0 B7R0.6 CC(=O)CCC(=O)O D70802 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.6 CC(=O)CCC(=O)[O-] H10799 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.6 CC(=O)CCC(C)=O D71099 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.6 CC(=O)CNC(C)=O 83215 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 CC(=O)NCC(=O)O AC8343 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.6 CC(=O)NNC(C)=O D87230 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.6 CC(=O)NNC(N)=S F17452 [0,0,0,0,0,0|1,1,2]=4 7 B7R0.6 CC(=O)OCC(=O)Cl S12356 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.6 CC(=O)OCC(=O)O D81772 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.6 CC(=O)SCC(=O)O H12044 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.6 CC(=O)\C=C\C(=O)O D82816 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.6 N=C(N)NCC(=O)O AC2229 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.6 NC(=O)CCC(N)=O H12055 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.6 NC(=O)NCC(=O)O AT23074 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.6 NC(=O)NNC(N)=O D81814 [0,0,0,0,0,0|0,0,2]=2 15 B7R0.6 NC(=O)\C=C/C(=O)O A11397 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.6 NC(=O)\C=C\C(N)=O 11623 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.6 NC(=S)NNC(N)=S D83826 [0,0,0,0,0,0|0,2,2]=4 18 B7R0.6 O=C(Cl)CCC(=O)Cl D95385 [0,0,0,0,0,0|4,0,0]=4 19 B7R0.6 O=C(Cl)\C=C\C(=O)Cl F16579 [0,0,0,0,0,0|4,0,0]=4 20 B7R0.6 O=C(O)C#CC(=O)O F15439 [0,0,0,0,0,0|4,0,0]=4 21 B7R0.6 O=C(O)CCC(=O)O AB7710 [0,0,0,0,0,0|4,0,0]=4 22 B7R0.6 O=C(O)CCC(=O)O D80729 [0,0,0,0,0,0|4,0,0]=4 23 B7R0.6 O=C(O)\C=C\C(=O)O D85166 [0,0,0,0,0,0|4,0,0]=4 24 B7R0.6 O=C([O-])CCC(=O)[O-] S10728 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.6 O=C([O-])\C=C/C(=O)O D91269 [0,0,0,0,0,0|4,0,0]=4 26 B7R0.6 O=C([O-])\C=C\C(=O)[O-] C13410 [0,0,0,0,0,0|4,0,0]=4 27 B7R0.6 O=C([O-])\C=C\C(=O)[O-] S10750 [0,0,0,0,0,0|4,0,0]=4 28 B6R0.4 C=CCOC(N)=O D97550 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.4 NCCNC(N)=O D83060 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.4 O=CNCC(=O)O AC8948 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.9 CNC(=O)\C=C/C(=O)O D91423 [0,1,0,0,0,0|3,0,0]=4 32 B8R0.9 COC(=O)CCC(N)=O D92260 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.9 NCC(=O)CCC(=O)O 22878 [0,1,0,0,0,0|3,0,0]=4 34 B8R0.9 NCC(=O)NCC(=O)O F17229 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.9 NNC(=O)CCC(=O)O D92947 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.23 NC(=O)C[C@H](N)C(=O)O 20146 [0,1,0,0,0,0|3,0,0]=4 37 B8R0.23 NC(=O)C[C@H](N)C(=O)O 68743 [0,1,0,0,0,0|3,0,0]=4 38 B8R0.23 NC(=O)C[C@H](N)C(=O)O D70834 [0,1,0,0,0,0|3,0,0]=4 