0 B9R1.35 CC(=O)C1=CC(C)=CS1 OR15028 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CC1=CC(C(F)F)=NN1 PC4851 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.35 CC1=CNC(C(=O)O)=C1 OR345040 [0,0,0,0,0,0|1,0,1]=2 3 B9R1.35 NC1=NC(C(=O)O)=CN1 OR470799 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 O=C(O)C1=CSC(F)=C1 PC53150 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 O=C1CC(C(=O)O)CN1 OR315602 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.35 O=C1NCC(C(=O)O)N1 OR24950 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.1 CC1=CNC(CO)=C1 OR0100 [1,0,0,0,0,0|1,0,2]=4 8 B8R1.1 CC1=NC=C(C=O)O1 OR480235 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.1 CCC1=NNC(N)=C1 OR480223 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.1 O=CC1=COC(Br)=C1 OR400002 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.7 CC(=O)C1=CNN=C1 OR313010 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.7 O=C(O)C1=CC=NS1 OR313078 [1,0,0,0,0,0|1,0,1]=3 13 B8R1.7 O=C(O)C1=CCCC1 OR322492 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.7 OB(O)C1=CNC=C1 OR360032 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.7 OB(O)C1=NNC=C1 OR360453 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.14 CC1=CSC(C(=O)NN)=C1 OR111295 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.14 CC1=NNC(C(=O)NN)=C1 OR29613 [0,1,0,0,0,0|1,0,2]=4 18 B10R1.14 COC(=O)C1=CNC(N)=N1 OR310230 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.31 CCC1=NOC(C(=O)O)=C1 OR322856 [0,1,0,0,0,0|1,0,1]=3 20 B10R1.31 CCN1C=C(C(=O)O)C=N1 OR306186 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.31 NCC1=NC(C(=O)O)=CS1 OR54406 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.31 NCC1=NC(C(=O)O)=CS1 OR54407 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.31 O=C(O)C1=CC(CO)=NN1 OR314039 [0,1,0,0,0,0|0,0,2]=3 24 B10R1.31 O=C(O)C1=CC=C(CO)O1 OR315124 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.31 O=CC1=CNC(C(=O)O)=C1 OR345130 [0,1,0,0,0,0|1,0,2]=4 26 B10R1.55 CC1=CC(C(F)(F)Cl)=NN1 PC450117 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.55 CC1=CC(C(F)(F)F)=NN1 PC448028 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.58 CC(=O)C1=NC(C)=C(C)S1 OR9261 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.58 CC1=CC(C(N)=O)=NN1C OR200066 [0,1,0,0,0,0|1,0,0]=2 30 B10R1.58 CC1=CC(C(N)=S)=NN1C OR23192 [0,1,0,0,0,0|1,1,0]=3 31 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 OR23109 [0,1,0,0,0,0|1,0,0]=2 32 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 OR22997 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.59 CC1=NN(C)C=C1C(=O)O OR305621 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.59 CN1C=C(I)C=C1C(=O)O OR303032 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.194 CC1=C(Br)C(C(=O)O)=NN1 OR111145 [0,1,0,0,0,0|0,0,0]=1 36 B10R1.194 CC1=NSC(C(=O)O)=C1Br OR346312 [0,1,0,0,0,0|1,0,1]=3 37 B10R1.194 CN1N=CC(C(=O)O)=C1Br OR303319 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.9 