0 B9R1.35 CC(=O)C1=CC(Br)=CS1 SY031823 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)C1=CC(Cl)=CS1 SY101316 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC(=O)C1=CC=C(Br)S1 SY017856 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC(=O)C1=CC=C(C)O1 SY013987 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CC(=O)C1=CC=C(C)S1 SY016983 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 CC(=O)C1=CN(C)N=C1 SY064140 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CC(=O)C1=CNC(Br)=C1 SY263216 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 CC(=O)C1=NN(C)C=C1 SY045892 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 CC1=CC(B(O)O)=NN1 SY029885 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.35 CC1=CC(C(=O)O)=CS1 SY014238 [0,0,0,0,0,0|0,0,0]=0 10 B9R1.35 CC1=CC(C(=O)O)=NO1 SY010127 [0,0,0,0,0,0|1,1,0]=2 11 B9R1.35 CC1=CC([N+](=O)[O-])=NN1 SY030533 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.35 CC1=CC=C(B(O)O)O1 SY025273 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.35 CC1=CC=C(B(O)O)S1 SY004158 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.35 CC1=CC=C(C(=O)O)O1 SY033736 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.35 CC1=CC=C(C(=O)O)S1 SY001770 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.35 CC1=CN=C(C(=O)O)S1 SY023408 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.35 CC1=COC(C(=O)O)=N1 SY273851 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.35 CC1=CSC(B(O)O)=C1 SY007498 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.35 CC1=CSC(C(=O)O)=C1 SY012042 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.35 CC1=CSC(C(=O)O)=N1 SY015483 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.35 CC1=NC(C(=O)O)=CN1 SY015260 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.35 CC1=NC(C(=O)O)=CO1 SY015418 [0,0,0,0,0,0|1,1,0]=2 23 B9R1.35 CC1=NC(C(=O)O)=CS1 SY005875 [0,0,0,0,0,0|1,0,0]=1 24 B9R1.35 CC1=NC(C(=O)O)=NO1 SY026691 [0,0,0,0,0,0|2,1,0]=3 25 B9R1.35 CC1=NC(C(N)=O)=CS1 SY096630 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.35 CC1=NC=C(C(=O)O)O1 SY034537 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.35 CC1=NC=C(C(=O)O)S1 SY019257 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.35 CC1=NN=C(C(=O)O)S1 SY022991 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.35 CC1=NN=C(C(=O)[O-])O1 SY025650 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.35 CC1=NNC(C(=O)O)=C1 SY007408 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.35 CC1=NOC(C(=O)O)=C1 SY033484 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.35 CN1C=C(B(O)O)C=N1 SY012288 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.35 CN1C=C(C(=O)O)C=N1 SY014144 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.35 CN1C=C([N+](=O)[O-])C=N1 SY005889 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.35 CN1C=CC(C(=O)O)=C1 SY023300 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.35 CN1C=CC(C(=O)O)=N1 SY005921 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.35 CN1C=NC(C(=O)O)=C1 SY003723 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.35 NC(=O)C1=NNC(N)=C1 SY018555 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.35 NC1=CSC(C(=O)O)=C1 SY026146 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.35 NC1=NC(C(=O)O)=CN1 SY027829 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.35 NC1=NC=C(C(=O)O)S1 SY003801 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.35 O=C(O)C1=CC(Br)=CN1 SY110044 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.35 O=C(O)C1=CC(Br)=CS1 SY002033 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.35 O=C(O)C1=CC(Br)=NO1 SY018531 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.35 O=C(O)C1=CC(Cl)=CS1 SY046793 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.35 O=C(O)C1=CC=C(Br)O1 SY023401 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.35 O=C(O)C1=CC=C(Br)S1 SY003028 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.35 O=C(O)C1=CC=C(Cl)O1 SY104264 [0,0,0,0,0,0|3,0,0]=3 49 B9R1.35 O=C(O)C1=CC=C(Cl)S1 SY001039 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.35 O=C(O)C1=CC=C(F)S1 SY042026 [0,0,0,0,0,0|3,0,0]=3 51 B9R1.35 O=C(O)C1=CN=C(Br)N1 SY035164 [0,0,0,0,0,0|3,0,0]=3 52 B9R1.35 O=C(O)C1=CN=C(Br)S1 SY006695 [0,0,0,0,0,0|3,0,0]=3 53 B9R1.35 O=C(O)C1=CN=C(Cl)S1 SY019267 [0,0,0,0,0,0|3,0,0]=3 54 B9R1.35 O=C(O)C1=CNC(Cl)=N1 SY264613 [0,0,0,0,0,0|3,0,0]=3 55 B9R1.35 O=C(O)C1=COC(Br)=C1 SY021737 [0,0,0,0,0,0|1,1,0]=2 56 B9R1.35 O=C(O)C1=COC(Cl)=N1 SY027681 [0,0,0,0,0,0|2,1,0]=3 57 B9R1.35 O=C(O)C1=CSC(Br)=C1 SY022842 [0,0,0,0,0,0|1,0,0]=1 58 B9R1.35 O=C(O)C1=CSC(Br)=N1 SY004497 [0,0,0,0,0,0|2,0,0]=2 59 B9R1.35 O=C(O)C1=CSC(Cl)=C1 SY019665 [0,0,0,0,0,0|1,0,0]=1 60 B9R1.35 O=C(O)C1=CSC(Cl)=N1 SY065475 [0,0,0,0,0,0|2,0,0]=2 61 B9R1.35 O=C(O)C1=CSC(I)=N1 SY205366 [0,0,0,0,0,0|2,0,0]=2 62 B9R1.35 O=C(O)C1=NC(Br)=CS1 SY033628 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.35 O=C(O)C1=NC=C(Br)S1 SY006142 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.35 O=C(O)C1=NN=C(Br)S1 SY058944 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.35 O=C(O)C1=NNC(Br)=C1 SY036625 [0,0,0,0,0,0|3,0,0]=3 66 B9R1.35 O=C(O)C1=NNC(Cl)=C1 SY029998 [0,0,0,0,0,0|3,0,0]=3 67 B9R1.35 O=C1NC=C(C(=O)O)N1 SY018249 [0,0,0,0,0,0|3,0,0]=3 68 B8R1.1 C#CC1=CSC(C)=N1 SY148532 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.1 CC1=CC=C(C=O)N1 SY016074 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.1 CC1=CC=C(C=O)O1 SY001535 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.1 CC1=CC=C(C=O)S1 SY005122 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.1 CC1=CC=C(CO)O1 SY046643 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.1 CC1=CN=C(C=O)S1 SY025200 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.1 CC1=CSC(C=O)=C1 SY035937 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.1 CC1=NC(C=O)=CS1 SY033287 [1,0,0,0,0,0|1,0,0]=2 76 B8R1.1 CC1=NC(CCl)=CS1 SY013781 [1,0,0,0,0,0|2,0,1]=4 77 B8R1.1 CC1=NC(CCl)=CS1 SY036523 [1,0,0,0,0,0|2,0,1]=4 78 B8R1.1 CC1=NC=C(C=O)S1 SY031839 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.1 CC1=NN=C(C=O)N1 SY100562 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.1 CCC1=CCC(C)=C1 SY308291 [1,0,0,0,0,0|2,0,1]=4 81 B8R1.1 CN1C=C(C=O)C=N1 SY017600 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.1 CN1C=C(CO)C=N1 SY017187 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.1 CN1C=CC(C=O)=N1 SY030639 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.1 CN1C=NC(C=O)=C1 SY041684 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.1 NC1=NC=C(C=O)S1 SY041952 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.1 O=CC1=CC(Br)=CN1 SY031830 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.1 O=CC1=CC(Br)=CS1 SY002444 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.1 O=CC1=CC(I)=CN1 SY102993 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.1 O=CC1=CC=C(Br)N1 SY114423 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.1 O=CC1=CC=C(Br)O1 SY008053 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.1 O=CC1=CC=C(Br)S1 SY006056 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.1 O=CC1=CC=C(Cl)N1 SY268296 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.1 O=CC1=CC=C(Cl)O1 SY031372 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.1 O=CC1=CC=C(Cl)S1 SY005588 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.1 O=CC1=CN=C(Br)N1 SY023138 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.1 O=CC1=CN=C(Br)S1 SY031622 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.1 O=CC1=CN=C(Cl)S1 SY024025 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.1 O=CC1=CNC(Br)=C1 SY225462 [1,0,0,0,0,0|2,0,0]=3 99 B8R1.1 O=CC1=CNC(I)=C1 SY263118 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.1 O=CC1=CSC(Br)=C1 SY022789 [1,0,0,0,0,0|1,0,0]=2 101 B8R1.1 O=CC1=CSC(Br)=N1 SY031623 [1,0,0,0,0,0|2,0,0]=3 102 B8R1.1 OCC1=CSC(Br)=N1 SY060378 [1,0,0,0,0,0|2,0,1]=4 103 B8R1.7 CC(=O)C1=CC=CN1 SY011279 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.7 CC(=O)C1=CN=CN1 SY042637 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.7 CC(=O)C1=COC=N1 SY310747 [1,0,0,0,0,0|2,1,0]=4 106 B8R1.7 CC(=O)C1=CSC=C1 SY009376 [1,0,0,0,0,0|1,0,0]=2 107 B8R1.7 CC(=O)C1=CSC=N1 SY043032 [1,0,0,0,0,0|2,0,0]=3 108 B8R1.7 CC(=O)C1=NNC=C1 SY123629 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.7 FC(F)C1=CSC=C1 SY265636 [1,0,0,0,0,0|2,0,1]=4 110 B8R1.7 NC(=O)C1=CNN=C1 SY031430 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.7 NC(=O)C1=COC=N1 SY026763 [1,0,0,0,0,0|2,1,0]=4 112 B8R1.7 NC(=O)C1=NNC=C1 SY033000 [1,0,0,0,0,0|3,0,0]=4 113 B8R1.7 O=C(O)C1=CC=CN1 SY014890 [1,0,0,0,0,0|2,0,0]=3 114 B8R1.7 O=C(O)C1=CC=CS1 SY001476 [1,0,0,0,0,0|2,0,0]=3 115 B8R1.7 O=C(O)C1=CC=NO1 SY018290 [1,0,0,0,0,0|2,0,0]=3 116 B8R1.7 O=C(O)C1=CC=NS1 SY029089 [1,0,0,0,0,0|2,0,0]=3 117 B8R1.7 O=C(O)C1=CCCC1 SY027520 [1,0,0,0,0,0|1,0,2]=4 118 B8R1.7 O=C(O)C1=CN=CO1 SY026644 [1,0,0,0,0,0|2,0,0]=3 119 B8R1.7 O=C(O)C1=CN=CS1 SY006027 [1,0,0,0,0,0|2,0,0]=3 120 B8R1.7 O=C(O)C1=CN=NN1 SY023455 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.7 O=C(O)C1=CNC=C1 SY004601 [1,0,0,0,0,0|1,0,0]=2 122 B8R1.7 O=C(O)C1=CNC=N1 