0 B8R1.1 CC1=CC(C=O)=CS1 DY443650 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.1 CC1=CC=C(C#N)N1 NO16878 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.1 CC1=CC=C(C=O)N1 NO10436 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.1 CC1=CC=C(C=O)S1 DY20284 [0,0,0,0,0,0|2,1,0]=3 4 B8R1.1 CC1=CNC(C#N)=N1 NO17142 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.1 CC1=CNC(CO)=C1 DY717969 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.1 CC1=CSC(CO)=N1 DY520509 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.1 CC1=NC(C=O)=CN1 DY584489 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.1 CC1=NC=C(C=O)O1 DY773127 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.1 CC1=NC=C(C=O)S1 DY21171 [0,0,0,0,0,0|3,1,0]=4 10 B8R1.1 CC1=NC=C(CN)S1 DY564495 [0,0,0,0,0,0|3,1,0]=4 11 B8R1.1 CCC1=CC(C)=CS1 DY447443 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.1 CCC1=CN=C(Br)S1 DY786274 [0,0,0,0,0,0|3,1,0]=4 13 B8R1.1 CCC1=CN=C(N)S1 DY518967 [0,0,0,0,0,0|3,1,0]=4 14 B8R1.1 CCC1=CSC(N)=N1 DY544221 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.1 CCC1=NC=C(C)N1 DY580743 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.1 CCN1C=CC(I)=N1 DY645182 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.1 CC[N+]1=CN(C)C=C1 DY565521 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.1 CN1C=CC(C#N)=N1 NO20751 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.1 CN1C=CC(C=O)=N1 NO18204 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.1 CN1C=CC(CCl)=N1 DY646990 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.1 CSC1=NC(N)=NS1 DY796761 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.1 CSC1=NNC(N)=C1 NO16036 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.1 ClCC1=CC=C(Cl)S1 NO17500 [0,0,0,0,0,0|3,1,0]=4 24 B8R1.1 N#CC1=CC=C(Br)S1 NO10307 [0,0,0,0,0,0|3,1,0]=4 25 B8R1.1 NCC1=CC=C(Br)O1 DY432586 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.1 NCC1=CC=C(Br)O1 DY759704 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.1 O=C1C=C[C@@H](CO)O1 DY20390 [0,0,0,0,0,0|3,0,1]=4 28 B8R1.1 O=CC1=CC=C(Br)S1 NO18323 [0,0,0,0,0,0|3,1,0]=4 29 B8R1.1 O=CC1=CC=C(Cl)N1 DY718245 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.1 OCC1=CC=C(Br)O1 NO15423 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.1 OCC1=CN=C(Br)O1 DY772959 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.1 CCC1=NC=CN1 NO21533 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.1 CCN1C=CC=N1 NO20681 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.1 CNC1=CC=CS1 DY786838 [1,0,0,0,0,0|1,1,0]=3 35 B7R1.1 CNC1=NNC=C1 DY555147 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.1 COC1=CC=CO1 DY759896 [1,0,0,0,0,0|0,1,0]=2 37 B7R1.1 COC1=CNC=N1 DY725797 [1,0,0,0,0,0|2,1,0]=4 38 B7R1.1 COC1=CSC=C1 NO22351 [1,0,0,0,0,0|2,1,0]=4 39 B7R1.1 COC1=NC=CS1 NO22597 [1,0,0,0,0,0|1,2,0]=4 40 B7R1.1 CSC1=NC=CO1 NO17723 [1,0,0,0,0,0|1,0,0]=2 41 B7R1.1 ClCC1=CC=CO1 NO13429 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.1 ClCC1=CN=CO1 DY114644 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 N#CC1=CC=CS1 NO22701 [1,0,0,0,0,0|2,1,0]=4 44 B7R1.1 N#CC1=CC=NO1 NO17495 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.1 NCC1=CC=CN1 NO14874 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.1 NCC1=CC=CS1 NO22783 [1,0,0,0,0,0|2,1,0]=4 47 B7R1.1 NCC1=CN=CO1 NO17502 