CNC(=O)\C=C/C(=O)O OR322103 [0,0,1,0,0,0|2,0,0]=3 39 B8R0.23 C=C(NC(C)=O)C(=O)O BIA1004 [0,0,1,0,0,0|3,0,0]=4 40 B10R1.13 CC(=O)C1=CC=C(C)C=N1 OR345362 [0,0,0,0,0,1|2,0,0]=3 41 B10R1.13 CC(=O)C1=CC=C(Cl)C=N1 OR345463 [0,0,0,0,0,1|3,0,0]=4 42 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 OR301311 [0,0,0,0,0,1|3,0,0]=4 43 B10R1.13 CC1=CC=C([N+](=O)[O-])N=C1 OR345200 [0,0,0,0,0,1|2,0,1]=4 44 B10R1.13 CC1=CCC(C(=O)O)CC1 OR310527 [0,0,0,0,0,1|2,0,1]=4 45 B10R1.13 NC(=O)C1=CC=C(Cl)C=N1 OR315218 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.13 NC(=O)C1=CC=C(F)C=N1 PC408426 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.13 NC(=O)C1=NN=C(O)C=C1 OR470417 [0,0,0,0,0,1|2,0,1]=4 48 B10R1.13 O=C(O)C1=CC=C(Br)N=N1 OR314067 [0,0,0,0,0,1|1,0,1]=3 49 B10R1.13 O=C(O)C1=CC=C(F)C=C1 PC3520 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.13 O=C(O)C1=CN=C(F)C=C1 PC3965 [0,0,0,0,0,1|2,0,1]=4 51 B10R1.13 O=C(O)C1=NC=C(F)C=C1 PC5246 [0,0,0,0,0,1|2,0,0]=3 52 B10R1.13 O=C(O)C1=NN=C(O)C=C1 OR301257 [0,0,0,0,0,1|1,0,1]=3 53 B10R1.54 CC1=CC(NC(N)=S)=NO1 OR14395 [0,0,0,0,0,1|2,1,0]=4 54 B10R1.54 NC1=CC(CC(=O)O)=NN1 OR302195 [0,0,0,0,0,1|1,0,0]=2 55 B10R1.113 CC(=O)C1=CC(C)=CC=N1 OR345116 [0,0,0,0,0,1|2,0,0]=3 56 B10R1.113 CC(=O)C1=CC(Cl)=CC=N1 OR300751 [0,0,0,0,0,1|3,0,0]=4 57 B10R1.113 CC(=O)C1=CN=CC(Br)=C1 OR345090 [0,0,0,0,0,1|3,0,0]=4 58 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 OR350069 [0,0,0,0,0,1|3,0,0]=4 59 B10R1.113 NC1=CC=CC(C(=O)O)=C1 OR322640 [0,0,0,0,0,1|3,0,0]=4 60 B10R1.113 O=C(O)C1=CC(F)=CC=C1 PC3510 [0,0,0,0,0,1|3,0,0]=4 61 B10R1.113 O=C(O)C1=CC(F)=CN=C1 PC2505 [0,0,0,0,0,1|2,0,0]=3 62 B10R1.113 O=C(O)C1=CC(F)=NC=C1 PC2057 [0,0,0,0,0,1|2,0,1]=4 63 B10R1.113 O=C(O)C1=CC(I)=CC=N1 OR303674 [0,0,0,0,0,1|2,0,0]=3 64 B10R1.113 O=C(O)C1=NC(F)=CN=C1 PC53162 [0,0,0,0,0,1|3,0,0]=4 65 B10R1.113 O=C1C=COC(C(=O)O)=C1 OR322025 [0,0,0,0,0,1|3,0,0]=4 66 B7R0.6 CC(=O)\C=C\C(=O)O OR22045 [1,0,1,0,0,0|1,0,0]=3 67 B7R1.1 O=CC1=CNN=C1 OR307174 [2,0,0,0,0,0|2,0,0]=4 68 B7R1.1 O=CC1=NNC=C1 OR307173 [2,0,0,0,0,0|0,0,0]=2 69 B7R1.1 OCC1=NNC=C1 OR315534 [2,0,0,0,0,0|0,0,1]=3 70 B7R1.2 CC1=CC(C)=NO1 OR30211 [2,0,0,0,0,0|1,0,1]=4 71 B7R1.2 NC1=NNC(Br)=C1 OR471180 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.11 COC(=O)C1=NNC=N1 OR350262 [1,1,0,0,0,0|1,0,0]=3 73 B9R1.41 CC1=C(C(=O)O)C=CO1 OR345127 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.41 CC1=C(C(=O)O)N=NO1 OR6326 [1,1,0,0,0,0|1,0,1]=4 75 B9R1.41 CC1=C(C(=O)O)NC=C1 OR313040 [1,1,0,0,0,0|1,0,1]=4 76 B9R1.41 CC1=CNN=C1[N+](=O)[O-] OR307254 [1,1,0,0,0,0|1,0,1]=4 77 B9R1.41 CC1=NNC=C1C(=O)O OR345093 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.41 NC(=S)C1=NNC=C1Br OR27436 [1,1,0,0,0,0|1,1,0]=4 79 B9R1.41 NC1=CSC=C1C(=O)O OR6270 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.41 NC1=NSN=C1C(=O)O OR480213 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.41 O=C(O)C1=C(Cl)SC=C1 OR307013 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.41 