0 B9R1.35 CC1=COC(C(=O)[O-])=N1 AT25441 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 CC1=NC(C(N)=S)=CO1 D79721 [0,0,0,0,0,0|2,2,0]=4 2 B9R1.35 CC1=NSC(C(=O)[O-])=N1 P17953 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 NC(=O)C1=CN=C(N)O1 D83519 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 O=C(O)C1=CC(Cl)=CO1 P20559 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 O=C(O)C1=CC(F)=CN1 W11739 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.7 O=C(O)C1=NC=NS1 AC1260 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.14 COC(=O)C1=NC=C(C)N1 Y14700 [0,1,0,0,0,0|3,0,0]=4 8 B10R1.14 COC(=O)C1=NNC(I)=C1 P14584 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.31 CCC1=CNC(C(=O)O)=C1 E70419 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.31 COC1=CNC(C(=O)O)=C1 AC8161 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.31 N#CC1=CC(C(=O)O)=NN1 C11143 [0,1,0,0,0,0|2,0,1]=4 12 B10R1.31 N#CC1=NC(C(=O)O)=CS1 AT19518 [0,1,0,0,0,0|1,0,1]=3 13 B10R1.31 NCC1=NC=C(C(=O)O)S1 86635 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.58 CC1=C(Br)N=C(C(=O)O)N1 96268 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.58 CN1C=C(C(=O)O)N=C1Br C76737 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.59 CN1C=C(F)C(C(=O)O)=N1 97594 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.59 O=C(O)C1=C(Cl)N=C(Br)S1 Y10484 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.194 CC1=C(N)C(C(=O)O)=CS1 C76086 [0,1,0,0,0,0|0,0,0]=1 19 B8R0.23 C=C(CC(C)C)C(=O)O W18790 [0,0,1,0,0,0|1,0,2]=4 20 B10R1.13 NC(=O)C1=CN=C(Cl)N=C1 D72721 [0,0,0,0,0,1|3,0,0]=4 21 B10R1.13 NC(=O)C1=NC=C(O)N=C1 11939 [0,0,0,0,0,1|3,0,0]=4 22 B10R1.54 CC1=NC(CC(=O)O)=CO1 E70433 [0,0,0,0,0,1|1,1,0]=3 23 B10R1.113 CC1=CC(C(=O)O)=CN=N1 P12606 [0,0,0,0,0,1|1,0,0]=2 24 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 D79763 [0,0,0,0,0,1|3,0,0]=4 25 B10R1.113 O=C(O)C1=CC(Cl)=CN=N1 C71768 [0,0,0,0,0,1|3,0,0]=4 26 B7R1.1 OCC1=NSC=C1 AT21123 [2,0,0,0,0,0|1,0,1]=4 27 B7R1.2 CC1=NC(N)=CS1 AC8716 [2,0,0,0,0,0|2,0,0]=4 28 B7R1.2 ClC1=CC(Br)=CS1 AT16572 [2,0,0,0,0,0|2,0,0]=4 29 B7R1.2 FC1=CSC(Br)=C1 T70774 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.41 CC(=O)C1=CSC=C1Cl 82933 [1,1,0,0,0,0|1,0,0]=3 31 B9R1.41 CC1=CON=C1C(=O)O C74055 [1,1,0,0,0,0|1,1,0]=4 32 B11R1.3 C#CC1=CN=C(C(=O)O)C=C1 55104 [0,1,0,0,0,1|1,0,1]=4 33 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 C76094 [0,1,0,0,0,1|2,0,0]=4 34 B11R1.3 CCC1=CN=C(C(=O)O)C=N1 D79974 [0,1,0,0,0,1|1,0,0]=3 35 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 AT22917 [0,1,0,0,0,1|2,0,0]=4 