.13 O=C1C=C[C@@H](C(=O)O)N=N1 O11624 [0,0,0,0,0,1|1,0,2]=4 291 B10R1.13 O=C1CCC(C(=O)O)=NN1 28549 [0,0,0,0,0,1|1,0,1]=3 292 B10R1.54 CC(=O)NC1=NNC(C)=C1 W12887 [0,0,0,0,0,1|1,0,0]=2 293 B10R1.54 CC1=NC(CC(=O)O)=CS1 71392 [0,0,0,0,0,1|3,0,0]=4 294 B10R1.54 CC1=NOC(CC(=O)O)=C1 73992 [0,0,0,0,0,1|1,0,1]=3 295 B10R1.54 NC1=NN=C(CC(=O)O)N1 C72711 [0,0,0,0,0,1|2,0,1]=4 296 B10R1.54 O=C(O)CC1=CC(Br)=CS1 D97326 [0,0,0,0,0,1|3,0,0]=4 297 B10R1.54 O=C(O)CN1C=C(Br)C=N1 F14589 [0,0,0,0,0,1|3,0,0]=4 298 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 71412 [0,0,0,0,0,1|3,0,0]=4 299 B10R1.113 CC(=O)C1=CC(C)=CC=C1 28342 [0,0,0,0,0,1|3,0,0]=4 300 B10R1.113 CC(=O)C1=CN=CC(C)=C1 I11175 [0,0,0,0,0,1|2,0,0]=3 301 B10R1.113 CC(=O)C1=NC=CC(C)=C1 AB1018 [0,0,0,0,0,1|2,0,0]=3 302 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 72047 [0,0,0,0,0,1|3,0,0]=4 303 B10R1.113 CC(=O)C1=NC=NC(C)=C1 FD13029 [0,0,0,0,0,1|1,0,1]=3 304 B10R1.113 CC1=CC(B(O)O)=CN=C1 24597 [0,0,0,0,0,1|2,0,1]=4 305 B10R1.113 CC1=CC(C(=O)O)=CN=C1 63156 [0,0,0,0,0,1|1,0,0]=2 306 B10R1.113 CC1=CC(C(=O)O)=NC=C1 59430 [0,0,0,0,0,1|1,0,0]=2 307 B10R1.113 CC1=CC(C(=O)O)=NC=N1 P10833 [0,0,0,0,0,1|0,0,1]=2 308 B10R1.113 CC1=CC(C(N)=O)=CN=C1 AB11819 [0,0,0,0,0,1|2,0,0]=3 309 B10R1.113 CC1=CC([N+](=O)[O-])=NC=C1 S10244 [0,0,0,0,0,1|2,0,1]=4 310 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 D78225 [0,0,0,0,0,1|3,0,0]=4 311 B10R1.113 CC1=CC=CC(C(=O)O)=C1 D70873 [0,0,0,0,0,1|2,0,0]=3 312 B10R1.113 CC1=CC=CC(C(=O)O)=N1 CL0233 [0,0,0,0,0,1|3,0,0]=4 313 B10R1.113 CC1=CC=NC(C(N)=O)=N1 D82541 [0,0,0,0,0,1|3,0,0]=4 314 B10R1.113 CC1=CN=CC(C(=O)O)=N1 25557 [0,0,0,0,0,1|2,0,0]=3 315 B10R1.113 CC1=CN=CC(C(N)=O)=N1 D80234 [0,0,0,0,0,1|3,0,0]=4 316 B10R1.113 CC1=NC=CC(C(=O)O)=C1 63948 [0,0,0,0,0,1|1,0,1]=3 317 B10R1.113 CC1=NC=CC(C(=O)O)=N1 24979 [0,0,0,0,0,1|2,0,1]=4 318 B10R1.113 CC1=N[C@H](C(=O)O)CCN1 I11596 [0,0,0,0,0,1|2,0,1]=4 319 B10R1.113 C[N+]1=CC=CC(C(=O)O)=C1 42967 [0,0,0,0,0,1|3,0,0]=4 320 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 20585 [0,0,0,0,0,1|3,0,0]=4 321 B10R1.113 NC(=O)C1=CC(F)=CN=C1 29187 [0,0,0,0,0,1|3,0,0]=4 322 B10R1.113 NC(=O)C1=CN=CC(N)=C1 25964 [0,0,0,0,0,1|3,0,0]=4 323 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 39241 [0,0,0,0,0,1|3,0,0]=4 324 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 CL0190 [0,0,0,0,0,1|3,0,0]=4 325 B10R1.113 NC(=O)C1=NC=CC(F)=C1 30416 [0,0,0,0,0,1|3,0,0]=4 326 B10R1.113 NC1=CC(C(=O)O)=CN=C1 23148 [0,0,0,0,0,1|2,0,0]=3 327 B10R1.113 NC1=CC(C(=O)O)=NC=C1 31876 [0,0,0,0,0,1|2,0,0]=3 328 B10R1.113 NC1=CC(C(=O)O)=NC=C1 36296 [0,0,0,0,0,1|2,0,0]=3 329 B10R1.113 NC1=CC(C(=O)O)=NC=C1 CL0353 [0,0,0,0,0,1|2,0,0]=3 330 B10R1.113 NC1=CC(C(=O)O)=NC=N1 D84123 [0,0,0,0,0,1|1,0,1]=3 331 B10R1.113 NC1=CC=CC(C(=O)O)=C1 D70484 [0,0,0,0,0,1|3,0,0]=4 332 B10R1.113 NC1=NC=CC(C(=O)O)=C1 20144 [0,0,0,0,0,1|2,0,1]=4 333 B10R1.113 O=C(Cl)C1=CC(Br)=CN=C1 A10427 [0,0,0,0,0,1|3,0,0]=4 334 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 AB6459 [0,0,0,0,0,1|2,0,0]=3 335 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 52660 [0,0,0,0,0,1|2,0,1]=4 336 B10R1.113 O=C(O)C1=CC(Cl)=CN=C1 33164 [0,0,0,0,0,1|2,0,0]=3 337 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 P16537 [0,0,0,0,0,1|2,0,1]=4 338 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 P10631 [0,0,0,0,0,1|1,0,1]=3 339 B10R1.113 O=C(O)C1=CC(Cl)=NN=C1 38772 [0,0,0,0,0,1|1,0,1]=3 340 B10R1.113 O=C(O)C1=CC(F)=CN=C1 82240 [0,0,0,0,0,1|2,0,0]=3 341 B10R1.113 O=C(O)C1=CC(F)=NC=C1 22391 [0,0,0,0,0,1|2,0,1]=4 342 B10R1.113 O=C(O)C1=CC(I)=CN=C1 26596 [0,0,0,0,0,1|2,0,0]=3 343 B10R1.113 O=C(O)C1=CC(I)=NC=C1 A10522 [0,0,0,0,0,1|2,0,1]=4 344 B10R1.113 O=C(O)C1=CC(O)=NC=C1 62227 [0,0,0,0,0,1|2,0,1]=4 345 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 22039 [0,0,0,0,0,1|3,0,0]=4 346 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 AC7860 [0,0,0,0,0,1|3,0,0]=4 347 B10R1.113 O=C(O)C1=CC=CC(F)=C1 AC7508 [0,0,0,0,0,1|3,0,0]=4 348 B10R1.113 O=C(O)C1=CC=CC(I)=C1 36348 [0,0,0,0,0,1|3,0,0]=4 349 B10R1.113 O=C(O)C1=CC=CC(S)=C1 C10086 [0,0,0,0,0,1|3,0,0]=4 350 B10R1.113 O=C(O)C1=CN=CC(Br)=N1 Y10050 [0,0,0,0,0,1|3,0,0]=4 351 B10R1.113 O=C(O)C1=CN=CC(Cl)=N1 RB3064 [0,0,0,0,0,1|3,0,0]=4 352 B10R1.113 O=C(O)C1=CN=CC(O)=C1 69574 [0,0,0,0,0,1|2,0,0]=3 353 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 54504 [0,0,0,0,0,1|2,0,0]=3 354 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 57846 [0,0,0,0,0,1|2,0,0]=3 355 B10R1.113 O=C(O)C1=NC=CC(I)=C1 CL0291 [0,0,0,0,0,1|2,0,0]=3 356 B10R1.113 O=C(O)C1=NC=CC(O)=C1 52376 [0,0,0,0,0,1|2,0,0]=3 357 B10R1.113 O=C(O)C1=NC=NC(O)=C1 63339 [0,0,0,0,0,1|1,0,1]=3 358 B10R1.113 O=C1C=C(C(=O)O)C=NN1 25957 [0,0,0,0,0,1|1,0,0]=2 359 B10R1.113 O=C1C=COC(C(=O)O)=C1 78186 [0,0,0,0,0,1|3,0,0]=4 360 B10R1.113 O=C1C=NC=C(C(=O)O)N1 O11623 [0,0,0,0,0,1|3,0,0]=4 361 B7R0.5 CC\C=C(/C)C(=O)O D78175 [1,0,1,0,0,0|1,0,1]=4 362 B7R0.5 CO\N=C(/C)C(=O)O D81198 [1,0,1,0,0,0|1,0,1]=4 363 B7R0.6 CC(=O)\C=C\C(=O)O D82816 [1,0,1,0,0,0|1,0,0]=3 364 B7R0.6 CC(C)\C=C\C(=O)O D91297 [1,0,1,0,0,0|1,0,1]=4 365 B7R0.6 NC(=O)\C=C/C(=O)O A11397 [1,0,1,0,0,0|1,0,0]=3 366 B7R0.6 NC(=O)\C=C\C(N)=O 11623 [1,0,1,0,0,0|2,0,0]=4 367 B7R0.6 O=C(O)\C=C\C(=O)O D85166 [1,0,1,0,0,0|2,0,0]=4 368 B7R0.6 O=C([O-])\C=C/C(=O)O D91269 [1,0,1,0,0,0|2,0,0]=4 369 B7R1.1 ClCC1=NNC=C1 29752 [2,0,0,0,0,0|1,0,1]=4 370 B7R1.1 N#CC1=NNC=C1 BL003372 [2,0,0,0,0,0|1,0,1]=4 371 B7R1.1 O=CC1=CC=CN1 61406 [2,0,0,0,0,0|1,0,1]=4 372 B7R1.1 O=CC1=CC=CS1 AC8106 [2,0,0,0,0,0|2,0,0]=4 373 B7R1.1 O=CC1=CCC=C1 F14116 [2,0,0,0,0,0|2,0,0]=4 374 B7R1.1 O=CC1=CNC=C1 65470 [2,0,0,0,0,0|1,0,0]=3 375 B7R1.1 O=CC1=CNC=N1 CL2201 [2,0,0,0,0,0|2,0,0]=4 376 B7R1.1 O=CC1=CNN=C1 24998 [2,0,0,0,0,0|2,0,0]=4 377 B7R1.1 O=CC1=CNN=C1 38080 [2,0,0,0,0,0|2,0,0]=4 378 B7R1.1 O=CC1=COC=C1 61504 [2,0,0,0,0,0|2,0,0]=4 379 B7R1.1 O=CC1=COC=N1 25504 [2,0,0,0,0,0|2,0,0]=4 380 B7R1.1 O=CC1=CSC=C1 24023 [2,0,0,0,0,0|2,0,0]=4 381 B7R1.1 O=CC1=CSC=N1 66630 [2,0,0,0,0,0|2,0,0]=4 382 B7R1.1 O=CC1=NC=CN1 69187 [2,0,0,0,0,0|2,0,0]=4 383 B7R1.1 O=CC1=NC=CO1 64760 [2,0,0,0,0,0|2,0,0]=4 384 B7R1.1 O=CC1=NC=CS1 TD8063 [2,0,0,0,0,0|2,0,0]=4 385 B7R1.1 O=CC1=NNC=C1 BL001484 [2,0,0,0,0,0|0,0,0]=2 386 B7R1.1 OCC1=NNC=C1 29405 [2,0,0,0,0,0|0,0,1]=3 387 B7R1.1 OCC1=NOC=C1 26711 [2,0,0,0,0,0|1,0,1]=4 388 B7R1.2 BrC1=CC(Br)=NN1 P17315 [2,0,0,0,0,0|2,0,0]=4 389 B7R1.2 CC1=CC(=O)CC1 H10654 [2,0,0,0,0,0|2,0,0]=4 390 B7R1.2 CC1=CC(Br)=NN1 25205 [2,0,0,0,0,0|1,0,0]=3 391 B7R1.2 CC1=CC(Br)=NO1 W10495 [2,0,0,0,0,0|2,0,0]=4 392 B7R1.2 CC1=CC(C)=NN1 P19711 [2,0,0,0,0,0|0,0,1]=3 393 B7R1.2 CC1=CC(C)=NO1 75710 [2,0,0,0,0,0|1,0,1]=4 394 B7R1.2 CC1=CC(I)=NN1 P13869 [2,0,0,0,0,0|1,0,0]=3 395 B7R1.2 CC1=CC(N)=NO1 52801 [2,0,0,0,0,0|2,0,0]=4 396 B7R1.2 CC1=CC(O)=NN1 A50988 [2,0,0,0,0,0|0,0,0]=2 397 B7R1.2 CC1=CC(O)=NO1 78261 [2,0,0,0,0,0|1,0,0]=3 398 B7R1.2 CC1=CNC(C)=C1 28362 [2,0,0,0,0,0|1,0,1]=4 399 B7R1.2 CC1=NN=C(O)S1 E10313 [2,0,0,0,0,0|1,0,1]=4 400 B7R1.2 CC1=NNC(Br)=C1 36545 [2,0,0,0,0,0|1,0,1]=4 401 B7R1.2 CC1=NNC(C)=N1 37269 [2,0,0,0,0,0|1,0,1]=4 402 B7R1.2 CC1=NNC(Cl)=C1 20413 [2,0,0,0,0,0|1,0,1]=4 403 B7R1.2 CC1=NNC(N)=C1 51350 [2,0,0,0,0,0|1,0,1]=4 404 B7R1.2 CC1=NNC(O)=C1 P10123 [2,0,0,0,0,0|0,0,2]=4 405 B7R1.2 NC1=CC(=O)N=N1 D97375 [2,0,0,0,0,0|1,0,1]=4 406 B7R1.2 NC1=CC(Br)=NN1 38014 [2,0,0,0,0,0|2,0,0]=4 407 B7R1.2 NC1=CC(Cl)=NN1 37845 [2,0,0,0,0,0|2,0,0]=4 408 B7R1.2 NC1=CC(O)=NN1 F31400 [2,0,0,0,0,0|1,0,0]=3 409 B7R1.2 NC1=NNC(Br)=C1 25773 [2,0,0,0,0,0|2,0,0]=4 410 B7R1.2 NC1=NNC(Br)=C1 D78148 [2,0,0,0,0,0|2,0,0]=4 411 B7R1.2 NC1=NNC(O)=C1 38193 [2,0,0,0,0,0|2,0,0]=4 412 B9R1.22 CC1=CC(C=O)=C(C)S1 D70135 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.22 CC1=NN(C)C(C=O)=C1 30125 [1,1,0,0,0,0|0,0,2]=4 414 B9R1.23 CC1=C(C)SC(C=O)=N1 25770 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.23 CC1=CC(C=O)=NN1C H11470 [1,1,0,0,0,0|0,0,0]=2 416 B9R1.23 CC1=CC(CN)=NN1C 29739 [1,1,0,0,0,0|1,0,1]=4 417 B9R1.23 CC1=CC(CO)=NN1C 77742 [1,1,0,0,0,0|0,0,1]=3 418 B9R1.23 CNC1=NN(C)C(C)=C1 72000 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.11 COC(=O)C1=CC=CN1 CL2801 [1,1,0,0,0,0|1,0,1]=4 420 B9R1.11 COC(=O)C1=CC=CO1 D78223 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.11 COC(=O)C1=CC=CS1 20523 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.11 COC(=O)C1=CC=NN1 P10300 [1,1,0,0,0,0|0,0,2]=4 423 B9R1.11 COC(=O)C1=CNC=C1 CL2812 [1,1,0,0,0,0|1,0,0]=3 424 B9R1.11 COC(=O)C1=CNC=N1 64348 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.11 COC(=O)C1=CNN=C1 28997 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.11 COC(=O)C1=CNN=C1 C90619 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.11 COC(=O)C1=CNN=N1 31005 [1,1,0,0,0,0|1,0,1]=4 428 B9R1.11 COC(=O)C1=COC=C1 D90674 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.11 COC(=O)C1=CSC=C1 74929 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.11 COC(=O)C1=CSC=N1 CL2511 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.11 COC(=O)C1=NC=CN1 25714 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.11 COC(=O)C1=NC=CS1 32639 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.11 COC(=O)C1=NNC=C1 24392 [1,1,0,0,0,0|0,0,0]=2 434 B9R1.11 COC(=O)C1=NNC=N1 F14150 [1,1,0,0,0,0|1,0,0]=3 435 B9R1.11 COC(=O)C1=NNN=C1 O11878 [1,1,0,0,0,0|1,0,0]=3 436 B9R1.11 NNC(=O)C1=NNC=N1 H10001 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.41 CC1=C(C(=O)O)C=CO1 33431 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.41 CC1=C(C(=O)O)C=CS1 83433 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.41 CC1=C(C(=O)O)C=NN1 F31191 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.41 CC1=C(C(=O)O)N=CO1 68173 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.41 CC1=C(C(=O)O)N=CS1 BL001514 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.41 CC1=C(C(=O)O)NC=C1 59364 [1,1,0,0,0,0|1,0,1]=4 443 B9R1.41 CC1=C(C(=O)O)OC=C1 33433 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.41 CC1=C(C(=O)O)ON=C1 29932 [1,1,0,0,0,0|1,0,1]=4 445 B9R1.41 CC1=C(C(=O)O)SC=C1 75872 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.41 CC1=CNN=C1C(=O)O 30694 [1,1,0,0,0,0|0,0,0]=2 447 B9R1.41 CC1=CSC=C1C(=O)O 83446 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.41 CC1=NNC=C1C(=O)O 34665 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.41 CC1=NON=C1C(=O)O S12290 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.41 CN1C=CC=C1C(=O)O TD8129 [1,1,0,0,0,0|1,0,1]=4 451 B9R1.41 CN1C=CN=C1C(=O)O 83027 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.41 CN1N=CC=C1C(=O)O 23375 [1,1,0,0,0,0|0,0,2]=4 453 B9R1.41 NC1=C(C(=O)O)C=CS1 83946 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.41 NC1=C(C(=O)O)NN=C1 91421 [1,1,0,0,0,0|0,0,2]=4 455 B9R1.41 NC1=C(C(=O)O)SC=C1 29810 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.41 NC1=CNN=C1C(=O)O F13263 [1,1,0,0,0,0|0,0,0]=2 457 B9R1.41 NC1=NNC=C1C(=O)O 29075 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.41 NC1=NON=C1C(=O)O CL3419 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.41 NC1=NSN=C1C(=O)O 24621 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.41 O=C(O)C1=C(Br)C=CS1 33500 