0 B9R1.13 CC(=O)CN1C=CC=N1 B021105 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.13 CC(=O)CN1C=CN=C1 B039452 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.13 CC(=O)CN1C=NN=N1 B050141 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.13 CC(=O)CN1N=CN=N1 B050142 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.13 CC(C)CN1C=CC=N1 B034864 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.13 CC(N)CC1=CC=CO1 B030489 [0,0,0,0,0,0|1,0,1]=2 6 B9R1.13 CC(N)CN1C=CC=N1 B021100 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.13 CC(O)CN1C=CC=N1 B022021 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.13 O=C(O)CN1C=CC=N1 B030032 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.13 O=C(O)CN1C=CN=C1 B039463 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.13 O=C(O)CN1C=NC=N1 B052608 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.8 CCCC1=CC=CS1 B046363 [1,0,0,0,0,0|0,1,1]=3 12 B8R1.8 CCCN1C=CC=N1 B030577 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.8 CNCC1=CC=NN1 B029937 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.8 CNCC1=CN=CS1 B059805 [1,0,0,0,0,0|2,1,0]=4 15 B8R1.8 CNCC1=NC=CN1 B059758 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.8 CNCC1=NC=CS1 B059668 [1,0,0,0,0,0|2,1,0]=4 17 B8R1.8 NCCC1=CC=CO1 B029933 [1,0,0,0,0,0|1,0,1]=3 18 B8R1.8 NCCC1=CC=CO1 B049455 [1,0,0,0,0,0|1,0,1]=3 19 B10R1.23 CC(C(=O)O)N1C=CC=C1 B049276 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.23 CC(C(=O)O)N1C=CC=N1 B035942 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.23 CC(C(N)=O)N1C=CC=N1 B037530 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.27 CCC(=O)CC1=CC=CO1 B050873 [0,1,0,0,0,0|0,0,0]=1 23 B10R1.27 COC(=O)CN1C=CC=N1 B030300 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.27 COC(=O)CN1C=CN=C1 B039453 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.27 COC(=O)CN1C=NC=N1 B048982 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.27 NNC(=O)CC1=CC=CS1 B015007 [0,1,0,0,0,0|1,1,0]=3 27 B10R1.27 NNC(=O)CN1C=CC=N1 B020597 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.54 CC(=O)CN1C=C(Br)C=N1 B021112 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.54 CC(=O)CN1C=C(Br)C=N1 B034873 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.54 CC(=O)CN1C=C(C)C=N1 B037599 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.54 CC(=O)CN1C=CC(C)=N1 B020842 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.54 CC1=CC(CC(=O)O)=NN1 B050171 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.54 CC1=CN(CC(=O)Cl)N=C1 B022999 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.54 CC1=CN(CC(=O)O)N=C1 B007158 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.54 CC1=NN(CC(=O)Cl)C=C1 B022846 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.54 CC1=NN(CC(=O)O)C=C1 B006507 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.54 CN1C=CC(CC(=O)O)=N1 B043667 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.54 NC1=CN(CC(=O)O)N=C1 B019318 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.54 NC1=CN(CC(=O)O)N=C1 B020846 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.54 NC1=CN(CC(=O)O)N=C1 B025636 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.54 NC1=NN(CC(=O)O)C=C1 B019309 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.54 NC1=NN(CC(=O)O)C=C1 B029376 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.54 O=C(O)CC1=CC(=O)NN1 B050599 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.54 