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.1 NCC1=CN=CO1 NO18508 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.1 NCC1=NC=CO1 DY773829 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.1 O=CC1=CC=CN1 NO17764 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.1 O=CC1=CC=CS1 NO16400 [1,0,0,0,0,0|2,1,0]=4 52 B7R1.1 O=CC1=NC=CO1 DY565689 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.1 OCC1=CC=NO1 NO15343 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.2 BrC1=CC=C(Br)S1 NO22553 [1,0,0,0,0,0|2,1,0]=4 55 B7R1.2 CC1=CC(Br)=CS1 NO22736 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.2 CC1=CC(C)=NN1 NO19982 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.2 CC1=CC(C)=NO1 NO14107 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.2 CC1=CC(N)=CS1 DY786994 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.2 CC1=CC=C(Br)O1 DY513585 [1,0,0,0,0,0|1,0,0]=2 60 B7R1.2 CC1=CC=C(Br)S1 NO22735 [1,0,0,0,0,0|1,1,0]=3 61 B7R1.2 CC1=CC=C(C)N1 NO21153 [1,0,0,0,0,0|1,0,0]=2 62 B7R1.2 CC1=CC=C(Cl)S1 DY451354 [1,0,0,0,0,0|1,1,0]=3 63 B7R1.2 CC1=CC=C(I)S1 DY530097 [1,0,0,0,0,0|1,1,0]=3 64 B7R1.2 CC1=CC=C(N)S1 DY787300 [1,0,0,0,0,0|1,1,0]=3 65 B7R1.2 CC1=CC=C(N)S1 DY787384 [1,0,0,0,0,0|1,1,0]=3 66 B7R1.2 CC1=CCC(=O)O1 DY562161 [1,0,0,0,0,0|0,1,1]=3 67 B7R1.2 CC1=CN(C)N=C1 NO20542 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.2 CC1=CN=C(Br)S1 NO12301 [1,0,0,0,0,0|2,1,0]=4 69 B7R1.2 CC1=CN=C(C)S1 NO22782 [1,0,0,0,0,0|1,1,0]=3 70 B7R1.2 CC1=CN=C(N)S1 NO21821 [1,0,0,0,0,0|2,1,0]=4 71 B7R1.2 CC1=CNC(C)=N1 NO21117 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.2 CC1=COC(C)=N1 DY568869 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.2 CC1=CSC(Br)=N1 NO18300 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.2 CC1=CSC(C)=N1 NO22781 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.2 CC1=CSC(I)=N1 DY549783 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.2 CC1=CSC(N)=N1 DY785716 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.2 CC1=NC(Br)=CS1 DY547065 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.2 CC1=NC(N)=CO1 DY773883 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.2 CC1=NC=C(I)N1 NO19295 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.2 CC1=NC=C(N)N1 DY445566 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.2 CC1=NC=C(N)S1 NO15937 [1,0,0,0,0,0|2,1,0]=4 82 B7R1.2 CC1=NCC(=O)O1 DY774159 [1,0,0,0,0,0|1,1,1]=4 83 B7R1.2 CC1=NN=C(C)O1 NO15161 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.2 CC1=NNC(=O)O1 NO10427 [1,0,0,0,0,0|2,1,0]=4 85 B7R1.2 CN1C=CC(Br)=N1 NO20720 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.2 CN1C=CC(N)=C1 NO17699 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.2 ClC1=CC=C(Cl)S1 DY548247 [1,0,0,0,0,0|2,1,0]=4 88 B7R1.2 NC1=NC=C(Br)O1 DY522675 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.2 O=C1C=CC(=O)O1 DY743137 [1,0,0,0,0,0|1,1,0]=3 90 B9R1.7 CC1=NC(CCCl)=CS1 DY605062 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.7 CNCC1=NC(C)=CN1 DY611361 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.7 OCCC1=CC=C(Br)S1 DY447413 [0,1,0,0,0,0|2,1,0]=4 93 B9R1.21 CCC1=CSC(CN)=N1 DY602955 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.21 CCC1=NN=C(CCl)O1 DY586047 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.21 N#CC1=CC=C(CBr)S1 NO10149 [0,1,0,0,0,0|2,1,0]=4 96 B9R1.21 N#CC1=CC=C(CO)S1 DY787144 [0,1,0,0,0,0|2,1,0]=4 97 B9R1.21 NCC1=CC=C(CO)O1 DY577929 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.21 O=CC1=CC=C(C=O)O1 DY20959 [0,1,0,0,0,0|2,0,1]=4 99 B9R1.21 O=CC1=CC=C(CO)N1 NO16660 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.21 O=CC1=CC=C(CO)O1 NO15585 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.21 OCC1=CC=C(CO)O1 NO10151 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.22 CC1=CC(N)=C(C#N)S1 DY787672 [0,1,0,0,0,0|2,1,0]=4 103 B9R1.22 CCN1N=C(C)C=C1N DY645188 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.23 CCC1=NC(C)=C(Br)S1 DY785182 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.23 CNC1=NN(C)C(C)=C1 DY584329 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.35 CC(=O)C1=CC=C(Br)O1 NO20429 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.35 CC(=O)C1=CC=C(C)S1 NO20396 [0,1,0,0,0,0|1,1,0]=3 108 B9R1.35 CC(=O)C1=CC=C(Cl)S1 NO21209 [0,1,0,0,0,0|2,1,0]=4 109 B9R1.35 CC(=O)C1=CSC(C)=N1 DY542865 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.35 CC(=O)C1=NC(C)=CO1 NO16603 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.35 CC1=CC=C(C(=O)O)O1 NO19440 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.35 CC1=CC=C(C(=O)O)S1 NO23027 [0,1,0,0,0,0|2,1,0]=4 113 B9R1.35 CC1=NC(C(C)N)=CS1 DY548289 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.35 O=C(O)C1=CC=C(Br)O1 NO22685 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.35 O=C(O)C1=CC=C(Cl)O1 NO10327 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.132 CC1=CC=C(C=O)N1C DY510350 [0,1,0,0,0,0|3,0,0]=4 117 B7R0.2 CCC(=O)OC(C)=O NO16382 [0,0,1,0,0,0|3,0,0]=4 118 B7R0.3 CC\C=C\C(=O)OC DY741019 [0,0,1,0,0,0|0,1,2]=4 119 B7R0.3 CO\C=C\C(=O)OC NO11630 [0,0,1,0,0,0|1,1,1]=4 120 B7R0.4 CCO\C=C\C(=O)O NO22271 [0,0,1,0,0,0|3,0,0]=4 121 B7R0.4 C\C=C\C=C\C(=O)[O-] NO11961 [0,0,1,0,0,0|2,0,1]=4 122 B9R1.1 C#CC1=CN=C(C)C=C1 DY606273 [0,0,0,0,0,1|2,0,1]=4 123 B9R1.1 CC1=CC=C(C#N)C=C1 NO19807 [0,0,0,0,0,1|3,0,0]=4 124 B9R1.1 CC1=CC=C(CBr)C=C1 NO22969 [0,0,0,0,0,1|3,0,0]=4 125 B9R1.1 CC1=CC=C(CCl)C=C1 DY40603 [0,0,0,0,0,1|3,0,0]=4 126 B9R1.1 CC1=CC=C(CN)C=C1 NO22970 [0,0,0,0,0,1|3,0,0]=4 127 B9R1.1 CC1=CC=C(CN)N=N1 DY100078 [0,0,0,0,0,1|3,0,0]=4 128 B9R1.1 CC1=CC=C(CO)C=C1 NO19704 [0,0,0,0,0,1|3,0,0]=4 129 B9R1.1 CC1=CC=C(CO)C=N1 DY21041 [0,0,0,0,0,1|3,0,0]=4 130 B9R1.1 CC1=CC=C(NN)C=C1 NO19576 [0,0,0,0,0,1|3,0,0]=4 131 B9R1.1 CC1=CC=C(NN)N=N1 NO22373 [0,0,0,0,0,1|3,0,0]=4 132 B9R1.1 CC1=CN=C(C#N)C=C1 NO13787 [0,0,0,0,0,1|3,0,0]=4 133 B9R1.1 CC1=CN=C(C=O)C=C1 NO19088 [0,0,0,0,0,1|3,0,0]=4 134 B9R1.1 CC1=CN=C(CN)C=C1 DY711847 [0,0,0,0,0,1|3,0,0]=4 135 B9R1.1 CC1=CN=C(CN)C=C1 NO18319 [0,0,0,0,0,1|3,0,0]=4 136 B9R1.1 CC1=NC=C(C#N)C=C1 NO14144 [0,0,0,0,0,1|3,0,0]=4 137 B9R1.1 CC1=NC=C(C=O)C=C1 NO19116 [0,0,0,0,0,1|3,0,0]=4 138 B9R1.1 CC1=NC=C(CCl)C=C1 DY585961 [0,0,0,0,0,1|3,0,0]=4 139 B9R1.1 CCC1=CC=C(Br)C=C1 NO10865 [0,0,0,0,0,1|3,0,0]=4 140 B9R1.1 CCC1=CC=C(Cl)C=C1 DY584444 [0,0,0,0,0,1|3,0,0]=4 141 B9R1.1 CCC1=CC=C(F)C=C1 DY20965 [0,0,0,0,0,1|3,0,0]=4 142 B9R1.1 CCC1=CC=C(I)C=C1 DY20189 [0,0,0,0,0,1|3,0,0]=4 143 B9R1.1 CCC1=CC=C(N)C=N1 DY515529 [0,0,0,0,0,1|3,0,0]=4 144 B9R1.1 CCC1=CC=C(O)C=C1 DY20188 [0,0,0,0,0,1|3,0,0]=4 145 B9R1.1 CCC1=CN=C(Br)C=C1 NO13124 [0,0,0,0,0,1|3,0,0]=4 146 B9R1.1 CCC1=CN=C(C)C=C1 DY20566 [0,0,0,0,0,1|2,0,0]=3 147 B9R1.1 CCC1=CN=C(N)C=C1 DY585943 [0,0,0,0,0,1|3,0,0]=4 