0 B7R0.6 C=C(Br)CCC(=C)Br SC-87522 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.6 CC(=O)CCN(C)C SC-53808 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.6 CC(=O)NCB(O)O SC-87534 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 CC(=O)OCC(=O)Cl SC-17748 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 CC(=O)OCC(=O)O SC-65254 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.6 CN(C)CCC(=O)O SC-84792 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.6 O=C(O)\C=C\C(=O)O SC-30089 [0,0,0,0,0,0|0,0,2]=2 7 B7R0.6 O=C([O-])CCC(=O)[O-] SC-50216 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.6 O=C([O-])\C=C\C(=O)[O-] SC-80109 [0,0,0,0,0,0|0,0,4]=4 9 B6R0.4 C=C(C)CCCO SC-14313 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.4 C=CCNC(C)=O SC-48071 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.4 C=CNCC(=O)O SC-21370 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.4 CC(=O)OCCO SC-95931 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 N#CCCC(=O)O SC-49854 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.4 N=C(N)CCCO SC-70213 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.4 NC(=O)CCCO SC-12258 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.4 O=C(O)CCCBr SC-02994 [1,0,0,0,0,0|1,0,1]=3 17 B8R0.9 COC(=O)CCC(N)=O SC-88449 [0,1,0,0,0,0|1,0,0]=2 18 B8R0.9 COC(=O)CNC(C)=O SC-66088 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.9 NC(=O)\C=C/C(=O)NO SC-76547 [0,1,0,0,0,0|1,0,2]=4 20 B8R0.9 NCC(=O)CCC(=O)O SC-52394 [0,1,0,0,0,0|1,0,0]=2 21 B8R0.9 NCC(=O)NCC(=O)O SC-17448 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.23 CC(=O)N[C@@H](C)C(=O)O SC-09273 [0,1,0,0,0,0|2,0,0]=3 23 B8R0.23 CC(C)CC(O)C(=O)O SC-25183 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.23 CC(C)C[C@H](Cl)C(=O)O SC-08865 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.23 CN(CC(=O)O)C(=N)N SC-46919 [0,1,0,0,0,0|3,0,0]=4 26 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-05405 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.23 NC(=O)NC(O)C(=O)O SC-49973 [0,1,0,0,0,0|2,0,0]=3 28 B8R0.23 NC(CC(=O)O)C(=O)[O-] SC-20735 [0,1,0,0,0,0|0,0,1]=2 29 B8R0.23 NC(CC(F)F)C(=O)O SC-48857 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-15827 [0,1,0,0,0,0|0,0,1]=2 31 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-19578 [0,1,0,0,0,0|0,0,1]=2 32 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-65201 [0,1,0,0,0,0|0,0,1]=2 33 B8R0.23 O=C(O)CC(O)C(=O)O SC-19305 [0,1,0,0,0,0|0,0,0]=1 34 B8R0.23 O=C(O)CC(O)C(=O)O SC-43909 [0,1,0,0,0,0|0,0,0]=1 35 