SY001178 [1,0,0,0,0,0|2,0,0]=3 123 B8R1.7 O=C(O)C1=CNN=C1 SY018302 [1,0,0,0,0,0|2,0,0]=3 124 B8R1.7 O=C(O)C1=COC=C1 SY003999 [1,0,0,0,0,0|0,1,0]=2 125 B8R1.7 O=C(O)C1=COC=N1 SY003724 [1,0,0,0,0,0|1,1,0]=3 126 B8R1.7 O=C(O)C1=COCC1 SY027844 [1,0,0,0,0,0|0,1,2]=4 127 B8R1.7 O=C(O)C1=CON=C1 SY029017 [1,0,0,0,0,0|1,1,0]=3 128 B8R1.7 O=C(O)C1=CSC=C1 SY001582 [1,0,0,0,0,0|0,0,0]=1 129 B8R1.7 O=C(O)C1=CSC=N1 SY015498 [1,0,0,0,0,0|1,0,0]=2 130 B8R1.7 O=C(O)C1=CSN=C1 SY022883 [1,0,0,0,0,0|1,0,0]=2 131 B8R1.7 O=C(O)C1=CSN=N1 SY007300 [1,0,0,0,0,0|2,0,0]=3 132 B8R1.7 O=C(O)C1=NC=CN1 SY007870 [1,0,0,0,0,0|3,0,0]=4 133 B8R1.7 O=C(O)C1=NC=NS1 SY129587 [1,0,0,0,0,0|3,0,0]=4 134 B8R1.7 O=C(O)C1=NNC=C1 SY002921 [1,0,0,0,0,0|2,0,0]=3 135 B8R1.7 O=C(O)C1=NNC=N1 SY018482 [1,0,0,0,0,0|3,0,0]=4 136 B8R1.7 O=C(O)C1=NOC=C1 SY031545 [1,0,0,0,0,0|1,1,0]=3 137 B8R1.7 O=C(O)C1=NOC=N1 SY026689 [1,0,0,0,0,0|2,1,0]=4 138 B8R1.7 O=C(O)C1=NSC=C1 SY059468 [1,0,0,0,0,0|1,0,0]=2 139 B8R1.7 O=C(O)C1=NSN=C1 SY123045 [1,0,0,0,0,0|2,0,0]=3 140 B8R1.7 O=C(O)C1C=CCN1 SY251245 [1,0,0,0,0,0|2,0,1]=4 141 B8R1.7 O=C(O)[C@@H]1C=CCN1 SY022074 [1,0,0,0,0,0|2,0,1]=4 142 B8R1.7 O=C(O)[C@H]1C=CCN1 SY251243 [1,0,0,0,0,0|2,0,1]=4 143 B8R1.7 O=[N+]([O-])C1=CNC=C1 SY004596 [1,0,0,0,0,0|2,0,1]=4 144 B8R1.7 OB(O)C1=COC=C1 SY001064 [1,0,0,0,0,0|1,1,1]=4 145 B8R1.7 OB(O)C1=CSC=C1 SY014859 [1,0,0,0,0,0|1,0,1]=3 146 B10R1.14 CC1=CC=C(C(=O)CO)O1 SY131039 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.14 CC1=CC=C(C(=O)CO)S1 SY131041 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.14 CC1=NC(C(=O)NN)=CS1 SY020619 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.14 CN1C=C(C(=O)CBr)C=N1 SY028953 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.14 COC(=O)C1=CC(Br)=CN1 SY007031 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.14 COC(=O)C1=CC(Br)=CO1 SY023052 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.14 COC(=O)C1=CC(Br)=CS1 SY096947 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.14 COC(=O)C1=CC(F)=CN1 SY016341 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.14 COC(=O)C1=CC(F)=CS1 SY273933 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.14 COC(=O)C1=CC(I)=CN1 SY029016 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.14 COC(=O)C1=CC(N)=CO1 SY269578 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.14 COC(=O)C1=CC(N)=CS1 SY026160 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.14 COC(=O)C1=CC(O)=NO1 SY032405 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.14 COC(=O)C1=CC=C(Br)N1 SY037210 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.14 COC(=O)C1=CC=C(Br)O1 SY022677 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.14 COC(=O)C1=CC=C(Br)S1 SY020860 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.14 COC(=O)C1=CC=C(Cl)O1 SY030840 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.14 COC(=O)C1=CC=C(N)O1 SY036521 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.14 COC(=O)C1=CC=C(N)S1 SY104197 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.14 COC(=O)C1=CN(C)C=N1 SY018598 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.14 COC(=O)C1=CN(C)N=C1 SY113242 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.14 COC(=O)C1=CN(C)N=N1 SY008374 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.14 COC(=O)C1=CN=C(Br)S1 SY004483 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.14 COC(=O)C1=CN=C(Cl)O1 SY107008 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.14 COC(=O)C1=CN=C(N)S1 SY003641 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.14 COC(=O)C1=CNC(=O)N1 SY018247 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.14 COC(=O)C1=CNC(Br)=C1 SY006285 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.14 COC(=O)C1=CNC(C)=C1 SY292839 [0,1,0,0,0,0|1,0,0]=2 174 B10R1.14 COC(=O)C1=CNC(Cl)=C1 SY249600 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.14 COC(=O)C1=COC(C)=N1 SY018269 [0,1,0,0,0,0|1,1,0]=3 176 B10R1.14 COC(=O)C1=COC(Cl)=N1 SY104314 [0,1,0,0,0,0|2,1,0]=4 177 B10R1.14 COC(=O)C1=COC(N)=N1 SY065484 [0,1,0,0,0,0|2,1,0]=4 178 B10R1.14 COC(=O)C1=CSC(Br)=C1 SY114933 [0,1,0,0,0,0|1,0,0]=2 179 B10R1.14 COC(=O)C1=CSC(Br)=N1 SY015458 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.14 COC(=O)C1=CSC(C)=N1 SY276004 [0,1,0,0,0,0|1,0,0]=2 181 B10R1.14 COC(=O)C1=CSC(N)=N1 SY004574 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.14 COC(=O)C1=NC(C)=CS1 SY022687 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.14 COC(=O)C1=NC=C(C)S1 SY022685 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.14 COC(=O)C1=NN(C)C=C1 SY019559 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.14 COC(=O)C1=NN(C)N=C1 SY008375 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.14 COC(=O)C1=NNC(Br)=C1 SY024058 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.14 COC(=O)C1=NNC(C)=C1 SY051122 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.14 COC(=O)C1=NNC(N)=C1 SY017408 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.31 CCN1C=C(C(=O)O)C=N1 SY014178 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.31 CCN1C=C(C(=O)O)N=N1 SY212488 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.31 CCN1C=CC(C(=O)O)=N1 SY014156 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.31 COC1=CC=C(C(=O)O)S1 SY022425 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.31 COC1=CNC(C(=O)O)=C1 SY247648 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.31 N#CC1=CC=C(C(=O)O)O1 SY022127 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.31 N#CC1=CC=C(C(=O)O)S1 SY194482 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.31 O=C(O)C1=CC=C(CO)O1 SY062854 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.31 O=CC1=CC(B(O)O)=CS1 SY007963 [0,1,0,0,0,0|1,0,2]=4 198 B10R1.31 O=CC1=CC=C(C(=O)O)O1 SY050542 [0,1,0,0,0,0|2,0,1]=4 199 B10R1.31 OCC1=CC(B(O)O)=CS1 SY033254 [0,1,0,0,0,0|1,0,1]=3 200 B10R1.55 CS(=O)(=O)C1=CSC(Br)=C1 SY288842 [0,1,0,0,0,0|2,0,1]=4 201 B10R1.58 CC1=C(Br)SC(C(=O)O)=C1 SY133724 [0,1,0,0,0,0|2,0,0]=3 202 B10R1.58 CC1=C(C)SC(C(=O)O)=N1 SY022801 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.58 CC1=CC(C(=O)O)=NN1C SY004171 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.58 CC1=CC(C(N)=O)=NN1C SY019794 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.58 CC1=NC(C(=O)O)=CN1C SY251500 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.58 CN1C=C(C(=O)O)N=C1Br SY252953 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 SY111495 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 SY060376 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.59 CC(=O)C1=C(Br)SC(Br)=C1 SY033576 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 SY033272 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 SY020864 [0,1,0,0,0,0|1,0,0]=2 212 B10R1.59 CC(=O)C1=C(Cl)SC(Cl)=C1 SY034796 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.59 CC(=O)C1=CN(C)N=C1C SY173610 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.59 CC1=C(C(=O)O)N=C(Br)S1 SY038455 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 SY102206 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 SY109880 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 SY139192 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 SY192463 [0,1,0,0,0,0|2,0,0]=3 219 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 SY013882 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 SY007537 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.59 CC1=NN(C)C(C(N)=O)=C1 SY021638 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.59 CC1=NN(C)C=C1C(=O)O SY046574 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.59 CN1C=C(Br)C(C(=O)O)=N1 SY013425 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.59 CN1C=C(Br)C=C1C(=O)O SY021734 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.59 CN1C=C(I)C(C(=O)O)=N1 SY079900 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.59 CN1C=C(N)C(C(=O)O)=N1 SY030212 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.59 O=C(O)C1=C(Br)N=C(Br)S1 SY110902 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.59 O=C(O)C1=C(Br)SC(Br)=C1 SY051076 [0,1,0,0,0,0|1,0,0]=2 229 B10R1.59 O=C(O)C1=C(Cl)SC(Cl)=C1 SY020987 [0,1,0,0,0,0|1,0,0]=2 230 B10R1.59 O=C(O)C1=C(Cl)SC(Cl)=N1 SY107533 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.194 CC1=C(C(=O)O)C=NN1C SY041939 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.194 CC1=C(C(=O)O)SC=C1Br SY063565 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 SY096771 [0,1,0,0,0,0|0,0,0]=1 234 B10R1.194 CC1=CC=C(C(N)=O)N1N SY273431 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.194 CC1=NNC(C(=O)O)=C1C SY031874 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.194 CN1N=CC(C(=O)O)=C1N SY003711 [0,1,0,0,0,0|2,0,0]=3 237 B8R0.9 COC(=O)\C=C\C(=O)O SY039225 [0,0,1,0,0,0|1,1,1]=4 238 B8R0.23 C=C(NC(C)=O)C(=O)O SY026505 [0,0,1,0,0,0|1,1,0]=3 239 B8R0.28 CN(C)C\C=C\C(=O)O SY030493 [0,0,1,0,0,0|2,0,1]=4 240 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 SY001458 [0,0,0,0,0,1|3,0,0]=4 241 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 SY007796 [0,0,0,0,0,1|3,0,0]=4 242 B10R1.13 CC(=O)C1=CC=C(C)C=N1 SY005233 [0,0,0,0,0,1|2,0,0]=3 243 B10R1.13 CC(=O)C1=CC=C(C)N=C1 SY063969 [0,0,0,0,0,1|2,0,0]=3 244 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 SY017267 [0,0,0,0,0,1|3,0,0]=4 245 B10R1.13 CC(=O)C1=CC=C(F)N=C1 SY022263 [0,0,0,0,0,1|3,0,0]=4 246 B10R1.13 CC(=O)C1=CC=C(I)C=C1 SY011859 [0,0,0,0,0,1|3,0,0]=4 247 B10R1.13 CC(=O)C1=CC=C(N)C=C1 SY011145 [0,0,0,0,0,1|3,0,0]=4 248 B10R1.13 CC(=O)C1=CC=C(O)C=C1 SY009665 [0,0,0,0,0,1|3,0,0]=4 249 B10R1.13 CC(=O)C1=CC=C(O)N=C1 SY022345 [0,0,0,0,0,1|3,0,0]=4 250 B10R1.13 CC(=O)C1=CN=C(C)N=C1 SY020295 [0,0,0,0,0,1|2,0,0]=3 251 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 SY029151 [0,0,0,0,0,1|3,0,0]=4 252 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 SY028282 [0,0,0,0,0,1|3,0,0]=4 253 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 SY022264 [0,0,0,0,0,1|3,0,0]=4 254 B10R1.13 CC1=CC=C(B(O)O)C=C1 SY002147 [0,0,0,0,0,1|2,0,1]=4 255 B10R1.13 CC1=CC=C(C(=O)O)C=C1 SY003713 [0,0,0,0,0,1|1,0,0]=2 256 B10R1.13 CC1=CC=C(C(C)O)C=C1 SY005050 [0,0,0,0,0,1|2,0,1]=4 257 B10R1.13 CC1=CC=C(C(N)=O)C=N1 SY023122 [0,0,0,0,0,1|2,0,0]=3 258 B10R1.13 CC1=CC=C(S(=O)O)C=C1 SY113268 [0,0,0,0,0,1|2,0,0]=3 259 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 SY013741 [0,0,0,0,0,1|2,0,1]=4 260 B10R1.13 CC1=CC=C(S(N)=O)C=C1 SY261118 [0,0,0,0,0,1|3,0,0]=4 261 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 SY114833 [0,0,0,0,0,1|3,0,0]=4 262 B10R1.13 CC1=CN=C(C(=O)O)C=N1 SY003142 [0,0,0,0,0,1|1,0,0]=2 263 B10R1.13 CC1=CN=C([N+](=O)[O-])C=C1 SY030922 [0,0,0,0,0,1|2,0,1]=4 264 B10R1.13 CC1=NC=C(B(O)O)C=C1 SY019413 [0,0,0,0,0,1|2,0,1]=4 265 B10R1.13 CC1=NC=C(B(O)O)C=N1 SY025035 [0,0,0,0,0,1|2,0,1]=4 266 B10R1.13 CC1=NC=C(C(=O)O)C=C1 SY001939 [0,0,0,0,0,1|1,0,0]=2 267 B10R1.13 CC1=NC=C(C(=O)O)C=N1 SY007653 [0,0,0,0,0,1|1,0,0]=2 268 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 SY009065 [0,0,0,0,0,1|2,0,1]=4 269 B10R1.13 CC1=NN=C(C(=O)O)C=C1 SY007131 [0,0,0,0,0,1|2,0,0]=3 270 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 SY020099 [0,0,0,0,0,1|3,0,0]=4 271 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 SY048513 [0,0,0,0,0,1|3,0,0]=4 272 B10R1.13 NC(=O)C1=CC=C(F)C=C1 SY013152 [0,0,0,0,0,1|3,0,0]=4 273 B10R1.13 NC(=O)C1=CC=C(N)C=C1 SY004554 [0,0,0,0,0,1|3,0,0]=4 274 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 SY047606 [0,0,0,0,0,1|3,0,0]=4 275 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 SY004157 [0,0,0,0,0,1|3,0,0]=4 276 B10R1.13 NC(=O)C1=CN=C(N)C=C1 SY038238 [0,0,0,0,0,1|3,0,0]=4 277 B10R1.13 NC(=O)C1=CN=C(O)N=C1 SY041469 [0,0,0,0,0,1|3,0,0]=4 278 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 SY064801 [0,0,0,0,0,1|3,0,0]=4 279 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 SY075316 [0,0,0,0,0,1|3,0,0]=4 280 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 SY021612 [0,0,0,0,0,1|3,0,0]=4 281 B10R1.13 NC1=CC=C(C(=O)O)C=C1 SY003749 [0,0,0,0,0,1|2,0,0]=3 282 B10R1.13 NC1=CN=C(C(=O)O)C=C1 SY004398 [0,0,0,0,0,1|2,0,0]=3 283 B10R1.13 NC1=CN=C(C(=O)O)C=N1 SY002809 [0,0,0,0,0,1|2,0,0]=3 284 B10R1.13 NC1=NC=C(C(=O)O)C=C1 SY004091 [0,0,0,0,0,1|2,0,0]=3 285 B10R1.13 NC1=NC=C(C(=O)O)C=N1 SY013230 [0,0,0,0,0,1|2,0,0]=3 286 B10R1.13 NC1=NN=C(C(=O)O)C=C1 SY003537 [0,0,0,0,0,1|3,0,0]=4 287 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 SY001067 [0,0,0,0,0,1|2,0,0]=3 288 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 SY002326 [0,0,0,0,0,1|2,0,0]=3 289 B10R1.13 O=C(O)C1=CC=C(F)C=C1 SY001592 [0,0,0,0,0,1|2,0,0]=3 290 B10R1.13 O=C(O)C1=CC=C(I)C=C1 SY001356 [0,0,0,0,0,1|2,0,0]=3 291 B10R1.13 O=C(O)C1=CC=[N+]([O-])C=C1 SY112139 [0,0,0,0,0,1|3,0,0]=4 292 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 SY002819 [0,0,0,0,0,1|2,0,0]=3 293 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 SY001709 [0,0,0,0,0,1|2,0,0]=3 294 B10R1.13 O=C(O)C1=CN=C(Cl)C=N1 SY018611 [0,0,0,0,0,1|2,0,0]=3 295 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 SY019434 [0,0,0,0,0,1|2,0,0]=3 296 B10R1.13 O=C(O)C1=CN=C(F)C=C1 SY004391 [0,0,0,0,0,1|2,0,0]=3 297 B10R1.13 O=C(O)C1=CN=C(I)C=C1 SY310699 [0,0,0,0,0,1|2,0,0]=3 298 B10R1.13 O=C(O)C1=CN=C(O)C=C1 SY004348 [0,0,0,0,0,1|2,0,0]=3 299 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 SY002993 [0,0,0,0,0,1|2,0,0]=3 300 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 SY003477 [0,0,0,0,0,1|3,0,0]=4 301 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 SY018532 [0,0,0,0,0,1|2,0,0]=3 302 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 SY007343 [0,0,0,0,0,1|2,0,0]=3 303 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 SY029327 [0,0,0,0,0,1|3,0,0]=4 304 B10R1.13 O=C(O)C1=NC=C(F)C=C1 SY008116 [0,0,0,0,0,1|2,0,0]=3 305 B10R1.13 O=C(O)C1=NC=C(F)N=C1 SY242638 [0,0,0,0,0,1|2,0,0]=3 306 B10R1.13 O=C(O)C1=NC=C(O)C=C1 SY013072 [0,0,0,0,0,1|2,0,0]=3 307 B10R1.13 O=C(O)C1=NC=C(O)C=C1 SY026499 [0,0,0,0,0,1|2,0,0]=3 308 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 SY181701 [0,0,0,0,0,1|3,0,0]=4 309 B10R1.13 O=C(O)C1=NN=C(Cl)C=C1 SY003010 [0,0,0,0,0,1|3,0,0]=4 310 B10R1.13 O=C(O)C1=NN=C(O)C=C1 SY006732 [0,0,0,0,0,1|3,0,0]=4 311 B10R1.13 O=C(O)C1=NN=C(O)C=C1 SY007138 [0,0,0,0,0,1|3,0,0]=4 312 B10R1.54 CC1=CN(CC(=O)O)N=C1 SY080637 [0,0,0,0,0,1|3,0,0]=4 313 B10R1.54 CC1=NOC(CC(=O)O)=C1 SY128203 [0,0,0,0,0,1|2,0,0]=3 314 B10R1.54 C[N+]1=CN(CC(=O)O)C=C1 SY121949 [0,0,0,0,0,1|3,0,0]=4 315 B10R1.54 NC1=NC(CC(=O)O)=CS1 SY019218 [0,0,0,0,0,1|2,0,0]=3 316 B10R1.54 NC1=NC(CC(=O)O)=CS1 SY026556 [0,0,0,0,0,1|2,0,0]=3 317 B10R1.54 NC1=NNC(CC(=O)O)=C1 SY034307 [0,0,0,0,0,1|3,0,0]=4 318 B10R1.54 O=C(O)CC1=CC=C(Br)S1 SY077014 [0,0,0,0,0,1|3,0,0]=4 319 B10R1.113 C=C(C)C1=CC(C)=CC=C1 SY225337 [0,0,0,0,0,1|3,0,0]=4 320 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 SY020986 [0,0,0,0,0,1|3,0,0]=4 321 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 SY117232 [0,0,0,0,0,1|3,0,0]=4 322 B10R1.113 CC(=O)C1=CC(C)=CC=N1 SY005272 [0,0,0,0,0,1|2,0,0]=3 323 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 SY007670 [0,0,0,0,0,1|3,0,0]=4 324 B10R1.113 CC(=O)C1=CC(F)=CN=C1 SY105167 [0,0,0,0,0,1|3,0,0]=4 325 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 SY001472 [0,0,0,0,0,1|3,0,0]=4 326 B10R1.113 CC(=O)C1=CC=CC(C)=N1 SY015030 [0,0,0,0,0,1|3,0,0]=4 327 B10R1.113 CC(=O)C1=CC=CC(F)=C1 SY007259 [0,0,0,0,0,1|3,0,0]=4 328 B10R1.113 CC(=O)C1=CC=CC(I)=C1 SY109511 [0,0,0,0,0,1|3,0,0]=4 329 B10R1.113 CC(=O)C1=CC=CC(N)=C1 SY001475 [0,0,0,0,0,1|3,0,0]=4 330 B10R1.113 CC(=O)C1=CC=CC(O)=C1 SY004849 [0,0,0,0,0,1|3,0,0]=4 331 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 SY043151 [0,0,0,0,0,1|3,0,0]=4 332 B10R1.113 CC1=CC(B(O)O)=CC=C1 SY002862 [0,0,0,0,0,1|2,0,1]=4 333 B10R1.113 CC1=CC(C(=O)O)=CN=C1 SY004561 [0,0,0,0,0,1|1,0,0]=2 334 B10R1.113 CC1=CC=CC(C(=O)O)=N1 SY004175 [0,0,0,0,0,1|2,0,0]=3 335 B10R1.113 CC1=CN=CC(B(O)O)=C1 SY022719 [0,0,0,0,0,1|2,0,1]=4 336 B10R1.113 CC1=CN=CC(C(=O)O)=N1 SY017452 [0,0,0,0,0,1|2,0,0]=3 337 B10R1.113 CC1=NC=CC(C(=O)O)=C1 SY013049 [0,0,0,0,0,1|1,0,0]=2 338 B10R1.113 CC1=NC=CC([N+](=O)[O-])=C1 SY005034 [0,0,0,0,0,1|2,0,1]=4 339 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 SY001775 [0,0,0,0,0,1|3,0,0]=4 340 B10R1.113 NC(=O)C1=CC(F)=CC=C1 SY016219 [0,0,0,0,0,1|3,0,0]=4 341 B10R1.113 NC(=O)C1=CC(F)=CC=N1 SY007027 [0,0,0,0,0,1|3,0,0]=4 342 B10R1.113 NC(=O)C1=CC(N)=NC=C1 SY017536 [0,0,0,0,0,1|3,0,0]=4 343 B10R1.113 NC(=O)C1=CC(O)=CC=C1 SY004825 [0,0,0,0,0,1|3,0,0]=4 344 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 SY020170 [0,0,0,0,0,1|3,0,0]=4 345 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 SY030316 [0,0,0,0,0,1|3,0,0]=4 346 B10R1.113 NC(=O)C1=CC=CC(I)=C1 SY041741 [0,0,0,0,0,1|3,0,0]=4 347 B10R1.113 NC(=O)C1=CC=CC(N)=C1 SY012693 [0,0,0,0,0,1|3,0,0]=4 348 B10R1.113 NC(=O)C1=CN=CC(F)=C1 SY008440 [0,0,0,0,0,1|3,0,0]=4 349 B10R1.113 NC(=O)C1=CN=CC(N)=C1 SY019492 [0,0,0,0,0,1|3,0,0]=4 350 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 SY007414 [0,0,0,0,0,1|3,0,0]=4 351 B10R1.113 NC(=O)C1=NC=CC(N)=C1 SY105172 [0,0,0,0,0,1|3,0,0]=4 352 B10R1.113 NC(=O)C1=NC=NC(O)=C1 SY247994 [0,0,0,0,0,1|3,0,0]=4 353 B10R1.113 NC1=CC(C(=O)O)=CC=C1 SY001800 [0,0,0,0,0,1|2,0,0]=3 354 B10R1.113 NC1=CC(C(=O)O)=NC=C1 SY009458 [0,0,0,0,0,1|2,0,0]=3 355 B10R1.113 NC1=CC(C(=O)O)=NC=C1 SY023428 [0,0,0,0,0,1|2,0,0]=3 356 B10R1.113 NC1=CC(C(=O)O)=NC=C1 SY026378 [0,0,0,0,0,1|2,0,0]=3 357 B10R1.113 NC1=CC=CC(C(=O)O)=N1 SY005202 [0,0,0,0,0,1|3,0,0]=4 358 B10R1.113 NC1=CN=CC(C(=O)O)=N1 SY017453 [0,0,0,0,0,1|3,0,0]=4 359 B10R1.113 NC1=NC=CC(C(=O)O)=N1 SY021660 [0,0,0,0,0,1|3,0,0]=4 360 B10R1.113 O=C(Cl)C1=CC=CC(F)=C1 SY006091 [0,0,0,0,0,1|3,0,0]=4 361 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 SY017174 [0,0,0,0,0,1|2,0,0]=3 362 B10R1.113 O=C(O)C1=CC(Cl)=CN=C1 SY013173 [0,0,0,0,0,1|2,0,0]=3 363 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 SY003272 [0,0,0,0,0,1|2,0,0]=3 364 B10R1.113 O=C(O)C1=CC(Cl)=NN=C1 SY022238 [0,0,0,0,0,1|2,0,0]=3 365 B10R1.113 O=C(O)C1=CC(F)=CC=N1 SY009049 [0,0,0,0,0,1|2,0,0]=3 366 B10R1.113 O=C(O)C1=CC(F)=NC=C1 SY024079 [0,0,0,0,0,1|2,0,0]=3 367 B10R1.113 O=C(O)C1=CC(I)=NC=C1 SY275245 [0,0,0,0,0,1|2,0,0]=3 368 B10R1.113 O=C(O)C1=CC(O)=NC=C1 SY007554 [0,0,0,0,0,1|2,0,0]=3 369 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 SY001482 [0,0,0,0,0,1|2,0,0]=3 370 