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.41 O=C(O)C1=C(Br)C=NN1 36114 [1,1,0,0,0,0|0,0,2]=4 462 B9R1.41 O=C(O)C1=C(Br)SC=C1 30294 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.41 O=C(O)C1=C(Br)SC=N1 68021 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.41 O=C(O)C1=C(Cl)C=CS1 75807 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.41 O=C(O)C1=C(Cl)NN=C1 36321 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.41 O=C(O)C1=C(F)C=CS1 25680 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.41 O=C(O)C1=C(I)C=NN1 26276 [1,1,0,0,0,0|0,0,2]=4 468 B9R1.41 O=C(O)C1=C(I)OC=C1 W15727 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.41 O=C(O)C1=CSC=C1Br 55568 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.41 O=C(O)C1=NNC=C1Br 23224 [1,1,0,0,0,0|0,0,0]=2 471 B9R1.41 O=[N+]([O-])C1=NNC=C1Br BL009916 [1,1,0,0,0,0|1,0,1]=4 472 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 CK2173 [0,1,0,0,0,1|2,0,0]=4 473 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 F16175 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.3 COC1=CC=C(C(=O)O)C=C1 AB2885 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.3 COC1=CN=C(C(=O)O)C=C1 24332 [0,1,0,0,0,1|1,0,0]=3 476 B11R1.3 COC1=CN=C(C(=O)O)C=N1 RB3245 [0,1,0,0,0,1|1,0,0]=3 477 B11R1.3 COC1=NC=C(C(=O)O)C=C1 76377 [0,1,0,0,0,1|1,0,1]=4 478 B11R1.3 COC1=NC=C(C(=O)O)C=N1 69184 [0,1,0,0,0,1|1,0,1]=4 479 B11R1.3 CSC1=CC=C(C(=O)O)C=C1 FD7312 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.3 CSC1=NC=C(C(=O)O)C=C1 54707 [0,1,0,0,0,1|1,0,1]=4 481 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 69186 [0,1,0,0,0,1|1,0,1]=4 482 B11R1.3 N#CC1=CN=C(C(=O)O)C=C1 CK2603 [0,1,0,0,0,1|1,0,1]=4 483 B11R1.3 NC(=O)C1=NC=C(CO)C=C1 D84449 [0,1,0,0,0,1|2,0,0]=4 484 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 D70590 [0,1,0,0,0,1|2,0,0]=4 485 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 CK2205 [0,1,0,0,0,1|2,0,0]=4 486 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 CK2167 [0,1,0,0,0,1|2,0,0]=4 487 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 RB3326 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 CK2240 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=N1 CL0343 [0,1,0,0,0,1|1,0,1]=4 490 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=N1 C72509 [0,1,0,0,0,1|2,0,0]=4 491 B11R1.21 CC1=C(Br)C=NC(C(=O)O)=C1 26746 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 28850 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.21 CC1=C(C)N=C(C(=O)O)C=N1 O11328 [0,1,0,0,0,1|1,0,0]=3 494 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 CK2203 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 22107 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 O11440 [0,1,0,0,0,1|2,0,0]=4 497 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 O11020 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 22035 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 CL9294 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.21 CC1=CC(C(=O)O)=CN=C1C A12825 [0,1,0,0,0,1|1,0,1]=4 501 B11R1.21 CC1=CC=C(C(=O)O)N=C1Cl 25764 [0,1,0,0,0,1|1,0,0]=3 502 B11R1.21 CC1=CN=C(C(=O)O)C=[N+]1[O-] 23387 [0,1,0,0,0,1|1,0,0]=3 503 B11R1.21 CN1C=C(C(=O)O)C=CC1=O 63164 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.21 CN1N=C(C(=O)O)C=CC1=O P10282 [0,1,0,0,0,1|1,0,0]=3 505 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=N1 O11376 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.21 O=C(O)C1=CC=C(Cl)C(Cl)=N1 22758 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.21 O=C(O)C1=CC=C(F)C(Br)=N1 84491 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=N1 22763 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.21 O=C(O)C1=CNC(=O)C(Br)=C1 