0 B8R1.7 CC(C)C1=NNC=C1 B037623 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.7 CC(C)N1C=CC=N1 B036490 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.7 CC(N)C1=CC=CS1 B030506 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.7 CC(N)C1=CSC=N1 B059754 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.7 CC(N)C1=NC=CS1 B059669 [0,0,0,0,0,0|1,0,1]=2 5 B8R1.7 NC(=O)C1=NCCN1 B049605 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.7 NC(=O)C1=NNC=C1 B039302 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.7 NC(=S)C1=NOC=N1 B050878 [0,0,0,0,0,0|3,1,0]=4 8 B8R1.7 O=C(O)C1=CC=NS1 B049203 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.7 O=C(O)C1=NNC=C1 B000140 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.7 O=C(O)C1=NNC=N1 B048959 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.7 O=C(O)C1=NON=C1 B050168 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.7 O=C(O)C1=NSN=C1 B049226 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.7 O=[N+]([O-])C1=NNC=C1 B006760 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.7 O=[N+]([O-])C1=NNC=N1 B006601 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.1 C(=O)C1=CC=NN1 B039168 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.1 CCC1=NNC=C1 B063501 [1,0,0,0,0,0|2,0,1]=4 17 B7R1.1 CCN1C=CC=N1 B006762 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.1 NCC1=NC=CS1 B059667 [1,0,0,0,0,0|1,0,1]=3 19 B7R1.1 O=CC1=NC=CS1 B046187 [1,0,0,0,0,0|0,0,0]=1 20 B9R1.11 CCC(=O)C1=NC=CS1 B059780 [0,1,0,0,0,0|0,0,0]=1 21 B9R1.11 CCC(N)C1=NC=CS1 B059785 [0,1,0,0,0,0|1,0,1]=3 22 B9R1.11 CNC(=O)C1=NNC=C1 B047463 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.11 COC(=O)C1=CC=CN1 B049814 [0,1,0,0,0,0|1,0,1]=3 24 B9R1.11 COC(=O)C1=CC=NN1 B016176 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.11 COC(=O)C1=CC=NO1 B038949 [0,1,0,0,0,0|2,1,0]=4 26 B9R1.11 C\C(=N/O)C1=CC=CO1 B006531 [0,1,0,0,0,0|1,1,1]=4 27 B9R1.11 NNC(=O)C1=NNC=C1 B015431 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.35 CC(=O)C1=CC(Br)=CS1 B020506 [0,1,0,0,0,0|1,0,0]=2 29 B9R1.35 CC(=O)C1=CC=C(F)S1 B046183 [0,1,0,0,0,0|1,0,0]=2 30 B9R1.35 CC(=O)C1=CSC(C)=N1 B059741 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.35 CC(=O)C1=NN(C)C=C1 B017804 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.35 CC(O)C1=CC=C(F)S1 B046192 [0,1,0,0,0,0|1,0,2]=4 33 B9R1.35 CC1=CC(C(=O)O)=NN1 B000144 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.35 CC1=CC(C(=O)O)=NO1 B007473 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.35 CC1=CSC(C(C)N)=N1 B059735 [0,1,0,0,0,0|1,0,1]=3 36 B9R1.35 CN1C=CC(C(=O)Cl)=N1 B006627 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.35 CN1C=CC(C(=O)O)=N1 B000139 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.35 CN1C=CC(C(N)=O)=N1 B047067 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.35 CN1C=NC(C(=O)O)=C1 B049879 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.35 NC(=O)C1=CC=C(F)S1 B051305 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.35 NC(=O)C1=NNC(N)=C1 B046261 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.35 O=C(Cl)C1=CC=C(F)S1 B051304 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.35 O=C(O)C1=CC(Br)=CS1 B013954 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.35 O=C(O)C1=CC=C(F)S1 B029946 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.35 O=[N+]([O-])C1=CC=C(F)S1 B047233 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.41 CC(=O)C1=CC=NN1C B017805 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.41 CC(=O)C1=NON=C1C B048952 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.41 NC(=O)C1=NNC=C1I B047693 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.41 NC(=O)C1=NNC=C1N B047294 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.41 NC(=O)C1=NSC=C1N B050218 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.41 NC1=CNN=C1C(=O)O B047686 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.41 NC1=CSN=C1C(=O)O B049586 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.41 O=C(Cl)C1=NNC=C1Br B011870 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.41 O=C(Cl)C1=NNC=C1Cl