0 B9R1.6 CC(N)C1=CC=NC=C1 EB60113 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 CC(N)C1=CN=CC=C1 EB60112 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 CC(N)C1=NC=CC=C1 EB60111 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 CC(O)C1=CC=CC=N1 EB60161 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.6 CC(O)C1=CC=CN=C1 EB60160 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.6 CC(O)C1=CC=NC=C1 EB60159 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.6 N=C(N)C1=CC=CN=C1 EB12024 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 N=C(N)C1=CC=NC=C1 EB12025 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.6 N=C(N)C1=NC=CC=C1 EB12023 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.6 N=C(N)C1=NC=CN=C1 EB12079 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.6 O=C(Cl)C1=NC=CN=C1 EB15016 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.13 CC1=CC=C(C(=N)N)C=C1 EB12011 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 EB12004 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 EB12029 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.13 N=C(N)C1=CC=C(F)C=C1 EB12014 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.15 CC(NO)C1=CC=CC=C1 EB60372 [0,1,0,0,0,0|1,0,1]=3 16 B10R1.15 CC(NO)C1=CC=CN=C1 EB60375 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.15 C\C(=N\O)C1=CC=CC=N1 EB60142 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.15 C\C(=N\O)C1=CC=CN=C1 EB60141 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.15 C\C(=N\O)C1=CC=NC=C1 EB60140 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.15 NCC(=O)C1=CC=CC=C1 EB60794 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.15 NCC(N)C1=CC=CC=C1 EB60239 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.15 O=C(CS)C1=CC=CC=C1 EB61534 [0,1,0,0,0,0|0,1,0]=2 23 B10R1.15 OC(CS)C1=CC=CC=C1 EB61535 [0,1,0,0,0,0|0,1,1]=3 24 B10R1.15 OCC(S)C1=CC=CC=C1 EB04031 [0,1,0,0,0,0|0,1,1]=3 25 B10R1.61 N=C(N)C1=C(F)C=CC=C1 EB12007 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.113 CC1=CC=CC(C(=N)N)=C1 EB12010 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 EB12034 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.113 N=C(N)C1=CC(Cl)=CC=C1 EB12019 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.113 N=C(N)C1=CC(F)=CC=C1 EB12060 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.7 CC(=O)C1=CNC=C1 EB60661 [0,0,0,0,1,0|2,0,0]=3 31 B8R1.7 N=C(N)C1=CC=CS1 EB12026 [0,0,0,0,1,0|3,0,0]=4 32 B10R1.18 N=C(N)CC1=CC=CC=C1 EB12037 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.18 NC(=S)NC1=CC=CC=N1 EB60767 [0,0,0,0,0,1|2,1,0]=4 34 B9R1.11 CNC(=O)C1=CC=CS1 EB60998 [0,1,0,0,1,0|2,0,0]=4 35 B9R1.11 [NH3+]CC(=O)C1=CC=CS1 EB61215 [0,1,0,0,1,0|2,0,0]=4 36 B11R1.20 CC1=CC=C(CC(=N)N)C=C1 EB12145 [0,1,0,0,0,1|2,0,0]=4 37 B11R1.20 CC1=CC=C(CC(=O)Cl)C=C1 EB15006 [0,1,0,0,0,1|1,0,0]=3 38 B11R1.20 N=C(N)CC1=CC=C(Br)C=C1 EB12082 [0,1,0,0,0,1|2,0,0]=4 39 B11R1.20 N=C(N)CC1=CC=C(Cl)C=C1 EB12038 [0,1,0,0,0,1|2,0,0]=4 40 B11R1.20 N=C(N)CC1=CC=C(F)C=C1 EB12040 [0,1,0,0,0,1|2,0,0]=4 41 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 EB15029 [0,1,0,0,0,1|1,0,0]=3 42 B11R1.40 O=C(CCl)CC1=CC=CC=C1 EB15200 [0,1,0,0,0,1|1,0,0]=3 43 B11R1.86 CC1=C(CC(=N)N)C=CC=C1 EB12048 [0,1,0,0,0,1|2,0,0]=4 44 B11R1.86 CC1=CC=CC=C1CC(=O)Cl EB15014 [0,1,0,0,0,1|1,0,0]=3 45 B11R1.86 N=C(N)CC1=C(F)C=CC=C1 EB12046 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.86 N=C(N)CC1=CC=CC=C1Cl EB12093 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.157 CC1=CC(CC(=O)Cl)=CC=C1 EB15005 [0,1,0,0,0,1|1,0,0]=3 48 B11R1.157 CC1=CC=CC(CC(=N)N)=C1 EB12049 [0,1,0,0,0,1|2,0,0]=4 49 B11R1.157 N=C(N)CC1=CC=CC(Cl)=C1 EB12087 [0,1,0,0,0,1|2,0,0]=4 50 B11R1.157 O=C(Cl)CC1=CC(Cl)=CC=C1 EB15003 [0,1,0,0,0,1|1,0,0]=3 51 B11R1.3 COC1=CC=C(C(=N)N)C=C1 EB12012 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.21 CC1=C(C)C=C(C(=O)Cl)C=C1 EB15015 [0,2,0,0,0,0|1,0,0]=3 53 B11R1.22 CC1=CC=C(C(=O)C[NH3+])C=C1 EB60798 [0,2,0,0,0,0|1,0,0]=3 54 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 EB61597 [0,2,0,0,0,0|1,0,0]=3 55 B11R1.22 [NH3+]CC(=O)C1=CC=C(F)C=C1 EB60797 [0,2,0,0,0,0|1,0,0]=3 56 B11R1.166 CC1=CC(C)=C(C(=O)Cl)C=C1 EB15022 [0,2,0,0,0,0|1,0,0]=3 57 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 KEMIT003 [0,2,0,0,0,0|0,1,0]=3 58 B11R1.159 NC1=CC=CC(C(=O)O)=C1Br EB61481 [0,2,0,0,0,0|0,0,0]=2 59 B11R1.159 NC1=CC=CC(C(=O)O)=C1I EB61480 [0,2,0,0,0,0|0,0,0]=2 60 B11R1.159 NC1=CC=CC(C(=O)O)=C1N EB60703 [0,2,0,0,0,0|0,0,0]=2 61 B11R1.167 O=C(Cl)C1=CC(Br)=CC=C1Cl EB15033 [0,2,0,0,0,0|1,0,0]=3 62 B11R1.266 CCC1=CC(C(N)=O)=CC=N1 EB61237 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.266 COC1=CC=CC(C(=N)N)=C1 EB12016 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.266 N#CC1=CC=CC(C(=O)Cl)=C1 EB15013 [0,2,0,0,0,0|1,0,0]=3 65 B11R2.10 NC1=NC2=CC=CC=C2O1 EB33786 [0,0,0,1,0,1|1,0,0]=3 66 B11R2.10 SC1=NC2=CC=CC=C2O1 EB33761 [0,0,0,1,0,1|0,1,0]=3 67 B11R1.91 N=C(N)SCC1=CC=CC=C1 EB33079 [0,0,0,0,0,2|2,0,0]=4 68 B11R1.91 O=C(O)C#CC1=CC=CN=C1 EB11269 [0,0,0,0,0,2|1,0,0]=3 69 B11R1.91 O=C(O)C#CC1=CC=NC=C1 EB11268 [0,0,0,0,0,2|1,0,0]=3