0 B9R1.35 CC(=O)C1=CC(Br)=CS1 B020506 [0,0,0,0,0,0|3,1,0]=4 1 B9R1.35 CC(=O)C1=CC=C(F)S1 B046183 [0,0,0,0,0,0|1,1,0]=2 2 B9R1.35 CC(=O)C1=CSC(C)=N1 B059741 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC(=O)C1=NN(C)C=C1 B017804 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 CC(O)C1=CC=C(F)S1 B046192 [0,0,0,0,0,0|1,1,1]=3 5 B9R1.35 CC1=CC(C(=O)O)=CS1 B007488 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CC1=CC(C(=O)O)=NN1 B000144 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 CC1=CC(C(=O)O)=NO1 B007473 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 CC1=NOC(C(=O)O)=C1 B028540 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.35 CN1C=C(C(=O)O)C=N1 B000227 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 CN1C=CC(C(=O)Cl)=N1 B006627 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.35 CN1C=CC(C(=O)O)=N1 B000139 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.35 CN1C=CC(C(N)=O)=N1 B047067 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 CN1C=NC(C(=O)O)=C1 B049879 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 NC(=O)C1=CC=C(F)S1 B051305 [0,0,0,0,0,0|1,1,0]=2 15 B9R1.35 NC1=NNC(C(=O)O)=C1 B007338 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.35 NC1=NNC(C(=O)O)=C1 B015878 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.35 O=C(Cl)C1=CC=C(F)S1 B051304 [0,0,0,0,0,0|1,1,0]=2 18 B9R1.35 O=C(O)C1=CC(Br)=CS1 B013954 [0,0,0,0,0,0|2,1,0]=3 19 B9R1.35 O=C(O)C1=CC=C(F)S1 B029946 [0,0,0,0,0,0|0,1,0]=1 20 B9R1.35 O=C1C=C(C(=O)O)NN1 B050600 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.35 O=[N+]([O-])C1=CC=C(F)S1 B047233 [0,0,0,0,0,0|1,1,1]=3 22 B9R1.35 OB(O)C1=CC=C(F)S1 B046258 [0,0,0,0,0,0|1,1,1]=3 23 B8R1.1 C#CC1=CC=C(F)S1 B052545 [1,0,0,0,0,0|1,1,1]=4 24 B8R1.1 C(=O)C1=CC=C(F)S1 B039130 [1,0,0,0,0,0|0,1,0]=2 25 B8R1.1 CC1=CC=C(C=O)S1 B015983 [1,0,0,0,0,0|1,0,0]=2 26 B8R1.1 CC1=CC=C(CN)S1 B030516 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.1 CN1C=CC(C=O)=N1 B007390 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.1 FC1=CC=C(CBr)S1 B058943 [1,0,0,0,0,0|1,1,1]=4 29 B8R1.1 FC1=CC=C(CCl)S1 B052448 [1,0,0,0,0,0|1,1,1]=4 30 B8R1.1 N#CC1=CC=C(F)S1 B051306 [1,0,0,0,0,0|1,1,1]=4 31 B8R1.1 NCC1=CC=C(F)S1 B052432 [1,0,0,0,0,0|1,1,1]=4 32 B8R1.1 O=CC1=CC=C(Cl)S1 B022480 [1,0,0,0,0,0|0,0,0]=1 33 B8R1.1 O=CC1=CN=C(Cl)S1 B030507 [1,0,0,0,0,0|1,0,0]=2 34 B8R1.1 O=CC1=CSC(Br)=C1 B059806 [1,0,0,0,0,0|2,1,0]=4 35 B8R1.1 OCC1=CC=C(F)S1 B046290 [1,0,0,0,0,0|0,1,1]=3 36 B8R1.7 CC(N)C1=CC=CS1 B030506 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.7 NC(=O)C1=NNC=C1 B039302 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.7 O=C(O)C1=CC=NS1 B049203 [1,0,0,0,0,0|1,0,0]=2 39 B8R1.7 O=C(O)C1=CNN=C1 B015883 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.7 O=C(O)C1=NNC=C1 B000140 