36 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 F20825 [0,1,0,0,0,1|2,0,0]=4 37 B11R1.21 CC1=C(F)C=C(C(=O)O)N=C1 W19243 [0,1,0,0,0,1|1,0,0]=3 38 B11R1.21 O=C(O)C1=CC=C(F)C(F)=N1 D74727 [0,1,0,0,0,1|2,0,0]=4 39 B11R1.21 O=C(O)C1=CC=C(O)C(=O)N1 O11445 [0,1,0,0,0,1|2,0,0]=4 40 B11R1.21 O=C(O)C1=NC(O)=C(O)N=C1 O11326 [0,1,0,0,0,1|2,0,0]=4 41 B11R1.166 CC1=C(C(=O)O)C=NC(N)=N1 D79723 [0,1,0,0,0,1|2,0,0]=4 42 B11R1.166 NC1=CC(F)=CN=C1C(=O)O P17500 [0,1,0,0,0,1|2,0,0]=4 43 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 Y10195 [0,1,0,0,0,1|1,0,0]=3 44 B11R1.74 O=C(O)C1=CC(Cl)=NC(F)=C1 AC8374 [0,1,0,0,0,1|2,0,0]=4 45 B11R1.159 CC(=O)C1=C(Br)C(C)=CC=C1 D82779 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.159 CC1=C(C(=O)O)C=CN=C1Br D72094 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.159 CN1N=CC=C(C(=O)O)C1=O 63166 [0,1,0,0,0,1|2,0,0]=4 48 B11R1.159 O=C(O)C1=C(F)C(Cl)=NC=N1 D96548 [0,1,0,0,0,1|2,0,0]=4 49 B11R1.159 O=C(O)C1=C(O)C(F)=NC=C1 D94423 [0,1,0,0,0,1|2,0,0]=4 50 B11R1.167 CN1C=CC(=O)C(C(=O)O)=C1 AT13146 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.167 NC1=CC(C(=O)O)=C(N)C=C1 D77186 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.266 C#CC1=CC(C(=O)O)=CN=C1 AT12834 [0,1,0,0,0,1|1,0,1]=4 53 B11R1.266 C=CC1=NC=CC(C(=O)O)=C1 AT19513 [0,1,0,0,0,1|1,0,1]=4 54 B11R1.266 COC1=CC(C(=O)O)=NN=C1 F30535 [0,1,0,0,0,1|2,0,0]=4 55 B11R1.266 N#CC1=CC(C(=O)O)=NC=C1 79647 [0,1,0,0,0,1|1,0,1]=4 56 B11R1.266 NCC1=CC(C(N)=O)=CN=C1 Y10183 [0,1,0,0,0,1|2,0,0]=4 57 B11R1.266 NCC1=CC=CC(C(=O)O)=N1 Y11519 [0,1,0,0,0,1|2,0,0]=4 58 B11R1.44 CCC1=CNC(C(=O)OC)=C1 C15752 [0,2,0,0,0,0|2,0,0]=4 59 B11R1.44 COC(=O)C1=CC(CO)=CN1 D72120 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.225 COC(=O)C1=C(C)SC(Br)=C1 78904 [0,2,0,0,0,0|1,0,0]=3 61 B11R1.175 C[C@H](N)C1=NC=C(C(=O)O)S1 86531 [0,2,0,0,0,0|2,0,0]=4 62 B11R1.175 O=C(O)C1=NSC([N+](=O)[O-])=C1 D72309 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.473 CCC1=C(F)C(C(=O)O)=NN1 W16516 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.673 CC1=C(C)C(C(=O)O)=C(I)S1 79487 [0,2,0,0,0,0|0,0,0]=2 65 B11R1.673 CC1=NN(C)C(C(=O)O)=C1F W13697 [0,2,0,0,0,0|2,0,0]=4 66 B9R1.2 CC1=CC=NC(C=O)=N1 P10996 [1,0,0,0,0,1|2,0,0]=4 67 B9R1.2 O=CC1=NC=CC(F)=C1 P11634 [1,0,0,0,0,1|2,0,0]=4 68 B9R1.13 O=C(O)CC1=CN=CO1 AC2863 [1,0,0,0,0,1|2,0,0]=4 69 B9R1.13 O=C(O)CC1=COC=C1 D96340 [1,0,0,0,0,1|0,1,0]=3 70 B11R1.20 O=C(O)CC1=CN=C(Br)C=C1 AB22208 [0,0,0,0,0,2|2,0,0]=4 71 B11R1.20 O=C(O)CC1=CN=C(Cl)N=C1 D76258 [0,0,0,0,0,2|2,0,0]=4 72 B11R1.75 CN1C=C(OCC(=O)O)C=N1 P20561 [0,0,0,0,0,2|2,0,0]=4