O=C(O)C1=C(F)C=CS1 PC8915 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.3 CNC1=NN=C(C(=O)O)C=C1 OR471544 [0,1,0,0,0,1|0,0,1]=3 84 B11R1.3 COC1=CN=C(C(C)=O)C=N1 OR301312 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.3 COC1=NC=C(C(=O)O)C=N1 OR310777 [0,1,0,0,0,1|1,0,1]=4 86 B11R1.3 O=C(O)C1=CC=C(CF)C=C1 PC56766 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 OR350195 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=N1 OR52563 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 PC3823B [0,1,0,0,0,1|2,0,0]=4 90 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 PC201003 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.21 NC1=CC(C(=O)O)=NC=C1F PC421117 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.21 O=C(O)C1=CC=C(F)C(Br)=N1 PC305018 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 OR183419 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.21 O=C(O)C1=NC(Cl)=C(F)C=C1 PC201328 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.22 COC(=O)C1=CC=C(Cl)C=N1 OR303670 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.22 COC(=O)C1=NC=C(F)C=C1 PC520639 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 PC5934 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.166 CC1=CC(F)=CN=C1C(=O)O PC421088 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.166 CC1=CN=C(C(=O)O)C(Cl)=N1 OR53083 [0,1,0,0,0,1|1,0,0]=3 100 B11R1.166 NC1=CC(F)=CN=C1C(=O)O PC49181 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=N1 OR315085 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.166 O=C(O)C1=C(O)N=C(O)N=N1 OR346340 [0,1,0,0,0,1|1,0,1]=4 103 B11R1.166 O=C(O)C1=NC=C(Br)C=C1F PC6074 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1F PC6073 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.166 O=C(O)C1=NC=C(F)C=C1Br PC10646 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.166 O=C(O)C1=NC=C(F)C=C1Cl PC49027 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.166 O=C(O)C1=NC=C(F)C=C1F PC10530 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.39 CC1=CC(NC(=O)CBr)=NO1 OR322435 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.39 COC(=O)CC1=CC(C)=NN1 OR314018 [0,1,0,0,0,1|0,0,2]=4 110 B11R1.23 COC(=O)C1=CC(F)=CN=C1 PC200409 [0,1,0,0,0,1|2,0,0]=4 111 B11R1.23 COC(=O)C1=NC(C)=CN=C1 OR350256 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.23 COC(=O)C1=NC=CC(F)=C1 PC412521 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=C1 OR400183 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.74 CC1=CC(C(=O)O)=CC(F)=C1 PC5915 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.74 CC1=CC(C(=O)O)=CC(N)=C1 OR315324 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.74 CC1=CC(C(=O)O)=CC(O)=C1 OR345377 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.74 CC1=CC(C(=O)O)=NC(=O)N1 OR345150 [0,1,0,0,0,1|0,0,0]=2 118 B11R1.74 CC1=CC(C(=O)O)=NC(Cl)=C1 OR200109 [0,1,0,0,0,1|1,0,0]=3 119 B11R1.159 CC1=C(Br)C=NC=C1C(=O)O OR015015 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.159 