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.7 O=C(O)C1=NNC=N1 B048959 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.7 O=C(O)C1=NON=C1 B050168 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.7 O=C(O)C1=NSN=C1 B049226 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.14 COC(=O)C1=CC=C(F)S1 B052513 [0,1,0,0,0,0|0,1,0]=2 45 B10R1.14 COC(=O)C1=NN(C)C=C1 B016223 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.14 C\C(=N/O)C1=CC=C(F)S1 B046287 [0,1,0,0,0,0|1,1,0]=3 47 B10R1.14 NNC(=O)C1=CC=C(F)S1 B052501 [0,1,0,0,0,0|1,1,0]=3 48 B10R1.31 CCC1=CC=C(C(=O)O)S1 B000094 [0,1,0,0,0,0|1,0,0]=2 49 B10R1.31 CCC1=CC=C(C(C)=O)S1 B020337 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.31 CCN1C=CC(C(=O)O)=N1 B000137 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.31 COC1=NC=C(C(=O)O)S1 B059784 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.31 COC1=NC=C(C(=O)[O-])S1 B061073 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.31 O=C(O)C1=NN(CO)C=C1 B020581 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.55 O=S(=O)(Cl)C1=CC=C(Br)S1 B019399 [0,1,0,0,0,0|1,1,1]=4 55 B10R1.55 O=S(=O)(Cl)C1=CC=C(Cl)S1 B019398 [0,1,0,0,0,0|1,0,1]=3 56 B10R1.55 O=S(=O)(Cl)C1=CC=C(F)S1 B039129 [0,1,0,0,0,0|1,1,1]=4 57 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 B029947 [0,1,0,0,0,0|1,0,0]=2 58 B10R1.58 CC1=CC(C(=O)O)=NN1C B035940 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.58 CN1N=C(C(=O)O)C=C1N B037986 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 B013955 [0,1,0,0,0,0|0,1,0]=2 61 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 B030024 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.59 CN1C=C(Br)C(C(=O)O)=N1 B000146 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.59 CN1C=C(Cl)C(C(=O)O)=N1 B000147 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.59 CN1C=C(I)C(C(=O)O)=N1 B000136 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.59 CN1C=C(N)C(C(=O)O)=N1 B016041 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 B007490 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [0,0,0,0,0,1|2,0,0]=3 68 B10R1.54 CC1=NN(CC(=O)O)C=C1 B006507 [0,0,0,0,0,1|3,0,0]=4 69 B10R1.54 CN1C=CC(CC(=O)O)=N1 B043667 [0,0,0,0,0,1|3,0,0]=4 70 B10R1.54 NC1=NN(CC(=O)O)C=C1 B019309 [0,0,0,0,0,1|3,0,0]=4 71 B10R1.54 NC1=NN(CC(=O)O)C=C1 B029376 [0,0,0,0,0,1|3,0,0]=4 72 B10R1.54 O=C(O)CC1=CC=C(F)S1 B052453 [0,0,0,0,0,1|0,1,0]=2 73 B10R1.54 O=C(O)CN1C=C(Cl)C=N1 B020509 [0,0,0,0,0,1|3,0,0]=4 74 B10R1.54 O=C(O)CN1C=CC(Br)=N1 B050952 [0,0,0,0,0,1|2,1,0]=4 75 B10R1.54 O=C(O)CN1C=NC(Cl)=N1 B051934 [0,0,0,0,0,1|3,0,0]=4 76 B7R1.1 C(=O)C1=CC=NN1 B039168 [2,0,0,0,0,0|2,0,0]=4 77 B7R1.1 O=CC1=NC=CS1 B046187 [2,0,0,0,0,0|1,0,0]=3 78 B7R1.2 FC1=CC=C(Br)S1 B052433 [2,0,0,0,0,0|1,1,0]=4 79 B7R1.2 FC1=CC=C(I)S1 B052477 [2,0,0,0,0,0|1,1,0]=4 80 