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 SY001122 [0,0,0,0,0,1|2,0,0]=3 371 B10R1.113 O=C(O)C1=CC=CC(F)=C1 SY002150 [0,0,0,0,0,1|2,0,0]=3 372 B10R1.113 O=C(O)C1=CC=CC(F)=N1 SY016861 [0,0,0,0,0,1|3,0,0]=4 373 B10R1.113 O=C(O)C1=CC=CC(I)=C1 SY001406 [0,0,0,0,0,1|2,0,0]=3 374 B10R1.113 O=C(O)C1=CC=C[N+]([O-])=C1 SY112140 [0,0,0,0,0,1|3,0,0]=4 375 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 SY001554 [0,0,0,0,0,1|2,0,0]=3 376 B10R1.113 O=C(O)C1=CN=CC(F)=C1 SY005275 [0,0,0,0,0,1|2,0,0]=3 377 B10R1.113 O=C(O)C1=CN=CC(O)=C1 SY003082 [0,0,0,0,0,1|2,0,0]=3 378 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 SY004392 [0,0,0,0,0,1|3,0,0]=4 379 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 SY059121 [0,0,0,0,0,1|3,0,0]=4 380 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 SY121371 [0,0,0,0,0,1|3,0,0]=4 381 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 SY007552 [0,0,0,0,0,1|3,0,0]=4 382 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 SY017455 [0,0,0,0,0,1|3,0,0]=4 383 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 SY009367 [0,0,0,0,0,1|3,0,0]=4 384 B10R1.113 O=C(O)C1=NC(O)=CC=C1 SY003534 [0,0,0,0,0,1|3,0,0]=4 385 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 SY002817 [0,0,0,0,0,1|2,0,0]=3 386 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 SY003269 [0,0,0,0,0,1|2,0,0]=3 387 B10R1.113 O=C(O)C1=NC=CC(I)=C1 SY031004 [0,0,0,0,0,1|2,0,0]=3 388 B10R1.113 O=C(O)C1=NC=CC(O)=C1 SY011044 [0,0,0,0,0,1|2,0,0]=3 389 B10R1.113 O=C(O)C1=NC=CC(O)=C1 SY013177 [0,0,0,0,0,1|2,0,0]=3 390 B10R1.113 O=C(O)C1=NC=NC(O)=C1 SY006725 [0,0,0,0,0,1|2,0,0]=3 391 B10R1.113 O=C1C=C(C(=O)O)C=NN1 SY111927 [0,0,0,0,0,1|2,0,0]=3 392 B10R1.113 O=C1N=C(C(=O)O)C=CN1 SY022754 [0,0,0,0,0,1|3,0,0]=4 393 B7R0.4 CCOC=CC(=O)O SY030136 [1,0,1,0,0,0|0,1,1]=4 394 B7R0.5 CC=CC(C)C(=O)O SY254091 [1,0,1,0,0,0|0,0,2]=4 395 B7R0.6 CC(=O)C=CC(C)=O SY233697 [1,0,1,0,0,0|1,1,0]=4 396 B7R1.1 BrCC1=CSC=C1 SY021673 [2,0,0,0,0,0|1,0,1]=4 397 B7R1.1 CCC1=CSC=C1 SY036406 [2,0,0,0,0,0|1,0,1]=4 398 B7R1.1 N#CC1=CSC=C1 SY017477 [2,0,0,0,0,0|1,0,1]=4 399 B7R1.1 NCC1=CSC=C1 SY006774 [2,0,0,0,0,0|1,0,1]=4 400 B7R1.1 NCC1=CSC=C1 SY018599 [2,0,0,0,0,0|1,0,1]=4 401 B7R1.1 O=CC1=CC=CN1 SY001497 [2,0,0,0,0,0|2,0,0]=4 402 B7R1.1 O=CC1=CN=CO1 SY025934 [2,0,0,0,0,0|2,0,0]=4 403 B7R1.1 O=CC1=CN=CS1 SY005766 [2,0,0,0,0,0|2,0,0]=4 404 B7R1.1 O=CC1=CNC=C1 SY010726 [2,0,0,0,0,0|1,0,0]=3 405 B7R1.1 O=CC1=CNC=N1 SY003074 [2,0,0,0,0,0|2,0,0]=4 406 B7R1.1 O=CC1=CNN=C1 SY013236 [2,0,0,0,0,0|2,0,0]=4 407 B7R1.1 O=CC1=COC=C1 SY013826 [2,0,0,0,0,0|0,1,0]=3 408 B7R1.1 O=CC1=COC=N1 SY051228 [2,0,0,0,0,0|1,1,0]=4 409 B7R1.1 O=CC1=CSC=N1 SY019858 [2,0,0,0,0,0|1,0,0]=3 410 B7R1.1 OCC1=COC=C1 SY033055 [2,0,0,0,0,0|0,1,1]=4 411 B7R1.1 OCC1=CSC=C1 SY017648 [2,0,0,0,0,0|0,0,1]=3 412 B7R1.2 BrC1=CSC(Br)=C1 SY031539 [2,0,0,0,0,0|2,0,0]=4 413 B7R1.2 BrC1=CSC(I)=C1 SY202441 [2,0,0,0,0,0|2,0,0]=4 414 B7R1.2 CC1=CC(Br)=CS1 SY009269 [2,0,0,0,0,0|1,0,0]=3 415 B7R1.2 CC1=NC(Br)=CS1 SY019472 [2,0,0,0,0,0|2,0,0]=4 416 B7R1.2 CC1=NC(N)=CS1 SY120664 [2,0,0,0,0,0|2,0,0]=4 417 B7R1.2 CC1=NOC(O)=C1 SY040816 [2,0,0,0,0,0|2,0,0]=4 418 B7R1.2 CN1C=C(O)C=N1 SY111384 [2,0,0,0,0,0|2,0,0]=4 419 B7R1.2 NC1=CC(Br)=CS1 SY270848 [2,0,0,0,0,0|2,0,0]=4 420 B7R1.2 NC1=CSC(Br)=C1 SY280173 [2,0,0,0,0,0|2,0,0]=4 421 B9R1.7 CC1=NC(CCO)=CS1 SY023469 [1,1,0,0,0,0|1,0,1]=4 422 B9R1.21 CCN1C=C(C=O)C=N1 SY035585 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.21 O=CC1=CC(CO)=CO1 SY273711 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.21 O=CC1=CC=C(CO)O1 SY010869 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.22 CC1=CC(C#N)=C(N)S1 SY020869 [1,1,0,0,0,0|1,0,1]=4 426 B9R1.22 CC1=CC(C)=C(C=O)N1 SY017689 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.22 CC1=NN(C)C(C=O)=C1 SY045459 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.22 CC1=NN(C)C=C1C=O SY030945 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.22 OCC1=C(Br)SC(Br)=C1 SY293111 [1,1,0,0,0,0|1,0,1]=4 430 B9R1.23 CC1=C(C)NC(C=O)=C1 SY284154 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.23 CC1=CC(C=O)=NN1C SY081325 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.132 CC1=C(C)C(C=O)=CS1 SY220323 [1,1,0,0,0,0|0,0,0]=2 433 B9R1.132 CC1=C(C)C(CO)=CS1 SY211311 [1,1,0,0,0,0|0,0,1]=3 434 B9R1.132 CC1=C(C=O)C=NN1C SY079007 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.132 CN1N=CC(C=O)=C1N SY198061 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.11 C#CC(O)C1=CSC=C1 SY045261 [1,1,0,0,0,0|1,0,1]=4 437 B9R1.11 COC(=O)C1=CC=CN1 SY001201 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.11 COC(=O)C1=CC=CS1 SY048432 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.11 COC(=O)C1=CC=NO1 SY078826 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.11 COC(=O)C1=CNC=C1 SY005883 [1,1,0,0,0,0|1,0,0]=3 441 B9R1.11 COC(=O)C1=CNC=N1 SY019856 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.11 COC(=O)C1=CNN=C1 SY011914 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.11 COC(=O)C1=CSC=C1 SY019965 [1,1,0,0,0,0|0,0,0]=2 444 B9R1.11 COC(=O)C1=CSC=N1 SY007519 [1,1,0,0,0,0|1,0,0]=3 445 B9R1.11 COC(=O)C1=NNC=C1 SY013591 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.11 NCC(=O)C1=CSC=C1 SY269123 [1,1,0,0,0,0|1,0,0]=3 447 B9R1.11 O=C(CO)C1=CC=CO1 SY131034 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.11 O=C(CO)C1=CC=CS1 SY131036 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.41 CC(=O)C1=C(N)SC=C1 SY198401 [1,1,0,0,0,0|1,0,0]=3 450 B9R1.41 CC1=C(C(=O)O)C=CS1 SY023486 [1,1,0,0,0,0|0,0,0]=2 451 B9R1.41 CC1=C(C(=O)O)C=NO1 SY003327 [1,1,0,0,0,0|1,1,0]=4 452 B9R1.41 CC1=C(C(=O)O)N=CN1 SY022377 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.41 CC1=C(C(=O)O)N=CO1 SY015419 [1,1,0,0,0,0|1,1,0]=4 454 B9R1.41 CC1=C(C(=O)O)NC=C1 SY007678 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.41 CC1=C(C(=O)O)OC=C1 SY027534 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.41 CC1=C(C(=O)O)OC=N1 SY020521 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.41 CC1=C(C(=O)O)ON=C1 SY025616 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.41 CC1=C(C(=O)O)SC=C1 SY001797 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.41 CC1=C(C(=O)O)SC=N1 SY005876 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.41 CC1=CNN=C1C(=O)O SY008321 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.41 CC1=CON=C1C(=O)O SY102755 [1,1,0,0,0,0|1,1,0]=4 462 B9R1.41 CC1=CSC=C1C(=O)O SY097125 [1,1,0,0,0,0|0,0,0]=2 463 B9R1.41 CC1=NNC=C1C(=O)O SY013801 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.41 CC1=NOC=C1C(=O)O SY014142 [1,1,0,0,0,0|1,1,0]=4 465 B9R1.41 CC1=NSC=C1C(=O)O SY105275 [1,1,0,0,0,0|1,0,0]=3 466 B9R1.41 CN1C=CC=C1C(=O)O SY021564 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.41 CN1C=NC=C1C(=O)O SY003725 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.41 CN1N=CC=C1C(=O)O SY005770 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.41 NC(=O)C1=C(N)SC=C1 SY015489 [1,1,0,0,0,0|1,0,0]=3 470 B9R1.41 NC(=O)C1=C(N)SC=N1 SY009597 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.41 NC1=C(C(=O)O)SC=C1 SY006053 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.41 NC1=CNN=C1C(=O)O SY002456 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.41 NC1=NNC=C1C(=O)O SY002128 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.41 O=C(O)C1=C(Br)C=CO1 SY042666 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.41 O=C(O)C1=C(Br)C=CS1 SY017647 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.41 O=C(O)C1=C(Br)SC=C1 SY016339 [1,1,0,0,0,0|0,0,0]=2 477 B9R1.41 O=C(O)C1=C(Br)SC=N1 SY006172 [1,1,0,0,0,0|1,0,0]=3 478 B9R1.41 O=C(O)C1=C(Cl)C=CS1 SY007125 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.41 O=C(O)C1=C(Cl)SC=C1 SY021357 [1,1,0,0,0,0|0,0,0]=2 480 B9R1.41 O=C(O)C1=C(F)C=CS1 SY019425 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.41 O=C(O)C1=CSC=C1Br SY023658 [1,1,0,0,0,0|0,0,0]=2 482 B9R1.41 O=C(O)C1=NNC=C1Br SY002455 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.41 O=C(O)C1=NNC=C1Cl SY014072 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.41 O=C(O)C1=NNC=C1F SY197291 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.41 O=C(O)C1=NNC=C1I SY062855 [1,1,0,0,0,0|2,0,0]=4 486 B9R1.41 OB(O)C1=C(Cl)SC=C1 SY022320 [1,1,0,0,0,0|1,0,1]=4 487 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 SY024129 [0,1,0,0,0,1|1,0,1]=4 488 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 SY011290 [0,1,0,0,0,1|1,0,1]=4 489 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 SY039033 [0,1,0,0,0,1|2,0,0]=4 490 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 SY002548 [0,1,0,0,0,1|1,0,0]=3 491 B11R1.3 CCC1=CC=C(C(=O)O)C=N1 SY124598 [0,1,0,0,0,1|1,0,0]=3 492 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 SY049093 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 SY011239 [0,1,0,0,0,1|1,0,0]=3 494 B11R1.3 CNC1=NN=C(C(=O)O)C=C1 SY028789 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.3 COC1=CC=C(C(=O)O)C=C1 SY001719 [0,1,0,0,0,1|1,0,0]=3 496 B11R1.3 COC1=CC=C(C(N)=O)C=C1 SY040631 [0,1,0,0,0,1|2,0,0]=4 497 B11R1.3 COC1=CN=C(C(=O)O)C=C1 SY013190 [0,1,0,0,0,1|1,0,0]=3 498 B11R1.3 COC1=CN=C(C(=O)O)C=N1 SY019412 [0,1,0,0,0,1|1,0,0]=3 