148 B9R1.1 CCC1=CN=C(O)C=C1 DY660020 [0,0,0,0,0,1|3,0,0]=4 149 B9R1.1 CCC1=NC=C(Br)C=C1 NO12376 [0,0,0,0,0,1|3,0,0]=4 150 B9R1.1 CCC1=NC=C(C)N=C1 DY710647 [0,0,0,0,0,1|3,0,0]=4 151 B9R1.1 CNC1=CC=C(Cl)N=N1 NO10696 [0,0,0,0,0,1|3,0,0]=4 152 B9R1.1 CNC1=CC=C(I)C=C1 NO22906 [0,0,0,0,0,1|3,0,0]=4 153 B9R1.1 CNC1=NC=C(Br)C=C1 NO10304 [0,0,0,0,0,1|3,0,0]=4 154 B9R1.1 CNC1=NC=C(F)C=C1 DY711535 [0,0,0,0,0,1|3,0,0]=4 155 B9R1.1 COC1=CC=C(Br)N=N1 NO14617 [0,0,0,0,0,1|2,1,0]=4 156 B9R1.1 COC1=CC=C(Cl)N=N1 NO17689 [0,0,0,0,0,1|2,1,0]=4 157 B9R1.1 COC1=CC=C(N)C=C1 DY584663 [0,0,0,0,0,1|2,1,0]=4 158 B9R1.1 COC1=CC=C(N)C=C1 NO18580 [0,0,0,0,0,1|2,1,0]=4 159 B9R1.1 COC1=CC=C(N)C=N1 NO19527 [0,0,0,0,0,1|2,1,0]=4 160 B9R1.1 COC1=CC=C(N)N=N1 NO22091 [0,0,0,0,0,1|2,1,0]=4 161 B9R1.1 COC1=CC=C(O)C=C1 NO22939 [0,0,0,0,0,1|2,1,0]=4 162 B9R1.1 COC1=CN=C(Br)C=C1 NO13470 [0,0,0,0,0,1|2,1,0]=4 163 B9R1.1 COC1=CN=C(N)C=C1 NO17791 [0,0,0,0,0,1|2,1,0]=4 164 B9R1.1 COC1=CNC(=O)C=C1 DY563727 [0,0,0,0,0,1|2,1,0]=4 165 B9R1.1 COC1=NC=C(Br)C=C1 DY716534 [0,0,0,0,0,1|2,1,0]=4 166 B9R1.1 COC1=NC=C(Br)C=C1 NO22030 [0,0,0,0,0,1|2,1,0]=4 167 B9R1.1 COC1=NC=C(C)C=C1 NO21644 [0,0,0,0,0,1|1,1,0]=3 168 B9R1.1 COC1=NC=C(Cl)C=C1 NO17976 [0,0,0,0,0,1|2,1,0]=4 169 B9R1.1 COC1=NC=C(I)C=C1 NO21641 [0,0,0,0,0,1|2,1,0]=4 170 B9R1.1 CSC1=CC=C(I)C=C1 DY585121 [0,0,0,0,0,1|2,0,0]=3 171 B9R1.1 CSC1=CC=C(N)C=N1 DY547125 [0,0,0,0,0,1|2,0,0]=3 172 B9R1.1 CSC1=CC=C(O)C=C1 DY20743 [0,0,0,0,0,1|2,0,0]=3 173 B9R1.1 CSC1=CN=C(C)C=N1 DY710851 [0,0,0,0,0,1|2,0,0]=3 174 B9R1.1 CSC1=NC=C(Br)C=N1 NO18002 [0,0,0,0,0,1|3,0,0]=4 175 B9R1.1 CSC1=NC=C(Cl)C=C1 DY454120 [0,0,0,0,0,1|2,0,0]=3 176 B9R1.1 CSC1=NC=C(O)C=N1 NO12580 [0,0,0,0,0,1|3,0,0]=4 177 B9R1.2 CC1=CC(C#N)=NC=C1 NO20235 [0,0,0,0,0,1|3,0,0]=4 178 B9R1.2 CC1=CC(C=O)=NC=C1 NO19123 [0,0,0,0,0,1|3,0,0]=4 179 B9R1.2 CC1=CC(CCl)=NC=C1 NO15442 [0,0,0,0,0,1|3,0,0]=4 180 B9R1.2 CC1=CC(CN)=CC=C1 NO19644 [0,0,0,0,0,1|3,0,0]=4 181 B9R1.2 CC1=CC(CO)=NC=C1 NO11126 [0,0,0,0,0,1|3,0,0]=4 182 B9R1.2 CC1=CC(NN)=CC=C1 NO19574 [0,0,0,0,0,1|3,0,0]=4 183 B9R1.2 CC1=CC(NN)=NC=C1 NO13399 [0,0,0,0,0,1|3,0,0]=4 184 B9R1.2 CC1=CC=CC(C#N)=C1 NO19778 [0,0,0,0,0,1|3,0,0]=4 185 B9R1.2 CC1=CC=CC(C#N)=N1 NO15464 [0,0,0,0,0,1|3,0,0]=4 186 B9R1.2 CC1=CC=CC(C=O)=C1 DY41127 [0,0,0,0,0,1|3,0,0]=4 187 B9R1.2 CC1=CC=CC(CCl)=N1 DY547749 [0,0,0,0,0,1|3,0,0]=4 188 B9R1.2 CC1=CC=CC(CN)=N1 NO18414 [0,0,0,0,0,1|3,0,0]=4 189 B9R1.2 CC1=CC=CC(CO)=N1 DY20920 [0,0,0,0,0,1|3,0,0]=4 190 B9R1.2 CC1=CN=CC(C#N)=N1 NO17295 [0,0,0,0,0,1|3,0,0]=4 191 B9R1.2 CC1=CN=CC(CCl)=C1 NO14445 [0,0,0,0,0,1|3,0,0]=4 192 B9R1.2 CC1=CN=CC(CCl)=N1 NO17402 [0,0,0,0,0,1|3,0,0]=4 193 B9R1.2 CC1=CN=CC(CO)=C1 DY452566 [0,0,0,0,0,1|3,0,0]=4 194 B9R1.2 CC1=CN=CC(CO)=N1 NO15787 [0,0,0,0,0,1|3,0,0]=4 195 B9R1.2 CC1=NC(CN)=NC=C1 DY580845 [0,0,0,0,0,1|3,0,0]=4 196 B9R1.2 CC1=NC(CN)=NC=C1 DY611424 [0,0,0,0,0,1|3,0,0]=4 197 B9R1.2 CC1=NC=CC(C=O)=C1 NO15441 [0,0,0,0,0,1|3,0,0]=4 198 B9R1.2 CC1=NC=CC(C=O)=N1 NO19715 [0,0,0,0,0,1|3,0,0]=4 199 B9R1.2 CCC1=CC(C)=CN=C1 DY657240 [0,0,0,0,0,1|2,0,0]=3 200 B9R1.2 CCC1=CC=CC(Br)=N1 NO15322 [0,0,0,0,0,1|3,0,0]=4 201 B9R1.2 CCC1=CC=CC(Cl)=C1 DY584271 [0,0,0,0,0,1|3,0,0]=4 202 B9R1.2 CCC1=CN=CC(Br)=C1 NO11907 [0,0,0,0,0,1|3,0,0]=4 203 B9R1.2 CCC1=CN=CC(Cl)=N1 DY447143 [0,0,0,0,0,1|3,0,0]=4 204 B9R1.2 CCC1=NC=CC(Br)=C1 DY658183 [0,0,0,0,0,1|3,0,0]=4 205 B9R1.2 CNC1=CC(Br)=CC=C1 