39 B8R0.23 NC(=O)C[C@H](N)C(=O)O F10838 [0,1,0,0,0,0|3,0,0]=4 40 B8R0.23 NC(=O)C[C@H](N)C(=O)O FD20027 [0,1,0,0,0,0|3,0,0]=4 41 B8R0.23 NC(=O)C[C@H](N)C(N)=O FD21206 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.3 CC1=CC=C(N)N=N1 25686 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.3 CC1=CNC(=O)N=C1 W16753 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.3 NC1=CC=C(N)N=N1 26601 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.3 NC1=CN=C(N)C=C1 28654 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.3 NC1=CN=C(N)N=C1 25291 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.3 NC1=NN=C(Br)C=C1 25014 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.3 NC1=NN=C(Br)C=N1 31924 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.3 NC1=NN=C(Cl)C=C1 51132 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.3 NC1=NN=C(I)C=C1 37607 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.3 O=C1CNC(=O)CN1 F11382 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.3 O=C1N=CC(Br)=CN1 FD9019 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.3 O=C1N=CC(Br)=CN1 P17992 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.23 O=C1C[C@@H](C(=O)O)N1 31388 [0,0,0,1,0,0|3,0,0]=4 55 B6R0.2 CC(=O)NC(=N)N S10069 [0,0,0,0,1,0|2,0,1]=4 56 B6R0.2 CC(=O)NC(C)=O D97387 [0,0,0,0,1,0|2,0,1]=4 57 B6R0.2 CC(=O)NC(N)=O D88216 [0,0,0,0,1,0|1,0,1]=3 58 B6R0.2 CC(=O)NC(N)=S D97730 [0,0,0,0,1,0|1,1,1]=4 59 B6R0.2 CC(=O)SC(C)=O T70772 [0,0,0,0,1,0|3,0,0]=4 60 B6R0.2 CC(=O)[CH-]C(C)=O D78375 [0,0,0,0,1,0|3,0,0]=4 61 B6R0.2 CC(=O)[CH-]C(C)=O D82020 [0,0,0,0,1,0|3,0,0]=4 62 B6R0.2 CC(=O)[CH-]C(C)=O D82093 [0,0,0,0,1,0|3,0,0]=4 63 B6R0.2 CC(=O)[CH-]C(C)=O D82100 [0,0,0,0,1,0|3,0,0]=4 64 B6R0.2 CC(=O)[CH-]C(C)=O D88949 [0,0,0,0,1,0|3,0,0]=4 65 B6R0.2 CC(=O)\C=C(\C)N A11050 [0,0,0,0,1,0|3,0,0]=4 66 B6R0.2 N=C(N)CC(N)=O 88236 [0,0,0,0,1,0|2,0,0]=3 67 B6R0.2 N=C(N)NC(=N)N F20461 [0,0,0,0,1,0|2,0,1]=4 68 B6R0.2 N=C(N)NC(N)=O D97837 [0,0,0,0,1,0|1,0,1]=3 69 B6R0.2 NC(=O)CC(N)=O D77721 [0,0,0,0,1,0|1,0,0]=2 70 B6R0.2 NC(=O)C[N+](=O)[O-] A11114 [0,0,0,0,1,0|3,0,0]=4 71 B6R0.2 NC(=O)NC(N)=O D78197 [0,0,0,0,1,0|0,0,1]=2 72 B6R0.2 NC(=S)NC(N)=S D94742 [0,0,0,0,1,0|0,2,1]=4 73 B6R0.2 O=C(O)CC(=O)O AC8295 [0,0,0,0,1,0|3,0,0]=4 74 B5R0.1 C=NCC(N)=O D97705 [2,0,0,0,0,0|1,0,0]=3 75 B5R0.1 NCCC(N)=O F13534 [2,0,0,0,0,0|1,0,1]=4 76 B5R0.2 O=CNNC=O F14871 [2,0,0,0,0,0|0,0,2]=4 77 B7R0.16 NC(=O)C(N)C(N)=O 23233 [0,1,0,0,1,0|1,0,0]=3 78 B9R0.53 NC(=O)NC(=O)NC(N)=O D97221 [0,1,0,0,0,1|0,0,2]=4 79 B7R1.2 BrC1=NN=C(Br)N1 O10918 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.2 CC1=CN=C(N)N1 C90519 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.2 CC1=NN=C(N)N1 