CC1=CC=CC(C(=O)O)=C1Cl OR304203 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.159 CC1=CC=CC(C(=O)O)=C1F PC3823 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.159 O=C(O)C1=CN=CC(Br)=C1I OR345353 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1F PC421163 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.167 CC1=C(C(=O)O)C=C(I)C=N1 OR345204 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 PC0854 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.167 CC1=CC(C(=O)O)=C(F)C=N1 PC201357 [0,1,0,0,0,1|1,0,1]=4 127 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 OR345039 [0,1,0,0,0,1|1,0,1]=4 128 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=N1 OR300732 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.167 NC1=C(C(=O)O)C=C(I)C=N1 OR300739 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.167 NC1=CC(C(=O)O)=C(Cl)N=C1 OR345344 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.167 O=C(O)C1=C(Br)N=CC(Br)=C1 OR315123 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.167 O=C(O)C1=C(Br)N=CC(Cl)=C1 OR315083 [0,1,0,0,0,1|2,0,0]=4 133 B11R1.167 O=C(O)C1=C(F)N=CC(Cl)=C1 PC445043 [0,1,0,0,0,1|2,0,0]=4 134 B11R1.167 O=C(O)C1=CC(Br)=CN=C1F PC57029 [0,1,0,0,0,1|2,0,0]=4 135 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl PC9179 [0,1,0,0,0,1|2,0,0]=4 136 B11R1.266 COC1=CC=NC(C(C)=O)=C1 OR300748 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.266 NNC1=CC(C(=O)O)=CN=C1 OR345613 [0,1,0,0,0,1|2,0,0]=4 138 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 OR345068 [0,1,0,0,0,1|2,0,0]=4 139 B11R1.15 CCOC(=O)C1=CC(C)=CN1 OR350171 [0,2,0,0,0,0|1,0,1]=4 140 B11R1.15 CCOC(=O)C1=CC(C)=CS1 OR111015 [0,2,0,0,0,0|2,0,0]=4 141 B11R1.15 CCOC(=O)C1=CC(C)=NO1 OR346323 [0,2,0,0,0,0|1,0,1]=4 142 B11R1.15 CCOC(=O)C1=NN=C(C)O1 OR346245 [0,2,0,0,0,0|1,0,1]=4 143 B11R1.15 CCOC(=O)C1=NNC(O)=C1 OR346230 [0,2,0,0,0,0|1,0,0]=3 144 B11R1.15 CCOC(=O)C1=NOC(C)=N1 OR300717 [0,2,0,0,0,0|2,0,0]=4 145 B11R1.226 CC1=CC(C(=O)NN)=NN1C OR111143 [0,2,0,0,0,0|1,0,0]=3 146 B11R1.226 COC(=O)C1=NN(C)C(C)=C1 OR110685 [0,2,0,0,0,0|0,0,0]=2 147 B11R1.226 COC(=O)C1=NN(C)C(O)=C1 OR346186 [0,2,0,0,0,0|1,0,0]=3 148 B11R1.124 CCCC1=CC(C(N)=O)=NN1 OR470503 [0,2,0,0,0,0|1,0,0]=3 149 B11R1.124 NCCN1C=C(C(=O)O)N=N1 OR310742 [0,2,0,0,0,0|1,0,1]=4 150 B11R1.175 CC(C)N1C=NC(C(=O)O)=C1 OR306006 [0,2,0,0,0,0|2,0,0]=4 151 B9R1.2 C=CC1=CN=CC(C)=C1 OR400848 [1,0,0,0,0,1|2,0,0]=4 152 B9R1.2 C=CC1=NC=CC(C)=C1 OR400847 [1,0,0,0,0,1|2,0,0]=4 153 B9R1.2 O=CC1=CN=CC(F)=C1 PC7041 [1,0,0,0,0,1|2,0,0]=4 154 B9R1.2 O=CC1=NC=CC(Cl)=C1 OR303780 [1,0,0,0,0,1|2,0,0]=4 155 B9R1.13 O=C(O)CC1=CSC=N1 OR470621 [1,0,0,0,0,1|2,0,0]=4 156 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 PC408552 [0,0,0,0,0,2|2,0,0]=4 157 B11R1.75 CC1=NN=C(SCC(=O)O)N1 OR321479 [0,0,0,0,0,2|1,0,1]=4 158 B11R1.157 CC(=O)NC1=NN=CC(C)=C1 OR470297 [0,0,0,0,0,2|1,0,1]=4 159 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 OR314059 [0,0,0,0,0,2|2,0,0]=4