B011488 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.41 O=C(O)C1=NNC=C1Br B006501 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.41 O=C(O)C1=NNC=C1Cl B000131 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.41 O=C(O)C1=NNC=C1I B006484 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.6 NC(=S)C1=CC=CN=C1 B028584 [0,0,0,0,0,1|2,1,0]=4 59 B9R1.13 CC(=O)CN1C=CC=N1 B021105 [0,0,0,0,0,1|2,0,0]=3 60 B9R1.13 CC(=O)CN1N=CN=N1 B050142 [0,0,0,0,0,1|3,0,0]=4 61 B9R1.13 O=C(O)CN1C=CC=N1 B030032 [0,0,0,0,0,1|3,0,0]=4 62 B6R1.2 CC1=NN=CN1 B037419 [2,0,0,0,0,0|2,0,0]=4 63 B6R1.2 CC1=NNC=C1 B022230 [2,0,0,0,0,0|2,0,0]=4 64 B6R1.2 CN1C=CC=N1 B006761 [2,0,0,0,0,0|2,0,0]=4 65 B6R1.2 FC1=CC=CS1 B039753 [2,0,0,0,0,0|2,0,0]=4 66 B6R1.2 NC1=NC=NS1 B050769 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.1 C(=O)C1=CC=C(F)S1 B039130 [1,1,0,0,0,0|1,0,0]=3 68 B8R1.1 CC1=CC=C(C=O)S1 B015983 [1,1,0,0,0,0|1,0,0]=3 69 B8R1.1 CC1=CSC(CCl)=N1 B059707 [1,1,0,0,0,0|1,0,1]=4 70 B8R1.1 CC1=CSC(CN)=N1 B030505 [1,1,0,0,0,0|1,0,1]=4 71 B8R1.1 CN1C=CC(C=O)=N1 B007390 [1,1,0,0,0,0|2,0,0]=4 72 B8R1.1 O=CC1=CC=C(Cl)S1 B022480 [1,1,0,0,0,0|1,0,0]=3 73 B8R1.1 O=CC1=CN=C(Cl)S1 B030507 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.8 CCCC1=CC=CS1 B046363 [1,1,0,0,0,0|1,0,1]=4 75 B8R1.8 CNCC1=NC=CN1 B059758 [1,1,0,0,0,0|1,0,1]=4 76 B8R1.8 CNCC1=NC=CS1 B059668 [1,1,0,0,0,0|0,0,1]=3 77 B8R1.8 NCCC1=NC=CS1 B059753 [1,1,0,0,0,0|0,0,1]=3 78 B8R1.11 C(=O)C1=NC=NN1C B052001 [1,1,0,0,0,0|2,0,0]=4 79 B8R1.11 CN1C=CN=C1C=O B038490 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.27 CCC(=O)CC1=CC=CO1 B050873 [0,1,0,0,0,1|1,1,0]=4 82 B10R1.27 COC(=O)CN1C=CC=N1 B030300 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.27 NNC(=O)CC1=CC=CS1 B015007 [0,1,0,0,0,1|2,0,0]=4 84 B10R1.54 CC(=O)CN1C=C(Br)C=N1 B021112 [0,1,0,0,0,1|2,0,0]=4 85 B10R1.54 CC(=O)CN1C=C(Br)C=N1 B034873 [0,1,0,0,0,1|2,0,0]=4 86 B10R1.54 CC(=O)CN1C=C(C)C=N1 B037599 [0,1,0,0,0,1|2,0,0]=4 87 B10R1.54 CC(=O)CN1C=CC(C)=N1 B020842 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.54 O=C(O)CC1=CC=C(F)S1 B052453 [0,1,0,0,0,1|2,0,0]=4 89 B10R1.64 CC(=O)CN1N=CC=C1C B021106 [0,1,0,0,0,1|2,0,0]=4 90 B10R1.11 CCNC(=O)C1=NNC=C1 B063799 [0,2,0,0,0,0|2,0,0]=4 91 B10R1.14 CNC(=O)C1=NN(C)C=C1 B047117 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.14 COC(=O)C1=CC=C(F)S1 B052513 [0,2,0,0,0,0|1,0,0]=3 93 B10R1.14 COC(=O)C1=NC(N)=NN1 B024924 [0,2,0,0,0,0|2,0,0]=4 94 B10R1.14 COC(=O)C1=NN(C)C=C1 B016223 [0,2,0,0,0,0|2,0,0]=4 95 B10R1.14 COC(=O)C1=NNC(I)=C1 B062943 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.14 COC(=O)C1=NNC(N)=C1 B022624 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.14 COC(=O)C1=NNC(N)=C1 B051754 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.14 COC(=O)C1=NOC(C)=C1 B007472 [0,2,0,0,0,0|2,0,0]=4 99 B10R1.14 C\C(=N/O)C1=CC=C(F)S1 B046287 [0,2,0,0,0,0|1,0,1]=4 100 B10R1.14 NNC(=O)C1=CC(Br)=CS1 B015343 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.14 NNC(=O)C1=CC=C(F)S1 B052501 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.149 COC(=O)C1=C(N)C=CS1 B020093 [0,2,0,0,0,0|1,0,0]=3 103 B10R1.149 COC(=O)C1=C(O)C=CS1 B029631 [0,2,0,0,0,0|1,0,0]=3 104 B10R1.149 COC(=O)C1=NNC=C1Br B020665 [0,2,0,0,0,0|2,0,0]=4 105 B10R1.149 COC(=O)C1=NNC=C1Cl B018604 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.149 COC(=O)C1=NNC=C1I B036016 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.149 COC(=O)C1=NNC=C1N B050914 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.31 CC(=O)C1=CC(CO)=CS1 B050197 [0,2,0,0,0,0|1,0,0]=3 109 B10R1.31 CCC1=CC=C(C(=O)O)S1 B000094 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.31 CCC1=CC=C(C(C)=O)S1 B020337 [0,2,0,0,0,0|1,0,0]=3 111 B10R1.31 CCN1C=CC(C(C)=O)=N1 B017803 [0,2,0,0,0,0|2,0,0]=4 112 B10R1.58 CC(=O)C1=NN(C)C(C)=C1 B059391 [0,2,0,0,0,0|2,0,0]=4 113 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 B029947 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 B013955 [0,2,0,0,0,0|2,0,0]=4 115 B10R1.59 CC(=O)C1=NN(C)C=C1Cl B017914 [0,2,0,0,0,0|2,0,0]=4 116 B10R1.59 CC(=O)C1=NN(C)C=C1I B047752 [0,2,0,0,0,0|2,0,0]=4