0 B10R1.113 CC1=CC=CC(C(=N)N)=C1 EB12010 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 EB12034 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.113 N=C(N)C1=CC(Cl)=CC=C1 EB12019 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.113 N=C(N)C1=CC(F)=CC=C1 EB12060 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 CC(O)C1=CC=CC=N1 EB60161 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.6 CC(O)C1=CC=CN=C1 EB60160 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.6 CC(O)C1=CC=NC=C1 EB60159 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.6 N=C(N)C1=CC=CN=C1 EB12024 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.6 N=C(N)C1=CC=NC=C1 EB12025 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.6 N=C(N)C1=NC=CC=C1 EB12023 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.6 O=C(Cl)C1=NC=CN=C1 EB15016 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.21 CC1=C(C)C=C(C(=O)Cl)C=C1 EB15015 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.159 NC1=CC=CC(C(=O)O)=C1Br EB61481 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.159 NC1=CC=CC(C(=O)O)=C1I EB61480 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.159 NC1=CC=CC(C(=O)O)=C1N EB60703 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.167 O=C(Cl)C1=CC(Br)=CC=C1Cl EB15033 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.266 CCC1=CC(C(N)=O)=CC=N1 EB61237 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.266 COC1=CC=CC(C(=N)N)=C1 EB12016 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.266 N#CC1=CC=CC(C(=O)Cl)=C1 EB15013 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.157 CC1=CC(CC(=O)Cl)=CC=C1 EB15005 [0,0,0,0,0,1|2,0,0]=3 20 B11R1.157 CC1=CC=CC(CC(=N)N)=C1 EB12049 [0,0,0,0,0,1|3,0,0]=4 21 B11R1.157 N=C(N)CC1=CC=CC(Cl)=C1 EB12087 [0,0,0,0,0,1|3,0,0]=4 22 B11R1.157 O=C(Cl)CC1=CC(Cl)=CC=C1 EB15003 [0,0,0,0,0,1|2,0,0]=3 23 B10R1.172 C(=O)C1=CC=CC(C#C)=C1 EB60050 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.176 CC1=C(C)C=C(C=O)C=C1 KEMAR010 [1,1,0,0,0,0|1,0,0]=3 25 B10R1.13 CC1=CC=C(C(=N)N)C=C1 EB12011 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 EB12004 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 EB12029 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.13 N=C(N)C1=CC=C(F)C=C1 EB12014 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.15 CC(NO)C1=CC=CC=C1 EB60372 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.15 C\C(=N\O)C1=CC=CC=N1 EB60142 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.15 C\C(=N\O)C1=CC=CN=C1 EB60141 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.15 C\C(=N\O)C1=CC=NC=C1 EB60140 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.15 NCC(=O)C1=CC=CC=C1 EB60794 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.15 O=C(CS)C1=CC=CC=C1 EB61534 [1,1,0,0,0,0|0,1,0]=3 35 B10R1.15 OC(CS)C1=CC=CC=C1 EB61535 [1,1,0,0,0,0|0,1,1]=4 36 B10R1.15 OCC(S)C1=CC=CC=C1 EB04031 [1,1,0,0,0,0|0,1,1]=4 37 B10R1.61 N=C(N)C1=C(F)C=CC=C1 EB12007 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.19 O=C(Cl)CC1=CC=C(Cl)C(Cl)=C1 EB15010 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.50 CC1=CC=CC(CC(=O)CCl)=C1 EB15210 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.50 O=C(CCl)CC1=CC(Br)=CC=C1 EB15222 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.50 O=C(CCl)CC1=CC(Cl)=CC=C1 EB15207 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.50 O=C(CCl)CC1=CC(F)=CC=C1 EB15226 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.438 COC1=CC=CC(CC(=N)N)=C1 EB12170 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.367 CC1=C(F)C=CC(C(=O)CBr)=C1 EB04109 [0,2,0,0,0,0|2,0,0]=4 45 B12R1.367 CC1=CC(C(=O)CN)=CC=C1F EB61186 [0,2,0,0,0,0|2,0,0]=4 46 B12R1.17 CCOC(=N)C1=CC(Br)=CC=C1 EB12160 [0,2,0,0,0,0|2,0,0]=4 47 B12R1.17 CCOC(=N)C1=CC(C)=CC=C1 EB12107 [0,2,0,0,0,0|2,0,0]=4 48 B12R1.17 CCOC(=N)C1=CC(Cl)=CC=C1 EB12116 [0,2,0,0,0,0|2,0,0]=4 49 B12R1.17 CCOC(=N)C1=CC(F)=CC=C1 EB12112 [0,2,0,0,0,0|2,0,0]=4 50 B12R1.24 COC(=O)C1=C(Br)C(N)=CC=C1 EB61474 [0,2,0,0,0,0|1,0,0]=3 51 B12R1.24 COC(=O)C1=C(I)C(N)=CC=C1 EB61479 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.435 CCC1=CC(C(=O)OC)=CC=N1 EB61238 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.435 COC1=CC(C(=O)C[NH3+])=CC=C1 EB60796 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.11 CCC1=CC(C(=O)O)=CC(=O)N1 EB61193 [0,2,0,0,0,0|1,0,1]=4 55 B10R1.66 O=C(O)C#CC1=CC=CO1 EB11258 [0,0,1,1,0,0|0,0,2]=4 56 B12R2.606 CC1=CC=C2OC(N)=NC2=C1 EB33780 [0,0,0,1,0,1|2,0,0]=4 57 B12R2.606 CC1=CC=C2OC(S)=NC2=C1 EB33755 [0,0,0,1,0,1|1,1,0]=4 58 B12R2.606 NC1=NC2=CC(Br)=CC=C2O1 EB33777 [0,0,0,1,0,1|2,0,0]=4 59 B12R2.606 NC1=NC2=CC(Cl)=CC=C2O1 EB33787 [0,0,0,1,0,1|2,0,0]=4 60 B12R2.606 SC1=NC2=CC(Br)=CC=C2O1 EB33752 [0,0,0,1,0,1|1,1,0]=4 61 B12R2.606 SC1=NC2=CC(Cl)=CC=C2O1 EB33762 [0,0,0,1,0,1|1,1,0]=4 62 B8R1.1 O=CC1=CC=C(Br)O1 KEMAR006 [1,0,0,0,1,0|2,0,0]=4 63 B8R1.7 CC(=O)C1=CNC=C1 EB60661 [1,0,0,0,1,0|2,0,0]=4 64 B10R1.18 N=C(N)CC1=CC=CC=C1 EB12037 [1,0,0,0,0,1|2,0,0]=4 65 B12R1.226 CC1=CC=CC(C#CC(=O)O)=C1 EB11259 [0,0,0,0,0,2|1,0,0]=3 66 B12R1.226 O=C(O)C#CC1=CC(Cl)=CC=C1 EB11253 [0,0,0,0,0,2|1,0,0]=3 67 B12R1.226 O=C(O)C#CC1=CC(F)=CC=C1 EB11262 [0,0,0,0,0,2|1,0,0]=3