83313 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.21 O=C(O)C1=NC(Cl)=C(Br)C=C1 22711 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.21 O=C(O)C1=NC(O)=C(Br)C=C1 26416 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.22 COC(=O)C1=CC=C(C)C=C1 D72468 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.22 COC(=O)C1=CN=C(Br)C=N1 64287 [0,1,0,0,0,1|2,0,0]=4 514 B11R1.22 COC(=O)C1=CN=C(C)C=C1 71007 [0,1,0,0,0,1|1,0,1]=4 515 B11R1.22 COC(=O)C1=CN=C(Cl)C=N1 64288 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 64386 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 52935 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.22 COC(=O)C1=NC=C(C)C=C1 36315 [0,1,0,0,0,1|1,0,0]=3 519 B11R1.22 COC(=O)C1=NC=C(C)N=C1 89311 [0,1,0,0,0,1|1,0,0]=3 520 B11R1.22 COC(=O)C1=NC=C(Cl)C=C1 52894 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.22 COC(=O)C1=NC=C(F)C=C1 36417 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.22 COC(=O)C1=NC=C(I)C=C1 C75123 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.22 COC(=O)C1=NC=C(N)C=C1 52592 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.22 COC(=O)C1=NC=C(N)C=C1 S11696 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.22 COC(=O)C1=NC=C(N)N=C1 26296 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.22 COC(=O)C1=NC=C(N)N=C1 37236 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.22 COC(=O)C1=NC=C(O)C=C1 TD8012 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.22 COC(=O)C1=NC=C(O)N=C1 63306 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.22 COC(=O)C1=NN=C(Cl)C=C1 68236 [0,1,0,0,0,1|1,0,1]=4 530 B11R1.22 COC(=O)C1=NN=C(O)C=C1 37348 [0,1,0,0,0,1|1,0,1]=4 531 B11R1.22 COC(=O)C1=NNC(=O)C=C1 29083 [0,1,0,0,0,1|1,0,0]=3 532 B11R1.166 CC(=O)C1=NC=C(C)N=C1C D81742 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 CL8026 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.166 CC1=CC(Br)=C(C(=O)O)N=C1 24267 [0,1,0,0,0,1|1,0,0]=3 535 B11R1.166 CC1=CC(Br)=CN=C1C(=O)O 56973 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 H10034 [0,1,0,0,0,1|2,0,0]=4 537 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 O11142 [0,1,0,0,0,1|1,0,1]=4 538 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 CL8038 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=N1 26455 [0,1,0,0,0,1|1,0,1]=4 540 B11R1.166 CC1=CC(Cl)=CN=C1C(=O)O 34639 [0,1,0,0,0,1|2,0,0]=4 541 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 22401 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.166 CC1=CC(I)=C(C(=O)O)C=C1 SC5074 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 64149 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 AC7810 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.166 CC1=CC(O)=C(C(=O)O)C=N1 38239 [0,1,0,0,0,1|1,0,1]=4 546 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=N1 CL0085 [0,1,0,0,0,1|1,0,1]=4 547 B11R1.166 CC1=CN=C(C(=O)O)C(C)=C1 52068 [0,1,0,0,0,1|1,0,0]=3 548 B11R1.166 CC1=CN=C(C(N)=O)C(N)=C1 BL006487 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 F11654 [0,1,0,0,0,1|1,0,1]=4 550 B11R1.166 CC1=NC(N)=C(C(=O)O)C=C1 80799 [0,1,0,0,0,1|1,0,1]=4 551 B11R1.166 CC1=NC(O)=C(C(=O)O)C=C1 A51035 [0,1,0,0,0,1|1,0,1]=4 552 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O 30402 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O P10899 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=N1 W16708 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)C=N1 87901 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=N1 22750 [0,1,0,0,0,1|2,0,0]=4 557 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=N1 33598 [0,1,0,0,0,1|2,0,0]=4 558 B11R1.166 O=C(O)C1=C(F)C=C(F)C=N1 80026 [0,1,0,0,0,1|2,0,0]=4 559 B11R1.166 