0 B7R0.6 CC(=O)CCN(C)C SC-53808 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.6 CC(=O)NCB(O)O SC-87534 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 CC(=O)OCC(=O)Cl SC-17748 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.6 CC(=O)OCC(=O)O SC-65254 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.6 CC(C)CCC(C)O SC-53086 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.6 CN(C)CCC(=N)N SC-40941 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.6 CN(C)CCC(=O)O SC-84792 [0,0,0,0,0,0|1,0,1]=2 7 B7R0.6 O=C(O)\C=C\C(=O)O SC-30089 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.6 O=C([O-])CCC(=O)[O-] SC-50216 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.6 O=C([O-])\C=C\C(=O)[O-] SC-80109 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.4 C=C(C)CCCO SC-14313 [1,0,0,0,0,0|0,0,3]=4 11 B6R0.4 C=CCNC(C)=O SC-48071 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.4 C=CNCC(=O)O SC-21370 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.4 CC(=O)OCCO SC-95931 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 CC(C)=CCCO SC-52391 [1,0,0,0,0,0|0,0,1]=2 15 B6R0.4 CC(C)=NNC=O SC-26098 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.4 CC(C)CCCO SC-67391 [1,0,0,0,0,0|0,0,3]=4 17 B6R0.4 N#CCCC(=O)O SC-49854 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.4 O=C(O)CCCBr SC-02994 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.9 CC(C)CCC(=O)NN SC-59735 [0,1,0,0,0,0|1,0,2]=4 20 B8R0.9 COC(=O)CCC(N)=O SC-88449 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.9 COC(=O)CNC(C)=O SC-66088 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.9 NC(=O)\C=C/C(=O)NO SC-76547 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.9 NCC(=O)CCC(=O)O SC-52394 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.9 NCC(=O)NCC(=O)O SC-17448 [0,1,0,0,0,0|2,0,0]=3 25 B8R0.23 CC(=O)N[C@@H](C)C(=O)O SC-09273 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.23 CC(C)CC(O)C(=O)O SC-25183 [0,1,0,0,0,0|0,0,2]=3 27 B8R0.23 CC(C)C[C@H](Cl)C(=O)O SC-08865 [0,1,0,0,0,0|0,0,2]=3 28 B8R0.23 CN(CC(=O)O)C(=N)N SC-46919 [0,1,0,0,0,0|3,0,0]=4 29 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-05405 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.23 NC(=O)NC(O)C(=O)O SC-49973 [0,1,0,0,0,0|3,0,0]=4 31 B8R0.23 NC(CC(=O)O)C(=O)[O-] SC-20735 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-15827 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-19578 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-65201 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.23 O=C(O)CC(O)C(=O)O SC-19305 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.23 O=C(O)CC(O)C(=O)O SC-43909 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O SC-04187 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.23 O=C(O)C[C@H](Br)C(=O)O SC-26843 [0,1,0,0,0,0|2,0,1]=4 39 B8R0.23 [C@@H](C)(OC(C)=O)C(=O)O SC-08840 [0,1,0,0,0,0|2,0,0]=3 40 B8R0.29 CC(F)(F)CCC(=O)O SC-34612 [0,1,0,0,0,0|1,0,2]=4 41 B8R1.3 CC1CCC(=O)CC1 SC-27685 [0,0,0,1,0,0|1,0,2]=4 42 B8R1.23 CC(=O)N1CC(=O)C1 SC-49225 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SC-70419 [0,0,0,1,0,0|1,0,2]=4 44 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SC-96294 [0,0,0,1,0,0|1,0,2]=4 45 B8R1.23 O=C1CC(C(=O)O)N1 SC-51258 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.23 [C@@H]1(C(=O)O)CC(=O)N1 SC-15020 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.35 O=C(O)\C=C\C1CC1 SC-39438 [0,0,0,1,0,0|0,0,2]=3 48 B8R1.77 [C@H]1(C(N)=O)CC1(C)C SC-06657 [0,0,0,1,0,0|1,0,2]=4 49 B6R0.2 C=C(C)CC(=O)O SC-31698 [0,0,0,0,1,0|0,0,1]=2 50 B6R0.2 CC(=O)CC(C)=O SC-68118 [0,0,0,0,1,0|2,0,0]=3 51 B6R0.2 CC(=O)C[N+](=O)[O-] SC-67566 [0,0,0,0,1,0|2,0,1]=4 52 B6R0.2 CC(=O)NC(N)=O SC-87858 [0,0,0,0,1,0|3,0,0]=4 53 B6R0.2 CC(=O)[CH-]C(C)=O SC-19438 [0,0,0,0,1,0|2,0,1]=4 54 B6R0.2 CC(C)CC(=N)N SC-40541 [0,0,0,0,1,0|2,0,1]=4 55 B6R0.2 CC(O)CC(=O)[O-] SC-85388 [0,0,0,0,1,0|1,0,2]=4 56 B6R0.2 CN(C)CC(=O)O SC-09555 [0,0,0,0,1,0|1,0,0]=2 57 B6R0.2 CN(C)CC(=O)O SC-51828 [0,0,0,0,1,0|1,0,0]=2 58 B6R0.2 CN(C)CC(N)=S SC-62281 [0,0,0,0,1,0|2,1,0]=4 59 B6R0.2 NC(=O)CC(N)=O SC-47182 [0,0,0,0,1,0|3,0,0]=4 60 B6R0.2 O=C(O)CC(=O)O SC-77641 [0,0,0,0,1,0|2,0,0]=3 61 B6R0.2 [C@@H](C)(N)CC(=O)O SC-26546 [0,0,0,0,1,0|1,0,1]=3 62 B8R0.28 C=C(C)CCCC(=O)O SC-31519 [0,0,0,0,0,1|0,0,2]=3 63 B8R0.28 C=C(C)\C=C\OC(C)=O SC-31173 [0,0,0,0,0,1|1,0,2]=4 64 B8R0.28 CC(=O)C\C=C\C(=O)O SC-70039 [0,0,0,0,0,1|1,0,1]=3 65 B8R0.28 N=C(N)NCCC(=O)O SC-46005 [0,0,0,0,0,1|2,0,1]=4 66 B8R0.28 O=C(O)CCCC(=O)O SC-16305 [0,0,0,0,0,1|2,0,1]=4 67 B8R0.28 O=C(O)CSCC(=O)O SC-19008 [0,0,0,0,0,1|2,0,1]=4 68 B5R0.1 C=CCC(C)O SC-49226 [2,0,0,0,0,0|1,0,1]=4 69 B5R0.1 CC(=O)NCO SC-19774 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.1 CC(=O)\C=N\O SC-51367 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.1 CC(C)=CCBr SC-61636 [2,0,0,0,0,0|1,0,0]=3 72 B5R0.1 CNCC(=O)[O-] SC-18610 [2,0,0,0,0,0|1,0,1]=4 73 B5R0.1 COCC(=O)O SC-22928 [2,0,0,0,0,0|1,0,0]=3 74 B5R0.1 COCC(C)=O SC-81373 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.1 CSCC(N)=O SC-27108 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.1 C\C=C\C(=O)Cl SC-24539 [2,0,0,0,0,0|1,0,0]=3 77 B5R0.1 C\C=C\[N+](=O)[O-] SC-65946 [2,0,0,0,0,0|1,0,1]=4 78 B5R0.1 O=C(O)CCF SC-53145 [2,0,0,0,0,0|1,0,1]=4 79 B7R0.2 COC(=O)CC(C)=O SC-65271 [1,1,0,0,0,0|2,0,0]=4 80 B7R0.3 CC\C=C\C(=O)OC SC-62851 [1,1,0,0,0,0|0,0,2]=4 81 B7R0.3 CO\C=C\C(=O)OC SC-62260 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.4 C=CCOCC(=O)O SC-35140 [1,1,0,0,0,0|0,0,2]=4 83 B7R0.4 CCC\C=C\C(=O)O SC-39942 [1,1,0,0,0,0|0,0,2]=4 84 B7R0.4 O=C(O)CCCCCl SC-57902 [1,1,0,0,0,0|0,0,2]=4 85 B7R0.5 C=CCC(N)C(=O)O SC-14116 [1,1,0,0,0,0|0,0,2]=4 86 B7R0.5 CCC[C@@H](C)C(=O)O