NO22185 [0,0,0,0,0,1|3,0,0]=4 206 B9R1.2 CNC1=CC(Cl)=CC=C1 DY20486 [0,0,0,0,0,1|3,0,0]=4 207 B9R1.2 CNC1=CC(I)=CC=C1 DY563655 [0,0,0,0,0,1|3,0,0]=4 208 B9R1.2 CNC1=CC(N)=CC=C1 NO16640 [0,0,0,0,0,1|3,0,0]=4 209 B9R1.2 CNC1=CC=CC(O)=C1 DY442233 [0,0,0,0,0,1|3,0,0]=4 210 B9R1.2 CNC1=NC(Cl)=CN=C1 NO10695 [0,0,0,0,0,1|3,0,0]=4 211 B9R1.2 CNC1=NC=CC(Br)=N1 NO14470 [0,0,0,0,0,1|3,0,0]=4 212 B9R1.2 CNC1=NC=CC(F)=C1 DY714974 [0,0,0,0,0,1|3,0,0]=4 213 B9R1.2 CNC1=NC=CC(I)=C1 DY452194 [0,0,0,0,0,1|3,0,0]=4 214 B9R1.2 CNC1=NC=CC(N)=C1 NO16967 [0,0,0,0,0,1|3,0,0]=4 215 B9R1.2 CNC1=NC=NC(C)=C1 DY695897 [0,0,0,0,0,1|3,0,0]=4 216 B9R1.2 COC1=CC(Br)=NC=C1 NO16230 [0,0,0,0,0,1|2,1,0]=4 217 B9R1.2 COC1=CC(C)=CN=C1 DY451846 [0,0,0,0,0,1|1,1,0]=3 218 B9R1.2 COC1=CC(Cl)=NC=C1 NO19311 [0,0,0,0,0,1|2,1,0]=4 219 B9R1.2 COC1=CC(F)=NC=C1 NO14826 [0,0,0,0,0,1|2,1,0]=4 220 B9R1.2 COC1=CC(N)=NC=C1 NO19522 [0,0,0,0,0,1|2,1,0]=4 221 B9R1.2 COC1=CC=CC(Br)=N1 NO14301 [0,0,0,0,0,1|2,1,0]=4 222 B9R1.2 COC1=CC=CC(Cl)=C1 NO19894 [0,0,0,0,0,1|2,1,0]=4 223 B9R1.2 COC1=CC=CC(Cl)=N1 NO13826 [0,0,0,0,0,1|2,1,0]=4 224 B9R1.2 COC1=CC=CC(F)=C1 NO19929 [0,0,0,0,0,1|2,1,0]=4 225 B9R1.2 COC1=CC=CC(F)=N1 NO13652 [0,0,0,0,0,1|2,1,0]=4 226 B9R1.2 COC1=CC=CC(I)=N1 NO18075 [0,0,0,0,0,1|2,1,0]=4 227 B9R1.2 COC1=CC=CC(N)=C1 NO19943 [0,0,0,0,0,1|2,1,0]=4 228 B9R1.2 COC1=CC=CC(N)=N1 NO13845 [0,0,0,0,0,1|2,1,0]=4 229 B9R1.2 COC1=CC=CC(O)=C1 NO18747 [0,0,0,0,0,1|2,1,0]=4 230 B9R1.2 COC1=CN=CC(Br)=N1 DY431625 [0,0,0,0,0,1|2,1,0]=4 231 B9R1.2 COC1=CN=CC(Cl)=N1 NO21483 [0,0,0,0,0,1|2,1,0]=4 232 B9R1.2 COC1=CN=CC(N)=C1 NO19973 [0,0,0,0,0,1|2,1,0]=4 233 B9R1.2 COC1=CN=CC(N)=N1 NO12541 [0,0,0,0,0,1|2,1,0]=4 234 B9R1.2 COC1=CN=CC(O)=C1 NO17819 [0,0,0,0,0,1|2,1,0]=4 235 B9R1.2 COC1=NC(Br)=NC=C1 NO12506 [0,0,0,0,0,1|2,1,0]=4 236 B9R1.2 COC1=NC(C)=CC=C1 NO15396 [0,0,0,0,0,1|1,1,0]=3 237 B9R1.2 COC1=NC(C)=CN=C1 DY710569 [0,0,0,0,0,1|1,1,0]=3 238 B9R1.2 COC1=NC(C)=NC=C1 NO11919 [0,0,0,0,0,1|1,1,0]=3 239 B9R1.2 COC1=NC(Cl)=NC=C1 NO21447 [0,0,0,0,0,1|2,1,0]=4 240 B9R1.2 COC1=NC(I)=NC=C1 NO11917 [0,0,0,0,0,1|2,1,0]=4 241 B9R1.2 COC1=NC=CC(Br)=C1 NO22650 [0,0,0,0,0,1|2,1,0]=4 242 B9R1.2 COC1=NC=CC(C)=C1 NO21637 [0,0,0,0,0,1|1,1,0]=3 243 B9R1.2 COC1=NC=CC(Cl)=C1 NO19313 [0,0,0,0,0,1|2,1,0]=4 244 B9R1.2 COC1=NC=CC(F)=C1 NO11908 [0,0,0,0,0,1|2,1,0]=4 245 B9R1.2 COC1=NC=CC(I)=C1 NO19594 [0,0,0,0,0,1|2,1,0]=4 246 B9R1.2 COC1=NC=CC(N)=C1 NO19525 [0,0,0,0,0,1|2,1,0]=4 247 B9R1.2 COC1=NC=CC(N)=N1 NO10114 [0,0,0,0,0,1|2,1,0]=4 248 B9R1.2 CSC1=CC(Cl)=NC=N1 NO12488 [0,0,0,0,0,1|3,0,0]=4 249 B9R1.2 CSC1=CC(N)=CC=C1 DY20570 [0,0,0,0,0,1|2,0,0]=3 250 B9R1.2 CSC1=CC(N)=NC=C1 DY657949 [0,0,0,0,0,1|2,0,0]=3 251 B9R1.2 CSC1=CN=CC(Br)=C1 DY452608 [0,0,0,0,0,1|2,0,0]=3 252 B9R1.2 CSC1=NC(Cl)=NC=C1 NO19934 [0,0,0,0,0,1|2,0,0]=3 253 B9R1.2 CSC1=NC=CC(=O)N1 NO22771 [0,0,0,0,0,1|2,0,0]=3 254 B9R1.2 CSC1=NC=CC(Br)=N1 DY425588 [0,0,0,0,0,1|2,0,0]=3 255 B9R1.2 CSC1=NC=CC(Cl)=C1 NO12493 [0,0,0,0,0,1|2,0,0]=3 256 B9R1.2 CSC1=NC=CC(Cl)=N1 NO18332 [0,0,0,0,0,1|2,0,0]=3 257 B9R1.2 CSC1=NC=CC(N)=N1 NO20913 [0,0,0,0,0,1|2,0,0]=3 258 B9R1.2 CSC1=NC=CC(O)=N1 NO12612 [0,0,0,0,0,1|2,0,0]=3 259 B6R0.4 C=C\C=C\C(=O)O NO12033 [1,0,1,0,0,0|0,1,1]=4 260 B6R0.4 CC\C=C\C(C)=O DY822743 [1,0,1,0,0,0|0,0,2]=4 261 B6R1.2 BrC1=CC=CS1 NO21414 [2,0,0,0,0,0|1,1,0]=4 262 B6R1.2 BrC1=CC=C[Se]1 DY114898 [2,0,0,0,0,0|1,1,0]=4 263 