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O SC-04187 [0,1,0,0,0,0|0,0,0]=1 36 B8R0.23 O=C(O)C[C@H](Br)C(=O)O SC-26843 [0,1,0,0,0,0|0,0,0]=1 37 B8R0.23 [C@@H](C)(OC(C)=O)C(=O)O SC-08840 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.29 CC(F)(F)CCC(=O)O SC-34612 [0,1,0,0,0,0|2,0,1]=4 39 B8R1.3 O=C1CC[C@@H](O)CN1 SC-69872 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.3 O=C1CC[C@H](O)CN1 SC-69873 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.23 CC(=O)N1CC(=O)C1 SC-49225 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SC-70419 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SC-96294 [0,0,0,1,0,0|1,0,1]=3 44 B8R1.23 O=C1CC(C(=O)O)N1 SC-51258 [0,0,0,1,0,0|1,0,0]=2 45 B8R1.23 [C@@H]1(C(=O)O)CC(=O)N1 SC-15020 [0,0,0,1,0,0|1,0,0]=2 46 B8R1.51 O=C1CCS(=O)(=O)C1 SC-47364 [0,0,0,1,0,0|2,0,1]=4 47 B6R0.2 C=C(C)CC(=O)O SC-31698 [0,0,0,0,1,0|2,0,0]=3 48 B6R0.2 CC(=O)CC(C)=O SC-68118 [0,0,0,0,1,0|2,0,0]=3 49 B6R0.2 CC(=O)C[N+](=O)[O-] SC-67566 [0,0,0,0,1,0|2,0,1]=4 50 B6R0.2 CC(=O)NC(N)=O SC-87858 [0,0,0,0,1,0|3,0,0]=4 51 B6R0.2 CC(=O)[CH-]C(C)=O SC-19438 [0,0,0,0,1,0|2,0,1]=4 52 B6R0.2 CC(O)CC(=O)[O-] SC-85388 [0,0,0,0,1,0|1,0,2]=4 53 B6R0.2 CN(C)CC(=O)O SC-09555 [0,0,0,0,1,0|3,0,0]=4 54 B6R0.2 CN(C)CC(=O)O SC-51828 [0,0,0,0,1,0|3,0,0]=4 55 B6R0.2 NC(=O)CC(N)=O SC-47182 [0,0,0,0,1,0|2,0,0]=3 56 B6R0.2 O=C(O)CC(=O)O SC-77641 [0,0,0,0,1,0|0,0,0]=1 57 B6R0.2 [C@@H](C)(N)CC(=O)O SC-26546 [0,0,0,0,1,0|2,0,1]=4 58 B8R0.28 C=C(C)CCCC(=O)O SC-31519 [0,0,0,0,0,1|2,0,0]=3 59 B8R0.28 CC(=O)C\C=C\C(=O)O SC-70039 [0,0,0,0,0,1|1,0,1]=3 60 B8R0.28 N=C(N)NCCC(=O)O SC-46005 [0,0,0,0,0,1|2,0,0]=3 61 B8R0.28 NC(=O)CCCC(N)=O SC-87623 [0,0,0,0,0,1|2,0,0]=3 62 B8R0.28 O=C(O)CCCC(=O)O SC-16305 [0,0,0,0,0,1|0,0,0]=1 63 B8R0.28 O=C(O)CSCC(=O)O SC-19008 [0,0,0,0,0,1|0,0,0]=1 64 B5R0.1 CC(=O)NCO SC-19774 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.1 COCC(=O)O SC-22928 [2,0,0,0,0,0|1,0,1]=4 66 B5R0.1 O=C(O)CCF SC-53145 [2,0,0,0,0,0|1,0,0]=3 67 B5R0.2 C=CCCC=C SC-65418 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.2 C=CCCC=C SC-91437 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.2 O=CNNC=O SC-87631 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.3 COC(=O)CCC#N SC-20469 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.3 COC(=O)CCCBr SC-46963 [1,1,0,0,0,0|1,0,1]=4 72 B7R0.4 C=CCOCC(=O)O SC-35140 [1,1,0,0,0,0|1,0,0]=3 73 B7R0.4 O=C(O)CCCCCl SC-57902 [1,1,0,0,0,0|1,0,1]=4 74 B7R0.5 C#CCC(N)C(=O)O SC-70414 [1,1,0,0,0,0|1,0,1]=4 75 B7R0.5 C=CCC(N)C(=O)O SC-14116 [1,1,0,0,0,0|1,0,0]=3 76 B7R0.5 CCC[C@@H](C)C(=O)O SC-43566 [1,1,0,0,0,0|1,0,1]=4 77 B7R0.5 CCC[C@H](C)C(=O)O SC-67603 [1,1,0,0,0,0|1,0,1]=4 78 B7R0.5 CCC[C@H](O)C(=O)O SC-21948 [1,1,0,0,0,0|1,0,1]=4 79 B7R0.5 COCC(N)C(=O)O SC-43930 [1,1,0,0,0,0|2,0,0]=4 80 B7R0.5 NCCC(O)C(=O)O SC-16245 [1,1,0,0,0,0|1,0,1]=4 81 B7R0.9 O=C(O)CP(=O)(O)O SC-48625 [0,1,0,0,1,0|1,0,0]=3 82 B9R0.1 COC(=O)CSCC(C)=O SC-68739 [0,1,0,0,0,1|1,0,0]=3 83 B9R0.7 C=C(C)CC[C@H](C)C(=O)O SC-31724 [0,1,0,0,0,1|2,0,0]=4 84 B9R0.7 CC(CCC(=O)O)C(=O)O SC-53293 [0,1,0,0,0,1|0,0,0]=2 85 B9R0.7 NC(=O)NC[C@H](N)C(=O)O SC-66318 [0,1,0,0,0,1|1,0,0]=3 86 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SC-49449 [0,1,0,0,0,1|0,0,0]=2 87 B9R0.23 COC(=O)[C@H](N)CC(=O)O SC-65762 [0,2,0,0,0,0|0,0,0]=2 88 B9R0.24 COC(=O)\C=C\C(=O)OC SC-22552 [0,2,0,0,0,0|0,0,2]=4 89 B9R0.43 COC(CCC(=O)O)OC SC-33144 [0,2,0,0,0,0|0,0,2]=4 90 B9R0.79 NC(C(=O)O)C(N)C(=O)O SC-10250 [0,2,0,0,0,0|0,0,0]=2 91 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O SC-10299 [0,2,0,0,0,0|0,0,0]=2 92 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O SC-10301 [0,2,0,0,0,0|0,0,0]=2 93 B9R0.79 O=C(O)C(O)C(O)C(=O)O SC-31926 [0,2,0,0,0,0|0,0,0]=2 94 B9R0.79 O=C(O)C(O)C(O)C(=O)O SC-32131 [0,2,0,0,0,0|0,0,0]=2 95 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O SC-19661 [0,2,0,0,0,0|0,0,0]=2 96 B7R1.2 C[C@@H]1CCC(=O)O1 SC-65777 [1,0,0,1,0,0|1,0,1]=4 97 B7R1.2 C[C@H]1CCC(=O)O1 SC-86851 [1,0,0,1,0,0|1,0,1]=4 98 B7R1.2 O=C1CCC(Cl)O1 SC-69818 [1,0,0,1,0,0|1,0,1]=4 99 B7R1.2 O=C1CNC(=O)N1 SC-46970 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.12 CC1CC1C(=O)O SC-71058 [1,0,0,1,0,0|1,0,1]=4 101 B7R1.18 O=C(O)C1CCN1 SC-53260 [1,0,0,1,0,0|1,0,1]=4 102 B9R1.35 NC1=NC(C(=O)O)CS1 SC-88521 [0,0,0,1,0,1|2,0,0]=4 103 B9R1.35 O=C(O)C1CC(O)CN1 SC-29014 [0,0,0,1,0,1|1,0,1]=4 104 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SC-52573 [0,0,0,1,0,1|1,0,1]=4 105 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CO1 SC-66730 [0,0,0,1,0,1|1,0,1]=4 106 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-52422 [0,0,0,1,0,1|1,0,1]=4 107 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-22199 [0,0,0,1,0,1|1,0,0]=3 108 B9R1.55 C=C1CC(C(=O)O)C1N SC-29613 [0,1,0,1,0,0|2,0,0]=4 109 B5R0.5 CC(=O)C(=O)[O-] SC-25992 [0,0,0,0,2,0|1,0,1]=4 110 B5R0.5 CC(=O)C(=O)[O-] SC-26010 [0,0,0,0,2,0|1,0,1]=4 111 B5R0.5 CC(O)C(=O)O SC-15841 [0,0,0,0,2,0|1,0,1]=4 112 B5R0.5 CC(O)C(=O)O SC-18578 [0,0,0,0,2,0|1,0,1]=4 113 B5R0.5 O=C(O)C(=O)O SC-52693 [0,0,0,0,2,0|0,0,0]=2 114 B5R0.5 O=C(O)C(=O)O SC-96241 [0,0,0,0,2,0|0,0,0]=2 115 B5R0.5 O=C([O-])C(=O)[O-] SC-18446 [0,0,0,0,2,0|0,0,2]=4