O=C(O)CC1=CC=C(F)S1 B052453 [0,1,0,0,0,0|1,1,0]=3 45 B10R1.54 O=C(O)CN1C=C(Br)C=N1 B018507 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.54 O=C(O)CN1C=C(Cl)C=N1 B020509 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.54 O=C(O)CN1C=C(I)C=N1 B047767 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.54 O=C(O)CN1C=CC(Br)=N1 B050952 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.64 CC(=O)CN1N=CC=C1C B021106 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.64 CC1=CC=NN1CC(=O)O B007143 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.64 CC1=CC=NN1CC(N)=O B038466 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.64 CN1N=CC=C1CC(=O)O B047059 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.7 CC(N)C1=CC=CS1 B030506 [0,0,0,0,1,0|1,1,1]=4 54 B8R1.7 NC(=O)C1=NNC=C1 B039302 [0,0,0,0,1,0|3,0,0]=4 55 B8R1.7 O=C(O)C1=CC=NS1 B049203 [0,0,0,0,1,0|2,1,0]=4 56 B8R1.7 O=C(O)C1=NNC=C1 B000140 [0,0,0,0,1,0|3,0,0]=4 57 B10R1.18 CC(N)CC1=CC=CC=N1 B037029 [0,0,0,0,0,1|2,0,1]=4 58 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [0,0,0,0,0,1|2,1,0]=4 59 B10R1.66 CC(N)CCC1=CC=CO1 B020889 [0,0,0,0,0,1|1,0,1]=3 60 B10R1.66 O=C(O)CCC1=CC=NO1 B049851 [0,0,0,0,0,1|2,0,0]=3 61 B10R1.66 O=C(O)CCN1C=CC=N1 B040707 [0,0,0,0,0,1|3,0,0]=4 62 B7R1.1 C(=O)C1=CC=NN1 B039168 [2,0,0,0,0,0|2,0,0]=4 63 B7R1.1 CCN1C=CC=N1 B006762 [2,0,0,0,0,0|2,0,0]=4 64 B7R1.1 ClCC1=CC=NO1 B049837 [2,0,0,0,0,0|2,0,0]=4 65 B7R1.1 O=CC1=NC=CS1 B046187 [2,0,0,0,0,0|1,1,0]=4 66 B9R1.7 CNCC1=CC(C)=NO1 B038384 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.7 CNCC1=CC=C(C)S1 B059730 [1,1,0,0,0,0|1,1,0]=4 68 B9R1.7 CNCC1=CC=C(F)S1 B052763 [1,1,0,0,0,0|1,1,0]=4 69 B9R1.35 CC(=O)C1=CC(Br)=CS1 B020506 [0,1,0,0,1,0|0,1,0]=3 70 B9R1.35 CC(=O)C1=CC=C(F)S1 B046183 [0,1,0,0,1,0|0,1,0]=3 71 B9R1.35 CC(=O)C1=CSC(C)=N1 B059741 [0,1,0,0,1,0|2,0,0]=4 72 B9R1.35 CC(=O)C1=NN(C)C=C1 B017804 [0,1,0,0,1,0|2,0,0]=4 73 B9R1.35 CC1=NOC(C(=O)O)=C1 B028540 [0,1,0,0,1,0|2,0,0]=4 74 B9R1.35 NC(=O)C1=CC=C(F)S1 B051305 [0,1,0,0,1,0|1,1,0]=4 75 B9R1.35 O=C(Cl)C1=CC=C(F)S1 B051304 [0,1,0,0,1,0|1,1,0]=4 76 B9R1.35 O=C(O)C1=CC(Br)=CS1 B013954 [0,1,0,0,1,0|1,1,0]=4 77 B9R1.35 O=C(O)C1=CC=C(F)S1 B029946 [0,1,0,0,1,0|1,1,0]=4 78 B9R1.41 CC(=O)C1=CC=NN1C B017805 [0,1,0,0,1,0|2,0,0]=4 79 B11R1.157 CC(=O)CC1=CC(C)=CC=N1 B037032 [0,1,0,0,0,1|1,0,0]=3 80 B11R1.25 CNC(C)CCC1=CC=CO1 B020890 [0,1,0,0,0,1|1,0,1]=4 81 B11R1.75 CC1=CC=C(CNC(C)C)O1 B059716 [0,1,0,0,0,1|1,0,1]=4 82 B11R1.75 O=C(O)CCC1=CC(=O)NO1 B050830 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.75 O=C(O)CCC1=CC(Cl)=NO1 B020864 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.31 COC(=O)C(C)N1C=CC=N1 B052662 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.39 COC(=O)CC1=CN=C(N)S1 B050292 [0,2,0,0,0,0|1,1,0]=4 86 B11R1.39 COC(=O)CN1C=C(I)C=N1 B047801 [0,2,0,0,0,0|2,0,0]=4 87 B11R1.39 COC(=O)CN1C=C(N)C=N1 B038149 [0,2,0,0,0,0|2,0,0]=4 88 B11R1.80 CC(=O)CN1C=C(I)C(C)=N1 B047783 [0,2,0,0,0,0|2,0,0]=4 89 B11R1.313 CC(=O)CN1N=CC(I)=C1C B047784 [0,2,0,0,0,0|2,0,0]=4 90 B11R1.645 CC(=O)CN1N=C(C)C=C1C B021107 [0,2,0,0,0,0|2,0,0]=4 91 B9R1.8 CNCC1=CC=CC=N1 B059678 [1,0,0,0,0,1|2,0,0]=4 92 B9R1.8 CNCC1=NC=CN=C1 B050431 [1,0,0,0,0,1|2,0,0]=4 93 B11R1.91 O=C(O)CCC1=NC=CC=C1 B039507 [0,0,0,0,0,2|2,0,0]=4 94 B11R1.91 O=C(O)CNC1=CC=CC=C1 B003332 [0,0,0,0,0,2|2,0,0]=4 95 B11R1.91 O=C(O)CSC1=NC=CC=C1 B003349 [0,0,0,0,0,2|2,0,0]=4