O=C(O)C1=CNC(=S)NC1=O H10119 [0,1,0,0,0,1|2,0,0]=4 560 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl 22749 [0,1,0,0,0,1|2,0,0]=4 561 B11R1.166 O=C(O)C1=NC=C(Br)C=C1F 22621 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1F BL001904 [0,1,0,0,0,1|2,0,0]=4 563 B11R1.166 O=C(O)C1=NC=C(Cl)N=C1Cl 90112 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.39 COC(=O)CC1=CN(C)C=N1 D83284 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.39 COC(=O)CC1=NOC(C)=C1 W10286 [0,1,0,0,0,1|1,0,0]=3 566 B11R1.80 CC1=CC(CC(=O)O)=NN1C 77878 [0,1,0,0,0,1|0,0,0]=2 567 B11R1.314 CC1=CN([C@@H](C)C(=O)O)N=C1 D77109 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.23 COC(=O)C1=CC(=O)NC=C1 24655 [0,1,0,0,0,1|2,0,0]=4 569 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 RB1030 [0,1,0,0,0,1|2,0,0]=4 570 B11R1.23 COC(=O)C1=CC(C)=CC=C1 F20909 [0,1,0,0,0,1|2,0,0]=4 571 B11R1.23 COC(=O)C1=CC(C)=NC=C1 64229 [0,1,0,0,0,1|1,0,1]=4 572 B11R1.23 COC(=O)C1=CC(Cl)=CN=C1 W11186 [0,1,0,0,0,1|2,0,0]=4 573 B11R1.23 COC(=O)C1=CC(Cl)=NC=N1 63342 [0,1,0,0,0,1|1,0,1]=4 574 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 26516 [0,1,0,0,0,1|1,0,1]=4 575 B11R1.23 COC(=O)C1=CC(F)=CN=C1 82671 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.23 COC(=O)C1=CN=CC(C)=C1 29043 [0,1,0,0,0,1|1,0,0]=3 577 B11R1.23 COC(=O)C1=CN=CC(N)=C1 AB3918 [0,1,0,0,0,1|2,0,0]=4 578 B11R1.23 COC(=O)C1=CN=CC(O)=C1 30523 [0,1,0,0,0,1|2,0,0]=4 579 B11R1.23 COC(=O)C1=CN=CC(O)=C1 69583 [0,1,0,0,0,1|2,0,0]=4 580 B11R1.23 COC(=O)C1=CN=NC(O)=C1 W17463 [0,1,0,0,0,1|1,0,1]=4 581 B11R1.23 COC(=O)C1=NC(C)=CC=N1 26604 [0,1,0,0,0,1|2,0,0]=4 582 B11R1.23 COC(=O)C1=NC(C)=CN=C1 51129 [0,1,0,0,0,1|2,0,0]=4 583 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 22618 [0,1,0,0,0,1|2,0,0]=4 584 B11R1.23 COC(=O)C1=NC=CC(C)=C1 W17537 [0,1,0,0,0,1|1,0,0]=3 585 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 CL0195 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.23 COC(=O)C1=NC=CC(F)=C1 H11035 [0,1,0,0,0,1|2,0,0]=4 587 B11R1.23 COC(=O)C1=NC=CC(I)=C1 CL0182 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.23 COC(=O)C1=NC=CC(N)=C1 63176 [0,1,0,0,0,1|2,0,0]=4 589 B11R1.23 COC(=O)C1=NC=CC(O)=C1 F30283 [0,1,0,0,0,1|2,0,0]=4 590 B11R1.23 COC(=O)C1=NC=NC(O)=C1 50199 [0,1,0,0,0,1|1,0,1]=4 591 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=C1 CL8076 [0,1,0,0,0,1|2,0,0]=4 592 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 CL0087 [0,1,0,0,0,1|1,0,1]=4 593 B11R1.74 CC1=CC(C(=O)O)=CC(O)=C1 CL8088 [0,1,0,0,0,1|2,0,0]=4 594 B11R1.74 CC1=CC(C(=O)O)=CC(O)=N1 CL0100 [0,1,0,0,0,1|1,0,1]=4 595 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 72877 [0,1,0,0,0,1|1,0,0]=3 596 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 D71201 [0,1,0,0,0,1|2,0,0]=4 597 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=C1 36312 [0,1,0,0,0,1|2,0,0]=4 598 B11R1.74 CC1=CC(Cl)=NC(C(=O)O)=C1 24356 [0,1,0,0,0,1|1,0,0]=3 599 B11R1.74 CC1=CC(F)=CC(C(=O)O)=C1 22409 [0,1,0,0,0,1|2,0,0]=4 600 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=N1 60068 [0,1,0,0,0,1|2,0,0]=4 601 B11R1.74 O=C(O)C1=NC(Cl)=NC(Cl)=C1 F11650 [0,1,0,0,0,1|1,0,1]=4 602 B11R1.74 O=C(O)C1=NC(O)=NC(O)=C1 D86757 [0,1,0,0,0,1|1,0,1]=4 603 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 D70614 [0,1,0,0,0,1|1,0,1]=4 604 B11R1.159 CC1=CC=CC(C(=O)O)=C1Br 34987 [0,1,0,0,0,1|2,0,0]=4 605 B11R1.159 CC1=CC=CC(C(=O)O)=C1C 23143 [0,1,0,0,0,1|2,0,0]=4 606 B11R1.159 CC1=CC=CC(C(=O)O)=C1Cl CK2171 [0,1,0,0,0,1|2,0,0]=4 607 B11R1.159 CC1=CC=CC(C(=O)O)=C1F CL8044 [0,1,0,0,0,1|2,0,0]=4 608 B11R1.159 CC1=CC=CC(C(=O)O)=C1I 35322 [0,1,0,0,0,1|2,0,0]=4 609 B11R1.159 CC1=CC=CC(C(=O)O)=C1N 26058 [0,1,0,0,0,1|2,0,0]=4 610 B11R1.159 