499 B11R1.3 COC1=CN=C(C(C)=O)C=C1 SY283549 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.3 COC1=NC=C(C(=O)O)C=C1 SY006237 [0,1,0,0,0,1|1,0,0]=3 501 B11R1.3 COC1=NC=C(C(C)=O)C=C1 SY017260 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.3 COC1=NN=C(C(=O)O)C=C1 SY064814 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 SY083792 [0,1,0,0,0,1|1,0,0]=3 504 B11R1.3 N#CC1=CC=C(C(=O)O)C=N1 SY004163 [0,1,0,0,0,1|1,0,1]=4 505 B11R1.3 N#CC1=CN=C(C(=O)O)C=C1 SY032223 [0,1,0,0,0,1|1,0,1]=4 506 B11R1.3 N#CC1=CN=C(C(=O)O)C=N1 SY120715 [0,1,0,0,0,1|1,0,1]=4 507 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 SY106686 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 SY002868 [0,1,0,0,0,1|1,0,0]=3 509 B11R1.3 NCC1=NC=C(C(N)=O)C=C1 SY263512 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 SY018304 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 SY022152 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 SY013021 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 SY003712 [0,1,0,0,0,1|1,0,0]=3 514 B11R1.3 O=C(O)C1=CC=C(CO)N=C1 SY113240 [0,1,0,0,0,1|1,0,0]=3 515 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 SY001684 [0,1,0,0,0,1|1,0,1]=4 516 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 SY007774 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 SY009203 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 SY020914 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 SY026716 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 SY046868 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 SY098109 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 SY099349 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 SY116057 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 SY259034 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 SY265036 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 SY268128 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.21 CC(=O)C1=CC=C(C)C(C)=C1 SY061591 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.21 CC(=O)C1=CC=C(C)C(N)=C1 SY024093 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 SY014466 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.21 CC1=CC(C(=O)O)=CC=C1Br SY005296 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.21 CC1=CC(C(=O)O)=CC=C1F SY007282 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.21 CC1=CC(C(=O)O)=CC=C1N SY005389 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.21 CC1=CC(C(=O)O)=CC=C1O SY002872 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.21 CC1=CC(C(=O)O)=CNC1=O SY034396 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.21 CC1=CC(C(=O)O)=NC=C1Br SY031506 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.21 CC1=CC=C(C(=O)O)C=C1C SY001153 [0,1,0,0,0,1|1,0,0]=3 537 B11R1.21 CC1=CC=C(C(=O)O)C=C1Cl SY003397 [0,1,0,0,0,1|1,0,0]=3 538 B11R1.21 CC1=CC=C(C(=O)O)C=C1F SY013052 [0,1,0,0,0,1|1,0,0]=3 539 B11R1.21 CC1=CC=C(C(=O)O)C=C1I SY002748 [0,1,0,0,0,1|1,0,0]=3 540 B11R1.21 CC1=CC=C(C(=O)O)C=C1N SY001489 [0,1,0,0,0,1|1,0,0]=3 541 B11R1.21 CC1=CC=C(C(=O)O)C=C1O SY003068 [0,1,0,0,0,1|1,0,0]=3 542 B11R1.21 CC1=NC(C(=O)O)=CC=C1Br SY108250 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.21 CN1C=C(C(=O)O)C=CC1=O SY041994 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 SY009233 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.21 NC1=C(Cl)C=C(C(=O)O)C=C1 SY009077 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.21 NC1=C(O)N=CC(C(=O)O)=C1 SY272001 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.21 NC1=CC(C(=O)O)=CC=C1Cl SY001488 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.21 NC1=CC(C(=O)O)=CC=C1F SY009032 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.21 NC1=CC(C(=O)O)=CC=C1O SY002820 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.21 NC1=CC(C(=O)O)=CC=C1O SY059883 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.21 NC1=CC=C(C(=O)O)C=C1Br SY025536 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.21 NC1=CC=C(C(=O)O)C=C1F SY007349 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.21 NC1=CC=C(C(=O)O)C=C1N SY001595 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.21 NC1=CC=C(C(=O)O)C=C1O SY018797 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 SY007563 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.21 O=C(O)C1=CC(F)=C(I)C=C1 SY023172 [0,1,0,0,0,1|2,0,0]=4 557 B11R1.21 O=C(O)C1=CC(I)=C(O)N=C1 SY047818 [0,1,0,0,0,1|2,0,0]=4 558 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 SY012255 [0,1,0,0,0,1|2,0,0]=4 559 B11R1.21 O=C(O)C1=CC=C(Br)C(=O)N1 SY110772 [0,1,0,0,0,1|2,0,0]=4 560 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=C1 SY034395 [0,1,0,0,0,1|2,0,0]=4 561 B11R1.21 O=C(O)C1=CC=C(Br)C(F)=C1 SY008839 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=C1 SY015480 [0,1,0,0,0,1|2,0,0]=4 563 B11R1.21 O=C(O)C1=CC=C(Cl)C(Cl)=C1 SY001131 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.21 O=C(O)C1=CC=C(Cl)C(F)=C1 SY005008 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.21 O=C(O)C1=CC=C(Cl)C(I)=C1 SY030183 [0,1,0,0,0,1|2,0,0]=4 566 B11R1.21 O=C(O)C1=CC=C(Cl)C(O)=C1 SY021851 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.21 O=C(O)C1=CC=C(F)C(Br)=C1 SY002875 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=C1 SY005155 [0,1,0,0,0,1|2,0,0]=4 569 B11R1.21 O=C(O)C1=CC=C(F)C(F)=C1 SY005367 [0,1,0,0,0,1|2,0,0]=4 570 B11R1.21 O=C(O)C1=CC=C(F)C(O)=C1 SY003002 [0,1,0,0,0,1|2,0,0]=4 571 B11R1.21 O=C(O)C1=CC=C(I)C(Br)=C1 SY034738 [0,1,0,0,0,1|2,0,0]=4 572 B11R1.21 O=C(O)C1=CC=C(I)C(O)=C1 SY041688 [0,1,0,0,0,1|2,0,0]=4 573 B11R1.21 O=C(O)C1=CC=C(O)C(F)=C1 SY017183 [0,1,0,0,0,1|2,0,0]=4 574 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 SY014104 [0,1,0,0,0,1|2,0,0]=4 575 B11R1.21 O=C(O)C1=CN=C(Br)C(Br)=C1 SY031454 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 SY002596 [0,1,0,0,0,1|2,0,0]=4 577 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 SY007303 [0,1,0,0,0,1|2,0,0]=4 578 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 SY042893 [0,1,0,0,0,1|2,0,0]=4 579 B11R1.21 O=C(O)C1=CN=C(Cl)C(I)=C1 SY041326 [0,1,0,0,0,1|2,0,0]=4 580 B11R1.21 O=C(O)C1=CN=C(O)C(Cl)=C1 SY007567 [0,1,0,0,0,1|2,0,0]=4 581 B11R1.21 O=C(O)C1=CNC(=O)C(O)=C1 SY028099 [0,1,0,0,0,1|2,0,0]=4 582 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 SY033452 [0,1,0,0,0,1|2,0,0]=4 583 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 SY112665 [0,1,0,0,0,1|2,0,0]=4 584 B11R1.21 O=C(O)C1=NC(Cl)=C(F)C=C1 SY038170 [0,1,0,0,0,1|2,0,0]=4 585 B11R1.21 O=C(O)C1=NC(O)=C(O)C=C1 SY119665 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 SY283036 [0,1,0,0,0,1|1,0,1]=4 587 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 SY022605 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 SY026844 [0,1,0,0,0,1|1,0,0]=3 589 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 SY048426 [0,1,0,0,0,1|2,0,0]=4 590 B11R1.22 CC1=CC=C(C(Cl)=NO)C=C1 SY199094 [0,1,0,0,0,1|2,0,0]=4 591 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 SY049111 [0,1,0,0,0,1|2,0,0]=4 592 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 SY001702 [0,1,0,0,0,1|2,0,0]=4 593 B11R1.22 COC(=O)C1=CC=C(Br)C=N1 SY009344 [0,1,0,0,0,1|2,0,0]=4 594 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 SY017140 [0,1,0,0,0,1|2,0,0]=4 595 B11R1.22 COC(=O)C1=CC=C(F)N=C1 SY022281 [0,1,0,0,0,1|2,0,0]=4 596 B11R1.22 COC(=O)C1=CC=C(O)C=C1 SY006626 [0,1,0,0,0,1|2,0,0]=4 597 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 SY009097 [0,1,0,0,0,1|2,0,0]=4 598 B11R1.22 COC(=O)C1=CN=C(C)C=C1 SY002953 [0,1,0,0,0,1|1,0,0]=3 599 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 SY006706 [0,1,0,0,0,1|2,0,0]=4 600 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 SY019433 [0,1,0,0,0,1|2,0,0]=4 601 B11R1.22 COC(=O)C1=CN=C(I)C=C1 SY026656 [0,1,0,0,0,1|2,0,0]=4 602 B11R1.22 COC(=O)C1=CN=C(N)C=C1 SY006453 [0,1,0,0,0,1|2,0,0]=4 603 B11R1.22 COC(=O)C1=CN=C(N)C=N1 SY006678 [0,1,0,0,0,1|2,0,0]=4 604 B11R1.22 COC(=O)C1=CN=C(N)N=C1 SY014367 [0,1,0,0,0,1|2,0,0]=4 605 B11R1.22 COC(=O)C1=CN=C(O)C=C1 SY032672 [0,1,0,0,0,1|2,0,0]=4 606 B11R1.22 COC(=O)C1=CN=C(O)N=C1 SY041468 [0,1,0,0,0,1|2,0,0]=4 607 B11R1.22 COC(=O)C1=COC(=O)C=C1 SY018974 [0,1,0,0,0,1|1,1,0]=4 608 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 SY018538 [0,1,0,0,0,1|2,0,0]=4 609 B11R1.22 COC(=O)C1=NC=C(C)C=C1 SY046550 [0,1,0,0,0,1|1,0,0]=3 610 B11R1.22 COC(=O)C1=NC=C(C)C=N1 SY040125 [0,1,0,0,0,1|2,0,0]=4 611 B11R1.22 COC(=O)C1=NC=C(C)N=C1 SY024382 [0,1,0,0,0,1|1,0,0]=3 612 B11R1.22 COC(=O)C1=NC=C(Cl)C=C1 SY031483 [0,1,0,0,0,1|2,0,0]=4 613 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 SY018612 [0,1,0,0,0,1|2,0,0]=4 614 B11R1.22 COC(=O)C1=NC=C(F)C=C1 SY096916 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.22 COC(=O)C1=NC=C(N)C=C1 SY031871 [0,1,0,0,0,1|2,0,0]=4 616 B11R1.22 COC(=O)C1=NC=C(N)N=C1 SY098745 [0,1,0,0,0,1|2,0,0]=4 617 B11R1.22 COC(=O)C1=NC=C(O)C=C1 SY021663 [0,1,0,0,0,1|2,0,0]=4 618 B11R1.22 COC(=O)C1=NC=C(O)N=C1 SY031016 [0,1,0,0,0,1|2,0,0]=4 619 B11R1.22 COC(=O)C1=NN=C(C)C=C1 SY007132 [0,1,0,0,0,1|2,0,0]=4 620 B11R1.22 O=C(CO)C1=CC=C(Br)C=C1 SY130953 [0,1,0,0,0,1|2,0,0]=4 621 B11R1.22 O=C(CO)C1=CC=C(Cl)C=C1 SY130959 [0,1,0,0,0,1|2,0,0]=4 622 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 SY130961 [0,1,0,0,0,1|2,0,0]=4 623 B11R1.166 CC(=O)C1=CC=C(C)C=C1O SY037234 [0,1,0,0,0,1|2,0,0]=4 624 B11R1.166 CC1=C(C(=O)O)C=CC(F)=N1 SY022260 [0,1,0,0,0,1|2,0,0]=4 625 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 SY003329 [0,1,0,0,0,1|2,0,0]=4 626 B11R1.166 CC1=CC(Br)=CC=C1C(=O)O SY004437 [0,1,0,0,0,1|2,0,0]=4 627 B11R1.166 CC1=CC(Br)=CN=C1C(=O)O SY018925 [0,1,0,0,0,1|2,0,0]=4 628 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=N1 SY024330 [0,1,0,0,0,1|1,0,0]=3 629 B11R1.166 CC1=CC(Cl)=CC=C1C(=O)O SY017097 [0,1,0,0,0,1|2,0,0]=4 630 B11R1.166 CC1=CC(Cl)=CN=C1C(=O)O SY031482 [0,1,0,0,0,1|2,0,0]=4 631 B11R1.166 CC1=CC(Cl)=NC=C1C(=O)O SY022650 [0,1,0,0,0,1|2,0,0]=4 632 B11R1.166 CC1=CC(F)=CC=C1C(=O)O SY006136 [0,1,0,0,0,1|2,0,0]=4 633 B11R1.166 CC1=CC(F)=CN=C1C(=O)O SY268386 [0,1,0,0,0,1|2,0,0]=4 634 B11R1.166 CC1=CC(F)=NC=C1C(=O)O SY065570 [0,1,0,0,0,1|2,0,0]=4 635 B11R1.166 CC1=CC(I)=CC=C1C(=O)O SY020057 [0,1,0,0,0,1|2,0,0]=4 636 B11R1.166 CC1=CC(N)=NC=C1C(=O)O SY103777 [0,1,0,0,0,1|2,0,0]=4 637 B11R1.166 CC1=CC(O)=C(C(=O)O)C=N1 SY020527 [0,1,0,0,0,1|1,0,0]=3 638 B11R1.166 CC1=CC(O)=CC=C1C(=O)O SY014356 [0,1,0,0,0,1|2,0,0]=4 639 B11R1.166 CC1=CC=C(C(=O)O)C(Br)=C1 SY016461 [0,1,0,0,0,1|1,0,0]=3 640 B11R1.166 CC1=CC=C(C(=O)O)C(C)=C1 SY002565 [0,1,0,0,0,1|1,0,0]=3 641 B11R1.166 CC1=CC=C(C(=O)O)C(C)=N1 SY042929 [0,1,0,0,0,1|1,0,0]=3 642 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=C1 SY026013 [0,1,0,0,0,1|1,0,0]=3 643 B11R1.166 CC1=CC=C(C(=O)O)C(F)=C1 SY004352 [0,1,0,0,0,1|1,0,0]=3 644 B11R1.166 CC1=CC=C(C(=O)O)C(I)=C1 SY245079 [0,1,0,0,0,1|1,0,0]=3 645 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 SY030949 [0,1,0,0,0,1|1,0,0]=3 646 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 SY001921 [0,1,0,0,0,1|1,0,0]=3 647 B11R1.166 CC1=CN=C(C(=O)O)C(Br)=C1 SY031478 [0,1,0,0,0,1|1,0,0]=3 648 B11R1.166 CC1=NC(Cl)=C(C(=O)O)C=C1 SY009352 [0,1,0,0,0,1|1,0,0]=3 649 B11R1.166 CC1=NC(Cl)=CC=C1C(=O)O SY022648 [0,1,0,0,0,1|2,0,0]=4 650 B11R1.166 CC1=NC(O)=C(C(=O)O)C=C1 SY016745 [0,1,0,0,0,1|1,0,0]=3 651 B11R1.166 CC1=NC=C(C(=O)O)C(C)=N1 SY023376 [0,1,0,0,0,1|1,0,0]=3 652 B11R1.166 NC1=C(C(=O)O)C=NC(Cl)=C1 SY097863 [0,1,0,0,0,1|2,0,0]=4 653 B11R1.166 NC1=CC(Br)=CC=C1C(=O)O SY008187 [0,1,0,0,0,1|2,0,0]=4 654 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O SY024163 [0,1,0,0,0,1|2,0,0]=4 655 B11R1.166 NC1=CC(Cl)=CC=C1C(=O)O SY001306 [0,1,0,0,0,1|2,0,0]=4 656 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 SY008893 [0,1,0,0,0,1|2,0,0]=4 657 B11R1.166 NC1=CC(F)=CC=C1C(=O)O SY001835 [0,1,0,0,0,1|2,0,0]=4 658 B11R1.166 NC1=CC(I)=CC=C1C(=O)O SY027629 [0,1,0,0,0,1|2,0,0]=4 659 B11R1.166 NC1=CC(O)=NC=C1C(=O)O SY114225 [0,1,0,0,0,1|2,0,0]=4 660 B11R1.166 NC1=CC=C(C(=O)O)C(Cl)=C1 SY001299 [0,1,0,0,0,1|2,0,0]=4 661 B11R1.166 NC1=CC=C(C(=O)O)C(N)=N1 SY225466 [0,1,0,0,0,1|2,0,0]=4 662 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 SY001079 [0,1,0,0,0,1|2,0,0]=4 663 B11R1.166 NC1=CN=C(C(=O)O)C(Br)=C1 SY287830 [0,1,0,0,0,1|2,0,0]=4 664 B11R1.166 NC1=CN=C(C(=O)O)C(F)=C1 SY264819 [0,1,0,0,0,1|2,0,0]=4 665 B11R1.166 NC1=NC(Cl)=CC=C1C(=O)O SY010196 [0,1,0,0,0,1|2,0,0]=4 666 B11R1.166 NC1=NC=C(C(=O)O)C(Cl)=C1 SY117323 [0,1,0,0,0,1|2,0,0]=4 667 B11R1.166 NC1=NC=C(C(=O)O)C(N)=N1 SY014874 [0,1,0,0,0,1|2,0,0]=4 668 B11R1.166 O=C(O)C1=C(Br)N=C(Br)C=C1 SY013946 [0,1,0,0,0,1|2,0,0]=4 669 B11R1.166 O=C(O)C1=C(Br)N=C(F)C=C1 SY217468 [0,1,0,0,0,1|2,0,0]=4 670 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 SY013482 [0,1,0,0,0,1|2,0,0]=4 671 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 SY007062 [0,1,0,0,0,1|2,0,0]=4 672 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 SY005366 [0,1,0,0,0,1|2,0,0]=4 673 B11R1.166 O=C(O)C1=C(Cl)N=C(Cl)C=C1 SY001971 [0,1,0,0,0,1|2,0,0]=4 674 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 SY005386 [0,1,0,0,0,1|2,0,0]=4 675 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 SY003827 [0,1,0,0,0,1|2,0,0]=4 676 B11R1.166 O=C(O)C1=C(F)C=C(F)N=C1 SY111665 [0,1,0,0,0,1|2,0,0]=4 677 B11R1.166 O=C(O)C1=C(F)C=C(I)C=C1 SY016504 [0,1,0,0,0,1|2,0,0]=4 678 B11R1.166 O=C(O)C1=C(O)C=C(Br)C=C1 SY004396 [0,1,0,0,0,1|2,0,0]=4 679 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 SY013510 [0,1,0,0,0,1|2,0,0]=4 680 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 SY012802 [0,1,0,0,0,1|2,0,0]=4 681 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 SY014322 [0,1,0,0,0,1|2,0,0]=4 682 B11R1.166 O=C(O)C1=CC=C(Br)C=C1Br SY022642 [0,1,0,0,0,1|2,0,0]=4 683 B11R1.166 O=C(O)C1=CC=C(Br)C=C1F SY001099 [0,1,0,0,0,1|2,0,0]=4 684 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I SY041365 [0,1,0,0,0,1|2,0,0]=4 685 B11R1.166 O=C(O)C1=CC=C(Br)N=C1O SY250527 [0,1,0,0,0,1|2,0,0]=4 686 B11R1.166 O=C(O)C1=CC=C(Cl)C=C1Br SY016936 [0,1,0,0,0,1|2,0,0]=4 687 B11R1.166 O=C(O)C1=CC=C(Cl)C=C1I SY034455 [0,1,0,0,0,1|2,0,0]=4 688 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1F SY034691 [0,1,0,0,0,1|2,0,0]=4 689 B11R1.166 O=C(O)C1=CC=C(F)C=C1Br SY011499 [0,1,0,0,0,1|2,0,0]=4 690 B11R1.166 O=C(O)C1=CC=C(F)C=C1I SY047057 [0,1,0,0,0,1|2,0,0]=4 691 B11R1.166 O=C(O)C1=CC=C(F)C=[N+]1[O-] SY297835 [0,1,0,0,0,1|2,0,0]=4 692 B11R1.166 O=C(O)C1=CC=C(F)N=C1F SY022256 [0,1,0,0,0,1|2,0,0]=4 693 B11R1.166 O=C(O)C1=CC=C(I)C=C1Br SY034355 [0,1,0,0,0,1|2,0,0]=4 694 B11R1.166 O=C(O)C1=CC=C(O)C=C1Cl SY002123 [0,1,0,0,0,1|2,0,0]=4 695 B11R1.166 O=C(O)C1=CC=C(O)C=C1Cl SY059550 [0,1,0,0,0,1|2,0,0]=4 696 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl SY038853 [0,1,0,0,0,1|2,0,0]=4 697 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Cl SY007903 [0,1,0,0,0,1|2,0,0]=4 698 B11R1.166 O=C(O)C1=CN=C(O)N=C1O SY008882 [0,1,0,0,0,1|2,0,0]=4 699 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl SY015713 [0,1,0,0,0,1|2,0,0]=4 700 B11R1.166 O=C(O)C1=NC=C(Br)C=C1F SY042020 [0,1,0,0,0,1|2,0,0]=4 701 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Br SY101711 [0,1,0,0,0,1|2,0,0]=4 702 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl SY015573 [0,1,0,0,0,1|2,0,0]=4 703 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1F SY074079 [0,1,0,0,0,1|2,0,0]=4 704 B11R1.166 O=C(O)C1=NC=C(Cl)N=C1Cl SY065280 [0,1,0,0,0,1|2,0,0]=4 705 B11R1.166 O=C(O)C1=NC=C(F)C=C1F SY008959 [0,1,0,0,0,1|2,0,0]=4 706 B11R1.39 COC(=O)CC1=CN=C(C)O1 SY223929 [0,1,0,0,0,1|2,0,0]=4 707 B11R1.39 COC(=O)CC1=CSC(N)=N1 SY122159 [0,1,0,0,0,1|2,0,0]=4 708 B11R1.314 CC1=CC=C(C(N)C(=O)O)S1 SY044856 [0,1,0,0,0,1|2,0,0]=4 709 B11R1.645 CC1=NC(CC(=O)O)=C(C)S1 SY042815 [0,1,0,0,0,1|1,0,0]=3 710 B11R1.645 O=C(O)CC1=CC(=O)OC1=O SY027478 [0,1,0,0,0,1|1,1,0]=4 711 B11R1.23 CC1=CC(C(=O)CO)=CC=C1 SY130975 [0,1,0,0,0,1|1,0,0]=3 712 B11R1.23 CCC(=O)C1=CC=CC(C)=C1 SY004012 [0,1,0,0,0,1|2,0,0]=4 713 B11R1.23 COC(=O)C1=CC(=O)NC=C1 SY027263 [0,1,0,0,0,1|2,0,0]=4 714 B11R1.23 COC(=O)C1=CC(N)=CN=C1 SY013226 [0,1,0,0,0,1|2,0,0]=4 715 B11R1.23 COC(=O)C1=CC(N)=NC=C1 SY003259 [0,1,0,0,0,1|2,0,0]=4 716 B11R1.23 COC(=O)C1=CC(O)=CN=C1 SY003383 [0,1,0,0,0,1|2,0,0]=4 717 B11R1.23 COC(=O)C1=CC(O)=NC=N1 SY016732 [0,1,0,0,0,1|2,0,0]=4 718 B11R1.23 COC(=O)C1=CC=CC(Br)=C1 SY002781 [0,1,0,0,0,1|2,0,0]=4 719 B11R1.23 COC(=O)C1=CC=CC(Cl)=C1 SY033868 [0,1,0,0,0,1|2,0,0]=4 720 B11R1.23 COC(=O)C1=CC=CC(N)=C1 SY031535 [0,1,0,0,0,1|2,0,0]=4 721 B11R1.23 COC(=O)C1=CC=CC(O)=C1 SY001617 [0,1,0,0,0,1|2,0,0]=4 722 B11R1.23 COC(=O)C1=CC=CC(S)=C1 SY124895 [0,1,0,0,0,1|2,0,0]=4 723 B11R1.23 COC(=O)C1=CC=NC(Br)=C1 SY016338 [0,1,0,0,0,1|2,0,0]=4 724 B11R1.23 COC(=O)C1=CC=NC(C)=C1 SY104461 [0,1,0,0,0,1|1,0,0]=3 725 B11R1.23 COC(=O)C1=CC=NC(Cl)=C1 SY016465 [0,1,0,0,0,1|2,0,0]=4 726 B11R1.23 COC(=O)C1=CC=NC(F)=C1 SY047621 [0,1,0,0,0,1|2,0,0]=4 727 B11R1.23 COC(=O)C1=CN=CC(Br)=C1 SY005317 [0,1,0,0,0,1|2,0,0]=4 728 B11R1.23 COC(=O)C1=CN=CC(C)=C1 SY004562 [0,1,0,0,0,1|1,0,0]=3 729 B11R1.23 COC(=O)C1=CN=CC(O)=C1 SY005899 [0,1,0,0,0,1|2,0,0]=4 730 B11R1.23 COC(=O)C1=C[N+](C)=CC=C1 SY281801 [0,1,0,0,0,1|2,0,0]=4 731 B11R1.23 COC(=O)C1=NC(C)=CC=C1 SY030535 [0,1,0,0,0,1|2,0,0]=4 732 B11R1.23 COC(=O)C1=NC(C)=CN=C1 SY023907 [0,1,0,0,0,1|2,0,0]=4 733 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 SY019236 [0,1,0,0,0,1|2,0,0]=4 734 B11R1.23 COC(=O)C1=NC=CC(C)=C1 SY284479 [0,1,0,0,0,1|1,0,0]=3 735 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 SY003263 [0,1,0,0,0,1|2,0,0]=4 736 B11R1.23 COC(=O)C1=NC=CC(F)=C1 SY240688 [0,1,0,0,0,1|2,0,0]=4 737 B11R1.23 COC(=O)C1=NC=CC(I)=C1 SY027672 [0,1,0,0,0,1|2,0,0]=4 738 B11R1.23 COC(=O)C1=NC=CC(N)=C1 SY026101 [0,1,0,0,0,1|2,0,0]=4 739 B11R1.23 COC(=O)C1=NC=CC(O)=C1 SY011047 [0,1,0,0,0,1|2,0,0]=4 740 B11R1.23 COC(=O)C1=NC=NC(Cl)=C1 SY015373 [0,1,0,0,0,1|2,0,0]=4 741 B11R1.23 O=C(CO)C1=CC=CC(Br)=C1 SY130965 [0,1,0,0,0,1|2,0,0]=4 742 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 SY130969 [0,1,0,0,0,1|2,0,0]=4 743 B11R1.23 O=C(CO)C1=CC=CC(F)=C1 SY130967 [0,1,0,0,0,1|2,0,0]=4 744 B11R1.23 O=C(CO)C1=CC=CC(I)=C1 SY130987 [0,1,0,0,0,1|2,0,0]=4 745 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 SY050158 [0,1,0,0,0,1|2,0,0]=4 746 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=C1 SY018398 [0,1,0,0,0,1|1,0,0]=3 747 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 