0 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.2 CN(C)CC(O)=O AC130146 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 CN(C)CC(O)=O AC130178 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.2 C[C@@H](CC(=O)O)N LN01357699 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.2 C[C@H](N)CC(O)=O AC130275 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 NC(=N)CC(N)=O AC500311 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.1 CC(=O)CC#N AC511126 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 CCCC([O-])=O HY-B0350A [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 CCOC(C)=N AC510695 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.1 CCOC(N)=O HY-B1207 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.1 CCOC([S-])=S AC510653 [1,0,0,0,0,0|1,1,1]=4 11 B5R0.1 CN(C)NC=O AC021455 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 CNCC(O)=O AC500168 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.2 CC(=CN(C)C)C=O LN02184528 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.2 CN(C)/C=C(\C)C=O AC020988 [0,1,0,0,0,0|2,0,1]=4 15 B7R0.9 CC(C)(C)OC(N)=O AC130255 [0,1,0,0,0,0|1,0,2]=4 16 B7R1.2 BrC1=CC=C(Br)O1 AC060039 [0,0,0,1,0,0|2,0,1]=4 17 B7R1.2 CC1=CC(=CS1)Br LN00009283 [0,0,0,1,0,0|2,1,0]=4 18 B7R1.2 CC1=CC(Br)=CS1 AC181846 [0,0,0,1,0,0|2,1,0]=4 19 B7R1.2 CC1=CN=C(C)N1 LN00227182 [0,0,0,1,0,0|2,0,0]=3 20 B7R1.2 CC1=CN=C(C)S1 AC180738 [0,0,0,1,0,0|1,1,0]=3 21 B7R1.2 CC1=CN=C(Cl)S1 AC050511 [0,0,0,1,0,0|2,1,0]=4 22 B7R1.2 CC1=CNC(Br)=N1 AC512184 [0,0,0,1,0,0|3,0,0]=4 23 B7R1.2 CC1=CSC(Br)=N1 AC182309 [0,0,0,1,0,0|2,1,0]=4 24 B7R1.2 CC1=CSC(N)=N1 AC511057 [0,0,0,1,0,0|2,1,0]=4 25 B7R1.2 CC1=NC(I)=CN1 AC050638 [0,0,0,1,0,0|3,0,0]=4 26 B7R1.2 CN1C=CC(C)=N1 AC180405 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.2 O=C1CCC(=O)C1 AC170075 [0,0,0,1,0,0|2,0,0]=3 28 B7R1.2 O=C1NC(=O)C=C1 AC500013 [0,0,0,1,0,0|2,0,1]=4 29 B5R0.5 CC(=O)C(O)=O AC500188 [0,0,0,0,1,0|2,0,0]=3 30 B5R0.5 OC(=O)C(F)=C AC511915 [0,0,0,0,1,0|2,0,0]=3 31 B7R0.6 CC(=O)CCC(C)=O AC130061 [0,0,0,0,0,1|2,0,0]=3 32 B7R0.6 CC(C)NNC(C)=O AC021553 [0,0,0,0,0,1|1,0,2]=4 33 B4R0.1 CC(=C)CBr AC500207 [2,0,0,0,0,0|1,0,1]=4 34 B4R0.1 CC(=O)CN AC511171 [2,0,0,0,0,0|1,0,1]=4 35 B4R0.1 CC(=O)NN AC130308 [2,0,0,0,0,0|2,0,0]=4 36 B4R0.1 CC(=O)NO AC130286 [2,0,0,0,0,0|2,0,0]=4 37 B4R0.1 CC(=O)NO HY-B1235 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.1 CCOC(=O)CI AC131813 [1,1,0,0,0,0|0,0,1]=3 39 B6R0.1 CCOC(=O)CO AC130521 [1,1,0,0,0,0|0,0,1]=3 40 B6R0.1 CCOC(=O)CS AC130132 [1,1,0,0,0,0|0,0,1]=3 41 B6R0.3 CON(C)C(C)=O AC130053 