B9R1.7 O\N=C\C1=CC=C(F)S1 B046225 [1,1,0,0,0,0|0,1,0]=3 81 B9R1.21 CCC1=CC=C(C=O)S1 B003568 [1,1,0,0,0,0|1,0,0]=3 82 B9R1.21 COC1=NC=C(C=O)S1 B059779 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.23 CC1=C(Br)C=C(C=O)S1 B003571 [1,1,0,0,0,0|1,0,0]=3 84 B9R1.23 O=CC1=CC(Br)=C(Br)S1 B006821 [1,1,0,0,0,0|0,1,0]=3 85 B9R1.11 CCC(=O)C1=NC=CS1 B059780 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.11 COC(=O)C1=CC=CN1 B049814 [1,1,0,0,0,0|1,0,0]=3 87 B9R1.11 COC(=O)C1=CC=NN1 B016176 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.11 COC(=O)C1=CC=NO1 B038949 [1,1,0,0,0,0|1,1,0]=4 89 B9R1.11 C\C(=N/O)C1=CC=CO1 B006531 [1,1,0,0,0,0|1,1,0]=4 90 B9R1.41 CC1=C(C(=O)O)SN=N1 B049290 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.41 CN1N=CC=C1C(=O)O B000141 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.41 NC1=CNN=C1C(=O)O B036422 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.41 NC1=CNN=C1C(=O)O B047686 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.41 NC1=CSN=C1C(=O)O B049586 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.41 O=C(O)C1=NNC=C1Br B006501 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.41 O=C(O)C1=NNC=C1Cl B000131 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.41 O=C(O)C1=NNC=C1I B006484 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.3 COC1=NC=C(C(=O)O)C=C1 B049007 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.21 CN1C=C(C(=O)O)C=CC1=O B039490 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 B022963 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.39 COC(=O)CC1=CN=C(N)S1 B050292 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 B049542 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.74 O=C1C=C(C(=O)O)NC(=S)N1 B049632 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.159 NC1=C(O)C(C(=O)O)=CC=C1 B048728 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.159 NC1=CC=CC(C(=O)O)=C1N B050432 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 B019567 [0,1,0,0,0,1|1,1,0]=4 107 B11R1.15 CCOC(=O)C1=CC=C(F)S1 B047311 [0,2,0,0,0,0|0,1,0]=3 108 B11R1.44 COC(=O)C1=CC=C(CBr)S1 B037057 [0,2,0,0,0,0|0,1,0]=3 109 B11R1.44 COC(=O)C1=NN(CCl)C=C1 B015679 [0,2,0,0,0,0|2,0,0]=4 110 B11R1.225 COC(=O)C1=C(C)N=C(N)S1 B000344 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.226 NNC(=O)C1=CC(Br)=C(Br)S1 B015344 [0,2,0,0,0,0|1,1,0]=4 112 B11R1.48 CCC1=C(Br)C=C(C(=O)O)S1 B013956 [0,2,0,0,0,0|1,0,0]=3 113 B11R1.124 CCCC1=CC=C(C(=O)O)S1 B021709 [0,2,0,0,0,0|1,0,0]=3 114 B11R1.124 CCCC1=CC=C(C(C)=O)S1 B016337 [0,2,0,0,0,0|2,0,0]=4 115 B11R1.124 CCSC1=CC=C(C(=O)O)S1 B029968 [0,2,0,0,0,0|1,0,0]=3 116 B11R1.124 CNCC1=CC=C(C(=O)O)S1 B059674 [0,2,0,0,0,0|1,0,0]=3 117 B11R1.175 CC(C)C1=CC=C(C(=O)O)S1 B029943 [0,2,0,0,0,0|1,0,0]=3 118 B9R1.13 O=C(O)CN1C=CC=N1 B030032 [1,0,0,0,0,1|2,0,0]=4