B6R1.2 CC1=CC=CN1 NO21660 [2,0,0,0,0,0|1,0,0]=3 264 B6R1.2 CC1=CC=CS1 NO21701 [2,0,0,0,0,0|0,1,0]=3 265 B6R1.2 CC1=CC=NN1 DY21108 [2,0,0,0,0,0|2,0,0]=4 266 B6R1.2 CC1=CN=CS1 NO10460 [2,0,0,0,0,0|1,1,0]=4 267 B6R1.2 CC1=CNC=C1 DY20689 [2,0,0,0,0,0|2,0,0]=4 268 B6R1.2 CC1=CNC=N1 DY20397 [2,0,0,0,0,0|2,0,0]=4 269 B6R1.2 CC1=CSC=N1 NO15621 [2,0,0,0,0,0|2,0,0]=4 270 B6R1.2 CC1=NC=CN1 DY562149 [2,0,0,0,0,0|2,0,0]=4 271 B6R1.2 CC1=NC=CN1 DY567567 [2,0,0,0,0,0|2,0,0]=4 272 B6R1.2 CC1=NC=CS1 NO22598 [2,0,0,0,0,0|1,1,0]=4 273 B6R1.2 CC1=NN=CO1 NO12863 [2,0,0,0,0,0|2,0,0]=4 274 B6R1.2 CC1=NNC=C1 NO13720 [2,0,0,0,0,0|2,0,0]=4 275 B6R1.2 CC1=NOC=C1 NO11533 [2,0,0,0,0,0|2,0,0]=4 276 B6R1.2 CN1C=CC=C1 NO20770 [2,0,0,0,0,0|2,0,0]=4 277 B6R1.2 CN1C=CC=N1 NO19419 [2,0,0,0,0,0|2,0,0]=4 278 B6R1.2 IC1=CC=CS1 NO21616 [2,0,0,0,0,0|1,1,0]=4 279 B6R1.2 NC1=CC=NO1 DY459948 [2,0,0,0,0,0|2,0,0]=4 280 B6R1.2 NC1=NC=CO1 NO19070 [2,0,0,0,0,0|2,0,0]=4 281 B6R1.2 SC1=NC=CS1 DY573237 [2,0,0,0,0,0|1,1,0]=4 282 B8R1.7 CC(=O)C1=CC=CO1 NO18634 [1,1,0,0,0,0|1,0,0]=3 283 B8R1.7 CC(=O)C1=CC=CS1 NO19387 [1,1,0,0,0,0|1,1,0]=4 284 B8R1.7 CC(=O)C1=CC=NO1 NO15344 [1,1,0,0,0,0|2,0,0]=4 285 B8R1.7 CC(=O)C1=NC=CO1 NO20443 [1,1,0,0,0,0|2,0,0]=4 286 B8R1.7 CC(N)C1=CC=CN1 DY717705 [1,1,0,0,0,0|2,0,0]=4 287 B8R1.7 CC(N)C1=CC=CS1 DY585951 [1,1,0,0,0,0|1,1,0]=4 288 B8R1.7 C[C@@H](O)C1=CC=CO1 DY621645 [1,1,0,0,0,0|1,0,0]=3 289 B8R1.7 C[C@@H](O)C1=CC=CS1 DY621687 [1,1,0,0,0,0|1,1,0]=4 290 B8R1.7 N=C(N)C1=CC=CO1 DY609169 [1,1,0,0,0,0|2,0,0]=4 291 B8R1.7 O=C(O)C1=CC=CO1 NO16202 [1,1,0,0,0,0|2,0,0]=4 292 B8R1.7 OB(O)C1=CC=CO1 NO22587 [1,1,0,0,0,0|2,0,0]=4 293 B8R1.8 CSCC1=CC=CO1 DY523785 [1,1,0,0,0,0|0,0,0]=2 294 B8R1.8 NCCC1=CC=CN1 DY717219 [1,1,0,0,0,0|2,0,0]=4 295 B8R1.8 OCCC1=CC=CS1 NO14939 [1,1,0,0,0,0|1,1,0]=4 296 B8R1.11 CSC1=C(Br)C=CS1 DY452122 [1,1,0,0,0,0|0,1,0]=3 297 B8R1.18 CC1=C(C)OC(=O)O1 NO18029 [1,1,0,0,0,0|1,1,0]=4 298 B8R1.18 CC1=CC(=O)N(C)N1 NO18184 [1,1,0,0,0,0|2,0,0]=4 299 B8R1.18 CC1=CC(C)=NN1C NO19810 [1,1,0,0,0,0|2,0,0]=4 300 B8R1.18 CC1=NC(Br)=C(C)N1 DY606020 [1,1,0,0,0,0|2,0,0]=4 301 B8R1.18 CC1=NC(C)=C(C)O1 DY773169 [1,1,0,0,0,0|1,0,0]=3 302 B8R1.18 CC1=NN(C)C=C1I DY431130 [1,1,0,0,0,0|2,0,0]=4 303 B8R1.18 CC1=NN(C)C=C1N DY608740 [1,1,0,0,0,0|2,0,0]=4 304 B8R1.50 CC1=CNC(C)=C1C NO16478 [1,1,0,0,0,0|2,0,0]=4 305 B8R1.50 CC1=CSC(C)=C1Br NO16729 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.1 CC1=CC=C(CCBr)C=C1 NO19977 [0,1,0,0,0,1|2,0,0]=4 307 B10R1.1 CC1=CC=C(CCN)C=C1 NO18979 [0,1,0,0,0,1|2,0,0]=4 308 B10R1.1 CC1=CN=C(CCN)C=C1 DY654264 [0,1,0,0,0,1|2,0,0]=4 309 B10R1.1 CCNC1=CC=C(C)C=C1 DY822062 [0,1,0,0,0,1|2,0,0]=4 310 B10R1.1 CNCC1=CC=C(C)C=C1 NO11795 [0,1,0,0,0,1|2,0,0]=4 311 B10R1.1 CSCC1=CN=C(Cl)C=C1 DY606927 [0,1,0,0,0,1|2,0,0]=4 312 B10R1.1 CSCC1=NC=C(Br)C=C1 DY112104 [0,1,0,0,0,1|2,0,0]=4 313 B10R1.3 CCC1=CC=C(CC)C=C1 DY822052 [0,1,0,0,0,1|2,0,0]=4 314 B10R1.3 CCC1=CC=C(CO)C=C1 DY450460 [0,1,0,0,0,1|2,0,0]=4 315 B10R1.3 COC1=CC=C(CBr)C=C1 DY545847 [0,1,0,0,0,1|1,1,0]=4 316 B10R1.3 COC1=CC=C(CF)C=C1 DY530067 [0,1,0,0,0,1|1,1,0]=4 317 B10R1.3 COC1=CC=C(CN)C=C1 NO18898 [0,1,0,0,0,1|1,1,0]=4 318 B10R1.3 COC1=CC=C(CN)C=N1 DY103395 [0,1,0,0,0,1|1,1,0]=4 319 B10R1.3 COC1=CC=C(CO)C=C1 NO22932 [0,1,0,0,0,1|1,1,0]=4 320 B10R1.3 COC1=CC=C(CO)C=N1 NO15243 [0,1,0,0,0,1|1,1,0]=4 321 B10R1.3 COC1=CN=C(CCl)C=C1 NO12684 [0,1,0,0,0,1|1,1,0]=4 322 