35393 [1,0,0,1,0,0|1,0,0]=3 82 B7R1.2 CC1=NN=C(N)N1 D70754 [1,0,0,1,0,0|1,0,0]=3 83 B7R1.2 CC1=NN=C(N)S1 F13849 [1,0,0,1,0,0|1,1,0]=4 84 B7R1.2 NC1=CC(=O)N=N1 D97375 [1,0,0,1,0,0|1,0,0]=3 85 B7R1.2 NC1=NCC(=O)N1 CS2769 [1,0,0,1,0,0|1,0,0]=3 86 B7R1.2 NC1=NN=C(Br)S1 84350 [1,0,0,1,0,0|1,1,0]=4 87 B7R1.2 NC1=NN=C(Cl)S1 25196 [1,0,0,1,0,0|1,1,0]=4 88 B7R1.2 NC1=NN=C(S)S1 D70884 [1,0,0,1,0,0|0,2,0]=4 89 B7R1.2 NC1=NNC(=O)C1 O10932 [1,0,0,1,0,0|1,0,1]=4 90 B7R1.2 NC1=NNC(N)=N1 F15432 [1,0,0,1,0,0|1,0,1]=4 91 B7R1.2 NC1=NSC(N)=N1 F20081 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.2 O=C1C=CC(=O)N1 29305 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.2 O=C1CNC(=O)N1 D70295 [1,0,0,1,0,0|1,0,1]=4 94 B7R1.2 O=C1CSC(=O)N1 AC7504 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.2 O=C1NNC(=O)N1 D92762 [1,0,0,1,0,0|0,0,2]=4 96 B7R1.3 NC1=CC=CN=N1 51045 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.3 NC1=NC=CN=N1 29300 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.3 O=C1C=NC=CN1 FD9116 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.3 O=C1N=CC=CN1 73268 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.3 O=C1N=CC=CN1 O10847 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.35 NC(=O)C1=NNC(N)=C1 31823 [0,0,0,1,0,1|1,0,1]=4 102 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 S12115 [0,0,0,1,0,1|2,0,0]=4 103 B9R1.69 NC1=C(F)C=NC(=O)N1 25013 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.69 NC1=CNC(=O)NC1=O F16509 [0,1,0,1,0,0|1,0,1]=4 105 B9R1.69 NC1=NNC(=O)NC1=O 52365 [0,1,0,1,0,0|0,0,1]=3 106 B9R1.69 O=C1C=C(Br)C(=O)NN1 11383 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.69 O=C1NN=C(Br)C(=O)N1 52364 [0,1,0,1,0,0|1,0,1]=4 108 B5R0.5 CC(=O)C(=O)[O-] D77796 [0,0,0,0,2,0|2,0,0]=4 109 B5R0.5 CC(=O)C(=O)[O-] D97786 [0,0,0,0,2,0|2,0,0]=4 110 B5R0.5 CC(=O)C(=O)[O-] H10783 [0,0,0,0,2,0|2,0,0]=4 111 B5R0.5 CC(=O)C(=O)[O-] H11289 [0,0,0,0,2,0|2,0,0]=4 112 B5R0.5 CC(=O)C(C)=O W18292 [0,0,0,0,2,0|2,0,0]=4 113 B5R0.5 C[C@H](N)C(N)=O 23091 [0,0,0,0,2,0|1,0,1]=4 114 B5R0.5 C[C@H](N)C(N)=O 30751 [0,0,0,0,2,0|1,0,1]=4 115 B5R0.5 C[C@H](N)C(N)=O 30913 [0,0,0,0,2,0|1,0,1]=4 116 B5R0.5 C[C@H](N)C(N)=O 34538 [0,0,0,0,2,0|1,0,1]=4 117 B5R0.5 NC(=O)C(=O)O A10798 [0,0,0,0,2,0|1,0,0]=3 118 B5R0.5 NC(=O)C(=O)[O-] 78317 [0,0,0,0,2,0|1,0,0]=3 119 B5R0.5 NC(=O)C(=O)[O-] D91824 [0,0,0,0,2,0|1,0,0]=3 120 B5R0.5 NC(=O)C(N)=O D70377 [0,0,0,0,2,0|0,0,0]=2 121 B5R0.5 O=C(O)C(=O)O 35743 [0,0,0,0,2,0|2,0,0]=4 122 B5R0.5 O=C(O)C(=O)O C11246 [0,0,0,0,2,0|2,0,0]=4 123 B5R0.5 O=C([O-])C(=O)[O-] 11920 [0,0,0,0,2,0|2,0,0]=4 124 B5R0.5 O=C([O-])C(=O)[O-] C13296 [0,0,0,0,2,0|2,0,0]=4 125 B9R0.55 NC(=O)CCCCC(N)=O W18552 [0,0,0,0,0,2|2,0,0]=4