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.4 CC(=O)CCCCl AC511746 [1,1,0,0,0,0|1,0,1]=4 43 B6R0.4 CC(=O)OCCBr AC511000 [1,1,0,0,0,0|0,0,1]=3 44 B6R0.4 CCCOC(N)=O AC512151 [1,1,0,0,0,0|1,0,1]=4 45 B6R0.4 OC(=O)CCC=C AC511045 [1,1,0,0,0,0|2,0,0]=4 46 B8R0.23 C[C@H](OC(C)=O)C(O)=O AC020546 [0,1,0,0,0,1|2,0,0]=4 47 B8R0.5 CC(C)OC(=O)OCCl AC511675 [0,2,0,0,0,0|0,0,2]=4 48 B8R0.24 CC(C)(C)OC(=O)CBr AC130036 [0,2,0,0,0,0|0,0,2]=4 49 B8R0.24 CC(C)(C)OC(=O)CN AC510914 [0,2,0,0,0,0|0,0,2]=4 50 B8R0.24 CC(C)(C)OC(=O)CN AC511637 [0,2,0,0,0,0|0,0,2]=4 51 B8R0.24 CC(C)(C)OC(=O)CO AC181683 [0,2,0,0,0,0|0,0,2]=4 52 B8R0.24 CNC(=O)OC(C)(C)C AC500222 [0,2,0,0,0,0|0,0,2]=4 53 B6R1.2 C1CSCC1=O LN00009539 [1,0,0,1,0,0|2,0,0]=4 54 B6R1.2 CC1=CCCC1 AC220188 [1,0,0,1,0,0|1,0,1]=4 55 B6R1.2 CC1=CN=CN1 AC190147 [1,0,0,1,0,0|2,0,0]=4 56 B6R1.2 CC1=CN=CS1 AC510736 [1,0,0,1,0,0|1,1,0]=4 57 B6R1.2 CC1=CSC=N1 AC130333 [1,0,0,1,0,0|1,1,0]=4 58 B6R1.2 CC1=NC=CS1 AC180527 [1,0,0,1,0,0|1,1,0]=4 59 B6R1.2 NC1=NC=CO1 AC182080 [1,0,0,1,0,0|2,0,0]=4 60 B6R1.2 O=C1CC=NN1 AC250038 [1,0,0,1,0,0|2,0,0]=4 61 B6R1.2 O=C1CCNC1 AC220156 [1,0,0,1,0,0|2,0,0]=4 62 B6R1.2 O=C1CCNC1 AC511910 [1,0,0,1,0,0|2,0,0]=4 63 B6R1.2 O=C1CCNN1 AC130160 [1,0,0,1,0,0|2,0,0]=4 64 B6R1.2 O=C1CCOC1 AC220014 [1,0,0,1,0,0|2,0,0]=4 65 B6R1.2 O=C1NC=CN1 AC180428 [1,0,0,1,0,0|2,0,0]=4 66 B6R1.2 O=C1NCCO1 AC510795 [1,0,0,1,0,0|1,0,1]=4 67 B8R1.3 CC1=CNC(=O)C=C1 LN00005245 [0,0,0,1,0,1|1,0,1]=4 68 B8R1.3 CC1=NNC(=O)C=C1 AC180424 [0,0,0,1,0,1|1,0,1]=4 69 B8R1.23 OC(=O)C1CC(=C)C1 AC021200 [0,0,0,1,0,1|2,0,0]=4 70 B8R1.1 BrC1=CC=C(O1)C=O AC500242 [0,1,0,1,0,0|1,0,1]=4 71 B8R1.1 BrCC1CCC(=O)O1 AC021454 [0,1,0,1,0,0|0,0,2]=4 72 B8R1.1 C1=C(C=O)OC(=C1)Br LN00131779 [0,1,0,1,0,0|1,0,1]=4 73 B8R1.1 CC1=CC=C(S1)C=O AC511283 [0,1,0,1,0,0|0,1,1]=4 74 B8R1.1 CC1=CN=C(CO)S1 AC512131 [0,1,0,1,0,0|1,1,0]=4 75 B8R1.1 CC1=CN=C(S1)C=O AC182206 [0,1,0,1,0,0|1,1,0]=4 76 B8R1.1 CC1=CSC(=N1)C=O LN00003611 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.1 OC[C@@H]1CCC(=O)O1 AC180593 [0,1,0,1,0,0|0,0,2]=4 78 B8R1.4 CC1=CC(=O)NC=N1 AC170050 [0,1,0,1,0,0|2,0,0]=4 79 B8R1.4 CC1=CC(=O)NN=C1 AC050579 [0,1,0,1,0,0|2,0,0]=4 80 B8R1.4 CC1=CC(C)=NC=N1 AC180136 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.4 O=C1CCCC(=O)C1 AC510798 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.4 O=C1CNCC(=O)N1 AC182622 [0,1,0,1,0,0|2,0,0]=4 83 B8R1.18 CN1CC(=O)N=C1N HY-B0504 [0,1,0,1,0,0|2,0,0]=4 84 B8R1.50 CC1C(=O)CCC1=O AC511789 [0,1,0,1,0,0|2,0,0]=4 85 B8R1.50 IN1C(=O)CCC1=O AC130490 [0,1,0,1,0,0|2,0,0]=4 86 B8R1.50 ON1C(=O)CCC1=O AC510432 [0,1,0,1,0,0|2,0,0]=4