CC1=CC=CC(C(=O)O)=C1O D70635 [0,1,0,0,0,1|2,0,0]=4 611 B11R1.159 NC1=C(Br)C=NC=C1C(=O)O 35475 [0,1,0,0,0,1|2,0,0]=4 612 B11R1.159 NC1=C(Cl)C(C(=O)O)=NC=N1 31566 [0,1,0,0,0,1|1,0,1]=4 613 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=N1 58502 [0,1,0,0,0,1|2,0,0]=4 614 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 CL8030 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 CK2188 [0,1,0,0,0,1|2,0,0]=4 616 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=C1 CL8041 [0,1,0,0,0,1|2,0,0]=4 617 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 67638 [0,1,0,0,0,1|2,0,0]=4 618 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 CL8050 [0,1,0,0,0,1|2,0,0]=4 619 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 26054 [0,1,0,0,0,1|2,0,0]=4 620 B11R1.167 CC1=CC(C(=O)O)=C(O)C=C1 23035 [0,1,0,0,0,1|2,0,0]=4 621 B11R1.167 CC1=CC(C(N)=O)=C(N)N=C1 D82536 [0,1,0,0,0,1|2,0,0]=4 622 B11R1.167 CC1=NC=C(Br)C=C1C(=O)O CL0346 [0,1,0,0,0,1|2,0,0]=4 623 B11R1.167 CC1=NN=C(Cl)C(C(=O)O)=C1 57275 [0,1,0,0,0,1|0,0,1]=3 624 B11R1.167 NC1=NC=C(Br)C=C1C(=O)O AC1527 [0,1,0,0,0,1|2,0,0]=4 625 B11R1.167 NC1=NC=C(Br)C=C1C(=O)O CX1229 [0,1,0,0,0,1|2,0,0]=4 626 B11R1.167 NC1=NC=C(Cl)C=C1C(=O)O 24782 [0,1,0,0,0,1|2,0,0]=4 627 B11R1.167 NC1=NC=C(I)C=C1C(=O)O I10186 [0,1,0,0,0,1|2,0,0]=4 628 B11R1.167 O=C(O)C1=CC(Br)=CN=C1Br 23548 [0,1,0,0,0,1|2,0,0]=4 629 B11R1.167 O=C(O)C1=CC(Br)=CN=C1Cl 53610 [0,1,0,0,0,1|2,0,0]=4 630 B11R1.167 O=C(O)C1=CC(Br)=CN=C1F 23893 [0,1,0,0,0,1|2,0,0]=4 631 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O CL0224 [0,1,0,0,0,1|2,0,0]=4 632 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1Br 34517 [0,1,0,0,0,1|2,0,0]=4 633 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1Cl CL0015 [0,1,0,0,0,1|2,0,0]=4 634 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1F 29088 [0,1,0,0,0,1|2,0,0]=4 635 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1O CL0214 [0,1,0,0,0,1|2,0,0]=4 636 B11R1.167 O=C(O)C1=CC(Cl)=NN=C1Cl 35390 [0,1,0,0,0,1|1,0,1]=4 637 B11R1.167 O=C(O)C1=CC(Cl)=NN=C1O 24719 [0,1,0,0,0,1|1,0,1]=4 638 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl 52503 [0,1,0,0,0,1|2,0,0]=4 639 B11R1.167 O=C(O)C1=CC(I)=CN=C1Cl I11277 [0,1,0,0,0,1|2,0,0]=4 640 B11R1.167 O=C(O)C1=CC(I)=CN=C1O C74987 [0,1,0,0,0,1|2,0,0]=4 641 B11R1.266 CNC1=CC=CC(C(=O)O)=C1 C71644 [0,1,0,0,0,1|2,0,0]=4 642 B11R1.266 CNC1=CC=CC(C(=O)O)=C1 F16160 [0,1,0,0,0,1|2,0,0]=4 643 B11R1.266 COC1=CC(C(=O)O)=CN=C1 23872 [0,1,0,0,0,1|1,0,0]=3 644 B11R1.266 COC1=CC(C(=O)O)=NC=C1 CL0185 [0,1,0,0,0,1|1,0,0]=3 645 B11R1.266 COC1=CC(C(C)=O)=CN=C1 D95054 [0,1,0,0,0,1|2,0,0]=4 646 B11R1.266 COC1=CC(C(N)=O)=NC=C1 D74452 [0,1,0,0,0,1|2,0,0]=4 647 B11R1.266 COC1=CC=CC(C(=O)O)=C1 AB2884 [0,1,0,0,0,1|2,0,0]=4 648 B11R1.266 COC1=NC=CC(C(=O)O)=C1 64204 [0,1,0,0,0,1|1,0,1]=4 649 B11R1.266 CSC1=CC(C(=O)O)=CC=C1 FD7334 [0,1,0,0,0,1|2,0,0]=4 650 B11R1.266 N#CC1=CC(C(=O)O)=CN=C1 F13830 [0,1,0,0,0,1|1,0,1]=4 651 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 83004 [0,1,0,0,0,1|2,0,0]=4 652 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 I11347 [0,1,0,0,0,1|2,0,0]=4 653 B11R1.266 O=C(O)C1=CC=CC(CCl)=C1 28340 [0,1,0,0,0,1|2,0,0]=4 654 B11R1.266 O=C(O)C1=NC=CC(CO)=C1 D76132 [0,1,0,0,0,1|1,0,0]=3 655 B11R1.15 CCOC(=O)C1=CC(C)=NN1 29262 [0,2,0,0,0,0|0,0,2]=4 656 B11R1.15 CCOC(=O)C1=CN(C)C=N1 30374 [0,2,0,0,0,0|2,0,0]=4 657 B11R1.15 CCOC(=O)C1=NNC(=O)C1 P10033 [0,2,0,0,0,0|1,0,1]=4 658 B11R1.15 CCOC(=O)C1=NNC(Br)=C1 Y10377 [0,2,0,0,0,0|1,0,0]=3 659 B11R1.15 CCOC(=O)C1=NNC(Br)=N1 26315 [0,2,0,0,0,0|2,0,0]=4 660 B11R1.15 CCOC(=O)C1=NNC(C)=N1 W17173 [0,2,0,0,0,0|1,0,0]=3 661 B11R1.15 CCOC(=O)C1=NNC(Cl)=N1 26331 [0,2,0,0,0,0|2,0,0]=4 662 B11R1.15 CCOC(=O)C1=NNC(N)=C1 