SC-43566 [1,1,0,0,0,0|0,0,2]=4 87 B7R0.5 CCC[C@H](C)C(=O)O SC-67603 [1,1,0,0,0,0|0,0,2]=4 88 B7R0.5 CCC[C@H](O)C(=O)O SC-21948 [1,1,0,0,0,0|0,0,2]=4 89 B7R0.5 CC\C=C(/C)C(=O)O SC-62297 [1,1,0,0,0,0|0,0,2]=4 90 B7R0.5 COCC(N)C(=O)O SC-43930 [1,1,0,0,0,0|1,0,1]=4 91 B7R0.9 CC(C)(C)CC(=O)O SC-22389 [0,1,0,0,1,0|0,0,1]=3 92 B7R0.9 CC(C)=CS(N)(=O)=O SC-32958 [0,1,0,0,1,0|1,0,1]=4 93 B7R0.9 C[N+](C)(C)CC(=O)O SC-27478 [0,1,0,0,1,0|1,0,0]=3 94 B7R0.16 CC(C)C(O)C(=O)O SC-08874 [0,1,0,0,1,0|0,0,1]=3 95 B7R0.16 CC(N)C(N)C(=O)O SC-10139 [0,1,0,0,1,0|1,0,1]=4 96 B7R0.16 C[C@H](N)[C@H](N)C(=O)O SC-10141 [0,1,0,0,1,0|1,0,1]=4 97 B7R0.16 [C@@H](Cl)(C(=O)O)C(C)C SC-03021 [0,1,0,0,1,0|0,0,1]=3 98 B9R0.1 COC(=O)CSCC(C)=O SC-68739 [0,1,0,0,0,1|1,0,1]=4 99 B9R0.7 C=C(C)CC[C@H](C)C(=O)O SC-31724 [0,1,0,0,0,1|0,0,2]=4 100 B9R0.7 CC(C)OC[C@H](N)C(=O)O SC-68757 [0,1,0,0,0,1|0,0,2]=4 101 B9R0.53 CC(C)OC(=O)CC(=O)O SC-31951 [0,1,0,0,0,1|0,0,1]=3 102 B9R0.56 CC(C)(C)OCCC(=O)O SC-62531 [0,1,0,0,0,1|0,0,2]=4 103 B9R0.21 COC(=O)COC(C)(C)C SC-72826 [0,2,0,0,0,0|1,0,1]=4 104 B9R0.23 CCN(C)C(=O)CC(N)=O SC-46305 [0,2,0,0,0,0|2,0,0]=4 105 B9R0.23 COC(=O)C(N)CC(C)C SC-09664 [0,2,0,0,0,0|0,0,2]=4 106 B9R0.23 COC(=O)[C@H](N)CC(=O)O SC-65762 [0,2,0,0,0,0|1,0,1]=4 107 B9R0.23 COC(=O)[C@H](N)CC(C)C SC-24788 [0,2,0,0,0,0|0,0,2]=4 108 B9R0.24 COC(=O)\C=C\C(=O)OC SC-22552 [0,2,0,0,0,0|1,0,1]=4 109 B9R0.42 COC(=O)CC(=O)C(C)Br SC-A0012 [0,2,0,0,0,0|1,0,1]=4 110 B9R0.43 COC(CCC(=O)O)OC SC-33144 [0,2,0,0,0,0|0,0,2]=4 111 B9R0.48 CC(C)CCC(=O)OCCl SC-69819 [0,2,0,0,0,0|0,0,2]=4 112 B9R0.48 CCOC(=O)CCC(C)C SC-41649 [0,2,0,0,0,0|0,0,2]=4 113 B9R0.11 CC(C)S(=O)(=O)CC(=O)O SC-38688 [0,2,0,0,0,0|1,0,1]=4 114 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O SC-48910 [0,2,0,0,0,0|0,0,2]=4 115 B7R1.2 C[C@@H]1CCC(=O)O1 SC-65777 [1,0,0,1,0,0|0,0,2]=4 116 B7R1.2 C[C@H]1CCC(=O)O1 SC-86851 [1,0,0,1,0,0|0,0,2]=4 117 B7R1.12 CC1CC1C(=O)O SC-71058 [1,0,0,1,0,0|0,0,2]=4 118 B7R1.18 O=C(O)C1CCN1 SC-53260 [1,0,0,1,0,0|1,0,1]=4 119 B9R1.35 CC1=COC(C(=O)O)=N1 SC-69822 [0,0,0,1,0,1|1,0,1]=4 120 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-22199 [0,0,0,1,0,1|1,0,1]=4 121 B9R1.55 C=C1CC(C(=O)O)C1N SC-29613 [0,1,0,1,0,0|0,0,2]=4 122 B9R1.84 O=C(O)\C=C\C1CCC1 SC-14219 [0,1,0,1,0,0|0,0,2]=4 123 B9R1.38 CC1(C)OC(=O)NC1=O SC-06324 [0,1,0,1,0,0|1,0,1]=4 124 B9R1.112 C[C@H](NC1CC1)C(=O)O SC-11115 [0,1,0,1,0,0|1,0,1]=4 125 B9R1.112 N[C@@H](CC1CC1)C(=O)O SC-20866 [0,1,0,1,0,0|0,0,2]=4 126 B5R0.5 CC(=O)C(=O)[O-] SC-25992 [0,0,0,0,2,0|1,0,1]=4 127 B5R0.5 CC(=O)C(=O)[O-] SC-26010 [0,0,0,0,2,0|1,0,1]=4 128 B5R0.5 CC(O)C(=O)O SC-15841 [0,0,0,0,2,0|1,0,1]=4 129 B5R0.5 CC(O)C(=O)O SC-18578 [0,0,0,0,2,0|1,0,1]=4 130 B5R0.5 O=C(O)C(=O)O SC-52693 [0,0,0,0,2,0|2,0,0]=4 131 B5R0.5 O=C(O)C(=O)O SC-96241 [0,0,0,0,2,0|2,0,0]=4 132 B9R0.55 CN(C)CCNCC(=O)O SC-48750 [0,0,0,0,0,2|1,0,1]=4