SY009636 [0,1,0,0,0,1|1,0,0]=3 748 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 SY013015 [0,1,0,0,0,1|1,0,0]=3 749 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 SY006023 [0,1,0,0,0,1|1,0,0]=3 750 B11R1.74 CC1=CC(C(=O)O)=CC(F)=C1 SY019007 [0,1,0,0,0,1|1,0,0]=3 751 B11R1.74 CC1=CC(C(=O)O)=NC(Cl)=C1 SY023413 [0,1,0,0,0,1|1,0,0]=3 752 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 SY012192 [0,1,0,0,0,1|1,0,0]=3 753 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=C1 SY023243 [0,1,0,0,0,1|1,0,0]=3 754 B11R1.74 CC1=CC(O)=CC(C(=O)O)=C1 SY012261 [0,1,0,0,0,1|1,0,0]=3 755 B11R1.74 CC1=NC(C(=O)O)=CC(=O)N1 SY045137 [0,1,0,0,0,1|2,0,0]=4 756 B11R1.74 CC1=NC(O)=CC(C(=O)O)=C1 SY024888 [0,1,0,0,0,1|1,0,0]=3 757 B11R1.74 NC1=CC(C(=O)O)=CC(Br)=C1 SY025599 [0,1,0,0,0,1|2,0,0]=4 758 B11R1.74 NC1=CC(C(=O)O)=CC(O)=C1 SY001026 [0,1,0,0,0,1|2,0,0]=4 759 B11R1.74 NC1=CC(C(=O)O)=CC(O)=C1 SY002353 [0,1,0,0,0,1|2,0,0]=4 760 B11R1.74 NC1=CC(Cl)=CC(C(=O)O)=C1 SY007084 [0,1,0,0,0,1|2,0,0]=4 761 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 SY006266 [0,1,0,0,0,1|2,0,0]=4 762 B11R1.74 O=C(O)C1=CC(Br)=CC(I)=C1 SY008050 [0,1,0,0,0,1|2,0,0]=4 763 B11R1.74 O=C(O)C1=CC(Br)=NC(Br)=C1 SY023715 [0,1,0,0,0,1|2,0,0]=4 764 B11R1.74 O=C(O)C1=CC(Cl)=CC(Br)=C1 SY024815 [0,1,0,0,0,1|2,0,0]=4 765 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=C1 SY001678 [0,1,0,0,0,1|2,0,0]=4 766 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 SY012339 [0,1,0,0,0,1|2,0,0]=4 767 B11R1.74 O=C(O)C1=CC(Cl)=NC(F)=C1 SY263366 [0,1,0,0,0,1|2,0,0]=4 768 B11R1.74 O=C(O)C1=CC(F)=CC(Br)=C1 SY016894 [0,1,0,0,0,1|2,0,0]=4 769 B11R1.74 O=C(O)C1=CC(F)=CC(Cl)=C1 SY019216 [0,1,0,0,0,1|2,0,0]=4 770 B11R1.74 O=C(O)C1=CC(F)=CC(F)=C1 SY013820 [0,1,0,0,0,1|2,0,0]=4 771 B11R1.74 O=C(O)C1=CC(F)=NC(F)=C1 SY039470 [0,1,0,0,0,1|2,0,0]=4 772 B11R1.74 O=C(O)C1=CC(I)=CC(Cl)=C1 SY041675 [0,1,0,0,0,1|2,0,0]=4 773 B11R1.74 O=C(O)C1=CC(O)=CC(Br)=C1 SY036587 [0,1,0,0,0,1|2,0,0]=4 774 B11R1.74 O=C(O)C1=CC(O)=CC(Cl)=C1 SY025109 [0,1,0,0,0,1|2,0,0]=4 775 B11R1.74 O=C(O)C1=CC(O)=CC(F)=C1 SY030488 [0,1,0,0,0,1|2,0,0]=4 776 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 SY003472 [0,1,0,0,0,1|2,0,0]=4 777 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=C1 SY057644 [0,1,0,0,0,1|2,0,0]=4 778 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 SY006030 [0,1,0,0,0,1|2,0,0]=4 779 B11R1.159 CC(=O)C1=CC=CC(C)=C1C SY045549 [0,1,0,0,0,1|2,0,0]=4 780 B11R1.159 CC(=O)C1=CC=CC(C)=C1O SY102951 [0,1,0,0,0,1|2,0,0]=4 781 B11R1.159 CC1=C(Br)C(C(=O)O)=CC=C1 SY005150 [0,1,0,0,0,1|1,0,0]=3 782 B11R1.159 CC1=C(Br)C=CC=C1C(=O)O SY004585 [0,1,0,0,0,1|2,0,0]=4 783 B11R1.159 CC1=C(C(=O)O)C=CC=C1F SY017155 [0,1,0,0,0,1|2,0,0]=4 784 B11R1.159 CC1=C(C(=O)O)C=NC=C1Br SY162822 [0,1,0,0,0,1|2,0,0]=4 785 B11R1.159 CC1=C(C)C(C(=O)O)=CC=C1 SY004805 [0,1,0,0,0,1|1,0,0]=3 786 B11R1.159 CC1=C(Cl)C(C(=O)O)=CC=C1 SY014477 [0,1,0,0,0,1|1,0,0]=3 787 B11R1.159 CC1=C(Cl)C=CC=C1C(=O)O SY014306 [0,1,0,0,0,1|2,0,0]=4 788 B11R1.159 CC1=C(Cl)N=CC=C1C(=O)O SY019118 [0,1,0,0,0,1|2,0,0]=4 789 B11R1.159 CC1=C(I)C(C(=O)O)=CC=C1 SY025091 [0,1,0,0,0,1|1,0,0]=3 790 B11R1.159 CC1=C(I)C=CC=C1C(=O)O SY017775 [0,1,0,0,0,1|2,0,0]=4 791 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 SY010470 [0,1,0,0,0,1|1,0,0]=3 792 B11R1.159 CC1=C(N)C=CC=C1C(=O)O SY013487 [0,1,0,0,0,1|2,0,0]=4 793 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 SY014329 [0,1,0,0,0,1|1,0,0]=3 794 B11R1.159 CC1=C(O)C(C(N)=O)=CC=C1 SY033355 [0,1,0,0,0,1|2,0,0]=4 795 B11R1.159 CC1=C(O)C=CC=C1C(=O)O SY001962 [0,1,0,0,0,1|2,0,0]=4 796 B11R1.159 CC1=CC=CC(C(=O)O)=C1F SY014074 [0,1,0,0,0,1|1,0,0]=3 797 B11R1.159 NC1=C(Br)C=CC=C1C(=O)O SY004317 [0,1,0,0,0,1|2,0,0]=4 798 B11R1.159 NC1=C(Cl)C=CC=C1C(=O)O SY030539 [0,1,0,0,0,1|2,0,0]=4 799 B11R1.159 NC1=C(F)C(C(=O)O)=CC=C1 SY110162 [0,1,0,0,0,1|2,0,0]=4 800 B11R1.159 NC1=C(F)C=CC=C1C(=O)O SY005278 [0,1,0,0,0,1|2,0,0]=4 801 B11R1.159 NC1=C(I)C=CC=C1C(=O)O SY027083 [0,1,0,0,0,1|2,0,0]=4 802 B11R1.159 NC1=C(O)C=CC=C1C(=O)O SY030553 [0,1,0,0,0,1|2,0,0]=4 803 B11R1.159 O=C(O)C1=C(Cl)C(Br)=NC=C1 SY032583 [0,1,0,0,0,1|2,0,0]=4 804 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=NC=C1 SY018383 [0,1,0,0,0,1|2,0,0]=4 805 B11R1.159 O=C(O)C1=C(F)C(Br)=NC=C1 SY025118 [0,1,0,0,0,1|2,0,0]=4 806 B11R1.159 O=C(O)C1=C(F)C(Cl)=NC=C1 SY019166 [0,1,0,0,0,1|2,0,0]=4 807 B11R1.159 O=C(O)C1=CC=CC(Br)=C1Cl SY024817 [0,1,0,0,0,1|2,0,0]=4 808 B11R1.159 O=C(O)C1=CC=CC(Br)=C1F SY002982 [0,1,0,0,0,1|2,0,0]=4 809 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1Br SY024816 [0,1,0,0,0,1|2,0,0]=4 810 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1Cl SY023164 [0,1,0,0,0,1|2,0,0]=4 811 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1F SY014701 [0,1,0,0,0,1|2,0,0]=4 812 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1O SY030141 [0,1,0,0,0,1|2,0,0]=4 813 B11R1.159 O=C(O)C1=CC=CC(F)=C1Br SY003121 [0,1,0,0,0,1|2,0,0]=4 814 B11R1.159 O=C(O)C1=CC=CC(F)=C1Cl SY019211 [0,1,0,0,0,1|2,0,0]=4 815 B11R1.159 O=C(O)C1=CC=CC(F)=C1F SY012745 [0,1,0,0,0,1|2,0,0]=4 816 B11R1.159 O=C(O)C1=CC=CC(I)=C1Br SY040811 [0,1,0,0,0,1|2,0,0]=4 817 B11R1.159 O=C(O)C1=CC=CC(I)=C1F SY107047 [0,1,0,0,0,1|2,0,0]=4 818 B11R1.159 O=C(O)C1=CC=CC(O)=C1F SY005530 [0,1,0,0,0,1|2,0,0]=4 819 B11R1.159 O=C(O)C1=CC=CC(O)=C1O SY003494 [0,1,0,0,0,1|2,0,0]=4 820 B11R1.159 O=C(O)C1=CC=NC(F)=C1F SY032247 [0,1,0,0,0,1|2,0,0]=4 821 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1Cl SY012333 [0,1,0,0,0,1|2,0,0]=4 822 B11R1.167 CC(=O)C1=CC(C)=CC=C1O SY048474 [0,1,0,0,0,1|2,0,0]=4 823 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=N1 SY042499 [0,1,0,0,0,1|2,0,0]=4 824 B11R1.167 CC1=C(C(=O)O)C=C(Cl)C=N1 SY038973 [0,1,0,0,0,1|2,0,0]=4 825 B11R1.167 CC1=C(C(=O)O)C=C(F)C=C1 SY004815 [0,1,0,0,0,1|2,0,0]=4 826 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 SY003687 [0,1,0,0,0,1|1,0,0]=3 827 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=C1 SY012919 [0,1,0,0,0,1|1,0,0]=3 828 B11R1.167 CC1=CC(C(=O)O)=C(O)C=C1 SY013534 [0,1,0,0,0,1|1,0,0]=3 829 B11R1.167 CC1=CC=C(Br)C(C(=O)O)=C1 SY017020 [0,1,0,0,0,1|1,0,0]=3 830 B11R1.167 CC1=CC=C(Br)C(C(=O)O)=N1 SY041255 [0,1,0,0,0,1|2,0,0]=4 831 B11R1.167 CC1=CC=C(Cl)C=C1C(=O)O SY002657 [0,1,0,0,0,1|2,0,0]=4 832 B11R1.167 CC1=CC=C(F)C(C(=O)O)=C1 SY016924 [0,1,0,0,0,1|1,0,0]=3 833 B11R1.167 CC1=CC=C(I)C(C(=O)O)=C1 SY017105 [0,1,0,0,0,1|1,0,0]=3 834 B11R1.167 CC1=CC=C(I)C=C1C(=O)O SY021476 [0,1,0,0,0,1|2,0,0]=4 835 B11R1.167 CC1=CC=C(N)C(C(=O)O)=C1 SY002917 [0,1,0,0,0,1|1,0,0]=3 836 B11R1.167 CC1=CC=C(N)C=C1C(=O)O SY031003 [0,1,0,0,0,1|2,0,0]=4 837 B11R1.167 CC1=CC=C(O)C=C1C(=O)O SY013428 [0,1,0,0,0,1|2,0,0]=4 838 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 SY107216 [0,1,0,0,0,1|1,0,0]=3 839 B11R1.167 CC1=CN=C(O)C(C(=O)O)=C1 SY105277 [0,1,0,0,0,1|1,0,0]=3 840 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=N1 SY002955 [0,1,0,0,0,1|2,0,0]=4 841 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=N1 SY060481 [0,1,0,0,0,1|2,0,0]=4 842 B11R1.167 NC1=C(C(=O)O)C=C(F)C=C1 SY004954 [0,1,0,0,0,1|2,0,0]=4 843 B11R1.167 NC1=C(C(=O)O)C=C(F)C=N1 SY041502 [0,1,0,0,0,1|2,0,0]=4 844 B11R1.167 NC1=C(C(=O)O)C=C(F)N=C1 SY046590 [0,1,0,0,0,1|2,0,0]=4 845 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 SY007113 [0,1,0,0,0,1|2,0,0]=4 846 B11R1.167 NC1=C(C(=O)O)C=C(O)C=C1 SY003280 [0,1,0,0,0,1|2,0,0]=4 847 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 SY018051 [0,1,0,0,0,1|2,0,0]=4 848 B11R1.167 NC1=CC=C(Br)C(C(=O)O)=C1 SY013433 [0,1,0,0,0,1|2,0,0]=4 849 B11R1.167 NC1=CC=C(Cl)C=C1C(=O)O SY001607 [0,1,0,0,0,1|2,0,0]=4 850 B11R1.167 NC1=CC=C(F)C(C(=O)O)=C1 SY030633 [0,1,0,0,0,1|2,0,0]=4 851 B11R1.167 NC1=CC=C(O)C(C(=O)O)=C1 SY002854 [0,1,0,0,0,1|2,0,0]=4 852 B11R1.167 NC1=CN=C(Cl)C=C1C(=O)O SY009588 [0,1,0,0,0,1|2,0,0]=4 853 B11R1.167 O=C(O)C1=C(Br)C=CC(Br)=C1 SY013560 [0,1,0,0,0,1|2,0,0]=4 854 B11R1.167 O=C(O)C1=C(Br)C=CC(Cl)=C1 SY013711 [0,1,0,0,0,1|2,0,0]=4 855 B11R1.167 O=C(O)C1=C(Br)C=NC(Cl)=C1 SY024685 [0,1,0,0,0,1|2,0,0]=4 856 B11R1.167 O=C(O)C1=C(Br)N=CC(Cl)=C1 SY024701 [0,1,0,0,0,1|2,0,0]=4 857 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=C1 SY013549 [0,1,0,0,0,1|2,0,0]=4 858 B11R1.167 O=C(O)C1=C(Cl)C=NC(Br)=C1 SY035622 [0,1,0,0,0,1|2,0,0]=4 859 B11R1.167 O=C(O)C1=C(Cl)N=CC(Br)=C1 SY002597 [0,1,0,0,0,1|2,0,0]=4 860 B11R1.167 O=C(O)C1=C(Cl)N=CC(Cl)=C1 SY007500 [0,1,0,0,0,1|2,0,0]=4 861 B11R1.167 O=C(O)C1=C(Cl)N=CC(F)=C1 SY019861 [0,1,0,0,0,1|2,0,0]=4 862 B11R1.167 O=C(O)C1=C(F)C=CC(Cl)=C1 SY017058 [0,1,0,0,0,1|2,0,0]=4 863 B11R1.167 O=C(O)C1=C(F)C=CC(F)=C1 SY009582 [0,1,0,0,0,1|2,0,0]=4 864 B11R1.167 O=C(O)C1=C(F)C=NC(Br)=C1 SY028969 [0,1,0,0,0,1|2,0,0]=4 865 B11R1.167 O=C(O)C1=C(F)C=NC(Cl)=C1 SY003432 [0,1,0,0,0,1|2,0,0]=4 866 B11R1.167 O=C(O)C1=C(I)N=CC(Br)=C1 SY253158 [0,1,0,0,0,1|2,0,0]=4 867 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=C1 SY013536 [0,1,0,0,0,1|2,0,0]=4 868 B11R1.167 O=C(O)C1=C(O)C=CC(F)=C1 SY007435 [0,1,0,0,0,1|2,0,0]=4 869 B11R1.167 O=C(O)C1=C(O)C=CC(O)=C1 SY014321 [0,1,0,0,0,1|2,0,0]=4 870 B11R1.167 O=C(O)C1=C(O)N=CC(Cl)=C1 SY007420 [0,1,0,0,0,1|2,0,0]=4 871 B11R1.167 O=C(O)C1=C(O)N=CC(I)=C1 SY081676 [0,1,0,0,0,1|2,0,0]=4 872 B11R1.167 O=C(O)C1=CC(Br)=CC=C1Cl SY001457 [0,1,0,0,0,1|2,0,0]=4 873 B11R1.167 O=C(O)C1=CC(Br)=CC=C1F SY010172 [0,1,0,0,0,1|2,0,0]=4 874 B11R1.167 O=C(O)C1=CC(Br)=CC=C1I SY015033 [0,1,0,0,0,1|2,0,0]=4 875 B11R1.167 O=C(O)C1=CC(Br)=CN=C1F SY006100 [0,1,0,0,0,1|2,0,0]=4 876 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O SY007562 [0,1,0,0,0,1|2,0,0]=4 877 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1I SY025681 [0,1,0,0,0,1|2,0,0]=4 878 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1F SY004395 [0,1,0,0,0,1|2,0,0]=4 879 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1Cl SY007561 [0,1,0,0,0,1|2,0,0]=4 880 B11R1.167 O=C(O)C1=CC(Cl)=NN=C1Cl SY007613 [0,1,0,0,0,1|2,0,0]=4 881 B11R1.167 O=C(O)C1=CC(Cl)=NNC1=O SY017200 [0,1,0,0,0,1|2,0,0]=4 882 B11R1.167 O=C(O)C1=CC(F)=CC=C1Br SY001902 [0,1,0,0,0,1|2,0,0]=4 883 B11R1.167 O=C(O)C1=CC(F)=CC=C1Cl SY019215 [0,1,0,0,0,1|2,0,0]=4 884 B11R1.167 O=C(O)C1=CC(F)=CC=C1I SY030950 [0,1,0,0,0,1|2,0,0]=4 885 B11R1.167 O=C(O)C1=CC(I)=CC=C1Br SY013658 [0,1,0,0,0,1|2,0,0]=4 886 B11R1.167 O=C(O)C1=CC(I)=CC=C1Cl SY006737 [0,1,0,0,0,1|2,0,0]=4 887 B11R1.167 O=C(O)C1=CC(I)=CC=C1F SY018260 [0,1,0,0,0,1|2,0,0]=4 888 B11R1.167 O=C(O)C1=CC(I)=CC=C1I SY062550 [0,1,0,0,0,1|2,0,0]=4 889 B11R1.167 O=C(O)C1=CC(I)=CC=C1O SY049057 [0,1,0,0,0,1|2,0,0]=4 890 B11R1.167 O=C(O)C1=CC(O)=CC=C1F SY021836 [0,1,0,0,0,1|2,0,0]=4 891 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 SY003231 [0,1,0,0,0,1|1,0,1]=4 892 B11R1.266 CCC1=NC=CC(C(=O)O)=C1 SY085469 [0,1,0,0,0,1|1,0,0]=3 893 B11R1.266 CNC1=CC(C(=O)O)=CN=C1 SY003374 [0,1,0,0,0,1|1,0,0]=3 894 B11R1.266 COC1=CC(C(=O)O)=CC=C1 SY002325 [0,1,0,0,0,1|1,0,0]=3 895 B11R1.266 COC1=CC(C(=O)O)=NC=C1 SY003218 [0,1,0,0,0,1|1,0,0]=3 896 B11R1.266 COC1=CC(C(C)=O)=CC=C1 SY003673 [0,1,0,0,0,1|2,0,0]=4 897 B11R1.266 COC1=CC(C(N)=O)=CN=C1 SY271479 [0,1,0,0,0,1|2,0,0]=4 898 B11R1.266 COC1=CC=CC(C(=O)O)=N1 SY007551 [0,1,0,0,0,1|2,0,0]=4 899 B11R1.266 COC1=CN=CC(C(=O)O)=C1 SY101244 [0,1,0,0,0,1|1,0,0]=3 900 B11R1.266 COC1=NC(C(=O)O)=CN=C1 SY004494 [0,1,0,0,0,1|2,0,0]=4 901 B11R1.266 CSC1=CC(C(=O)O)=CC=C1 SY115628 [0,1,0,0,0,1|1,0,0]=3 902 B11R1.266 CSC1=NC(C(=O)O)=CC=N1 SY024244 [0,1,0,0,0,1|2,0,0]=4 903 B11R1.266 N#CC1=CC(C(=O)O)=CN=C1 SY029381 [0,1,0,0,0,1|1,0,1]=4 904 B11R1.266 N#CC1=CC(C(=O)O)=NC=C1 SY029383 [0,1,0,0,0,1|1,0,1]=4 905 B11R1.266 N#CC1=NC=CC(C(=O)O)=C1 SY013088 [0,1,0,0,0,1|1,0,1]=4 906 B11R1.266 NC(=O)C1=CC=CC(CBr)=C1 SY113429 [0,1,0,0,0,1|2,0,0]=4 907 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 SY018502 [0,1,0,0,0,1|1,0,0]=3 908 B11R1.266 NNC1=CC(C(=O)O)=CC=C1 SY022176 [0,1,0,0,0,1|2,0,0]=4 909 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 SY018871 [0,1,0,0,0,1|1,0,0]=3 910 B11R1.266 O=C(O)C1=CC=CC(CO)=C1 SY110718 [0,1,0,0,0,1|1,0,0]=3 911 B11R1.266 O=CC1=CC(C(=O)O)=CC=C1 SY003064 [0,1,0,0,0,1|1,0,1]=4 912 B11R1.15 CCOC(=O)C1=CC(C)=NN1 SY003120 [0,2,0,0,0,0|2,0,0]=4 913 B11R1.15 CCOC(=O)C1=CC=C(C)N1 SY005566 [0,2,0,0,0,0|2,0,0]=4 914 B11R1.15 CCOC(=O)C1=CN(C)C=C1 SY224497 [0,2,0,0,0,0|2,0,0]=4 915 B11R1.15 CCOC(=O)C1=CN=C(C)S1 SY033439 [0,2,0,0,0,0|2,0,0]=4 916 B11R1.15 CCOC(=O)C1=COC(C)=N1 SY013321 [0,2,0,0,0,0|1,1,0]=4 917 B11R1.15 CCOC(=O)C1=CSC(Br)=C1 SY059739 [0,2,0,0,0,0|1,0,0]=3 918 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 SY004498 [0,2,0,0,0,0|2,0,0]=4 919 B11R1.15 CCOC(=O)C1=CSC(C)=N1 SY007185 [0,2,0,0,0,0|1,0,0]=3 920 B11R1.15 CCOC(=O)C1=CSC(Cl)=N1 SY039949 [0,2,0,0,0,0|2,0,0]=4 921 B11R1.15 CCOC(=O)C1=CSC(F)=N1 SY023346 [0,2,0,0,0,0|2,0,0]=4 922 B11R1.15 CCOC(=O)C1=CSC(N)=N1 SY003333 [0,2,0,0,0,0|2,0,0]=4 923 B11R1.44 CCC1=NNC(C(=O)OC)=C1 SY019650 [0,2,0,0,0,0|2,0,0]=4 924 B11R1.44 COC(=O)C1=CC=C(OC)S1 SY022426 [0,2,0,0,0,0|2,0,0]=4 925 B11R1.225 CC1=CC(C(=O)CO)=C(C)S1 SY131037 [0,2,0,0,0,0|0,0,0]=2 926 B11R1.225 CC1=NC(C)=C(C(=O)CO)S1 SY131040 [0,2,0,0,0,0|2,0,0]=4 927 B11R1.225 COC(=O)C1=C(Br)SC(Br)=N1 SY109838 [0,2,0,0,0,0|2,0,0]=4 928 B11R1.225 COC(=O)C1=C(Br)SC(N)=N1 SY005525 [0,2,0,0,0,0|2,0,0]=4 929 B11R1.225 COC(=O)C1=C(C)NC(C)=C1 SY101030 [0,2,0,0,0,0|1,0,0]=3 930 B11R1.225 COC(=O)C1=C(C)SC(Br)=N1 SY110326 [0,2,0,0,0,0|2,0,0]=4 931 B11R1.225 COC(=O)C1=C(N)C=C(C)O1 SY295298 [0,2,0,0,0,0|2,0,0]=4 932 B11R1.225 COC(=O)C1=C(N)C=C(C)S1 SY040396 [0,2,0,0,0,0|2,0,0]=4 933 B11R1.225 COC(=O)C1=C(N)SC(Cl)=C1 SY057672 [0,2,0,0,0,0|1,0,0]=3 934 B11R1.225 NCC(=O)C1=C(Br)SC(Br)=C1 SY034498 [0,2,0,0,0,0|2,0,0]=4 935 B11R1.226 COC(=O)C1=CN(C)C(Br)=C1 SY302356 [0,2,0,0,0,0|2,0,0]=4 936 B11R1.865 COC(=O)C1=C(N)C(C)=CS1 SY012772 [0,2,0,0,0,0|2,0,0]=4 937 B11R1.48 CCN1N=C(C(=O)O)C=C1C SY038490 [0,2,0,0,0,0|2,0,0]=4 938 B11R1.124 CCCC1=NC(C(=O)O)=CO1 SY058467 [0,2,0,0,0,0|1,1,0]=4 939 B11R1.124 CCOC1=CC=C(C(=O)O)S1 SY022428 [0,2,0,0,0,0|2,0,0]=4 940 B11R1.175 CC(=O)C1=CC(C(=O)O)=NN1 SY081850 [0,2,0,0,0,0|2,0,0]=4 941 B11R1.175 CC(=O)C1=CC([N+](=O)[O-])=CS1 SY094061 [0,2,0,0,0,0|1,0,1]=4 942 B11R1.175 CC(=O)C1=CC=C(C(=O)O)S1 SY050152 [0,2,0,0,0,0|2,0,0]=4 943 B11R1.175 CC(=O)N1C=CC(C(=O)O)=C1 SY272642 [0,2,0,0,0,0|2,0,0]=4 944 B11R1.175 CC(C)C1=CC(C(=O)O)=NN1 SY027523 [0,2,0,0,0,0|2,0,0]=4 945 B11R1.175 CC(C)C1=NC(C(=O)O)=CO1 SY058470 [0,2,0,0,0,0|1,1,0]=4 946 B11R1.175 CC(C)N1C=C(C(=O)O)C=N1 SY079030 [0,2,0,0,0,0|2,0,0]=4 947 B11R1.175 O=C(O)C1=CSC([N+](=O)[O-])=C1 SY032172 [0,2,0,0,0,0|1,0,0]=3 948 B11R1.49 CCN1N=C(C)C=C1C(=O)O SY027472 [0,2,0,0,0,0|2,0,0]=4 949 B11R1.673 CC1=NN(C)C(C)=C1C(=O)O SY064142 [0,2,0,0,0,0|2,0,0]=4 950 B9R1.6 O=C(O)C1=CC=CC=C1 SY009192 [0,0,1,1,0,0|1,0,1]=4 951 B9R1.6 O=C(O)C1=CN=CC=C1 SY011111 [0,0,1,1,0,0|1,0,1]=4 952 B9R1.6 O=C(O)C1=CN=CN=C1 SY004100 [0,0,1,1,0,0|2,0,0]=4 953 B7R0.16 C=C(C(=O)O)C(=O)O SY285531 [0,0,1,0,1,0|1,1,0]=4 954 B7R1.12 CC1=CC1C(=O)O SY273475 [0,0,0,0,2,0|0,0,1]=3 955 B9R1.2 C(=O)C1=CC(F)=CN=C1 SY022265 [1,0,0,0,0,1|2,0,0]=4 956 B9R1.2 CC1=CC(C=O)=CC=C1 SY001146 [1,0,0,0,0,1|1,0,0]=3 957 B9R1.2 CC1=CC(C=O)=CN=C1 SY107463 [1,0,0,0,0,1|1,0,0]=3 958 B9R1.2 CC1=CC(C=O)=NC=C1 SY022270 [1,0,0,0,0,1|1,0,0]=3 959 B9R1.2 CC1=CC(CO)=CC=C1 SY049022 [1,0,0,0,0,1|1,0,1]=4 960 B9R1.2 CC1=CC=CC(C=O)=N1 SY007849 [1,0,0,0,0,1|2,0,0]=4 961 B9R1.2 CC1=NC=CC(C=O)=C1 SY026484 [1,0,0,0,0,1|1,0,0]=3 962 B9R1.2 CC1=NC=CC(C=O)=N1 SY037571 [1,0,0,0,0,1|2,0,0]=4 963 B9R1.2 O=CC1=CC(Br)=CN=C1 SY003415 [1,0,0,0,0,1|2,0,0]=4 964 B9R1.2 O=CC1=CC(Cl)=NC=C1 SY025970 [1,0,0,0,0,1|2,0,0]=4 965 B9R1.2 O=CC1=CC(O)=CN=C1 SY025951 [1,0,0,0,0,1|2,0,0]=4 966 B9R1.2 O=CC1=CC=CC(Br)=C1 SY001442 [1,0,0,0,0,1|2,0,0]=4 967 B9R1.2 O=CC1=CC=CC(I)=C1 SY011761 [1,0,0,0,0,1|2,0,0]=4 968 B9R1.2 O=CC1=CC=CC(O)=C1 SY001091 [1,0,0,0,0,1|2,0,0]=4 969 B9R1.2 O=CC1=NC=CC(Br)=C1 SY013125 [1,0,0,0,0,1|2,0,0]=4 970 B9R1.2 O=CC1=NC=CC(Cl)=C1 SY024151 [1,0,0,0,0,1|2,0,0]=4 971 B9R1.13 CC(=O)NC1=CSC=C1 SY002880 [1,0,0,0,0,1|1,0,0]=3 972 B9R1.13 O=C(O)CC1=CC=CN1 SY010732 [1,0,0,0,0,1|2,0,0]=4 973 B9R1.13 O=C(O)CC1=CC=NN1 SY045525 [1,0,0,0,0,1|2,0,0]=4 974 B9R1.13 O=C(O)CC1=CC=NO1 SY226123 [1,0,0,0,0,1|2,0,0]=4 975 B9R1.13 O=C(O)CC1=CN=CO1 SY129690 [1,0,0,0,0,1|2,0,0]=4 976 B9R1.13 O=C(O)CC1=CNC=N1 SY009288 [1,0,0,0,0,1|2,0,0]=4 977 B9R1.13 O=C(O)CC1=CSC=C1 SY001354 [1,0,0,0,0,1|0,0,0]=2 978 B9R1.13 O=C(O)CC1=CSC=N1 SY008170 [1,0,0,0,0,1|1,0,0]=3 979 B9R1.13 O=C(O)CC1=CSC=N1 SY023095 [1,0,0,0,0,1|1,0,0]=3 980 B9R1.13 O=C(O)CC1=NNC=C1 SY274439 [1,0,0,0,0,1|2,0,0]=4 981 B9R1.13 O=C(O)CN1C=CN=C1 SY003214 [1,0,0,0,0,1|2,0,0]=4 982 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 SY042746 [0,0,0,0,0,2|2,0,0]=4 983 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 SY035719 [0,0,0,0,0,2|2,0,0]=4 984 B11R1.20 CC1=CC=C(CC(=O)Cl)C=C1 SY246635 [0,0,0,0,0,2|2,0,0]=4 985 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 SY013543 [0,0,0,0,0,2|1,0,0]=3 986 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 SY031092 [0,0,0,0,0,2|1,0,0]=3 987 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 SY001637 [0,0,0,0,0,2|2,0,0]=4 988 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 SY001685 [0,0,0,0,0,2|2,0,0]=4 989 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 SY041953 [0,0,0,0,0,2|2,0,0]=4 990 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 SY001347 [0,0,0,0,0,2|2,0,0]=4 991 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 SY016997 [0,0,0,0,0,2|2,0,0]=4 992 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 SY004128 [0,0,0,0,0,2|2,0,0]=4 993 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 SY097003 [0,0,0,0,0,2|2,0,0]=4 994 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 SY039154 [0,0,0,0,0,2|2,0,0]=4 995 B11R1.157 CC1=CC(CC(=O)O)=CC=C1 SY048780 [0,0,0,0,0,2|1,0,0]=3 996 B11R1.157 CC1=CC(OC(=O)Cl)=CC=C1 SY203736 [0,0,0,0,0,2|2,0,0]=4 997 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 SY249639 [0,0,0,0,0,2|2,0,0]=4 998 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 SY004367 [0,0,0,0,0,2|2,0,0]=4 999 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 SY004837 [0,0,0,0,0,2|2,0,0]=4 1000 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 SY001712 [0,0,0,0,0,2|2,0,0]=4 1001 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 SY032267 [0,0,0,0,0,2|2,0,0]=4 1002 B11R1.157 O=C(O)CC1=CC=CC(O)=C1 SY013505 [0,0,0,0,0,2|2,0,0]=4