B10R1.3 COC1=CN=C(OC)C=C1 DY452356 [0,1,0,0,0,1|1,1,0]=4 323 B10R1.3 COC1=NC=C(CBr)C=C1 DY712957 [0,1,0,0,0,1|1,1,0]=4 324 B10R1.3 COC1=NC=C(CBr)C=C1 NO17111 [0,1,0,0,0,1|1,1,0]=4 325 B10R1.3 COC1=NC=C(CCl)C=C1 NO16575 [0,1,0,0,0,1|1,1,0]=4 326 B10R1.3 CSC1=CC=C(NN)C=C1 DY794649 [0,1,0,0,0,1|2,0,0]=4 327 B10R1.13 C=C(C)C1=CC=C(C)C=C1 DY790917 [0,1,0,0,0,1|2,0,0]=4 328 B10R1.13 CC(=O)C1=CC=C(C)C=C1 NO13558 [0,1,0,0,0,1|2,0,0]=4 329 B10R1.13 CC(=O)C1=CC=C(C)N=N1 DY112296 [0,1,0,0,0,1|2,0,0]=4 330 B10R1.13 CC(=O)C1=CN=C(C)C=C1 DY428167 [0,1,0,0,0,1|2,0,0]=4 331 B10R1.13 CC1=CC=C([C@@H](C)N)C=N1 DY716654 [0,1,0,0,0,1|2,0,0]=4 332 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 DY545757 [0,1,0,0,0,1|2,0,0]=4 333 B10R1.13 CC1=CN=C(C(C)N)C=C1 DY577449 [0,1,0,0,0,1|2,0,0]=4 334 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 DY511971 [0,1,0,0,0,1|2,0,0]=4 335 B10R1.13 Cc1ccc(C(C)C)cc1 DY444976 [0,1,0,0,0,1|2,0,0]=4 336 B10R1.25 CCC1=CN=C(C)C=C1N DY660014 [0,1,0,0,0,1|2,0,0]=4 337 B10R1.25 CCC1=CN=C(C)C=C1N DY711175 [0,1,0,0,0,1|2,0,0]=4 338 B10R1.25 CNC1=NC=C(C)C=C1Br DY716366 [0,1,0,0,0,1|2,0,0]=4 339 B10R1.25 COC1=C(F)C=C(C)C=C1 DY452440 [0,1,0,0,0,1|1,1,0]=4 340 B10R1.25 COC1=C(N)C=C(C)C=C1 NO13548 [0,1,0,0,0,1|1,1,0]=4 341 B10R1.25 COC1=C(O)C=C(C)C=C1 DY442401 [0,1,0,0,0,1|1,1,0]=4 342 B10R1.25 COC1=CC=C(C)N=C1I DY527061 [0,1,0,0,0,1|1,1,0]=4 343 B10R1.25 COC1=CN=C(C)C=C1Br DY431792 [0,1,0,0,0,1|1,1,0]=4 344 B10R1.25 COC1=NC=C(C)C=C1Br NO12715 [0,1,0,0,0,1|1,1,0]=4 345 B10R1.25 CSC1=C(Br)C=C(Br)C=C1 DY585122 [0,1,0,0,0,1|2,0,0]=4 346 B10R1.25 CSC1=C(Br)C=C(F)C=C1 DY452890 [0,1,0,0,0,1|2,0,0]=4 347 B10R1.25 CSC1=C(C)C=C(O)C=C1 DY20571 [0,1,0,0,0,1|2,0,0]=4 348 B10R1.176 COC1=CC(Br)=C(C)C=C1 NO16376 [0,1,0,0,0,1|1,1,0]=4 349 B10R1.176 COC1=CC(F)=C(C)C=C1 NO10872 [0,1,0,0,0,1|1,1,0]=4 350 B10R1.176 COC1=CC(N)=C(C)C=C1 NO14868 [0,1,0,0,0,1|1,1,0]=4 351 B10R1.176 CSC1=CC(F)=C(F)C=C1 DY452068 [0,1,0,0,0,1|2,0,0]=4 352 B10R1.176 CSC1=NC=C(C)C(Cl)=N1 NO16643 [0,1,0,0,0,1|2,0,0]=4 353 B10R1.2 CCC1=C(O)C(C)=CC=C1 DY584282 [0,1,0,0,0,1|2,0,0]=4 354 B10R1.2 COC1=C(Br)C(C)=CC=C1 DY584924 [0,1,0,0,0,1|1,1,0]=4 355 B10R1.2 COC1=C(C)C(C)=CC=C1 DY20206 [0,1,0,0,0,1|1,1,0]=4 356 B10R1.2 COC1=C(Cl)C(C)=CC=C1 DY822113 [0,1,0,0,0,1|1,1,0]=4 357 B10R1.2 CSC1=C(C)C(Cl)=CC=C1 DY20573 [0,1,0,0,0,1|2,0,0]=4 358 B10R1.2 CSC1=C(F)C(Br)=CC=C1 DY451930 [0,1,0,0,0,1|2,0,0]=4 359 B10R1.2 CSC1=C(F)C(Cl)=NC=C1 DY450214 [0,1,0,0,0,1|2,0,0]=4 360 B10R1.2 CSC1=CC=CC(O)=C1F DY451822 [0,1,0,0,0,1|2,0,0]=4 361 B10R1.2 CSC1=NC=CC(=O)N1C DY693712 [0,1,0,0,0,1|2,0,0]=4 362 B10R1.8 CNC1=CC(=O)NC(C)=N1 DY693580 [0,1,0,0,0,1|2,0,0]=4 363 B10R1.8 COC1=CC(=O)OC(C)=C1 DY566517 [0,1,0,0,0,1|1,1,0]=4 364 B10R1.8 COC1=CC(C)=CC(Br)=C1 NO20982 [0,1,0,0,0,1|1,1,0]=4 365 B10R1.8 COC1=CC(C)=CC(N)=C1 NO13172 [0,1,0,0,0,1|1,1,0]=4 366 B10R1.8 COC1=CC(Cl)=NC(C)=C1 DY512931 [0,1,0,0,0,1|1,1,0]=4 367 B10R1.8 COC1=CC(Cl)=NC(C)=N1 NO12795 [0,1,0,0,0,1|1,1,0]=4 368 B10R1.8 COC1=NC(C)=CC(Br)=C1 DY711373 [0,1,0,0,0,1|1,1,0]=4 369 B10R1.8 COC1=NC(C)=CC(Cl)=C1 DY658371 [0,1,0,0,0,1|1,1,0]=4 370 B10R1.8 CSC1=CC(C)=NC(Cl)=N1 DY20936 [0,1,0,0,0,1|2,0,0]=4 371 B10R1.8 CSC1=CC(C)=NC(O)=N1 DY530403 [0,1,0,0,0,1|2,0,0]=4 372 B10R1.8 CSC1=NC(Cl)=CC(Cl)=N1 NO22708 [0,1,0,0,0,1|2,0,0]=4 373 B10R1.8 CSC1=NC(Cl)=CC(N)=N1 NO17831 [0,1,0,0,0,1|2,0,0]=4 374 B10R1.10 CC#CC1=CC=CC(C)=C1 