67504 [0,2,0,0,0,0|1,0,0]=3 663 B11R1.15 CCOC(=O)C1=NNC(O)=C1 71846 [0,2,0,0,0,0|1,0,0]=3 664 B11R1.15 CCOC(=O)C1=NOC(C)=C1 F14097 [0,2,0,0,0,0|1,0,0]=3 665 B11R1.44 CCC1=NNC(C(=O)OC)=C1 25067 [0,2,0,0,0,0|0,0,2]=4 666 B11R1.225 COC(=O)C1=C(C)NC(C)=C1 78268 [0,2,0,0,0,0|1,0,0]=3 667 B11R1.225 COC(=O)C1=C(N)SC(C)=C1 71347 [0,2,0,0,0,0|2,0,0]=4 668 B11R1.225 COC(=O)C1=CC(C)=NN1C W11019 [0,2,0,0,0,0|0,0,2]=4 669 B11R1.226 COC(=O)C1=CC(C)=C(Br)S1 F10362 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.226 COC(=O)C1=NN(C)C(O)=C1 56700 [0,2,0,0,0,0|1,0,0]=3 671 B11R1.865 COC(=O)C1=C(Cl)C(C)=CS1 I11777 [0,2,0,0,0,0|2,0,0]=4 672 B11R1.865 COC(=O)C1=C(N)C(C)=CS1 67882 [0,2,0,0,0,0|2,0,0]=4 673 B11R1.865 COC(=O)C1=CSC(C)=C1N 76644 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.865 COC(=O)C1=NOC(C)=C1Br W18195 [0,2,0,0,0,0|1,0,0]=3 675 B11R1.50 CCC1=NN(C)C(C(=O)O)=C1 W18574 [0,2,0,0,0,0|0,0,2]=4 676 B11R1.124 CCCC1=NNC(C(=O)O)=C1 F16166 [0,2,0,0,0,0|0,0,2]=4 677 B11R1.175 CC(=O)C1=CNC(C(=O)O)=C1 CL2818 [0,2,0,0,0,0|1,0,1]=4 678 B11R1.175 CC(C)C1=NNC(C(=O)O)=C1 54607 [0,2,0,0,0,0|0,0,2]=4 679 B11R1.175 NC(=O)C1=CC(C(N)=O)=NN1 75212 [0,2,0,0,0,0|1,0,1]=4 680 B11R1.175 O=C(O)C1=CC(C(=O)O)=NN1 29939 [0,2,0,0,0,0|0,0,1]=3 681 B11R1.175 O=C(O)C1=CC(C(=O)O)=NN1 81664 [0,2,0,0,0,0|0,0,1]=3 682 B11R1.175 O=C(O)C1=NNC([N+](=O)[O-])=C1 35582 [0,2,0,0,0,0|1,0,0]=3 683 B11R1.672 CC1=C(Br)C(C(=O)O)=NN1C W15922 [0,2,0,0,0,0|0,0,0]=2 684 B11R1.672 CC1=CC(C(=O)O)=C(C)N1C 30163 [0,2,0,0,0,0|1,0,0]=3 685 B11R1.49 CCN1N=C(C)C=C1C(=O)O P15301 [0,2,0,0,0,0|0,0,2]=4 686 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Br C16018 [0,2,0,0,0,0|0,0,2]=4 687 B9R1.6 O=C(O)C1=NC=CC=C1 11826 [0,0,1,1,0,0|1,0,1]=4 688 B9R1.6 O=C(O)C1=NC=CC=C1 CK2602 [0,0,1,1,0,0|1,0,1]=4 689 B9R1.6 O=C(O)C1=NC=CN=C1 CX1040 [0,0,1,1,0,0|2,0,0]=4 690 B9R1.6 O=C(O)C1=NN=CC=C1 24415 [0,0,1,1,0,0|0,0,2]=4 691 B9R1.2 CC1=CC(C=O)=CN=C1 25175 [1,0,0,0,0,1|1,0,0]=3 692 B9R1.2 CC1=CC(C=O)=NC=C1 24308 [1,0,0,0,0,1|1,0,0]=3 693 B9R1.2 CC1=CC(CO)=CN=C1 SC5056 [1,0,0,0,0,1|1,0,1]=4 694 B9R1.2 CC1=CC(CO)=NC=C1 35673 [1,0,0,0,0,1|1,0,1]=4 695 B9R1.2 CC1=CC=CC(C=O)=C1 AC8308 [1,0,0,0,0,1|2,0,0]=4 696 B9R1.2 CC1=NC=CC(C=O)=C1 63428 [1,0,0,0,0,1|1,0,1]=4 697 B9R1.2 O=CC1=CC(=O)NC=C1 S10165 [1,0,0,0,0,1|2,0,0]=4 698 B9R1.2 O=CC1=CC(Br)=CN=C1 54538 [1,0,0,0,0,1|2,0,0]=4 699 B9R1.2 O=CC1=CC(Cl)=CN=C1 BL006745 [1,0,0,0,0,1|2,0,0]=4 700 B9R1.2 O=CC1=CC(F)=CN=C1 34808 [1,0,0,0,0,1|2,0,0]=4 701 B9R1.2 O=CC1=CN=CC(O)=C1 36323 [1,0,0,0,0,1|2,0,0]=4 702 B9R1.2 O=CC1=NC=CC(Br)=C1 57009 [1,0,0,0,0,1|2,0,0]=4 703 B9R1.2 O=CC1=NC=CC(Cl)=C1 24640 [1,0,0,0,0,1|2,0,0]=4 704 B9R1.13 CC(=O)NC1=NNC=C1 29160 [1,0,0,0,0,1|1,0,0]=3 705 B9R1.13 CC(=O)NC1=NNC=N1 71097 [1,0,0,0,0,1|2,0,0]=4 706 B9R1.13 O=C(O)CC1=CC=CS1 P10011 [1,0,0,0,0,1|2,0,0]=4 707 B9R1.13 O=C(O)CC1=CNC=N1 62600 [1,0,0,0,0,1|2,0,0]=4 708 B9R1.13 O=C(O)CC1=CSC=C1 23025 [1,0,0,0,0,1|2,0,0]=4 709 B9R1.13 O=C(O)CC1=CSC=N1 30725 [1,0,0,0,0,1|2,0,0]=4 710 B9R1.13 O=C(O)CC1=NNC=C1 82858 [1,0,0,0,0,1|0,0,0]=2 711 B9R1.13 O=C(O)CN1C=CC=N1 CL3510 [1,0,0,0,0,1|2,0,0]=4 712 B9R1.13 O=C(O)CN1C=CN=N1 I11576 [1,0,0,0,0,1|1,0,1]=4 713 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 73716 [0,0,0,0,0,2|2,0,0]=4 714 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 RB3375 [0,0,0,0,0,2|1,0,0]=3 715 B11R1.20 CC1=NC=C(CC(=O)O)C=C1 76381 [0,0,0,0,0,2|1,0,1]=4 716 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 36095 [0,0,0,0,0,2|2,0,0]=4 717 B11R1.20 O=C(O)CC1=NC=C(Br)C=N1 26781 [0,0,0,0,0,2|2,0,0]=4 718 B11R1.157 CC(=O)NC1=NC=CC(C)=C1 F16668 [0,0,0,0,0,2|2,0,0]=4 719 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 A10247 [0,0,0,0,0,2|2,0,0]=4