DY788763 [0,1,0,0,0,1|2,0,0]=4 375 B10R1.10 CC1=CC(CCN)=NC=C1 DY713209 [0,1,0,0,0,1|2,0,0]=4 376 B10R1.10 CC1=CC(CCO)=CC=C1 NO22372 [0,1,0,0,0,1|2,0,0]=4 377 B10R1.10 CCSC1=NC(Cl)=NC=C1 DY514233 [0,1,0,0,0,1|2,0,0]=4 378 B10R1.30 CCC1=NC(C)=CC=C1O NO13984 [0,1,0,0,0,1|2,0,0]=4 379 B10R1.30 CCC1=NC(C)=CN=C1C DY710767 [0,1,0,0,0,1|2,0,0]=4 380 B10R1.30 COC1=C(Br)C=CC(C)=C1 DY20209 [0,1,0,0,0,1|1,1,0]=4 381 B10R1.30 COC1=C(Cl)C=CC(C)=C1 DY456622 [0,1,0,0,0,1|1,1,0]=4 382 B10R1.30 COC1=C(O)C=CC(C)=C1 NO16322 [0,1,0,0,0,1|1,1,0]=4 383 B10R1.30 COC1=CC(C)=CN=C1O DY657387 [0,1,0,0,0,1|1,1,0]=4 384 B10R1.30 COC1=NC(C)=CC=C1Br NO19284 [0,1,0,0,0,1|1,1,0]=4 385 B10R1.30 CSC1=C(Br)C=CC(Br)=C1 DY453532 [0,1,0,0,0,1|2,0,0]=4 386 B10R1.30 CSC1=C(Br)C=CC(F)=C1 DY525105 [0,1,0,0,0,1|2,0,0]=4 387 B10R1.30 CSC1=C(C)C=CC(Br)=C1 DY452878 [0,1,0,0,0,1|2,0,0]=4 388 B10R1.30 CSC1=CC(F)=CN=C1Br DY715124 [0,1,0,0,0,1|2,0,0]=4 389 B10R1.113 CC(=O)C1=CC(C)=CN=C1 NO16656 [0,1,0,0,0,1|2,0,0]=4 390 B10R1.113 CC(=O)C1=CC(C)=NC=C1 NO18206 [0,1,0,0,0,1|2,0,0]=4 391 B10R1.113 CC(=O)C1=CC=CC(C)=C1 NO19159 [0,1,0,0,0,1|2,0,0]=4 392 B10R1.113 CC(=O)C1=NC(C)=CC=C1 NO18426 [0,1,0,0,0,1|2,0,0]=4 393 B10R1.113 CC(=O)C1=NC=CC(C)=C1 DY460044 [0,1,0,0,0,1|2,0,0]=4 394 B10R1.113 CC1=CC(C(C)N)=NC=C1 DY561633 [0,1,0,0,0,1|2,0,0]=4 395 B10R1.113 CC1=CC(C(C)N)=NC=C1 DY605899 [0,1,0,0,0,1|2,0,0]=4 396 B10R1.113 CC1=CC([C@@H](C)N)=CC=C1 NO17345 [0,1,0,0,0,1|2,0,0]=4 397 B10R1.113 CC1=CC=CC([C@@H](C)N)=N1 DY511947 [0,1,0,0,0,1|2,0,0]=4 398 B10R1.113 CC1=NC=CC(C(C)N)=C1 DY110560 [0,1,0,0,0,1|2,0,0]=4 399 B10R1.172 CCC1=NC(CC)=NC=C1 DY692656 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.172 CNC1=NC=CC(OC)=C1 DY714716 [0,1,0,0,0,1|1,1,0]=4 401 B10R1.172 COC1=CC(CCl)=NC=C1 DY564207 [0,1,0,0,0,1|1,1,0]=4 402 B10R1.172 COC1=CC(CN)=NC=C1 NO12102 [0,1,0,0,0,1|1,1,0]=4 403 B10R1.172 COC1=CC(OC)=NC=C1 NO18092 [0,1,0,0,0,1|1,1,0]=4 404 B10R1.172 COC1=CC=CC(CBr)=C1 DY576513 [0,1,0,0,0,1|1,1,0]=4 405 B10R1.172 COC1=CC=CC(CCl)=C1 DY10324 [0,1,0,0,0,1|1,1,0]=4 406 B10R1.172 COC1=CC=CC(CCl)=N1 NO16831 [0,1,0,0,0,1|1,1,0]=4 407 B10R1.172 COC1=CC=CC(CN)=C1 NO19097 [0,1,0,0,0,1|1,1,0]=4 408 B10R1.172 COC1=CC=CC(CO)=C1 NO19269 [0,1,0,0,0,1|1,1,0]=4 409 B10R1.172 COC1=CC=CC(OC)=C1 NO19845 [0,1,0,0,0,1|1,1,0]=4 410 B10R1.172 COC1=CN=CC(OC)=C1 NO17332 [0,1,0,0,0,1|1,1,0]=4 411 B10R1.172 COC1=NC(OC)=NC=C1 NO19530 [0,1,0,0,0,1|1,1,0]=4 412 B10R1.172 COC1=NC=CC(CN)=C1 NO16830 [0,1,0,0,0,1|1,1,0]=4 413 B10R1.172 COC1=NC=CC(CO)=C1 NO12823 [0,1,0,0,0,1|1,1,0]=4 414 B10R1.172 COC1=NC=CC(CO)=N1 DY103739 [0,1,0,0,0,1|1,1,0]=4 415 B10R1.172 CSC1=NC=CC(C=O)=N1 NO19811 [0,1,0,0,0,1|1,0,1]=4 416 B10R1.172 CSC1=NC=CC(CCl)=N1 DY693995 [0,1,0,0,0,1|1,0,0]=3 417 B10R1.14 CC[C@@H](N)C1=CC=C(C)O1 DY555831 [0,2,0,0,0,0|1,0,0]=3 418 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 NO16467 [0,2,0,0,0,0|1,0,0]=3 419 B10R1.14 COC(=O)C1=CC=C(Br)O1 NO19025 [0,2,0,0,0,0|1,1,0]=4 420 B10R1.14 COC(=O)C1=CC=C(N)O1 DY542535 [0,2,0,0,0,0|1,1,0]=4 421 B10R1.16 CC1=CC=C(\C=C\C=O)O1 NO17008 [0,2,0,0,0,0|1,0,1]=4 422 B10R1.31 O=C(O)C1=CC=C(CO)O1 NO19449 [0,2,0,0,0,0|2,0,0]=4 423 B10R1.55 CC1=CC=C(C(F)(F)F)O1 DY429054 [0,2,0,0,0,0|2,0,0]=4 424 B8R1.3 CC1=CN=C(C)C=C1 NO21154 [0,0,1,1,0,0|2,0,0]=4 425 B8R1.3 CC1=CN=C(O)C=C1 NO16275 [0,0,1,1,0,0|1,0,1]=4 426 B8R1.5 CC1=CC=CC=C1O NO11813 [0,0,1,1,0,0|1,0,1]=4